#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa5 s VAL 13 N 0.00 0.00 0.14 -2.13 0.11 -1.26 -5.12 120.40 112.14 1wa5 s VAL 13 Ca 0.00 -0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 58.71 1wa5 s VAL 13 Cb 0.00 -0.82 -0.16 0.00 -1.53 0.00 0.00 36.38 33.86 1wa5 s VAL 13 CO 0.00 -0.00 1.14 -0.81 -3.33 0.00 0.00 175.10 172.09 1wa5 n PRO 14 N 2.71 0.95 -0.35 1.54 -0.04 -1.26 -4.80 135.00 133.76 1wa5 n PRO 14 Ca -0.14 0.34 0.22 0.00 -0.04 0.00 0.00 63.50 63.89 1wa5 n PRO 14 Cb 0.56 -1.83 0.46 0.00 -0.04 0.00 0.00 33.50 32.65 1wa5 n PRO 14 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wa5 h GLU 15 N 3.35 0.40 0.00 0.54 5.08 -2.00 0.37 114.58 122.33 1wa5 h GLU 15 Ca -0.44 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1wa5 h GLU 15 Cb 1.36 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1wa5 h GLU 15 CO 0.70 0.26 0.00 2.48 -1.00 0.00 0.00 179.01 181.45 1wa5 n TYR 16 N -4.89 0.00 -0.38 4.33 0.18 -1.26 -1.99 117.16 113.16 1wa5 n TYR 16 Ca 0.29 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.17 1wa5 n TYR 16 Cb 0.92 -0.36 0.27 0.00 -0.38 0.00 0.00 39.34 39.78 1wa5 n TYR 16 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1wa5 n ARG 17 N -1.36 2.95 -3.84 -3.48 1.74 0.13 -4.93 116.66 107.87 1wa5 n ARG 17 Ca 0.08 -2.51 -0.32 0.00 -0.77 0.00 0.00 57.85 54.33 1wa5 n ARG 17 Cb 0.19 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 1wa5 n ARG 17 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wa5 s ARG 18 N -1.22 3.50 0.40 5.56 0.52 -0.84 -4.93 118.95 121.93 1wa5 s ARG 18 Ca 0.41 -0.27 -0.27 0.00 -0.52 0.00 0.00 55.73 55.07 1wa5 s ARG 18 Cb 0.23 -3.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.57 1wa5 s ARG 18 CO 0.25 0.61 1.41 0.99 0.02 0.00 0.00 175.30 178.58 1wa5 s THR 19 N -1.44 2.24 0.00 0.02 2.01 -1.26 -5.05 115.64 112.16 1wa5 s THR 19 Ca 0.32 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1wa5 s THR 19 Cb -0.13 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1wa5 s THR 19 CO 0.22 0.04 0.00 1.21 -0.69 0.00 0.00 174.62 175.41 1wa5 n GLU 31 N 0.22 0.00 0.08 4.92 4.07 -1.26 -4.66 120.64 124.01 1wa5 n GLU 31 Ca 0.03 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.24 1wa5 n GLU 31 Cb 0.41 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.85 1wa5 n GLU 31 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wa5 n LEU 32 N 0.00 0.77 -4.71 4.31 4.77 -1.26 -4.90 117.00 115.98 1wa5 n LEU 32 Ca 0.00 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 1wa5 n LEU 32 Cb 0.00 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1wa5 n LEU 32 CO 0.00 -0.12 1.39 -0.13 -1.33 0.00 0.00 177.39 177.20 1wa5 s ARG 33 N -3.28 4.13 -0.25 3.23 1.81 -1.26 -4.96 118.95 118.36 1wa5 s ARG 33 Ca 0.02 2.60 -0.04 0.00 -1.72 0.00 0.00 55.73 56.60 1wa5 s ARG 33 Cb 0.11 -3.19 0.01 0.00 -0.45 0.00 0.00 34.95 31.44 1wa5 s ARG 33 CO 0.77 -0.77 -0.02 1.03 -0.68 0.00 0.00 175.30 175.63 1wa5 s ARG 34 N 1.51 3.08 0.56 3.54 0.52 -1.26 -5.10 118.95 121.79 1wa5 s ARG 34 Ca 0.76 -0.83 -0.17 0.00 -0.52 0.00 0.00 55.73 54.97 1wa5 s ARG 34 Cb -0.49 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 1wa5 s ARG 34 CO 0.33 -0.34 1.06 0.50 0.02 0.00 0.00 175.30 176.86 1wa5 s ARG 35 N 1.42 3.47 0.07 3.54 3.52 -1.26 -4.87 118.95 124.84 1wa5 s ARG 35 Ca 0.03 1.28 -0.35 0.00 -0.13 0.00 0.00 55.73 56.56 1wa5 s ARG 35 Cb -0.16 -2.05 -0.14 0.00 -1.56 0.00 0.00 34.95 31.04 1wa5 s ARG 35 CO -0.02 -0.69 1.63 -2.13 -0.81 0.00 0.00 175.30 173.28 1wa5 n ARG 36 N -1.66 1.99 -1.67 5.12 0.63 -1.26 -3.57 116.66 116.25 1wa5 n ARG 36 Ca 0.09 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 1wa5 n ARG 36 Cb 0.53 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.94 1wa5 n ARG 36 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1wa5 n ASP 37 N 4.20 0.00 -4.13 6.15 8.00 -1.26 -4.72 116.55 124.79 1wa5 n ASP 37 Ca 0.19 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 1wa5 n ASP 37 Cb 0.27 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1wa5 n ASP 37 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1wa5 n THR 38 N -0.39 4.53 0.00 -3.53 -1.04 -1.23 -4.25 114.28 108.36 1wa5 n THR 38 Ca 0.00 -5.55 0.00 0.00 -2.04 0.00 0.00 64.05 56.46 1wa5 n THR 38 Cb 0.00 -2.34 0.00 0.00 -1.82 0.00 0.00 70.33 66.17 1wa5 n THR 38 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1wa5 n GLN 39 N 1.99 0.00 -3.66 -2.82 7.27 -1.26 -4.97 117.38 113.93 1wa5 n GLN 39 Ca 0.25 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.22 1wa5 n GLN 39 Cb 0.37 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.91 1wa5 n GLN 39 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1wa5 s GLN 40 N 0.00 0.27 -0.17 3.69 0.74 -1.26 -5.05 119.66 117.88 1wa5 s GLN 40 Ca 0.00 0.95 -0.08 0.00 0.05 0.00 0.00 55.36 56.28 1wa5 s GLN 40 Cb 0.00 0.23 0.06 0.00 1.10 0.00 0.00 33.01 34.40 1wa5 s GLN 40 CO 0.00 -0.26 0.39 0.08 -0.55 0.00 0.00 175.29 174.95 1wa5 s VAL 41 N 2.56 -0.11 0.28 1.34 1.01 -1.26 -5.18 120.40 119.04 1wa5 s VAL 41 Ca -0.01 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.19 1wa5 s VAL 41 Cb -0.12 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1wa5 s VAL 41 CO -0.11 0.05 -0.04 -1.61 0.00 0.00 0.00 175.10 173.38 1wa5 s GLU 42 N 1.56 2.13 -0.03 2.72 0.41 -1.26 -5.00 118.70 119.23 1wa5 s GLU 42 Ca -0.08 -1.54 0.03 0.00 -0.41 0.00 0.00 54.97 52.97 1wa5 s GLU 42 Cb -0.09 -2.05 -0.05 0.00 -1.78 0.00 0.00 34.13 30.16 1wa5 s GLU 42 CO -0.12 0.32 0.02 1.28 -0.49 0.00 0.00 175.26 176.28 1wa5 n LEU 43 N -0.85 0.00 -4.77 1.80 4.77 -1.26 -5.03 117.00 111.66 1wa5 n LEU 43 Ca -0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.58 1wa5 n LEU 43 Cb 0.60 0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1wa5 n LEU 43 CO 0.40 0.08 0.78 -0.13 -1.33 0.00 0.00 177.39 177.19 1wa5 s ARG 44 N -2.12 3.17 0.15 3.23 0.52 -1.26 -4.95 118.95 117.69 1wa5 s ARG 44 Ca -0.02 1.60 -0.31 0.00 -0.52 0.00 0.00 55.73 56.48 1wa5 s ARG 44 Cb 0.01 -1.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.41 1wa5 s ARG 44 CO 0.16 -0.99 1.56 0.21 0.02 0.00 0.00 175.30 176.25 1wa5 s LYS 45 N -3.46 4.23 0.11 3.54 2.20 -1.26 -4.91 119.74 120.18 1wa5 s LYS 45 Ca 0.72 2.32 -0.31 0.00 -0.36 0.00 0.00 55.97 58.34 1wa5 s LYS 45 Cb -0.24 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 1wa5 s LYS 45 CO 0.31 -0.60 1.69 0.00 -0.36 0.00 0.00 175.35 176.38 1wa5 s ALA 46 N 1.34 3.74 0.23 3.13 0.00 -1.26 -5.00 121.76 123.93 1wa5 s ALA 46 Ca 0.70 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.97 1wa5 s ALA 46 Cb -0.42 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 18.95 1wa5 s ALA 46 CO 0.31 -1.06 0.43 0.15 0.00 0.00 0.00 175.76 175.58 1wa5 s LYS 47 N 2.30 3.54 -0.70 0.00 1.02 -1.26 -5.06 119.74 119.58 1wa5 s LYS 47 Ca 0.75 -0.29 -0.21 0.00 0.02 0.00 0.00 55.97 56.24 1wa5 s LYS 47 Cb -0.43 -2.80 0.09 0.00 -0.52 0.00 0.00 37.83 34.18 1wa5 s LYS 47 CO 0.33 0.36 0.93 1.03 -0.92 0.00 0.00 175.35 177.08 1wa5 s ARG 48 N -3.43 3.19 -0.36 1.68 0.52 -1.26 -4.87 118.95 114.42 1wa5 s ARG 48 Ca 0.39 -1.15 0.13 0.00 -0.52 0.00 0.00 55.73 54.59 1wa5 s ARG 48 Cb -0.11 -4.37 0.44 0.00 0.52 0.00 0.00 34.95 31.43 1wa5 s ARG 48 CO 0.29 -1.74 0.99 -0.25 0.02 0.00 0.00 175.30 174.62 1wa5 n ASP 49 N 7.13 2.51 -3.63 0.23 8.00 -1.26 -5.06 116.55 124.47 1wa5 n ASP 49 Ca 0.00 -3.06 -0.11 0.00 0.71 0.00 0.00 54.79 52.34 1wa5 n ASP 49 Cb 0.45 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1wa5 n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wa5 s GLU 50 N -3.23 0.60 0.31 -1.24 2.02 -1.26 -5.06 118.70 110.83 1wa5 s GLU 50 Ca 0.35 0.62 -0.28 0.00 0.02 0.00 0.00 54.97 55.67 1wa5 s GLU 50 Cb 0.43 0.29 -0.13 0.00 0.10 0.00 0.00 34.13 34.82 1wa5 s GLU 50 CO -0.04 -0.09 1.20 0.00 0.02 0.00 0.00 175.26 176.35 1wa5 n ALA 51 N 2.12 0.69 -1.60 5.21 0.00 -1.26 -4.90 120.51 120.77 1wa5 n ALA 51 Ca -0.13 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 1wa5 n ALA 51 Cb 0.56 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.86 1wa5 n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wa5 n LEU 52 N 1.09 2.61 0.02 0.00 4.77 -1.26 -4.93 117.00 119.30 1wa5 n LEU 52 Ca 0.07 0.96 -0.18 0.00 -0.03 0.00 0.00 56.01 56.83 1wa5 n LEU 52 Cb 0.34 -1.34 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 1wa5 n LEU 52 CO 0.61 -1.72 0.16 0.00 -1.33 0.00 0.00 177.39 175.12 1wa5 h ALA 53 N 1.21 -0.04 -2.94 -1.18 0.00 -1.90 -3.46 119.26 110.94 1wa5 h ALA 53 Ca -0.45 -0.63 -0.63 0.00 0.00 0.00 0.00 54.91 53.20 1wa5 h ALA 53 Cb 1.35 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1wa5 h ALA 53 CO 0.55 0.30 -0.52 0.15 0.00 0.00 0.00 179.25 179.72 1wa5 s LYS 54 N -2.61 3.30 -0.02 0.00 1.02 -1.26 -4.63 119.74 115.54 1wa5 s LYS 54 Ca -0.14 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1wa5 s LYS 54 Cb 0.01 -2.99 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 1wa5 s LYS 54 CO 0.80 0.63 -0.03 1.03 -0.92 0.00 0.00 175.35 176.86 1wa5 s ARG 55 N -2.17 0.42 -0.01 1.68 0.52 -1.26 -5.10 118.95 113.03 1wa5 s ARG 55 Ca 0.30 -0.10 -0.20 0.00 -0.52 0.00 0.00 55.73 55.21 1wa5 s ARG 55 Cb -0.13 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 1wa5 s ARG 55 CO 0.22 0.02 0.56 0.50 0.02 0.00 0.00 175.30 176.62 1wa5 s ARG 56 N 0.31 4.28 -0.35 3.54 6.06 -1.26 -4.86 118.95 126.66 1wa5 s ARG 56 Ca -0.03 0.68 -0.18 0.00 -2.50 0.00 0.00 55.73 53.70 1wa5 s ARG 56 Cb -0.07 -3.33 -0.00 0.00 0.06 0.00 0.00 34.95 31.61 1wa5 s ARG 56 CO -0.00 0.39 0.49 1.21 -2.50 0.00 0.00 175.30 174.89 1wa5 s ASN 57 N -0.25 6.30 -0.15 -2.12 3.04 -1.26 -5.09 114.94 115.41 1wa5 s ASN 57 Ca 0.30 -0.06 -0.03 0.00 0.04 0.00 0.00 52.86 53.11 1wa5 s ASN 57 Cb -0.18 -2.26 -0.03 0.00 -1.54 0.00 0.00 41.25 37.25 1wa5 s ASN 57 CO 0.16 -0.46 -0.04 -0.36 -3.04 0.00 0.00 177.10 173.36 1wa5 s PHE 58 N 2.34 3.03 0.00 0.43 0.40 -1.26 -4.77 117.98 118.15 1wa5 s PHE 58 Ca 0.18 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1wa5 s PHE 58 Cb -0.16 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1wa5 s PHE 58 CO 0.13 0.01 0.00 0.94 0.70 0.00 0.00 175.22 177.00 1wa5 n GLN 87 N 3.39 0.00 0.07 0.44 -0.06 -1.26 -5.11 117.38 114.84 1wa5 n GLN 87 Ca -0.17 0.00 0.13 0.00 -2.00 0.00 0.00 57.00 54.95 1wa5 n GLN 87 Cb 0.53 0.00 0.36 0.00 -4.06 0.00 0.00 30.24 27.06 1wa5 n GLN 87 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1wa5 n GLU 88 N 0.00 0.21 -0.34 3.69 1.02 -1.26 -4.14 120.64 119.82 1wa5 n GLU 88 Ca 0.00 0.13 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 1wa5 n GLU 88 Cb 0.00 -1.70 0.18 0.00 -0.02 0.00 0.00 31.44 29.89 1wa5 n GLU 88 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wa5 h LEU 89 N 0.00 -0.78 -0.96 -4.62 5.85 -2.03 0.50 115.31 113.27 1wa5 h LEU 89 Ca 0.00 0.29 0.09 0.00 0.84 0.00 0.00 57.88 59.10 1wa5 h LEU 89 Cb 0.69 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1wa5 h LEU 89 CO 0.00 -0.33 0.60 -0.65 -0.34 0.00 0.00 178.44 177.73 1wa5 h PRO 90 N 0.00 1.00 0.09 5.25 0.11 -2.01 0.86 132.00 137.30 1wa5 h PRO 90 Ca 0.50 -0.06 -0.27 0.00 0.11 0.00 0.00 66.00 66.28 1wa5 h PRO 90 Cb 0.85 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.75 1wa5 h PRO 90 CO -0.97 0.66 -1.15 0.37 -0.21 0.00 0.00 178.00 176.70 1wa5 h GLN 91 N 1.03 0.47 0.35 1.05 5.75 -0.50 -3.10 115.11 120.16 1wa5 h GLN 91 Ca 0.45 -0.62 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1wa5 h GLN 91 Cb 0.32 0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1wa5 h GLN 91 CO -0.22 1.25 -0.17 0.52 -2.65 0.00 0.00 178.83 177.57 1wa5 h MET 92 N 0.21 -0.45 -0.09 1.69 2.86 0.12 0.15 114.93 119.42 1wa5 h MET 92 Ca -0.14 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wa5 h MET 92 Cb 1.82 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 33.53 1wa5 h MET 92 CO 0.21 -0.25 -0.50 1.15 1.06 0.00 0.00 176.91 178.58 1wa5 h THR 93 N -0.55 0.00 -0.39 2.22 2.02 -0.94 0.64 112.91 115.92 1wa5 h THR 93 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 1wa5 h THR 93 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1wa5 h THR 93 CO 0.08 0.00 0.26 1.56 0.37 0.00 0.00 175.52 177.79 1wa5 h GLN 94 N -0.56 0.45 0.00 6.66 4.20 -1.54 -1.00 115.11 123.33 1wa5 h GLN 94 Ca 0.02 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1wa5 h GLN 94 Cb 0.63 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1wa5 h GLN 94 CO -0.38 0.30 -0.55 0.37 -0.67 0.00 0.00 178.83 177.90 1wa5 h GLN 95 N 0.46 0.00 -0.16 1.46 4.15 1.00 -2.68 115.11 119.34 1wa5 h GLN 95 Ca 0.15 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.41 1wa5 h GLN 95 Cb 0.05 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.74 1wa5 h GLN 95 CO -0.04 0.55 -0.54 1.25 -1.93 0.00 0.00 178.83 178.12 1wa5 h LEU 96 N 0.00 0.74 0.00 -2.39 5.85 0.15 -2.78 115.31 116.89 1wa5 h LEU 96 Ca -0.01 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1wa5 h LEU 96 Cb 1.01 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wa5 h LEU 96 CO 0.07 1.22 0.00 0.59 -0.34 0.00 0.00 178.44 179.98 1wa5 n ASN 97 N -4.15 0.00 -4.75 1.25 3.02 -0.68 -4.71 115.26 105.24 1wa5 n ASN 97 Ca -0.07 -0.67 -0.37 0.00 -0.03 0.00 0.00 54.58 53.44 1wa5 n ASN 97 Cb 0.62 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.83 1wa5 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wa5 s SER 98 N -1.97 5.16 0.00 6.41 0.15 -1.02 -4.91 113.70 117.52 1wa5 s SER 98 Ca 0.29 2.57 0.27 0.00 0.70 0.00 0.00 55.95 59.79 1wa5 s SER 98 Cb 0.13 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.76 1wa5 s SER 98 CO 0.23 -1.63 1.70 -0.90 1.20 0.00 0.00 173.24 173.84 1wa5 n ASP 99 N -1.37 0.36 -4.59 5.45 5.68 -1.26 -4.73 116.55 116.09 1wa5 n ASP 99 Ca 0.12 -0.12 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 1wa5 n ASP 99 Cb 0.47 -0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 40.31 1wa5 n ASP 99 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wa5 s ASP 100 N -2.85 6.45 0.00 -1.12 2.15 -1.26 -4.93 116.67 115.12 1wa5 s ASP 100 Ca 0.17 0.32 0.07 0.00 0.43 0.00 0.00 52.55 53.53 1wa5 s ASP 100 Cb 0.19 -2.32 0.35 0.00 -0.30 0.00 0.00 42.92 40.84 1wa5 s ASP 100 CO 0.58 -0.49 1.03 1.15 -0.17 0.00 0.00 175.17 177.27 1wa5 n MET 101 N 5.88 0.12 0.04 4.34 0.00 -1.26 -1.29 117.12 124.95 1wa5 n MET 101 Ca -0.02 0.18 -0.19 0.00 0.00 0.00 0.00 57.70 57.67 1wa5 n MET 101 Cb 0.49 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 32.06 1wa5 n MET 101 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 1wa5 h GLN 102 N 0.00 0.27 0.00 3.17 5.75 -1.96 -1.89 115.11 120.46 1wa5 h GLN 102 Ca 0.00 -0.46 -0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1wa5 h GLN 102 Cb 0.05 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1wa5 h GLN 102 CO 0.00 1.21 -0.01 0.93 -2.65 0.00 0.00 178.83 178.31 1wa5 h GLU 103 N -0.43 0.00 0.25 1.69 4.39 -1.52 -0.83 114.58 118.13 1wa5 h GLU 103 Ca -0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1wa5 h GLU 103 Cb 1.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1wa5 h GLU 103 CO 0.14 0.01 -0.12 1.96 -1.16 0.00 0.00 179.01 179.83 1wa5 h GLN 104 N 0.00 -0.33 -0.59 2.33 4.20 -1.18 -0.56 115.11 118.99 1wa5 h GLN 104 Ca -0.00 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1wa5 h GLN 104 Cb 0.83 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1wa5 h GLN 104 CO 0.00 0.03 0.11 1.25 -0.67 0.00 0.00 178.83 179.56 1wa5 h LEU 105 N -0.89 0.91 0.12 1.46 5.85 -1.35 0.24 115.31 121.65 1wa5 h LEU 105 Ca -0.03 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1wa5 h LEU 105 Cb 0.51 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1wa5 h LEU 105 CO 0.06 0.93 -0.22 0.28 -0.34 0.00 0.00 178.44 179.14 1wa5 h SER 106 N 0.86 -0.62 -0.30 1.25 0.02 -1.20 0.42 113.55 113.98 1wa5 h SER 106 Ca 0.18 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1wa5 h SER 106 Cb 0.39 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1wa5 h SER 106 CO 0.01 -0.31 0.11 0.00 -1.14 0.00 0.00 176.83 175.50 1wa5 h ALA 107 N 0.36 0.38 -0.86 3.77 0.00 -0.97 -2.66 119.26 119.29 1wa5 h ALA 107 Ca 0.03 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wa5 h ALA 107 Cb 0.44 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1wa5 h ALA 107 CO -0.12 -0.01 0.56 1.15 0.00 0.00 0.00 179.25 180.83 1wa5 h THR 108 N 0.32 1.09 -0.28 0.00 2.02 -0.24 -0.66 112.91 115.16 1wa5 h THR 108 Ca 0.10 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 1wa5 h THR 108 Cb 0.20 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1wa5 h THR 108 CO -0.01 0.18 -0.19 0.58 0.37 0.00 0.00 175.52 176.45 1wa5 h VAL 109 N 1.01 1.25 -0.12 3.16 2.07 -0.76 -2.71 116.25 120.15 1wa5 h VAL 109 Ca 0.36 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 1wa5 h VAL 109 Cb 0.13 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1wa5 h VAL 109 CO -0.12 0.38 -0.30 0.11 0.02 0.00 0.00 177.57 177.66 1wa5 h LYS 110 N 0.47 0.42 -0.44 1.57 1.57 -0.82 -2.50 116.57 116.83 1wa5 h LYS 110 Ca 0.08 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1wa5 h LYS 110 Cb 0.60 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1wa5 h LYS 110 CO 0.04 0.90 0.29 0.74 -0.57 0.00 0.00 179.45 180.85 1wa5 h PHE 111 N 0.00 0.47 -0.13 -1.35 -1.00 -1.19 -1.64 116.94 112.09 1wa5 h PHE 111 Ca -0.00 0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.62 1wa5 h PHE 111 Cb 0.90 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 1wa5 h PHE 111 CO 0.11 0.27 -0.63 -0.09 -1.61 0.00 0.00 178.31 176.36 1wa5 h ARG 112 N 0.49 0.49 -0.05 1.51 1.12 -1.44 -2.67 114.38 113.82 1wa5 h ARG 112 Ca 0.18 -0.35 -0.01 0.00 -1.11 0.00 0.00 59.98 58.69 1wa5 h ARG 112 Cb 0.11 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.12 1wa5 h ARG 112 CO -0.04 0.96 0.00 1.96 -3.11 0.00 0.00 179.97 179.74 1wa5 h GLN 113 N 0.36 0.09 0.00 0.20 4.20 -0.85 -2.97 115.11 116.14 1wa5 h GLN 113 Ca -0.01 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1wa5 h GLN 113 Cb 1.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1wa5 h GLN 113 CO 0.11 0.36 -0.24 -0.84 -0.67 0.00 0.00 178.83 177.55 1wa5 h ILE 114 N -0.19 1.08 -0.04 2.54 3.07 -1.47 -1.96 117.51 120.55 1wa5 h ILE 114 Ca 0.02 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.56 1wa5 h ILE 114 Cb 0.32 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 1wa5 h ILE 114 CO 0.00 0.24 0.00 0.18 -1.05 0.00 0.00 178.15 177.52 1wa5 n LEU 115 N -4.11 0.32 -3.96 0.16 4.77 -1.01 -4.39 117.00 108.79 1wa5 n LEU 115 Ca -0.02 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 1wa5 n LEU 115 Cb 0.31 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1wa5 n LEU 115 CO 0.36 0.07 1.05 -1.20 -1.33 0.00 0.00 177.39 176.34 1wa5 n SER 116 N -0.53 6.22 -4.04 -1.43 7.64 -0.74 -4.83 113.62 115.92 1wa5 n SER 116 Ca 0.12 -3.41 -0.13 0.00 1.01 0.00 0.00 58.87 56.46 1wa5 n SER 116 Cb 0.10 -1.23 -0.12 0.00 -1.01 0.00 0.00 64.21 61.96 1wa5 n SER 116 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wa5 s ARG 117 N -2.76 0.48 -0.18 1.43 3.52 -1.26 -4.98 118.95 115.21 1wa5 s ARG 117 Ca 0.32 -0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 55.11 1wa5 s ARG 117 Cb 0.05 -0.26 -0.22 0.00 -1.56 0.00 0.00 34.95 32.97 1wa5 s ARG 117 CO 0.10 0.05 0.25 -1.91 -0.81 0.00 0.00 175.30 172.98 1wa5 n GLU 118 N 1.71 0.65 -3.38 5.12 4.07 -1.26 -4.64 120.64 122.91 1wa5 n GLU 118 Ca -0.21 0.43 -0.38 0.00 -0.06 0.00 0.00 57.16 56.94 1wa5 n GLU 118 Cb 0.55 -1.72 -0.07 0.00 -0.06 0.00 0.00 31.44 30.14 1wa5 n GLU 118 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1wa5 s HIS 119 N -2.45 3.44 -0.42 4.31 2.46 -1.26 -4.67 115.29 116.71 1wa5 s HIS 119 Ca -0.27 0.73 -0.15 0.00 0.47 0.00 0.00 55.06 55.84 1wa5 s HIS 119 Cb 0.07 -2.51 0.02 0.00 -0.13 0.00 0.00 32.58 30.03 1wa5 s HIS 119 CO 0.66 0.10 0.43 2.89 -2.47 0.00 0.00 174.74 176.35 1wa5 n ARG 120 N 4.02 -1.20 -1.73 2.88 1.85 -1.26 -4.93 116.66 116.30 1wa5 n ARG 120 Ca -0.08 0.76 -0.32 0.00 -1.00 0.00 0.00 57.85 57.21 1wa5 n ARG 120 Cb 0.51 -1.42 0.04 0.00 -1.05 0.00 0.00 32.46 30.54 1wa5 n ARG 120 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1wa5 s PRO 121 N -2.73 3.00 0.00 2.89 0.02 -1.26 -4.94 135.00 131.97 1wa5 s PRO 121 Ca 0.15 1.10 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1wa5 s PRO 121 Cb -0.01 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1wa5 s PRO 121 CO 0.60 -1.06 1.51 -2.30 -0.33 0.00 0.00 177.00 175.43 1wa5 n PRO 122 N -2.71 0.92 0.05 5.54 -0.02 -1.26 -4.60 135.00 132.91 1wa5 n PRO 122 Ca 0.08 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 1wa5 n PRO 122 Cb 0.53 -1.04 -0.01 0.00 -0.02 0.00 0.00 33.50 32.96 1wa5 n PRO 122 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1wa5 h ILE 123 N 0.74 0.00 -0.98 4.25 2.04 -1.93 -2.59 117.51 119.03 1wa5 h ILE 123 Ca 0.00 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.18 1wa5 h ILE 123 Cb 0.92 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.84 1wa5 h ILE 123 CO 0.00 0.00 0.49 -0.78 0.00 0.00 0.00 178.15 177.86 1wa5 h ASP 124 N -0.13 0.37 -0.37 1.72 1.82 -1.97 0.24 116.42 118.10 1wa5 h ASP 124 Ca -0.01 0.21 -0.13 0.00 -0.39 0.00 0.00 57.03 56.70 1wa5 h ASP 124 Cb 0.10 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 1wa5 h ASP 124 CO 0.02 -0.20 -0.26 1.62 -1.61 0.00 0.00 179.24 178.81 1wa5 h VAL 125 N 0.24 1.27 -0.54 2.25 3.04 -1.91 0.08 116.25 120.67 1wa5 h VAL 125 Ca 0.72 -1.41 -0.06 0.00 -1.01 0.00 0.00 66.70 64.94 1wa5 h VAL 125 Cb 1.67 1.22 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 1wa5 h VAL 125 CO -0.65 0.48 0.09 0.58 -1.01 0.00 0.00 177.57 177.05 1wa5 h VAL 126 N 0.75 1.24 0.19 1.51 2.07 -0.18 -2.39 116.25 119.44 1wa5 h VAL 126 Ca 0.09 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1wa5 h VAL 126 Cb 0.81 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1wa5 h VAL 126 CO 0.07 0.33 -0.09 0.40 0.02 0.00 0.00 177.57 178.30 1wa5 h ILE 127 N 0.82 0.89 0.00 4.57 2.04 -0.81 -2.27 117.51 122.75 1wa5 h ILE 127 Ca 0.17 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1wa5 h ILE 127 Cb 0.36 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1wa5 h ILE 127 CO 0.01 0.10 0.12 0.00 0.00 0.00 0.00 178.15 178.37 1wa5 n GLN 128 N -5.10 0.12 0.00 2.37 1.13 -0.02 0.98 117.38 116.86 1wa5 n GLN 128 Ca -0.09 0.61 0.13 0.00 -1.94 0.00 0.00 57.00 55.71 1wa5 n GLN 128 Cb 0.20 -2.02 0.60 0.00 0.11 0.00 0.00 30.24 29.13 1wa5 n GLN 128 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wa5 n ALA 129 N -1.70 2.25 -1.45 -1.58 0.00 -0.85 -4.91 120.51 112.27 1wa5 n ALA 129 Ca -0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1wa5 n ALA 129 Cb 0.14 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 1wa5 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa5 n GLY 130 N 1.20 1.56 0.53 0.00 0.00 0.27 -4.89 105.19 103.86 1wa5 n GLY 130 Ca 0.08 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1wa5 n GLY 130 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wa5 n VAL 131 N -2.55 0.00 -0.13 1.61 0.24 -1.26 -4.43 118.33 111.81 1wa5 n VAL 131 Ca -0.15 -0.28 -0.04 0.00 -2.04 0.00 0.00 64.34 61.83 1wa5 n VAL 131 Cb 0.51 0.71 0.04 0.00 -1.47 0.00 0.00 33.84 33.63 1wa5 n VAL 131 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1wa5 h VAL 132 N 2.60 0.73 -0.81 3.34 2.07 -1.85 -1.56 116.25 120.78 1wa5 h VAL 132 Ca 0.00 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1wa5 h VAL 132 Cb 0.61 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1wa5 h VAL 132 CO 0.00 0.03 0.54 -0.65 0.02 0.00 0.00 177.57 177.51 1wa5 h PRO 133 N 0.18 1.07 -0.37 1.57 0.11 -1.94 -1.50 132.00 131.12 1wa5 h PRO 133 Ca 0.22 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1wa5 h PRO 133 Cb 0.29 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1wa5 h PRO 133 CO -0.31 0.71 0.18 -0.09 -0.21 0.00 0.00 178.00 178.27 1wa5 h ARG 134 N 1.10 0.53 -0.53 1.05 9.65 -1.65 0.12 114.38 124.65 1wa5 h ARG 134 Ca 0.30 -0.08 0.06 0.00 -1.10 0.00 0.00 59.98 59.16 1wa5 h ARG 134 Cb -0.13 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.31 1wa5 h ARG 134 CO -0.06 0.48 0.24 -0.07 2.80 0.00 0.00 179.97 183.35 1wa5 h LEU 135 N 0.46 0.31 -0.48 3.80 3.38 -0.75 -0.38 115.31 121.65 1wa5 h LEU 135 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1wa5 h LEU 135 Cb 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1wa5 h LEU 135 CO -0.02 0.21 0.24 0.58 0.09 0.00 0.00 178.44 179.54 1wa5 h VAL 136 N 0.46 1.18 -0.50 1.22 2.07 -0.90 -1.85 116.25 117.93 1wa5 h VAL 136 Ca 0.24 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1wa5 h VAL 136 Cb 0.20 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1wa5 h VAL 136 CO -0.20 0.20 0.34 -0.08 0.02 0.00 0.00 177.57 177.84 1wa5 h GLU 137 N 0.63 0.42 0.00 1.57 4.81 0.17 0.12 114.58 122.29 1wa5 h GLU 137 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1wa5 h GLU 137 Cb 0.10 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1wa5 h GLU 137 CO -0.02 0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.72 1wa5 n PHE 138 N -4.47 0.09 1.22 0.92 3.72 -0.24 -2.24 117.46 116.46 1wa5 n PHE 138 Ca 0.07 0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 1wa5 n PHE 138 Cb 0.26 -0.56 0.29 0.00 -0.94 0.00 0.00 39.48 38.53 1wa5 n PHE 138 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1wa5 n MET 139 N -1.58 1.43 -1.69 -1.08 2.81 0.03 -3.79 117.12 113.25 1wa5 n MET 139 Ca 0.03 -1.00 -0.37 0.00 -1.81 0.00 0.00 57.70 54.54 1wa5 n MET 139 Cb 0.16 -1.48 0.06 0.00 -0.71 0.00 0.00 33.22 31.25 1wa5 n MET 139 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1wa5 n ARG 140 N 0.09 1.10 0.15 0.03 1.74 -0.95 -4.87 116.66 113.95 1wa5 n ARG 140 Ca 0.14 0.43 0.19 0.00 -0.77 0.00 0.00 57.85 57.83 1wa5 n ARG 140 Cb 0.42 -2.40 0.71 0.00 -1.02 0.00 0.00 32.46 30.17 1wa5 n ARG 140 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1wa5 h GLU 141 N 0.61 0.00 -0.74 5.56 4.81 -1.93 -1.61 114.58 121.29 1wa5 h GLU 141 Ca -0.50 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.47 1wa5 h GLU 141 Cb 1.34 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.57 1wa5 h GLU 141 CO 0.53 0.00 0.30 0.27 -0.73 0.00 0.00 179.01 179.38 1wa5 n ASN 142 N -3.40 4.43 -4.91 1.04 0.23 -1.26 -4.97 115.26 106.42 1wa5 n ASN 142 Ca 0.06 -3.33 -0.22 0.00 -0.53 0.00 0.00 54.58 50.56 1wa5 n ASN 142 Cb 0.64 -0.75 -0.03 0.00 -2.08 0.00 0.00 39.78 37.56 1wa5 n ASN 142 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1wa5 s GLN 143 N -3.07 3.24 0.51 -3.83 -1.52 -0.61 -5.08 119.66 109.32 1wa5 s GLN 143 Ca 0.54 -0.84 -0.22 0.00 -1.95 0.00 0.00 55.36 52.89 1wa5 s GLN 143 Cb 0.44 -2.78 -0.06 0.00 -0.22 0.00 0.00 33.01 30.39 1wa5 s GLN 143 CO 0.12 0.43 1.30 -2.14 -0.25 0.00 0.00 175.29 174.75 1wa5 s PRO 144 N -3.79 3.36 0.19 2.91 0.02 -1.26 -4.84 135.00 131.58 1wa5 s PRO 144 Ca 0.33 2.09 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 1wa5 s PRO 144 Cb -0.09 -2.32 0.17 0.00 0.02 0.00 0.00 34.50 32.28 1wa5 s PRO 144 CO 0.27 -0.97 1.78 1.49 -0.33 0.00 0.00 177.00 179.24 1wa5 h GLU 145 N 1.68 0.48 -0.22 5.54 4.81 -1.97 -0.95 114.58 123.94 1wa5 h GLU 145 Ca -0.50 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.62 1wa5 h GLU 145 Cb 1.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1wa5 h GLU 145 CO 0.58 0.32 -0.22 1.98 -0.73 0.00 0.00 179.01 180.94 1wa5 h MET 146 N 0.49 0.39 -0.36 1.92 4.05 -1.99 -1.28 114.93 118.16 1wa5 h MET 146 Ca 0.24 -0.13 -0.15 0.00 -0.28 0.00 0.00 59.70 59.38 1wa5 h MET 146 Cb 0.18 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1wa5 h MET 146 CO -0.19 0.59 -0.37 1.25 0.23 0.00 0.00 176.91 178.43 1wa5 h LEU 147 N 0.36 0.94 -0.30 3.39 5.85 -1.80 -2.17 115.31 121.57 1wa5 h LEU 147 Ca 0.06 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1wa5 h LEU 147 Cb 0.58 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1wa5 h LEU 147 CO 0.04 1.22 0.17 1.56 -0.34 0.00 0.00 178.44 181.08 1wa5 h GLN 148 N 0.68 0.43 -0.04 1.25 4.20 -0.89 -1.71 115.11 119.02 1wa5 h GLN 148 Ca 0.06 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1wa5 h GLN 148 Cb 0.96 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.60 1wa5 h GLN 148 CO 0.09 0.36 -0.29 1.25 -0.67 0.00 0.00 178.83 179.58 1wa5 h LEU 149 N 0.37 -0.86 -0.62 1.46 5.85 -1.13 0.38 115.31 120.77 1wa5 h LEU 149 Ca 0.11 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1wa5 h LEU 149 Cb 0.06 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1wa5 h LEU 149 CO -0.02 -0.34 0.29 -0.33 -0.34 0.00 0.00 178.44 177.70 1wa5 h GLU 150 N -0.41 0.89 -0.33 1.25 4.39 -1.32 -1.40 114.58 117.66 1wa5 h GLU 150 Ca 0.07 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1wa5 h GLU 150 Cb 0.51 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1wa5 h GLU 150 CO -0.27 0.72 0.12 0.00 -1.16 0.00 0.00 179.01 178.42 1wa5 h ALA 151 N 1.12 0.43 -0.56 3.43 0.00 -1.08 -1.68 119.26 120.92 1wa5 h ALA 151 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1wa5 h ALA 151 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wa5 h ALA 151 CO -0.03 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.41 1wa5 h ALA 152 N 0.96 1.20 -0.16 0.00 0.00 -0.76 -1.11 119.26 119.39 1wa5 h ALA 152 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1wa5 h ALA 152 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wa5 h ALA 152 CO -0.01 0.55 0.05 2.35 0.00 0.00 0.00 179.25 182.19 1wa5 h TRP 153 N 0.83 0.26 -0.24 0.00 2.91 -1.03 -0.52 115.95 118.15 1wa5 h TRP 153 Ca 0.18 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 1wa5 h TRP 153 Cb 0.29 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 1wa5 h TRP 153 CO 0.02 0.37 0.14 0.00 -1.03 0.00 0.00 178.44 177.94 1wa5 h ALA 154 N 0.86 0.30 -0.63 2.65 0.00 -1.06 -2.34 119.26 119.05 1wa5 h ALA 154 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wa5 h ALA 154 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1wa5 h ALA 154 CO -0.00 -0.19 0.35 -0.07 0.00 0.00 0.00 179.25 179.34 1wa5 h LEU 155 N 0.29 0.76 -0.83 0.00 3.38 -1.14 -1.98 115.31 115.80 1wa5 h LEU 155 Ca 0.08 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1wa5 h LEU 155 Cb 0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1wa5 h LEU 155 CO -0.02 0.61 0.53 0.74 0.09 0.00 0.00 178.44 180.39 1wa5 h THR 156 N 0.87 1.11 0.00 0.22 2.02 -0.57 -1.61 112.91 114.95 1wa5 h THR 156 Ca 0.22 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1wa5 h THR 156 Cb 0.01 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1wa5 h THR 156 CO -0.04 0.18 -0.40 0.78 0.37 0.00 0.00 175.52 176.42 1wa5 h ASN 157 N 1.01 0.00 -0.09 4.18 2.35 -0.96 -2.28 115.58 119.79 1wa5 h ASN 157 Ca 0.34 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.01 1wa5 h ASN 157 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1wa5 h ASN 157 CO -0.13 0.40 -0.26 0.40 -1.65 0.00 0.00 177.43 176.19 1wa5 h ILE 158 N 0.00 1.40 0.00 2.81 2.04 -0.86 -2.64 117.51 120.26 1wa5 h ILE 158 Ca -0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 1wa5 h ILE 158 Cb 1.16 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1wa5 h ILE 158 CO 0.05 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.66 1wa5 n ALA 159 N -2.48 1.98 0.53 1.87 0.00 -0.65 -2.34 120.51 119.42 1wa5 n ALA 159 Ca -0.08 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.41 1wa5 n ALA 159 Cb 0.46 -1.29 0.41 0.00 0.00 0.00 0.00 19.45 19.03 1wa5 n ALA 159 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wa5 h SER 160 N 0.00 0.00 0.00 0.00 0.87 -1.02 -3.42 113.55 109.98 1wa5 h SER 160 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wa5 h SER 160 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1wa5 h SER 160 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1wa5 n GLY 161 N 0.96 1.55 3.60 5.77 0.00 -0.99 -4.76 105.19 111.31 1wa5 n GLY 161 Ca 0.04 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1wa5 n GLY 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wa5 s THR 162 N 2.85 2.02 0.50 2.61 -4.23 -1.26 -4.71 115.64 113.41 1wa5 s THR 162 Ca 0.00 0.01 0.16 0.00 -1.18 0.00 0.00 61.69 60.67 1wa5 s THR 162 Cb 0.00 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 72.06 1wa5 s THR 162 CO 0.00 -0.01 2.10 0.28 -0.54 0.00 0.00 174.62 176.45 1wa5 h SER 163 N -2.21 0.00 -0.58 3.99 0.02 -1.95 -0.71 113.55 112.12 1wa5 h SER 163 Ca -0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 1wa5 h SER 163 Cb 1.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 1wa5 h SER 163 CO 0.44 0.06 0.26 0.00 -1.14 0.00 0.00 176.83 176.45 1wa5 h ALA 164 N 1.94 0.74 -0.19 3.77 0.00 -1.99 0.12 119.26 123.66 1wa5 h ALA 164 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 1wa5 h ALA 164 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wa5 h ALA 164 CO 0.01 0.33 -0.60 1.96 0.00 0.00 0.00 179.25 180.95 1wa5 h GLN 165 N 0.79 0.64 -0.25 0.00 4.20 -1.55 -2.80 115.11 116.13 1wa5 h GLN 165 Ca 0.20 -0.43 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1wa5 h GLN 165 Cb 0.16 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1wa5 h GLN 165 CO -0.02 1.05 -0.23 1.15 -0.67 0.00 0.00 178.83 180.11 1wa5 h THR 166 N 0.47 1.26 -0.50 -0.54 2.02 -0.94 -2.81 112.91 111.87 1wa5 h THR 166 Ca -0.00 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 1wa5 h THR 166 Cb 1.18 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1wa5 h THR 166 CO 0.12 0.39 0.31 0.50 0.37 0.00 0.00 175.52 177.21 1wa5 h LYS 167 N 0.42 0.68 -0.32 6.66 3.64 -0.56 -1.26 116.57 125.83 1wa5 h LYS 167 Ca 0.06 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1wa5 h LYS 167 Cb 0.64 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.23 1wa5 h LYS 167 CO 0.05 0.49 -0.25 0.28 -2.27 0.00 0.00 179.45 177.74 1wa5 h VAL 168 N 0.68 0.35 -0.21 2.00 2.07 -1.24 0.40 116.25 120.30 1wa5 h VAL 168 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1wa5 h VAL 168 Cb -0.02 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1wa5 h VAL 168 CO -0.03 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.25 1wa5 h VAL 169 N -0.22 1.11 -0.36 2.57 2.07 -1.45 -1.74 116.25 118.23 1wa5 h VAL 169 Ca 0.16 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1wa5 h VAL 169 Cb 0.48 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1wa5 h VAL 169 CO -0.45 0.10 0.20 0.58 0.02 0.00 0.00 177.57 178.03 1wa5 h VAL 170 N 0.24 1.13 0.00 2.57 2.07 -0.59 -1.67 116.25 120.00 1wa5 h VAL 170 Ca 0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1wa5 h VAL 170 Cb 0.06 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1wa5 h VAL 170 CO -0.01 0.14 0.00 0.44 0.02 0.00 0.00 177.57 178.15 1wa5 h ASP 171 N 0.46 0.00 -0.01 0.57 3.32 -0.09 -1.44 116.42 119.23 1wa5 h ASP 171 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1wa5 h ASP 171 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1wa5 h ASP 171 CO -0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 1wa5 n ALA 172 N -1.87 2.60 -2.74 3.45 0.00 -0.63 -4.88 120.51 116.44 1wa5 n ALA 172 Ca 0.01 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1wa5 n ALA 172 Cb 0.21 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.40 1wa5 n ALA 172 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wa5 n ASP 173 N -0.69 -4.92 0.04 0.00 8.00 -0.54 -4.94 116.55 113.49 1wa5 n ASP 173 Ca 0.14 -0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.31 1wa5 n ASP 173 Cb 0.09 -3.82 -0.05 0.00 -0.02 0.00 0.00 41.12 37.32 1wa5 n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wa5 h ALA 174 N 0.74 0.35 -0.27 2.24 0.00 -1.70 -3.38 119.26 117.25 1wa5 h ALA 174 Ca -0.39 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 53.92 1wa5 h ALA 174 Cb 1.27 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1wa5 h ALA 174 CO 0.43 0.75 -0.17 0.28 0.00 0.00 0.00 179.25 180.54 1wa5 h VAL 175 N 0.34 0.52 -0.39 0.00 2.07 -1.85 -0.40 116.25 116.54 1wa5 h VAL 175 Ca -0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1wa5 h VAL 175 Cb 1.52 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1wa5 h VAL 175 CO 0.16 0.00 0.29 1.55 0.02 0.00 0.00 177.57 179.60 1wa5 h PRO 176 N -0.14 0.00 -0.02 1.57 0.13 -1.95 -1.07 132.00 130.52 1wa5 h PRO 176 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1wa5 h PRO 176 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1wa5 h PRO 176 CO -0.36 0.00 -0.19 -0.07 -0.23 0.00 0.00 178.00 177.15 1wa5 h LEU 177 N 0.00 0.21 -0.50 1.56 3.38 -1.31 -2.34 115.31 116.30 1wa5 h LEU 177 Ca 0.18 -0.71 0.10 0.00 0.09 0.00 0.00 57.88 57.55 1wa5 h LEU 177 Cb 0.77 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 1wa5 h LEU 177 CO -0.00 0.88 -0.16 -0.26 0.09 0.00 0.00 178.44 178.99 1wa5 h PHE 178 N -0.45 -0.36 -0.59 1.13 0.05 -0.53 0.76 116.94 116.95 1wa5 h PHE 178 Ca -0.02 0.05 0.09 0.00 3.82 0.00 0.00 57.97 61.91 1wa5 h PHE 178 Cb 0.89 0.24 -0.07 0.00 2.00 0.00 0.00 35.95 39.01 1wa5 h PHE 178 CO 0.16 -0.25 0.23 0.82 -0.18 0.00 0.00 178.31 179.09 1wa5 h ILE 179 N -0.04 0.79 -0.40 -0.55 2.04 -1.19 -1.55 117.51 116.62 1wa5 h ILE 179 Ca 0.24 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 1wa5 h ILE 179 Cb 0.41 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1wa5 h ILE 179 CO -0.54 0.08 -0.15 0.06 0.00 0.00 0.00 178.15 177.60 1wa5 h GLN 180 N 0.41 0.74 0.00 2.37 3.07 -0.56 -1.70 115.11 119.45 1wa5 h GLN 180 Ca 0.29 -0.26 -0.00 0.00 0.09 0.00 0.00 58.65 58.77 1wa5 h GLN 180 Cb 0.34 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.85 1wa5 h GLN 180 CO -0.29 0.85 -0.00 -0.07 0.09 0.00 0.00 178.83 179.41 1wa5 h LEU 181 N 0.67 0.00 -0.77 0.06 3.38 0.07 0.17 115.31 118.89 1wa5 h LEU 181 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1wa5 h LEU 181 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1wa5 h LEU 181 CO 0.04 0.00 -0.54 -0.07 0.09 0.00 0.00 178.44 177.96 1wa5 h LEU 182 N 0.00 0.00 0.09 1.67 3.38 -0.76 0.52 115.31 120.21 1wa5 h LEU 182 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1wa5 h LEU 182 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1wa5 h LEU 182 CO 0.00 0.54 -1.18 1.88 0.09 0.00 0.00 178.44 179.77 1wa5 h TYR 183 N 0.00 0.34 0.00 1.13 -1.99 -0.76 -3.42 116.97 112.27 1wa5 h TYR 183 Ca -0.01 -0.25 -0.34 0.00 2.00 0.00 0.00 58.73 60.13 1wa5 h TYR 183 Cb 1.06 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.72 1wa5 h TYR 183 CO 0.00 1.46 -2.17 0.25 -0.00 0.00 0.00 178.16 177.71 1wa5 n THR 184 N -4.09 1.47 -0.64 -2.88 -2.24 -0.04 -5.01 114.28 100.84 1wa5 n THR 184 Ca -0.23 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.41 1wa5 n THR 184 Cb 0.82 -0.67 0.19 0.00 -2.10 0.00 0.00 70.33 68.56 1wa5 n THR 184 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa5 n GLY 185 N 1.70 -1.29 0.00 3.38 0.00 0.18 -5.03 105.19 104.12 1wa5 n GLY 185 Ca -0.28 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1wa5 n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wa5 n SER 186 N -3.75 0.00 0.24 1.61 3.41 -1.26 -4.70 113.62 109.17 1wa5 n SER 186 Ca 0.08 -0.78 -0.14 0.00 -0.26 0.00 0.00 58.87 57.76 1wa5 n SER 186 Cb 0.54 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1wa5 n SER 186 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1wa5 h VAL 187 N -0.63 0.47 -0.08 -3.33 2.07 -1.98 0.10 116.25 112.87 1wa5 h VAL 187 Ca 0.00 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1wa5 h VAL 187 Cb 0.00 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1wa5 h VAL 187 CO 0.00 0.06 0.06 -0.33 0.02 0.00 0.00 177.57 177.39 1wa5 h GLU 188 N -0.89 0.00 0.03 1.57 5.08 -2.00 -1.63 114.58 116.75 1wa5 h GLU 188 Ca -0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1wa5 h GLU 188 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wa5 h GLU 188 CO 0.10 0.00 -0.37 0.28 -1.00 0.00 0.00 179.01 178.03 1wa5 h VAL 189 N 0.00 1.57 -0.09 3.13 2.07 -1.89 -3.23 116.25 117.82 1wa5 h VAL 189 Ca 0.04 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.42 1wa5 h VAL 189 Cb 0.17 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1wa5 h VAL 189 CO -0.00 0.59 0.07 0.11 0.02 0.00 0.00 177.57 178.37 1wa5 h LYS 190 N -0.52 0.00 -0.33 1.57 1.57 -0.38 -1.87 116.57 116.62 1wa5 h LYS 190 Ca -0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1wa5 h LYS 190 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1wa5 h LYS 190 CO 0.07 0.00 -0.43 0.93 -0.57 0.00 0.00 179.45 179.45 1wa5 h GLU 191 N 0.00 0.83 -0.09 3.15 5.08 -1.36 -2.19 114.58 120.01 1wa5 h GLU 191 Ca 0.04 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1wa5 h GLU 191 Cb 0.18 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wa5 h GLU 191 CO -0.00 1.09 -0.31 1.96 -1.00 0.00 0.00 179.01 180.75 1wa5 h GLN 192 N 0.67 0.36 -0.71 2.33 1.08 -1.39 -2.78 115.11 114.67 1wa5 h GLN 192 Ca 0.05 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1wa5 h GLN 192 Cb 1.00 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 1wa5 h GLN 192 CO 0.10 0.90 0.42 0.00 -0.95 0.00 0.00 178.83 179.30 1wa5 h ALA 193 N 0.46 0.91 -0.26 3.87 0.00 -1.41 -1.34 119.26 121.50 1wa5 h ALA 193 Ca -0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1wa5 h ALA 193 Cb 0.94 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wa5 h ALA 193 CO 0.06 0.38 -0.35 0.97 0.00 0.00 0.00 179.25 180.31 1wa5 h ILE 194 N 0.97 1.29 -0.48 0.00 6.09 -1.46 -1.22 117.51 122.70 1wa5 h ILE 194 Ca 0.25 -1.49 -0.04 0.00 -1.37 0.00 0.00 64.86 62.21 1wa5 h ILE 194 Cb -0.02 1.47 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1wa5 h ILE 194 CO -0.05 0.47 0.13 -0.25 -3.07 0.00 0.00 178.15 175.39 1wa5 h TRP 195 N 0.48 0.80 -0.09 2.19 2.91 -1.19 -1.95 115.95 119.10 1wa5 h TRP 195 Ca 0.05 -0.09 0.01 0.00 1.13 0.00 0.00 58.89 59.99 1wa5 h TRP 195 Cb 0.84 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 1wa5 h TRP 195 CO 0.03 0.71 0.01 0.00 -1.03 0.00 0.00 178.44 178.17 1wa5 h ALA 196 N 0.99 0.09 0.00 2.65 0.00 -1.00 -0.79 119.26 121.19 1wa5 h ALA 196 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wa5 h ALA 196 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wa5 h ALA 196 CO -0.00 -0.45 0.03 -0.07 0.00 0.00 0.00 179.25 178.76 1wa5 h LEU 197 N 0.05 0.00 -0.00 0.00 3.38 -0.93 -1.94 115.31 115.86 1wa5 h LEU 197 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1wa5 h LEU 197 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1wa5 h LEU 197 CO -0.06 0.00 -0.26 1.23 0.09 0.00 0.00 178.44 179.44 1wa5 h GLY 198 N 0.00 0.20 1.00 0.83 0.00 -0.36 -2.57 103.07 102.17 1wa5 h GLY 198 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1wa5 h GLY 198 CO 0.00 0.30 0.36 3.43 0.00 0.00 0.00 176.54 180.63 1wa5 h ASN 199 N -0.49 0.80 0.53 0.19 2.35 -1.06 0.21 115.58 118.10 1wa5 h ASN 199 Ca -0.03 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1wa5 h ASN 199 Cb 1.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1wa5 h ASN 199 CO 0.05 0.65 -0.36 0.58 -1.65 0.00 0.00 177.43 176.71 1wa5 h VAL 200 N 0.88 0.00 -0.67 2.81 2.07 -1.56 -2.33 116.25 117.44 1wa5 h VAL 200 Ca 0.23 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.89 1wa5 h VAL 200 Cb 0.03 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.69 1wa5 h VAL 200 CO -0.04 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.62 1wa5 h ALA 201 N -1.34 0.74 0.00 1.67 0.00 -1.28 0.62 119.26 119.68 1wa5 h ALA 201 Ca -0.07 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wa5 h ALA 201 Cb 0.68 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1wa5 h ALA 201 CO 0.05 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.34 1wa5 n GLY 202 N -1.36 -0.60 0.13 0.00 0.00 0.73 -3.46 105.19 100.63 1wa5 n GLY 202 Ca 0.11 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1wa5 n GLY 202 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wa5 h ASP 203 N 0.00 0.43 -5.19 1.61 3.58 -0.30 -3.42 116.42 113.12 1wa5 h ASP 203 Ca 0.00 -0.73 0.22 0.00 0.42 0.00 0.00 57.03 56.94 1wa5 h ASP 203 Cb 0.07 -0.13 -0.12 0.00 1.72 0.00 0.00 39.33 40.87 1wa5 h ASP 203 CO 0.00 1.10 0.63 -0.94 -2.88 0.00 0.00 179.24 177.15 1wa5 s SER 204 N -6.55 -0.17 0.54 2.28 1.04 -1.22 -5.01 113.70 104.60 1wa5 s SER 204 Ca -0.14 -0.20 0.28 0.00 0.48 0.00 0.00 55.95 56.37 1wa5 s SER 204 Cb 0.03 0.33 1.54 0.00 0.10 0.00 0.00 66.02 68.01 1wa5 s SER 204 CO 0.79 -0.58 2.12 0.71 0.98 0.00 0.00 173.24 177.26 1wa5 h THR 205 N 2.00 0.57 -0.10 2.02 1.35 -1.94 -0.53 112.91 116.28 1wa5 h THR 205 Ca -0.24 -0.39 -0.05 0.00 -0.55 0.00 0.00 66.41 65.18 1wa5 h THR 205 Cb 1.22 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1wa5 h THR 205 CO 0.27 0.09 -0.13 0.44 -0.25 0.00 0.00 175.52 175.94 1wa5 h ASP 206 N 0.00 0.28 0.16 5.36 5.19 -1.95 -0.96 116.42 124.50 1wa5 h ASP 206 Ca -0.00 -0.52 -0.12 0.00 -0.62 0.00 0.00 57.03 55.77 1wa5 h ASP 206 Cb 0.25 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1wa5 h ASP 206 CO 0.01 0.74 -0.42 1.88 -3.12 0.00 0.00 179.24 178.34 1wa5 h TYR 207 N -0.17 0.40 -0.20 4.55 0.99 -1.76 -0.33 116.97 120.46 1wa5 h TYR 207 Ca 0.01 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.64 1wa5 h TYR 207 Cb 0.68 -0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.31 1wa5 h TYR 207 CO 0.10 0.71 0.11 -0.09 -0.00 0.00 0.00 178.16 178.98 1wa5 h ARG 208 N 0.28 0.22 -0.52 4.88 2.43 -1.05 -1.24 114.38 119.38 1wa5 h ARG 208 Ca 0.02 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1wa5 h ARG 208 Cb 0.86 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1wa5 h ARG 208 CO 0.07 0.15 0.03 -0.44 -1.51 0.00 0.00 179.97 178.26 1wa5 h ASP 209 N 0.23 0.88 -0.30 -3.80 3.32 -0.89 -2.67 116.42 113.18 1wa5 h ASP 209 Ca 0.08 -0.29 0.02 0.00 0.02 0.00 0.00 57.03 56.85 1wa5 h ASP 209 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1wa5 h ASP 209 CO -0.04 0.96 0.16 0.22 -1.72 0.00 0.00 179.24 178.81 1wa5 h TYR 210 N 0.78 0.29 -0.93 4.55 3.20 -0.85 0.16 116.97 124.16 1wa5 h TYR 210 Ca 0.15 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.12 1wa5 h TYR 210 Cb 0.49 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 1wa5 h TYR 210 CO 0.04 0.16 0.60 0.28 -1.64 0.00 0.00 178.16 177.60 1wa5 h VAL 211 N 0.33 1.00 -0.07 1.81 2.07 -1.11 0.33 116.25 120.60 1wa5 h VAL 211 Ca 0.12 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1wa5 h VAL 211 Cb 0.03 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1wa5 h VAL 211 CO -0.08 0.18 -0.63 -0.07 0.02 0.00 0.00 177.57 176.99 1wa5 h LEU 212 N 0.98 0.32 -1.69 2.57 3.38 -1.01 -2.85 115.31 117.00 1wa5 h LEU 212 Ca 0.43 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1wa5 h LEU 212 Cb 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wa5 h LEU 212 CO -0.19 0.87 -0.18 1.56 0.09 0.00 0.00 178.44 180.59 1wa5 h GLN 213 N 0.20 0.00 -0.26 1.13 4.20 0.13 -2.06 115.11 118.45 1wa5 h GLN 213 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1wa5 h GLN 213 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1wa5 h GLN 213 CO 0.10 0.18 0.00 0.00 -0.67 0.00 0.00 178.83 178.44 1wa5 n ASN 215 N 0.09 -4.86 0.26 0.00 3.02 -0.77 -4.92 115.26 108.09 1wa5 n ASN 215 Ca 0.07 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 1wa5 n ASN 215 Cb 0.20 -3.92 0.73 0.00 -0.61 0.00 0.00 39.78 36.18 1wa5 n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wa5 h ALA 216 N 0.77 1.36 -0.26 5.41 0.00 -1.71 -3.29 119.26 121.53 1wa5 h ALA 216 Ca -0.39 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1wa5 h ALA 216 Cb 1.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1wa5 h ALA 216 CO 0.45 0.13 0.00 1.98 0.00 0.00 0.00 179.25 181.81 1wa5 h MET 217 N 0.00 0.08 0.02 0.00 -1.53 -1.86 -1.39 114.93 110.25 1wa5 h MET 217 Ca -0.00 -0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1wa5 h MET 217 Cb 0.28 -0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.28 1wa5 h MET 217 CO 0.01 0.05 -0.19 1.49 0.14 0.00 0.00 176.91 178.41 1wa5 h GLU 218 N 0.08 -0.32 -0.31 0.39 4.81 -1.98 -0.42 114.58 116.84 1wa5 h GLU 218 Ca 0.12 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1wa5 h GLU 218 Cb 0.16 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1wa5 h GLU 218 CO -0.21 -0.21 -0.26 -1.00 -0.73 0.00 0.00 179.01 176.60 1wa5 h PRO 219 N -0.33 0.62 -0.41 0.92 0.13 -1.75 -3.04 132.00 128.15 1wa5 h PRO 219 Ca 0.05 -0.25 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1wa5 h PRO 219 Cb 0.39 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.46 1wa5 h PRO 219 CO -0.16 0.82 0.23 0.82 -0.23 0.00 0.00 178.00 179.49 1wa5 h ILE 220 N 0.54 1.03 0.00 -3.56 2.04 -0.90 -1.56 117.51 115.10 1wa5 h ILE 220 Ca 0.07 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1wa5 h ILE 220 Cb 0.74 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1wa5 h ILE 220 CO 0.06 0.09 0.00 -0.07 0.00 0.00 0.00 178.15 178.22 1wa5 h LEU 221 N 0.47 0.00 0.00 1.44 3.38 -0.98 -1.89 115.31 117.73 1wa5 h LEU 221 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wa5 h LEU 221 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wa5 h LEU 221 CO -0.08 0.00 -0.06 1.23 0.09 0.00 0.00 178.44 179.62 1wa5 h GLY 222 N 0.68 0.00 2.00 0.83 0.00 -1.17 -3.28 103.07 102.12 1wa5 h GLY 222 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1wa5 h GLY 222 CO 0.00 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 177.85 1wa5 h LEU 223 N 0.00 0.00 -1.50 3.11 3.38 -1.28 -3.31 115.31 115.71 1wa5 h LEU 223 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wa5 h LEU 223 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1wa5 h LEU 223 CO 0.00 0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.12 1wa5 n PHE 224 N -3.25 0.00 0.03 1.13 3.01 -1.24 -2.12 117.46 115.02 1wa5 n PHE 224 Ca 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1wa5 n PHE 224 Cb 0.35 -0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 1wa5 n PHE 224 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wa5 n ASN 225 N 0.31 1.56 0.00 4.37 4.13 -1.25 -4.72 115.26 119.66 1wa5 n ASN 225 Ca 0.00 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1wa5 n ASN 225 Cb 0.33 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.58 1wa5 n ASN 225 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1wa5 n SER 226 N -1.18 0.00 -0.84 6.41 3.41 -0.90 -4.78 113.62 115.73 1wa5 n SER 226 Ca 0.00 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.87 1wa5 n SER 226 Cb 0.02 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1wa5 n SER 226 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1wa5 n ASN 227 N -1.28 -1.38 -4.43 4.04 0.23 -1.26 -4.87 115.26 106.32 1wa5 n ASN 227 Ca 0.00 0.09 -0.42 0.00 -0.53 0.00 0.00 54.58 53.72 1wa5 n ASN 227 Cb 0.13 -1.48 -0.10 0.00 -2.08 0.00 0.00 39.78 36.25 1wa5 n ASN 227 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1wa5 s LYS 228 N -1.92 2.92 0.20 -3.83 2.47 -1.26 -5.00 119.74 113.33 1wa5 s LYS 228 Ca 0.00 -1.08 -0.20 0.00 -1.56 0.00 0.00 55.97 53.13 1wa5 s LYS 228 Cb 0.00 -3.93 0.16 0.00 -1.46 0.00 0.00 37.83 32.60 1wa5 s LYS 228 CO 0.00 -0.77 1.56 -1.35 0.16 0.00 0.00 175.35 174.96 1wa5 h PRO 229 N 8.59 -0.08 -0.45 4.03 0.11 -2.00 -0.32 132.00 141.88 1wa5 h PRO 229 Ca -0.27 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1wa5 h PRO 229 Cb 1.11 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1wa5 h PRO 229 CO 0.73 -0.06 0.11 0.66 -0.21 0.00 0.00 178.00 179.24 1wa5 h SER 230 N -0.09 0.62 -0.30 -2.05 4.64 -2.00 -2.03 113.55 112.34 1wa5 h SER 230 Ca 0.28 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1wa5 h SER 230 Cb 0.57 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1wa5 h SER 230 CO -0.84 0.61 -0.30 0.25 -0.87 0.00 0.00 176.83 175.68 1wa5 h LEU 231 N 0.65 0.78 -0.18 5.97 5.85 -1.57 -2.62 115.31 124.19 1wa5 h LEU 231 Ca 0.15 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1wa5 h LEU 231 Cb 0.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1wa5 h LEU 231 CO -0.00 1.10 0.05 0.40 -0.34 0.00 0.00 178.44 179.64 1wa5 h ILE 232 N 0.49 1.19 -0.12 4.05 1.08 -0.92 -0.83 117.51 122.45 1wa5 h ILE 232 Ca 0.05 -0.61 0.05 0.00 -0.39 0.00 0.00 64.86 63.95 1wa5 h ILE 232 Cb 0.88 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.82 1wa5 h ILE 232 CO 0.08 0.19 -0.28 0.03 -0.69 0.00 0.00 178.15 177.48 1wa5 h ARG 233 N 0.11 -0.34 -0.24 2.37 3.08 -1.39 -0.30 114.38 117.68 1wa5 h ARG 233 Ca 0.06 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1wa5 h ARG 233 Cb 0.24 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1wa5 h ARG 233 CO -0.00 -0.23 0.15 1.15 -1.07 0.00 0.00 179.97 179.97 1wa5 h THR 234 N -0.35 1.05 0.00 2.04 2.02 -1.40 -2.47 112.91 113.79 1wa5 h THR 234 Ca 0.10 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1wa5 h THR 234 Cb 0.50 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1wa5 h THR 234 CO -0.32 0.06 -0.22 0.00 0.37 0.00 0.00 175.52 175.40 1wa5 h ALA 235 N 1.10 1.56 -0.16 6.16 0.00 -0.82 -1.90 119.26 125.18 1wa5 h ALA 235 Ca 0.09 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1wa5 h ALA 235 Cb -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wa5 h ALA 235 CO -0.03 0.28 -0.66 1.15 0.00 0.00 0.00 179.25 179.99 1wa5 h THR 236 N 0.00 1.32 -0.23 0.00 2.02 -0.75 -1.17 112.91 114.10 1wa5 h THR 236 Ca -0.00 -1.93 -0.03 0.00 0.77 0.00 0.00 66.41 65.22 1wa5 h THR 236 Cb 0.41 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1wa5 h THR 236 CO 0.03 0.60 0.03 -0.25 0.37 0.00 0.00 175.52 176.31 1wa5 h TRP 237 N 0.45 0.41 -0.68 3.16 7.01 -1.15 -0.57 115.95 124.58 1wa5 h TRP 237 Ca -0.02 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 60.94 1wa5 h TRP 237 Cb 1.25 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 1wa5 h TRP 237 CO 0.06 0.51 0.44 1.15 -2.79 0.00 0.00 178.44 177.82 1wa5 h THR 238 N 0.18 1.16 -0.71 2.65 2.02 -1.29 -1.28 112.91 115.64 1wa5 h THR 238 Ca 0.07 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1wa5 h THR 238 Cb 0.33 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1wa5 h THR 238 CO 0.01 0.16 0.29 0.25 0.37 0.00 0.00 175.52 176.60 1wa5 h LEU 239 N 0.90 0.94 -1.15 2.58 5.85 -0.99 -1.19 115.31 122.25 1wa5 h LEU 239 Ca 0.25 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1wa5 h LEU 239 Cb -0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1wa5 h LEU 239 CO -0.06 0.83 -0.15 0.77 -0.34 0.00 0.00 178.44 179.49 1wa5 h SER 240 N 1.02 0.40 0.20 1.25 4.64 -0.43 -1.68 113.55 118.95 1wa5 h SER 240 Ca 0.24 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 1wa5 h SER 240 Cb 0.17 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1wa5 h SER 240 CO -0.02 0.58 -0.34 0.78 -0.87 0.00 0.00 176.83 176.95 1wa5 h ASN 241 N 0.38 0.21 1.06 4.97 2.35 -0.13 -0.93 115.58 123.49 1wa5 h ASN 241 Ca 0.07 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1wa5 h ASN 241 Cb 0.49 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1wa5 h ASN 241 CO 0.03 0.54 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.13 1wa5 h LEU 242 N 0.18 0.00 0.00 1.61 3.38 -0.37 -3.15 115.31 116.96 1wa5 h LEU 242 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1wa5 h LEU 242 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wa5 h LEU 242 CO 0.05 0.15 -1.52 0.00 0.09 0.00 0.00 178.44 177.22 1wa5 s ARG 244 N -3.36 2.30 0.00 0.00 3.52 -0.40 -4.64 118.95 116.36 1wa5 s ARG 244 Ca -0.04 1.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.06 1wa5 s ARG 244 Cb 0.11 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.62 1wa5 s ARG 244 CO 0.84 -1.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.09 1wa5 n GLY 245 N -0.22 -0.13 0.09 8.12 0.00 -1.26 -4.74 105.19 107.06 1wa5 n GLY 245 Ca 0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 1wa5 n GLY 245 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wa5 h LYS 246 N 0.00 0.00 -2.56 1.61 3.64 -1.96 -3.37 116.57 113.93 1wa5 h LYS 246 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1wa5 h LYS 246 Cb 0.00 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.46 1wa5 h LYS 246 CO 0.00 0.68 -0.63 -1.59 -2.27 0.00 0.00 179.45 175.64 1wa5 s LYS 247 N -2.79 0.18 0.48 1.90 0.00 -1.26 -2.58 119.74 115.67 1wa5 s LYS 247 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 55.97 55.98 1wa5 s LYS 247 Cb 0.09 -1.16 -0.07 0.00 0.00 0.00 0.00 37.83 36.69 1wa5 s LYS 247 CO 0.80 -0.63 1.10 -2.14 0.00 0.00 0.00 175.35 174.48 1wa5 s PRO 248 N 2.32 3.72 0.44 1.78 0.02 -1.26 -5.07 135.00 136.95 1wa5 s PRO 248 Ca 0.06 1.58 -0.22 0.00 0.02 0.00 0.00 61.00 62.45 1wa5 s PRO 248 Cb -0.15 -2.24 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 1wa5 s PRO 248 CO -0.12 -0.54 1.02 -0.65 -0.33 0.00 0.00 177.00 176.38 1wa5 s GLN 249 N -2.96 4.05 1.00 5.54 -1.52 -1.07 -4.83 119.66 119.88 1wa5 s GLN 249 Ca 0.66 1.35 -0.13 0.00 -1.95 0.00 0.00 55.36 55.29 1wa5 s GLN 249 Cb -0.23 -2.29 0.19 0.00 -0.22 0.00 0.00 33.01 30.46 1wa5 s GLN 249 CO 0.28 -0.21 1.10 -1.25 -0.25 0.00 0.00 175.29 174.96 1wa5 s PRO 250 N -2.93 0.44 -0.53 2.91 0.04 -1.26 -4.85 135.00 128.83 1wa5 s PRO 250 Ca 0.62 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1wa5 s PRO 250 Cb -0.16 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1wa5 s PRO 250 CO 0.21 -2.70 2.20 0.34 0.04 0.00 0.00 177.00 177.09 1wa5 s ASP 251 N -3.57 4.77 0.35 6.66 -1.08 -1.26 -4.84 116.67 117.69 1wa5 s ASP 251 Ca 0.65 0.84 0.14 0.00 -0.52 0.00 0.00 52.55 53.66 1wa5 s ASP 251 Cb -0.18 -2.51 1.00 0.00 -1.46 0.00 0.00 42.92 39.77 1wa5 s ASP 251 CO 0.57 -2.67 1.73 -0.25 0.52 0.00 0.00 175.17 175.07 1wa5 h TRP 252 N 17.79 0.87 0.00 -5.34 2.91 -1.99 0.19 115.95 130.38 1wa5 h TRP 252 Ca -0.25 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.79 1wa5 h TRP 252 Cb 1.23 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.63 1wa5 h TRP 252 CO 0.99 0.03 -0.04 0.66 -1.03 0.00 0.00 178.44 179.06 1wa5 h SER 253 N 0.48 0.00 0.00 2.65 4.64 -2.00 -2.25 113.55 117.07 1wa5 h SER 253 Ca 0.64 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.55 1wa5 h SER 253 Cb 1.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.44 1wa5 h SER 253 CO -0.42 0.04 -2.26 0.52 -0.87 0.00 0.00 176.83 173.83 1wa5 n VAL 254 N -3.60 1.53 0.23 0.95 0.31 0.61 -4.51 118.33 113.85 1wa5 n VAL 254 Ca -0.02 -0.31 0.09 0.00 -0.01 0.00 0.00 64.34 64.09 1wa5 n VAL 254 Cb 0.13 -1.91 0.53 0.00 -0.91 0.00 0.00 33.84 31.69 1wa5 n VAL 254 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1wa5 h VAL 255 N -0.97 0.71 0.00 2.52 -1.51 -1.42 -2.44 116.25 113.14 1wa5 h VAL 255 Ca -0.62 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 1wa5 h VAL 255 Cb 1.56 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 1wa5 h VAL 255 CO -0.37 0.22 0.00 -1.54 -1.23 0.00 0.00 177.57 174.65 1wa5 n SER 256 N -3.61 0.41 0.26 4.19 3.41 -0.85 -1.70 113.62 115.74 1wa5 n SER 256 Ca -0.01 0.60 0.16 0.00 -0.26 0.00 0.00 58.87 59.37 1wa5 n SER 256 Cb 0.36 -0.69 0.59 0.00 -0.26 0.00 0.00 64.21 64.21 1wa5 n SER 256 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1wa5 h GLN 257 N 0.00 0.00 -0.00 4.33 4.20 -1.66 -2.89 115.11 119.08 1wa5 h GLN 257 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wa5 h GLN 257 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1wa5 h GLN 257 CO 0.00 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.11 1wa5 n ALA 258 N -2.08 2.62 -0.07 3.87 0.00 -0.69 -4.22 120.51 119.95 1wa5 n ALA 258 Ca 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1wa5 n ALA 258 Cb 0.34 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1wa5 n ALA 258 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wa5 h LEU 259 N 0.24 0.27 -1.15 0.00 3.38 -1.68 -0.47 115.31 115.90 1wa5 h LEU 259 Ca 0.00 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1wa5 h LEU 259 Cb 0.30 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1wa5 h LEU 259 CO 0.00 0.20 0.59 -0.65 0.09 0.00 0.00 178.44 178.67 1wa5 h PRO 260 N 0.34 0.91 -0.33 1.13 0.11 -1.83 0.87 132.00 133.20 1wa5 h PRO 260 Ca 0.10 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.02 1wa5 h PRO 260 Cb -0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1wa5 h PRO 260 CO -0.04 0.61 -0.36 1.15 -0.21 0.00 0.00 178.00 179.14 1wa5 h THR 261 N 0.94 1.28 -0.33 -1.15 2.02 -1.72 -2.73 112.91 111.22 1wa5 h THR 261 Ca 0.42 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.98 1wa5 h THR 261 Cb 0.38 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1wa5 h THR 261 CO -0.18 0.50 -0.21 -0.07 0.37 0.00 0.00 175.52 175.93 1wa5 h LEU 262 N 0.63 0.62 -1.30 2.58 3.38 -0.12 0.19 115.31 121.28 1wa5 h LEU 262 Ca 0.06 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1wa5 h LEU 262 Cb 0.91 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1wa5 h LEU 262 CO 0.08 0.82 0.48 0.00 0.09 0.00 0.00 178.44 179.92 1wa5 h ALA 263 N 1.23 1.52 -0.04 1.53 0.00 -0.60 -1.96 119.26 120.93 1wa5 h ALA 263 Ca 0.08 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1wa5 h ALA 263 Cb 0.66 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wa5 h ALA 263 CO 0.05 0.43 -0.59 -0.22 0.00 0.00 0.00 179.25 178.92 1wa5 h LYS 264 N 0.95 0.47 -0.31 0.00 3.64 -1.15 -3.30 116.57 116.86 1wa5 h LYS 264 Ca 0.28 -0.45 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1wa5 h LYS 264 Cb -0.04 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1wa5 h LYS 264 CO -0.07 1.09 0.21 -0.07 -2.27 0.00 0.00 179.45 178.34 1wa5 h LEU 265 N 0.01 0.33 0.00 5.20 3.38 -0.45 -0.65 115.31 123.13 1wa5 h LEU 265 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1wa5 h LEU 265 Cb 1.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wa5 h LEU 265 CO 0.12 0.24 0.00 2.30 0.09 0.00 0.00 178.44 181.19 1wa5 n ILE 266 N -4.49 0.00 0.68 1.22 -5.35 -0.79 -1.17 119.36 109.47 1wa5 n ILE 266 Ca 0.02 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.62 1wa5 n ILE 266 Cb 0.09 -0.61 0.24 0.00 -1.74 0.00 0.00 39.64 37.62 1wa5 n ILE 266 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1wa5 n TYR 267 N -0.97 0.33 -1.31 4.28 4.02 -0.25 -4.90 117.16 118.36 1wa5 n TYR 267 Ca 0.16 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 1wa5 n TYR 267 Cb 0.07 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.49 1wa5 n TYR 267 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1wa5 s SER 268 N -1.62 4.40 0.00 7.72 0.15 -0.32 -4.95 113.70 119.08 1wa5 s SER 268 Ca 0.35 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.70 1wa5 s SER 268 Cb 0.21 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1wa5 s SER 268 CO 0.30 -2.08 0.67 0.23 1.20 0.00 0.00 173.24 173.56 1wa5 n MET 269 N -3.54 0.20 -2.60 5.44 2.81 -1.26 -4.90 117.12 113.26 1wa5 n MET 269 Ca 0.08 -0.83 -0.43 0.00 -1.81 0.00 0.00 57.70 54.71 1wa5 n MET 269 Cb 0.54 -1.02 -0.02 0.00 -0.71 0.00 0.00 33.22 32.01 1wa5 n MET 269 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wa5 s ASP 270 N -0.34 6.96 0.15 7.83 2.15 -1.26 -4.94 116.67 127.22 1wa5 s ASP 270 Ca 0.02 1.24 -0.20 0.00 0.43 0.00 0.00 52.55 54.03 1wa5 s ASP 270 Cb 0.01 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 1wa5 s ASP 270 CO 0.01 -0.82 1.65 0.74 -0.17 0.00 0.00 175.17 176.58 1wa5 h THR 271 N 5.64 0.49 -1.00 1.71 2.02 -1.99 -0.60 112.91 119.18 1wa5 h THR 271 Ca -0.21 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.05 1wa5 h THR 271 Cb 1.07 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 1wa5 h THR 271 CO 1.01 0.00 0.64 -0.33 0.37 0.00 0.00 175.52 177.21 1wa5 h GLU 272 N -0.16 1.07 -0.38 6.66 5.08 -2.00 0.37 114.58 125.22 1wa5 h GLU 272 Ca 0.15 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1wa5 h GLU 272 Cb 0.39 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1wa5 h GLU 272 CO -0.38 0.71 -0.12 1.15 -1.00 0.00 0.00 179.01 179.37 1wa5 h THR 273 N 1.10 1.28 -0.43 1.13 2.02 -1.77 -3.14 112.91 113.10 1wa5 h THR 273 Ca 0.46 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 66.43 1wa5 h THR 273 Cb 0.29 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1wa5 h THR 273 CO -0.21 0.40 0.28 -0.07 0.37 0.00 0.00 175.52 176.30 1wa5 h LEU 274 N 0.55 0.48 0.28 2.58 4.07 0.00 -1.66 115.31 121.60 1wa5 h LEU 274 Ca 0.09 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.05 1wa5 h LEU 274 Cb 0.65 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 1wa5 h LEU 274 CO 0.04 0.34 -0.43 0.58 -1.08 0.00 0.00 178.44 177.89 1wa5 h VAL 275 N 0.57 0.14 -0.12 1.22 2.07 -0.93 -0.44 116.25 118.75 1wa5 h VAL 275 Ca 0.16 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 1wa5 h VAL 275 Cb -0.05 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1wa5 h VAL 275 CO -0.04 0.00 -0.24 0.44 0.02 0.00 0.00 177.57 177.75 1wa5 h ASP 276 N -0.77 0.21 -0.28 0.57 3.32 -1.53 -1.76 116.42 116.17 1wa5 h ASP 276 Ca -0.01 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1wa5 h ASP 276 Cb 0.73 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1wa5 h ASP 276 CO -0.16 0.46 -0.20 0.00 -1.72 0.00 0.00 179.24 177.63 1wa5 h ALA 277 N 1.56 0.41 -0.40 3.45 0.00 -1.06 -1.66 119.26 121.56 1wa5 h ALA 277 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1wa5 h ALA 277 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wa5 h ALA 277 CO 0.04 0.34 0.07 0.00 0.00 0.00 0.00 179.25 179.70 1wa5 h TRP 279 N 0.58 0.96 -0.23 0.00 4.06 -1.17 0.83 115.95 120.99 1wa5 h TRP 279 Ca 0.13 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 60.95 1wa5 h TRP 279 Cb 0.27 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 1wa5 h TRP 279 CO 0.01 0.88 0.10 0.00 -3.56 0.00 0.00 178.44 175.87 1wa5 h ALA 280 N 0.96 0.27 -0.14 1.49 0.00 -0.80 -0.89 119.26 120.15 1wa5 h ALA 280 Ca 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wa5 h ALA 280 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1wa5 h ALA 280 CO 0.02 -0.31 -0.17 0.82 0.00 0.00 0.00 179.25 179.61 1wa5 h ILE 281 N 0.22 1.19 -0.21 0.00 2.04 -1.12 -0.80 117.51 118.83 1wa5 h ILE 281 Ca 0.10 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.98 1wa5 h ILE 281 Cb 0.04 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1wa5 h ILE 281 CO -0.08 0.27 -0.32 0.77 0.00 0.00 0.00 178.15 178.79 1wa5 h SER 282 N 0.21 0.44 -0.10 1.72 4.64 0.15 0.06 113.55 120.67 1wa5 h SER 282 Ca 0.04 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 1wa5 h SER 282 Cb 0.43 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1wa5 h SER 282 CO 0.03 0.74 -0.44 1.88 -0.87 0.00 0.00 176.83 178.17 1wa5 h TYR 283 N 0.37 0.63 0.00 4.77 0.99 -0.56 -2.82 116.97 120.36 1wa5 h TYR 283 Ca 0.05 -0.27 -0.07 0.00 2.00 0.00 0.00 58.73 60.44 1wa5 h TYR 283 Cb 0.75 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.37 1wa5 h TYR 283 CO 0.02 1.03 -0.32 -0.07 -0.00 0.00 0.00 178.16 178.83 1wa5 h LEU 284 N 0.05 0.00 0.00 3.88 3.38 -1.08 -2.60 115.31 118.94 1wa5 h LEU 284 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wa5 h LEU 284 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1wa5 h LEU 284 CO 0.09 0.32 -0.18 -1.54 0.09 0.00 0.00 178.44 177.22 1wa5 n SER 285 N -3.66 0.50 -4.55 -0.43 3.41 -0.00 -4.50 113.62 104.39 1wa5 n SER 285 Ca -0.01 0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 1wa5 n SER 285 Cb 0.43 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1wa5 n SER 285 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wa5 s ASP 286 N -3.80 6.57 0.00 4.04 -1.08 -0.98 -4.61 116.67 116.81 1wa5 s ASP 286 Ca 0.11 -1.67 -0.01 0.00 -0.52 0.00 0.00 52.55 50.46 1wa5 s ASP 286 Cb 0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1wa5 s ASP 286 CO 0.61 -1.42 0.05 0.61 0.52 0.00 0.00 175.17 175.55 1wa5 n GLY 287 N 6.52 0.85 3.42 2.66 0.00 -1.26 -5.01 105.19 112.37 1wa5 n GLY 287 Ca 0.35 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1wa5 n GLY 287 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wa5 s PRO 288 N -2.00 -2.34 0.37 1.61 0.04 -1.26 -4.70 135.00 126.71 1wa5 s PRO 288 Ca 0.01 -0.03 0.13 0.00 0.04 0.00 0.00 61.00 61.16 1wa5 s PRO 288 Cb -0.00 -1.46 0.96 0.00 0.04 0.00 0.00 34.50 34.04 1wa5 s PRO 288 CO 0.00 -4.46 1.79 0.37 0.04 0.00 0.00 177.00 174.75 1wa5 h GLN 289 N -3.11 0.52 -0.05 4.56 4.15 -1.98 -1.03 115.11 118.17 1wa5 h GLN 289 Ca -0.43 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.83 1wa5 h GLN 289 Cb 1.31 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1wa5 h GLN 289 CO 0.28 0.35 -0.56 1.05 -1.93 0.00 0.00 178.83 178.02 1wa5 h GLU 290 N 0.54 0.16 0.04 1.69 4.11 -1.99 -2.32 114.58 116.82 1wa5 h GLU 290 Ca 0.56 -0.10 -0.00 0.00 0.07 0.00 0.00 59.36 59.89 1wa5 h GLU 290 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wa5 h GLU 290 CO -0.30 0.68 -0.02 0.00 0.07 0.00 0.00 179.01 179.43 1wa5 h ALA 291 N 1.30 -0.06 -0.88 1.06 0.00 -1.50 -1.92 119.26 117.26 1wa5 h ALA 291 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.81 1wa5 h ALA 291 Cb 1.03 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1wa5 h ALA 291 CO 0.08 -0.36 0.54 0.82 0.00 0.00 0.00 179.25 180.33 1wa5 h ILE 292 N -0.40 1.01 -0.30 0.00 2.04 -1.49 -1.64 117.51 116.73 1wa5 h ILE 292 Ca -0.01 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1wa5 h ILE 292 Cb 0.37 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1wa5 h ILE 292 CO 0.01 0.18 -0.05 -0.61 0.00 0.00 0.00 178.15 177.67 1wa5 h GLN 293 N 0.96 0.47 -0.16 2.37 5.75 -1.29 -0.86 115.11 122.35 1wa5 h GLN 293 Ca 0.40 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.69 1wa5 h GLN 293 Cb 0.24 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1wa5 h GLN 293 CO -0.20 0.54 -0.34 0.00 -2.65 0.00 0.00 178.83 176.19 1wa5 h ALA 294 N 1.50 1.12 -0.16 3.38 0.00 -0.49 0.15 119.26 124.77 1wa5 h ALA 294 Ca 0.09 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1wa5 h ALA 294 Cb 0.38 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wa5 h ALA 294 CO 0.02 0.56 -0.77 0.28 0.00 0.00 0.00 179.25 179.34 1wa5 h VAL 295 N 0.29 1.28 -0.48 0.00 2.07 -0.92 -3.10 116.25 115.38 1wa5 h VAL 295 Ca 0.03 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 1wa5 h VAL 295 Cb 0.74 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1wa5 h VAL 295 CO 0.06 0.62 0.23 0.40 0.02 0.00 0.00 177.57 178.90 1wa5 h ILE 296 N 0.54 1.19 0.00 4.57 2.04 -0.89 -2.95 117.51 122.02 1wa5 h ILE 296 Ca -0.05 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1wa5 h ILE 296 Cb 1.39 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1wa5 h ILE 296 CO 0.16 0.21 -0.04 0.44 0.00 0.00 0.00 178.15 178.92 1wa5 h ASP 297 N 0.64 0.00 -0.11 1.72 3.32 -0.96 -0.13 116.42 120.91 1wa5 h ASP 297 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1wa5 h ASP 297 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1wa5 h ASP 297 CO -0.02 0.04 0.00 1.33 -1.72 0.00 0.00 179.24 178.87 1wa5 n VAL 298 N -4.47 0.13 -3.27 -1.35 0.24 -1.12 -4.91 118.33 103.58 1wa5 n VAL 298 Ca -0.03 -0.22 -0.23 0.00 -2.04 0.00 0.00 64.34 61.81 1wa5 n VAL 298 Cb 0.12 0.14 0.05 0.00 -1.47 0.00 0.00 33.84 32.68 1wa5 n VAL 298 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wa5 n ARG 299 N -0.07 -5.99 0.04 7.34 1.74 -0.06 -4.91 116.66 114.75 1wa5 n ARG 299 Ca 0.15 0.86 -0.08 0.00 -0.77 0.00 0.00 57.85 58.01 1wa5 n ARG 299 Cb 0.23 -5.79 0.07 0.00 -1.02 0.00 0.00 32.46 25.95 1wa5 n ARG 299 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1wa5 h ILE 300 N -1.88 1.36 -0.73 0.55 2.04 -1.74 -3.37 117.51 113.74 1wa5 h ILE 300 Ca -0.55 -1.97 0.17 0.00 1.00 0.00 0.00 64.86 63.51 1wa5 h ILE 300 Cb 1.37 1.96 -0.12 0.00 -0.74 0.00 0.00 36.82 39.28 1wa5 h ILE 300 CO 0.57 0.60 0.08 1.55 0.00 0.00 0.00 178.15 180.94 1wa5 h PRO 301 N 0.30 0.16 -0.02 2.37 0.13 -1.88 -1.15 132.00 131.91 1wa5 h PRO 301 Ca -0.01 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1wa5 h PRO 301 Cb 1.17 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 1wa5 h PRO 301 CO 0.11 0.11 -0.42 -0.22 -0.23 0.00 0.00 178.00 177.34 1wa5 h LYS 302 N 0.17 -0.55 -0.28 0.86 3.64 -1.91 0.65 116.57 119.15 1wa5 h LYS 302 Ca 0.41 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1wa5 h LYS 302 Cb 0.72 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 1wa5 h LYS 302 CO -0.59 -0.36 -0.31 -0.09 -2.27 0.00 0.00 179.45 175.82 1wa5 h ARG 303 N -0.57 0.59 -0.69 1.90 9.65 -1.77 -2.11 114.38 121.37 1wa5 h ARG 303 Ca 0.05 -0.26 0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1wa5 h ARG 303 Cb 0.65 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.16 1wa5 h ARG 303 CO -0.33 0.83 0.38 1.25 2.80 0.00 0.00 179.97 184.90 1wa5 h LEU 304 N 0.50 0.55 -0.40 3.80 6.46 -0.71 -1.21 115.31 124.30 1wa5 h LEU 304 Ca 0.06 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1wa5 h LEU 304 Cb 0.79 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1wa5 h LEU 304 CO 0.06 0.34 0.10 0.58 -0.62 0.00 0.00 178.44 178.91 1wa5 h VAL 305 N 0.68 1.23 -0.58 1.05 2.07 -0.60 -2.43 116.25 117.66 1wa5 h VAL 305 Ca 0.32 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1wa5 h VAL 305 Cb 0.23 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1wa5 h VAL 305 CO -0.20 0.27 0.39 -0.33 0.02 0.00 0.00 177.57 177.71 1wa5 h GLU 306 N 0.50 0.46 0.00 1.57 5.08 -0.69 -0.45 114.58 121.05 1wa5 h GLU 306 Ca 0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1wa5 h GLU 306 Cb 0.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1wa5 h GLU 306 CO 0.00 0.31 0.00 -0.07 -1.00 0.00 0.00 179.01 178.25 1wa5 h LEU 307 N 0.48 0.00 -2.21 1.33 3.38 -0.74 -2.64 115.31 114.91 1wa5 h LEU 307 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1wa5 h LEU 307 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wa5 h LEU 307 CO -0.07 0.00 -0.05 -0.07 0.09 0.00 0.00 178.44 178.34 1wa5 h LEU 308 N 0.00 0.00 -3.21 1.67 3.38 -0.99 -1.03 115.31 115.12 1wa5 h LEU 308 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wa5 h LEU 308 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wa5 h LEU 308 CO 0.00 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 1wa5 n SER 309 N -3.89 5.04 -4.77 -0.43 3.41 -0.99 -4.82 113.62 107.17 1wa5 n SER 309 Ca -0.03 -2.63 -0.39 0.00 -0.26 0.00 0.00 58.87 55.57 1wa5 n SER 309 Cb 0.14 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 1wa5 n SER 309 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1wa5 s HIS 310 N -2.20 2.92 0.60 7.33 5.04 -0.39 -4.89 115.29 123.70 1wa5 s HIS 310 Ca 0.51 1.48 0.43 0.00 -1.54 0.00 0.00 55.06 55.95 1wa5 s HIS 310 Cb 0.35 -3.54 2.32 0.00 0.04 0.00 0.00 32.58 31.76 1wa5 s HIS 310 CO 0.20 -1.74 2.33 1.05 -2.34 0.00 0.00 174.74 174.24 1wa5 h GLU 311 N 2.63 0.00 -5.30 2.88 4.11 -1.93 -3.42 114.58 113.54 1wa5 h GLU 311 Ca -0.49 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.34 1wa5 h GLU 311 Cb 1.24 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.37 1wa5 h GLU 311 CO 0.62 0.00 -0.43 0.45 0.07 0.00 0.00 179.01 179.72 1wa5 s SER 312 N -5.18 6.26 0.44 3.06 0.15 -1.26 -4.94 113.70 112.24 1wa5 s SER 312 Ca -0.04 0.30 0.30 0.00 0.70 0.00 0.00 55.95 57.20 1wa5 s SER 312 Cb 0.12 -2.12 1.15 0.00 -1.71 0.00 0.00 66.02 63.46 1wa5 s SER 312 CO 0.42 0.13 1.87 0.71 1.20 0.00 0.00 173.24 177.56 1wa5 h THR 313 N 4.75 0.00 0.00 6.45 1.35 -1.98 0.05 112.91 123.52 1wa5 h THR 313 Ca -0.40 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 1wa5 h THR 313 Cb 1.16 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1wa5 h THR 313 CO 0.74 0.00 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.80 1wa5 h LEU 314 N 0.00 0.00 0.07 3.87 3.38 -1.95 -1.08 115.31 119.60 1wa5 h LEU 314 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1wa5 h LEU 314 Cb 0.52 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1wa5 h LEU 314 CO 0.00 0.14 -2.14 0.52 0.09 0.00 0.00 178.44 177.05 1wa5 n VAL 315 N -3.63 1.65 -0.14 1.22 0.31 -0.33 -4.34 118.33 113.07 1wa5 n VAL 315 Ca -0.02 -0.56 -0.05 0.00 -0.01 0.00 0.00 64.34 63.70 1wa5 n VAL 315 Cb 0.27 -1.66 0.04 0.00 -0.91 0.00 0.00 33.84 31.58 1wa5 n VAL 315 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1wa5 h GLN 316 N -0.10 0.41 0.05 5.55 4.20 -0.82 -2.24 115.11 122.16 1wa5 h GLN 316 Ca -0.49 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.22 1wa5 h GLN 316 Cb 1.91 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.55 1wa5 h GLN 316 CO -0.03 0.27 -0.38 1.15 -0.67 0.00 0.00 178.83 179.18 1wa5 h THR 317 N 0.43 0.21 0.00 -0.54 2.02 -1.41 0.11 112.91 113.72 1wa5 h THR 317 Ca 0.20 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.26 1wa5 h THR 317 Cb 0.13 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1wa5 h THR 317 CO -0.15 0.00 -0.59 1.55 0.37 0.00 0.00 175.52 176.70 1wa5 h PRO 318 N -0.57 0.00 -0.57 6.66 0.13 -1.74 -1.53 132.00 134.38 1wa5 h PRO 318 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1wa5 h PRO 318 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1wa5 h PRO 318 CO -0.27 0.59 0.17 0.00 -0.23 0.00 0.00 178.00 178.26 1wa5 h ALA 319 N 1.41 0.75 -0.48 -0.56 0.00 -1.04 -0.54 119.26 118.81 1wa5 h ALA 319 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1wa5 h ALA 319 Cb 1.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1wa5 h ALA 319 CO 0.08 0.43 -0.15 1.25 0.00 0.00 0.00 179.25 180.85 1wa5 h LEU 320 N 0.81 0.94 -0.28 0.00 5.85 -0.71 -0.85 115.31 121.07 1wa5 h LEU 320 Ca 0.18 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1wa5 h LEU 320 Cb 0.30 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1wa5 h LEU 320 CO -0.00 1.08 0.08 -0.09 -0.34 0.00 0.00 178.44 179.17 1wa5 h ARG 321 N 0.82 0.19 -0.53 1.25 9.65 -0.88 0.29 114.38 125.17 1wa5 h ARG 321 Ca 0.12 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.87 1wa5 h ARG 321 Cb 0.70 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.22 1wa5 h ARG 321 CO 0.05 0.13 -0.15 0.00 2.80 0.00 0.00 179.97 182.80 1wa5 h ALA 322 N 1.19 0.73 -0.66 2.80 0.00 -0.84 -1.96 119.26 120.52 1wa5 h ALA 322 Ca 0.13 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1wa5 h ALA 322 Cb 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1wa5 h ALA 322 CO -0.15 0.68 0.14 0.28 0.00 0.00 0.00 179.25 180.20 1wa5 h VAL 323 N 0.91 1.26 -0.76 0.00 2.07 -0.74 -2.11 116.25 116.87 1wa5 h VAL 323 Ca 0.13 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1wa5 h VAL 323 Cb 0.73 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1wa5 h VAL 323 CO 0.06 0.37 0.48 1.23 0.02 0.00 0.00 177.57 179.72 1wa5 h GLY 324 N 1.06 1.10 1.53 2.17 0.00 -0.16 -2.48 103.07 106.28 1wa5 h GLY 324 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 1wa5 h GLY 324 CO 0.01 0.43 -0.01 3.43 0.00 0.00 0.00 176.54 180.40 1wa5 h ASN 325 N 1.04 0.55 0.69 0.19 2.35 -0.91 -2.84 115.58 116.65 1wa5 h ASN 325 Ca 0.28 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1wa5 h ASN 325 Cb -0.07 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1wa5 h ASN 325 CO -0.05 0.63 -0.25 0.40 -1.65 0.00 0.00 177.43 176.50 1wa5 h ILE 326 N 0.56 0.71 -0.54 2.81 1.08 -0.94 -2.89 117.51 118.30 1wa5 h ILE 326 Ca 0.12 -1.08 -0.13 0.00 -0.39 0.00 0.00 64.86 63.38 1wa5 h ILE 326 Cb 0.37 1.68 -0.08 0.00 -3.07 0.00 0.00 36.82 35.72 1wa5 h ILE 326 CO 0.01 0.25 0.16 1.33 -0.69 0.00 0.00 178.15 179.21 1wa5 n VAL 327 N -3.56 2.30 0.63 1.67 0.24 -1.07 -3.71 118.33 114.83 1wa5 n VAL 327 Ca -0.01 -1.20 0.10 0.00 -2.04 0.00 0.00 64.34 61.20 1wa5 n VAL 327 Cb 0.40 -0.42 0.12 0.00 -1.47 0.00 0.00 33.84 32.46 1wa5 n VAL 327 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wa5 n THR 328 N 0.08 0.18 0.00 3.34 -2.24 -1.09 -4.62 114.28 109.92 1wa5 n THR 328 Ca 0.29 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1wa5 n THR 328 Cb 1.11 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.60 1wa5 n THR 328 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa5 n GLY 329 N 1.16 0.90 3.84 3.38 0.00 -1.24 -4.82 105.19 108.41 1wa5 n GLY 329 Ca 0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 1wa5 n GLY 329 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wa5 n ASN 330 N 0.00 2.12 -0.32 1.61 0.23 -1.26 -4.95 115.26 112.70 1wa5 n ASN 330 Ca 0.00 -2.54 -0.03 0.00 -0.53 0.00 0.00 54.58 51.48 1wa5 n ASN 330 Cb 0.00 -0.39 0.11 0.00 -2.08 0.00 0.00 39.78 37.41 1wa5 n ASN 330 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1wa5 h ASP 331 N 0.13 1.10 -0.23 0.53 3.32 -1.98 -1.45 116.42 117.83 1wa5 h ASP 331 Ca -0.27 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 1wa5 h ASP 331 Cb 1.23 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1wa5 h ASP 331 CO 0.39 0.88 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.69 1wa5 h LEU 332 N 1.23 0.43 -1.33 1.55 4.07 -1.99 -0.07 115.31 119.19 1wa5 h LEU 332 Ca 0.31 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1wa5 h LEU 332 Cb 0.03 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 1wa5 h LEU 332 CO -0.05 0.67 0.26 1.56 -1.08 0.00 0.00 178.44 179.80 1wa5 h GLN 333 N 0.18 0.72 -0.18 1.13 4.20 -1.90 -1.89 115.11 117.38 1wa5 h GLN 333 Ca 0.06 -0.08 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 1wa5 h GLN 333 Cb 0.47 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1wa5 h GLN 333 CO 0.02 0.55 -0.56 1.15 -0.67 0.00 0.00 178.83 179.32 1wa5 h THR 334 N 0.72 1.32 -0.11 -0.54 2.02 -1.00 -3.01 112.91 112.32 1wa5 h THR 334 Ca 0.18 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.52 1wa5 h THR 334 Cb 0.06 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1wa5 h THR 334 CO -0.03 0.56 -0.09 -0.61 0.37 0.00 0.00 175.52 175.73 1wa5 h GLN 335 N 0.41 0.16 -0.88 6.66 5.75 -0.22 -1.11 115.11 125.89 1wa5 h GLN 335 Ca 0.01 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1wa5 h GLN 335 Cb 1.10 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.58 1wa5 h GLN 335 CO 0.10 0.26 0.46 0.28 -2.65 0.00 0.00 178.83 177.28 1wa5 h VAL 336 N 0.16 1.26 -0.18 2.39 2.07 -1.30 0.36 116.25 121.01 1wa5 h VAL 336 Ca 0.04 -0.68 -0.18 0.00 0.82 0.00 0.00 66.70 66.69 1wa5 h VAL 336 Cb 0.26 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1wa5 h VAL 336 CO 0.01 0.30 -0.63 0.58 0.02 0.00 0.00 177.57 177.85 1wa5 h VAL 337 N 1.24 1.31 0.37 2.57 2.07 -1.35 -2.47 116.25 119.99 1wa5 h VAL 337 Ca 0.31 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 1wa5 h VAL 337 Cb 0.07 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1wa5 h VAL 337 CO -0.04 0.59 -0.18 0.40 0.02 0.00 0.00 177.57 178.36 1wa5 h ILE 338 N 0.48 0.64 -0.01 4.57 1.08 -0.63 -1.79 117.51 121.85 1wa5 h ILE 338 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1wa5 h ILE 338 Cb 1.22 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1wa5 h ILE 338 CO 0.12 0.00 0.19 0.78 -0.69 0.00 0.00 178.15 178.55 1wa5 h ASN 339 N -0.50 0.00 -0.01 1.72 2.35 -0.23 0.42 115.58 119.33 1wa5 h ASN 339 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wa5 h ASN 339 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1wa5 h ASN 339 CO 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1wa5 n ALA 340 N -2.00 2.63 -2.17 -0.83 0.00 -0.68 -4.92 120.51 112.54 1wa5 n ALA 340 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1wa5 n ALA 340 Cb 0.25 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1wa5 n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa5 n GLY 341 N 1.07 0.71 0.19 0.00 0.00 0.15 -4.83 105.19 102.47 1wa5 n GLY 341 Ca 0.21 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1wa5 n GLY 341 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wa5 h VAL 342 N 0.00 1.32 0.09 1.61 3.04 -1.61 -3.30 116.25 117.41 1wa5 h VAL 342 Ca 0.00 -1.60 0.01 0.00 -1.01 0.00 0.00 66.70 64.11 1wa5 h VAL 342 Cb 0.96 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 31.96 1wa5 h VAL 342 CO 0.00 0.48 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.80 1wa5 h LEU 343 N 0.19 -0.47 -1.50 3.16 3.38 -1.87 0.25 115.31 118.46 1wa5 h LEU 343 Ca 0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1wa5 h LEU 343 Cb 0.86 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1wa5 h LEU 343 CO 0.07 -0.24 0.36 -0.65 0.09 0.00 0.00 178.44 178.07 1wa5 h PRO 344 N -0.32 0.65 -0.35 1.13 0.11 -1.90 0.48 132.00 131.81 1wa5 h PRO 344 Ca 0.03 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1wa5 h PRO 344 Cb 0.35 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1wa5 h PRO 344 CO -0.10 0.43 -0.14 0.00 -0.21 0.00 0.00 178.00 177.98 1wa5 h ALA 345 N 1.67 0.48 -0.54 -0.75 0.00 -1.45 -2.97 119.26 115.71 1wa5 h ALA 345 Ca 0.21 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1wa5 h ALA 345 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1wa5 h ALA 345 CO -0.05 0.38 0.09 -0.07 0.00 0.00 0.00 179.25 179.60 1wa5 h LEU 346 N 0.49 0.80 -0.39 0.00 3.38 0.39 -2.84 115.31 117.14 1wa5 h LEU 346 Ca 0.08 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1wa5 h LEU 346 Cb 0.67 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1wa5 h LEU 346 CO 0.05 0.81 -0.24 -0.09 0.09 0.00 0.00 178.44 179.05 1wa5 h ARG 347 N 0.81 -0.17 -0.73 1.13 2.43 -0.77 -1.39 114.38 115.68 1wa5 h ARG 347 Ca 0.17 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1wa5 h ARG 347 Cb 0.35 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1wa5 h ARG 347 CO 0.01 -0.11 0.26 -0.07 -1.51 0.00 0.00 179.97 178.55 1wa5 h LEU 348 N -0.18 1.01 -1.70 3.80 3.38 -1.49 -2.68 115.31 117.46 1wa5 h LEU 348 Ca 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wa5 h LEU 348 Cb 0.47 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1wa5 h LEU 348 CO -0.49 0.92 -0.18 -0.07 0.09 0.00 0.00 178.44 178.70 1wa5 h LEU 349 N 1.06 0.00 -2.46 1.67 3.38 -1.07 -0.63 115.31 117.27 1wa5 h LEU 349 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1wa5 h LEU 349 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wa5 h LEU 349 CO -0.02 0.18 -0.03 -0.07 0.09 0.00 0.00 178.44 178.60 1wa5 h LEU 350 N 0.00 0.00 -2.10 1.67 3.38 -0.93 0.11 115.31 117.44 1wa5 h LEU 350 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wa5 h LEU 350 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wa5 h LEU 350 CO 0.02 0.03 0.00 -1.20 0.09 0.00 0.00 178.44 177.38 1wa5 n SER 351 N -3.43 3.14 -4.75 -0.43 7.64 -0.25 -4.86 113.62 110.68 1wa5 n SER 351 Ca -0.02 -1.95 -0.39 0.00 1.01 0.00 0.00 58.87 57.52 1wa5 n SER 351 Cb 0.13 -0.23 0.04 0.00 -1.01 0.00 0.00 64.21 63.14 1wa5 n SER 351 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wa5 s SER 352 N -1.48 5.31 0.23 6.43 0.15 0.39 -4.91 113.70 119.82 1wa5 s SER 352 Ca 0.38 2.80 0.23 0.00 0.70 0.00 0.00 55.95 60.05 1wa5 s SER 352 Cb 0.22 -2.64 0.93 0.00 -1.71 0.00 0.00 66.02 62.82 1wa5 s SER 352 CO 0.31 -1.55 1.69 -2.65 1.20 0.00 0.00 173.24 172.24 1wa5 n PRO 353 N -0.96 0.18 -3.53 5.44 -0.02 -1.26 -4.61 135.00 130.24 1wa5 n PRO 353 Ca 0.10 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 1wa5 n PRO 353 Cb 0.45 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 1wa5 n PRO 353 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1wa5 s LYS 354 N -3.27 3.89 0.26 -0.52 -0.14 -1.26 -4.97 119.74 113.73 1wa5 s LYS 354 Ca 0.05 -0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 54.36 1wa5 s LYS 354 Cb 0.10 -3.69 0.48 0.00 -1.68 0.00 0.00 37.83 33.04 1wa5 s LYS 354 CO 0.39 -0.26 1.80 1.49 -0.76 0.00 0.00 175.35 178.02 1wa5 h GLU 355 N 8.35 0.77 -0.45 1.68 4.57 -2.00 -1.31 114.58 126.20 1wa5 h GLU 355 Ca -0.33 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1wa5 h GLU 355 Cb 1.18 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1wa5 h GLU 355 CO 0.59 0.51 0.30 -0.97 -1.18 0.00 0.00 179.01 178.26 1wa5 h ASN 356 N 0.80 0.49 -0.28 1.04 -0.73 -1.96 0.28 115.58 115.22 1wa5 h ASN 356 Ca 0.44 -0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.48 1wa5 h ASN 356 Cb 0.48 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 1wa5 h ASN 356 CO -0.28 0.36 -0.29 0.40 -0.37 0.00 0.00 177.43 177.24 1wa5 h ILE 357 N 0.58 1.30 -0.19 2.57 1.08 -1.62 -0.87 117.51 120.37 1wa5 h ILE 357 Ca 0.17 -1.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1wa5 h ILE 357 Cb -0.04 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1wa5 h ILE 357 CO -0.04 0.46 0.11 0.11 -0.69 0.00 0.00 178.15 178.10 1wa5 h LYS 358 N 0.42 0.27 -0.24 2.37 1.57 -1.04 0.23 116.57 120.14 1wa5 h LYS 358 Ca 0.04 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1wa5 h LYS 358 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1wa5 h LYS 358 CO 0.07 0.25 0.05 -0.22 -0.57 0.00 0.00 179.45 179.03 1wa5 h LYS 359 N 0.21 0.15 -0.11 3.15 3.64 -0.90 -0.46 116.57 122.25 1wa5 h LYS 359 Ca 0.07 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1wa5 h LYS 359 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1wa5 h LYS 359 CO -0.01 0.10 -0.33 0.93 -2.27 0.00 0.00 179.45 177.86 1wa5 h GLU 360 N 0.15 0.22 -0.38 1.90 5.08 -0.93 -1.45 114.58 119.16 1wa5 h GLU 360 Ca 0.11 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1wa5 h GLU 360 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1wa5 h GLU 360 CO -0.14 0.54 0.06 0.00 -1.00 0.00 0.00 179.01 178.47 1wa5 h ALA 361 N 1.46 0.51 -0.49 3.43 0.00 0.08 -0.85 119.26 123.40 1wa5 h ALA 361 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wa5 h ALA 361 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1wa5 h ALA 361 CO 0.05 0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.70 1wa5 h TRP 363 N 0.66 1.17 -0.22 0.00 7.01 -1.08 0.44 115.95 123.92 1wa5 h TRP 363 Ca 0.16 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1wa5 h TRP 363 Cb 0.22 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1wa5 h TRP 363 CO 0.01 0.67 0.01 1.15 -2.79 0.00 0.00 178.44 177.48 1wa5 h THR 364 N 1.20 1.25 -0.81 2.65 2.02 -0.82 -1.93 112.91 116.48 1wa5 h THR 364 Ca 0.38 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1wa5 h THR 364 Cb 0.01 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1wa5 h THR 364 CO -0.13 0.27 0.52 0.40 0.37 0.00 0.00 175.52 176.95 1wa5 h ILE 365 N 0.16 1.21 -0.29 3.11 2.04 -0.49 -1.96 117.51 121.30 1wa5 h ILE 365 Ca 0.06 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1wa5 h ILE 365 Cb 0.39 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1wa5 h ILE 365 CO 0.01 0.21 0.20 0.77 0.00 0.00 0.00 178.15 179.34 1wa5 h SER 366 N 1.10 0.16 1.42 1.72 4.64 0.24 0.25 113.55 123.08 1wa5 h SER 366 Ca 0.29 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1wa5 h SER 366 Cb -0.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1wa5 h SER 366 CO -0.06 0.11 -0.26 0.78 -0.87 0.00 0.00 176.83 176.53 1wa5 h ASN 367 N 0.18 0.00 0.13 4.97 2.35 -0.62 -3.09 115.58 119.51 1wa5 h ASN 367 Ca 0.13 -0.05 -0.26 0.00 -0.55 0.00 0.00 56.30 55.57 1wa5 h ASN 367 Cb 0.28 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1wa5 h ASN 367 CO -0.02 0.02 -1.27 0.40 -1.65 0.00 0.00 177.43 174.91 1wa5 h ILE 368 N 0.00 1.17 0.00 2.81 2.04 -0.15 -3.26 117.51 120.12 1wa5 h ILE 368 Ca 0.00 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1wa5 h ILE 368 Cb 0.84 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 1wa5 h ILE 368 CO 0.00 0.72 0.00 0.35 0.00 0.00 0.00 178.15 179.22 1wa5 n THR 369 N -3.95 0.00 0.57 -0.27 -2.24 0.42 -0.57 114.28 108.23 1wa5 n THR 369 Ca -0.21 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1wa5 n THR 369 Cb 0.90 -0.73 0.27 0.00 -2.10 0.00 0.00 70.33 68.67 1wa5 n THR 369 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wa5 n ALA 370 N -0.96 2.45 -1.70 6.98 0.00 -1.17 -3.41 120.51 122.70 1wa5 n ALA 370 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1wa5 n ALA 370 Cb 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1wa5 n ALA 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa5 n GLY 371 N 1.36 1.50 3.94 0.00 0.00 0.26 -4.69 105.19 107.56 1wa5 n GLY 371 Ca 0.18 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1wa5 n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa5 s ASN 372 N -1.00 3.86 0.22 1.61 2.20 -1.26 -4.84 114.94 115.74 1wa5 s ASN 372 Ca 0.00 0.23 -0.09 0.00 -0.94 0.00 0.00 52.86 52.06 1wa5 s ASN 372 Cb 0.00 -0.51 0.35 0.00 -2.00 0.00 0.00 41.25 39.09 1wa5 s ASN 372 CO 0.00 -2.24 1.67 0.74 -2.94 0.00 0.00 177.10 174.33 1wa5 h THR 373 N -1.14 0.48 -0.41 0.54 2.02 -1.98 -0.71 112.91 111.71 1wa5 h THR 373 Ca -0.43 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1wa5 h THR 373 Cb 1.27 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1wa5 h THR 373 CO 0.46 0.03 0.05 -0.33 0.37 0.00 0.00 175.52 176.09 1wa5 h GLU 374 N 0.15 0.70 -0.54 6.66 5.08 -1.99 -0.98 114.58 123.66 1wa5 h GLU 374 Ca 0.36 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1wa5 h GLU 374 Cb 0.59 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1wa5 h GLU 374 CO -0.54 0.75 0.18 1.96 -1.00 0.00 0.00 179.01 180.36 1wa5 h GLN 375 N 0.54 0.80 -0.41 2.33 4.20 -1.73 0.73 115.11 121.58 1wa5 h GLN 375 Ca 0.12 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1wa5 h GLN 375 Cb 0.41 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1wa5 h GLN 375 CO 0.01 0.69 -0.25 0.82 -0.67 0.00 0.00 178.83 179.43 1wa5 h ILE 376 N 0.78 1.28 -0.82 2.54 2.04 -0.94 -2.63 117.51 119.76 1wa5 h ILE 376 Ca 0.18 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1wa5 h ILE 376 Cb 0.21 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1wa5 h ILE 376 CO -0.01 0.47 0.52 -0.61 0.00 0.00 0.00 178.15 178.52 1wa5 h GLN 377 N 0.72 1.10 -0.55 2.37 5.75 -0.50 -1.85 115.11 122.15 1wa5 h GLN 377 Ca 0.09 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1wa5 h GLN 377 Cb 0.83 -0.24 -0.06 0.00 1.07 0.00 0.00 27.48 29.08 1wa5 h GLN 377 CO 0.07 0.76 0.22 0.00 -2.65 0.00 0.00 178.83 177.23 1wa5 h ALA 378 N 1.28 0.69 -0.26 3.38 0.00 -0.68 0.79 119.26 124.46 1wa5 h ALA 378 Ca 0.30 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1wa5 h ALA 378 Cb -0.08 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wa5 h ALA 378 CO -0.06 -0.17 0.15 0.28 0.00 0.00 0.00 179.25 179.45 1wa5 h VAL 379 N 0.42 1.02 -0.33 0.00 2.07 -1.05 0.99 116.25 119.37 1wa5 h VAL 379 Ca 0.26 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1wa5 h VAL 379 Cb 0.27 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1wa5 h VAL 379 CO -0.25 0.06 0.19 0.40 0.02 0.00 0.00 177.57 177.99 1wa5 h ILE 380 N 0.30 1.13 -0.44 4.57 5.03 -0.50 -2.60 117.51 125.00 1wa5 h ILE 380 Ca 0.10 -0.32 0.04 0.00 -0.12 0.00 0.00 64.86 64.56 1wa5 h ILE 380 Cb 0.01 0.75 -0.02 0.00 -3.03 0.00 0.00 36.82 34.52 1wa5 h ILE 380 CO -0.06 0.13 0.30 0.44 -0.68 0.00 0.00 178.15 178.28 1wa5 h ASP 381 N 0.41 0.38 0.00 1.72 3.32 0.13 0.42 116.42 122.80 1wa5 h ASP 381 Ca 0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wa5 h ASP 381 Cb 0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1wa5 h ASP 381 CO -0.02 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1wa5 n ALA 382 N -2.50 2.55 -3.56 3.45 0.00 0.28 -4.88 120.51 115.86 1wa5 n ALA 382 Ca 0.05 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 1wa5 n ALA 382 Cb 0.19 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.48 1wa5 n ALA 382 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wa5 n ASN 383 N -0.73 -5.19 0.08 0.00 5.15 0.14 -4.86 115.26 109.84 1wa5 n ASN 383 Ca 0.11 -0.56 0.01 0.00 -0.60 0.00 0.00 54.58 53.54 1wa5 n ASN 383 Cb 0.05 -5.05 -0.04 0.00 -0.53 0.00 0.00 39.78 34.21 1wa5 n ASN 383 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1wa5 h LEU 384 N -2.49 0.00 0.08 1.20 3.38 -1.67 -3.39 115.31 112.43 1wa5 h LEU 384 Ca -0.58 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.41 1wa5 h LEU 384 Cb 1.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1wa5 h LEU 384 CO 0.54 0.52 -0.15 0.40 0.09 0.00 0.00 178.44 179.85 1wa5 h ILE 385 N 0.00 0.65 -0.72 1.22 1.08 -1.86 -2.24 117.51 115.64 1wa5 h ILE 385 Ca -0.09 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.53 1wa5 h ILE 385 Cb 1.48 0.65 -0.11 0.00 -3.07 0.00 0.00 36.82 35.77 1wa5 h ILE 385 CO 0.05 0.00 0.14 -0.65 -0.69 0.00 0.00 178.15 177.01 1wa5 h PRO 386 N -0.30 0.23 -0.12 2.37 0.11 -1.94 0.31 132.00 132.67 1wa5 h PRO 386 Ca 0.02 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1wa5 h PRO 386 Cb 0.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1wa5 h PRO 386 CO -0.09 0.15 -0.50 -1.00 -0.21 0.00 0.00 178.00 176.35 1wa5 h PRO 387 N 0.24 0.33 -0.02 1.05 0.13 -1.77 -1.90 132.00 130.05 1wa5 h PRO 387 Ca 0.40 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1wa5 h PRO 387 Cb 0.68 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1wa5 h PRO 387 CO -0.52 0.76 0.01 1.25 -0.23 0.00 0.00 178.00 179.27 1wa5 h LEU 388 N 0.26 0.03 -1.22 1.56 5.85 -0.40 -0.77 115.31 120.62 1wa5 h LEU 388 Ca 0.01 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1wa5 h LEU 388 Cb 0.98 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1wa5 h LEU 388 CO 0.08 0.12 0.54 0.58 -0.34 0.00 0.00 178.44 179.42 1wa5 h VAL 389 N -0.06 1.11 0.03 1.05 2.07 -0.41 0.18 116.25 120.23 1wa5 h VAL 389 Ca 0.01 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1wa5 h VAL 389 Cb 0.10 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1wa5 h VAL 389 CO -0.00 0.18 -0.02 0.50 0.02 0.00 0.00 177.57 178.25 1wa5 h LYS 390 N 0.99 -0.04 -0.54 1.57 1.63 -0.89 -2.71 116.57 116.58 1wa5 h LYS 390 Ca 0.33 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.10 1wa5 h LYS 390 Cb 0.08 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1wa5 h LYS 390 CO -0.10 0.14 0.20 -0.07 -3.45 0.00 0.00 179.45 176.16 1wa5 h LEU 391 N -0.22 0.72 -2.21 5.20 3.38 -0.46 -1.01 115.31 120.72 1wa5 h LEU 391 Ca -0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1wa5 h LEU 391 Cb 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1wa5 h LEU 391 CO 0.01 0.67 0.22 0.25 0.09 0.00 0.00 178.44 179.68 1wa5 h LEU 392 N 0.78 0.00 0.00 1.67 5.85 -0.37 -0.55 115.31 122.69 1wa5 h LEU 392 Ca 0.18 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 1wa5 h LEU 392 Cb 0.19 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1wa5 h LEU 392 CO -0.01 0.00 -1.99 -1.84 -0.34 0.00 0.00 178.44 174.26 1wa5 n GLU 393 N -3.76 1.12 -0.00 1.25 0.28 -0.53 -4.78 120.64 114.22 1wa5 n GLU 393 Ca 0.02 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1wa5 n GLU 393 Cb 0.35 -1.41 -0.01 0.00 1.43 0.00 0.00 31.44 31.80 1wa5 n GLU 393 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1wa5 n VAL 394 N -2.43 0.00 -1.42 3.84 0.24 -0.50 -5.08 118.33 112.99 1wa5 n VAL 394 Ca -0.18 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.34 61.36 1wa5 n VAL 394 Cb 0.83 0.99 0.16 0.00 -1.47 0.00 0.00 33.84 34.35 1wa5 n VAL 394 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wa5 s ALA 395 N -1.12 1.45 0.63 2.33 0.00 -0.24 -5.02 121.76 119.79 1wa5 s ALA 395 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.24 1wa5 s ALA 395 Cb 0.01 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1wa5 s ALA 395 CO 0.04 -2.58 1.09 -1.21 0.00 0.00 0.00 175.76 173.10 1wa5 s GLU 396 N -5.24 3.02 0.20 0.00 2.02 -1.26 -4.62 118.70 112.81 1wa5 s GLU 396 Ca 0.65 1.31 -0.17 0.00 0.02 0.00 0.00 54.97 56.78 1wa5 s GLU 396 Cb -0.15 -1.98 0.17 0.00 0.10 0.00 0.00 34.13 32.27 1wa5 s GLU 396 CO 0.55 -1.07 1.61 -0.92 0.02 0.00 0.00 175.26 175.45 1wa5 h TYR 397 N 0.19 -0.58 -0.88 1.61 3.20 -1.97 0.20 116.97 118.73 1wa5 h TYR 397 Ca -0.47 0.06 0.12 0.00 3.14 0.00 0.00 58.73 61.58 1wa5 h TYR 397 Cb 1.24 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.78 1wa5 h TYR 397 CO 0.56 -0.32 0.57 0.87 -1.64 0.00 0.00 178.16 178.20 1wa5 h LYS 398 N -0.09 0.74 -0.00 1.82 1.57 -1.99 0.18 116.57 118.79 1wa5 h LYS 398 Ca 0.26 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1wa5 h LYS 398 Cb 0.50 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1wa5 h LYS 398 CO -0.63 0.49 -0.11 1.15 -0.57 0.00 0.00 179.45 179.78 1wa5 h THR 399 N 0.76 1.58 -0.49 -0.16 2.02 -1.50 -3.14 112.91 111.98 1wa5 h THR 399 Ca 0.42 -1.85 0.10 0.00 0.77 0.00 0.00 66.41 65.86 1wa5 h THR 399 Cb 0.58 2.78 -0.09 0.00 -1.74 0.00 0.00 68.15 69.67 1wa5 h THR 399 CO -0.19 0.49 -0.14 0.11 0.37 0.00 0.00 175.52 176.17 1wa5 h LYS 400 N -0.64 -0.02 -0.99 6.66 1.57 -0.11 -0.24 116.57 122.81 1wa5 h LYS 400 Ca -0.01 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.00 1wa5 h LYS 400 Cb 0.86 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.09 1wa5 h LYS 400 CO 0.02 -0.01 0.63 -0.22 -0.57 0.00 0.00 179.45 179.30 1wa5 h LYS 401 N -0.02 0.49 0.18 3.15 3.64 -0.75 0.26 116.57 123.52 1wa5 h LYS 401 Ca 0.23 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.28 1wa5 h LYS 401 Cb 0.37 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1wa5 h LYS 401 CO -0.51 0.32 -1.34 1.49 -2.27 0.00 0.00 179.45 177.15 1wa5 h GLU 402 N 0.50 0.43 -0.32 1.90 4.57 -1.04 -2.76 114.58 117.87 1wa5 h GLU 402 Ca 0.56 -0.70 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 1wa5 h GLU 402 Cb 1.24 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 30.07 1wa5 h GLU 402 CO -0.29 1.33 0.02 0.00 -1.18 0.00 0.00 179.01 178.89 1wa5 h ALA 403 N 0.38 1.44 -0.21 2.92 0.00 0.11 -2.00 119.26 121.90 1wa5 h ALA 403 Ca -0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wa5 h ALA 403 Cb 2.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1wa5 h ALA 403 CO 0.24 0.40 0.08 0.00 0.00 0.00 0.00 179.25 179.97 1wa5 h TRP 405 N 0.18 1.11 0.21 0.00 4.06 -1.16 0.19 115.95 120.54 1wa5 h TRP 405 Ca 0.07 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 1wa5 h TRP 405 Cb 0.19 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 27.99 1wa5 h TRP 405 CO -0.01 0.59 -0.10 0.00 -3.56 0.00 0.00 178.44 175.36 1wa5 h ALA 406 N 1.49 -0.28 -0.88 1.49 0.00 -1.00 0.45 119.26 120.52 1wa5 h ALA 406 Ca 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1wa5 h ALA 406 Cb 0.16 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1wa5 h ALA 406 CO -0.15 -0.54 0.48 0.82 0.00 0.00 0.00 179.25 179.87 1wa5 h ILE 407 N -0.53 1.25 -0.25 0.00 2.04 -1.01 -1.91 117.51 117.11 1wa5 h ILE 407 Ca -0.03 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1wa5 h ILE 407 Cb 0.40 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1wa5 h ILE 407 CO 0.05 0.29 0.09 -1.28 0.00 0.00 0.00 178.15 177.29 1wa5 h SER 408 N 1.23 0.36 -0.43 1.72 0.87 -0.50 -1.57 113.55 115.23 1wa5 h SER 408 Ca 0.31 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1wa5 h SER 408 Cb 0.03 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1wa5 h SER 408 CO -0.05 0.45 0.11 0.78 -0.53 0.00 0.00 176.83 177.59 1wa5 h ASN 409 N 0.25 0.70 -0.63 6.23 2.35 -0.75 -1.68 115.58 122.04 1wa5 h ASN 409 Ca 0.08 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1wa5 h ASN 409 Cb 0.22 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1wa5 h ASN 409 CO -0.00 0.70 0.23 0.00 -1.65 0.00 0.00 177.43 176.71 1wa5 h ALA 410 N 1.39 0.83 0.00 -0.83 0.00 -1.11 -2.18 119.26 117.36 1wa5 h ALA 410 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1wa5 h ALA 410 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wa5 h ALA 410 CO -0.00 0.47 -0.15 0.66 0.00 0.00 0.00 179.25 180.23 1wa5 h SER 411 N 0.90 0.00 0.66 0.00 4.64 -0.58 0.32 113.55 119.48 1wa5 h SER 411 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1wa5 h SER 411 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1wa5 h SER 411 CO -0.01 0.15 0.00 -1.28 -0.87 0.00 0.00 176.83 174.82 1wa5 h SER 412 N 0.00 0.00 0.36 4.97 0.87 -0.66 -0.53 113.55 118.55 1wa5 h SER 412 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wa5 h SER 412 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1wa5 h SER 412 CO 0.02 0.00 -0.83 0.61 -0.53 0.00 0.00 176.83 176.10 1wa5 n GLY 413 N -0.33 -1.18 0.00 5.77 0.00 0.11 -3.77 105.19 105.79 1wa5 n GLY 413 Ca -0.00 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1wa5 n GLY 413 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa5 n GLY 414 N 1.45 -0.96 0.68 -0.02 0.00 -0.21 -2.88 105.19 103.25 1wa5 n GLY 414 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.93 1wa5 n GLY 414 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wa5 n LEU 415 N -1.12 1.80 0.00 0.99 4.77 -1.24 -3.02 117.00 119.18 1wa5 n LEU 415 Ca 0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1wa5 n LEU 415 Cb 0.14 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1wa5 n LEU 415 CO 0.17 0.31 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 1wa5 n GLN 416 N 0.13 3.08 -3.24 3.23 6.02 -1.14 -4.96 117.38 120.50 1wa5 n GLN 416 Ca 0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.81 1wa5 n GLN 416 Cb 0.38 -0.33 -0.07 0.00 1.02 0.00 0.00 30.24 31.24 1wa5 n GLN 416 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wa5 n ARG 417 N -0.11 1.18 -0.25 -1.09 1.74 -1.18 -4.99 116.66 111.96 1wa5 n ARG 417 Ca 0.00 -3.59 0.22 0.00 -0.77 0.00 0.00 57.85 53.71 1wa5 n ARG 417 Cb 0.00 -1.49 0.39 0.00 -1.02 0.00 0.00 32.46 30.34 1wa5 n ARG 417 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1wa5 n PRO 418 N 1.20 -0.03 0.31 5.56 -0.02 -1.17 0.26 135.00 141.12 1wa5 n PRO 418 Ca 0.23 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.70 1wa5 n PRO 418 Cb 0.51 -1.51 1.00 0.00 -0.02 0.00 0.00 33.50 33.47 1wa5 n PRO 418 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wa5 h ASP 419 N 0.00 0.00 -0.10 2.55 3.32 -1.94 -0.12 116.42 120.13 1wa5 h ASP 419 Ca 0.53 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.57 1wa5 h ASP 419 Cb 1.58 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.13 1wa5 h ASP 419 CO -0.36 0.02 0.01 0.40 -1.72 0.00 0.00 179.24 177.59 1wa5 h ILE 420 N 0.00 1.23 -0.41 0.35 2.04 0.32 -1.10 117.51 119.94 1wa5 h ILE 420 Ca -0.00 -0.73 -0.13 0.00 1.00 0.00 0.00 64.86 65.00 1wa5 h ILE 420 Cb 0.12 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1wa5 h ILE 420 CO 0.00 0.21 -0.25 0.40 0.00 0.00 0.00 178.15 178.51 1wa5 h ILE 421 N -0.09 1.27 -0.94 -0.67 2.04 -1.19 -0.99 117.51 116.94 1wa5 h ILE 421 Ca 0.03 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1wa5 h ILE 421 Cb 0.32 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1wa5 h ILE 421 CO 0.00 0.47 0.60 0.03 0.00 0.00 0.00 178.15 179.25 1wa5 h ARG 422 N 0.73 1.26 -0.49 2.37 3.08 -1.09 0.22 114.38 120.47 1wa5 h ARG 422 Ca 0.09 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1wa5 h ARG 422 Cb 0.80 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1wa5 h ARG 422 CO 0.07 0.86 0.04 -0.92 -1.07 0.00 0.00 179.97 178.94 1wa5 h TYR 423 N 1.29 0.90 0.27 3.04 3.20 -0.92 0.15 116.97 124.90 1wa5 h TYR 423 Ca 0.34 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1wa5 h TYR 423 Cb -0.11 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1wa5 h TYR 423 CO -0.00 0.84 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.11 1wa5 h LEU 424 N 0.70 -0.45 -0.85 2.82 3.38 -0.08 -2.09 115.31 118.74 1wa5 h LEU 424 Ca 0.14 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.22 1wa5 h LEU 424 Cb 0.46 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1wa5 h LEU 424 CO 0.02 -0.28 0.52 0.58 0.09 0.00 0.00 178.44 179.36 1wa5 h VAL 425 N -0.44 1.00 -0.48 1.22 2.07 -0.54 -1.30 116.25 117.78 1wa5 h VAL 425 Ca -0.02 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 67.32 1wa5 h VAL 425 Cb 0.37 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1wa5 h VAL 425 CO 0.01 0.17 0.35 -1.28 0.02 0.00 0.00 177.57 176.84 1wa5 h SER 426 N 0.92 0.00 -0.29 0.57 0.87 -0.05 -0.04 113.55 115.54 1wa5 h SER 426 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1wa5 h SER 426 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1wa5 h SER 426 CO -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.10 1wa5 n GLN 427 N -4.37 1.79 -2.68 2.24 1.13 -0.50 -4.93 117.38 110.06 1wa5 n GLN 427 Ca 0.08 -1.22 -0.09 0.00 -1.94 0.00 0.00 57.00 53.84 1wa5 n GLN 427 Cb 0.56 -1.33 0.02 0.00 0.11 0.00 0.00 30.24 29.60 1wa5 n GLN 427 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wa5 n GLY 428 N 1.10 0.27 0.18 1.08 0.00 -0.03 -4.95 105.19 102.84 1wa5 n GLY 428 Ca 0.14 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1wa5 n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa5 h ILE 430 N 0.00 0.55 0.38 0.00 2.04 -1.85 -1.79 117.51 116.83 1wa5 h ILE 430 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1wa5 h ILE 430 Cb 1.10 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1wa5 h ILE 430 CO 0.04 0.00 -0.37 0.50 0.00 0.00 0.00 178.15 178.32 1wa5 h LYS 431 N -0.45 -0.74 -0.88 2.37 1.63 -1.93 -0.59 116.57 115.98 1wa5 h LYS 431 Ca -0.00 0.05 0.10 0.00 -0.85 0.00 0.00 60.65 59.95 1wa5 h LYS 431 Cb 0.42 0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 32.15 1wa5 h LYS 431 CO -0.05 -0.49 0.57 -1.00 -3.45 0.00 0.00 179.45 175.03 1wa5 h PRO 432 N -0.77 0.85 -0.22 1.90 0.13 -1.73 0.23 132.00 132.39 1wa5 h PRO 432 Ca -0.03 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1wa5 h PRO 432 Cb 0.69 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1wa5 h PRO 432 CO -0.06 0.56 0.12 -0.07 -0.23 0.00 0.00 178.00 178.31 1wa5 h LEU 433 N 0.87 0.29 -0.60 1.56 3.38 -1.00 -1.97 115.31 117.83 1wa5 h LEU 433 Ca 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1wa5 h LEU 433 Cb 0.42 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1wa5 h LEU 433 CO -0.17 0.31 0.34 0.00 0.09 0.00 0.00 178.44 179.00 1wa5 h ASP 435 N 0.82 1.07 -0.15 0.00 3.32 -0.80 -1.89 116.42 118.78 1wa5 h ASP 435 Ca 0.21 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1wa5 h ASP 435 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1wa5 h ASP 435 CO -0.04 0.74 0.12 0.25 -1.72 0.00 0.00 179.24 178.59 1wa5 h LEU 436 N 1.24 0.00 -2.00 1.55 5.85 -0.87 -1.92 115.31 119.16 1wa5 h LEU 436 Ca 0.39 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.22 1wa5 h LEU 436 Cb -0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1wa5 h LEU 436 CO -0.12 0.00 0.28 -0.07 -0.34 0.00 0.00 178.44 178.19 1wa5 h LEU 437 N 0.00 0.00 -0.48 2.25 3.38 -1.26 -1.36 115.31 117.84 1wa5 h LEU 437 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wa5 h LEU 437 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wa5 h LEU 437 CO -0.00 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.20 1wa5 h GLU 438 N 0.00 0.00 0.00 1.13 5.08 -1.48 -3.39 114.58 115.92 1wa5 h GLU 438 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wa5 h GLU 438 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1wa5 h GLU 438 CO -0.00 0.00 -0.87 0.44 -1.00 0.00 0.00 179.01 177.58 1wa5 n ILE 439 N -2.87 0.00 -1.11 3.13 -5.35 -0.78 -5.10 119.36 107.27 1wa5 n ILE 439 Ca 0.03 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.17 1wa5 n ILE 439 Cb 0.42 -0.84 0.10 0.00 -1.74 0.00 0.00 39.64 37.59 1wa5 n ILE 439 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wa5 n ALA 440 N -1.79 -1.17 -1.39 -1.28 0.00 -0.58 -5.00 120.51 109.29 1wa5 n ALA 440 Ca 0.00 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.80 1wa5 n ALA 440 Cb 0.42 -1.99 0.13 0.00 0.00 0.00 0.00 19.45 18.01 1wa5 n ALA 440 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wa5 s ASP 441 N -1.82 3.59 0.36 0.00 1.47 -1.26 -4.71 116.67 114.29 1wa5 s ASP 441 Ca 0.67 1.22 0.09 0.00 1.18 0.00 0.00 52.55 55.71 1wa5 s ASP 441 Cb -0.30 -1.88 0.82 0.00 -0.34 0.00 0.00 42.92 41.22 1wa5 s ASP 441 CO 0.57 -2.53 1.88 0.78 0.68 0.00 0.00 175.17 176.55 1wa5 h ASN 442 N -1.48 0.64 -0.19 2.11 2.35 -1.99 -1.10 115.58 115.92 1wa5 h ASN 442 Ca -0.50 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.27 1wa5 h ASN 442 Cb 1.30 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1wa5 h ASN 442 CO 0.59 0.33 0.04 -0.09 -1.65 0.00 0.00 177.43 176.65 1wa5 h ARG 443 N 0.68 0.30 0.00 0.81 9.65 -2.00 -2.18 114.38 121.64 1wa5 h ARG 443 Ca 0.43 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 59.18 1wa5 h ARG 443 Cb 0.68 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1wa5 h ARG 443 CO -0.19 0.44 -0.28 0.82 2.80 0.00 0.00 179.97 183.56 1wa5 h ILE 444 N 0.11 1.14 -0.08 1.20 1.08 -1.73 -1.64 117.51 117.59 1wa5 h ILE 444 Ca 0.06 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 1wa5 h ILE 444 Cb 0.27 1.53 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1wa5 h ILE 444 CO 0.00 0.27 0.03 0.40 -0.69 0.00 0.00 178.15 178.16 1wa5 h ILE 445 N 0.00 1.15 -0.88 -0.67 2.04 -0.96 -0.29 117.51 117.90 1wa5 h ILE 445 Ca -0.00 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1wa5 h ILE 445 Cb 0.51 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1wa5 h ILE 445 CO 0.04 0.13 0.58 -0.08 0.00 0.00 0.00 178.15 178.82 1wa5 h GLU 446 N -0.04 1.17 -0.54 2.37 4.81 -0.93 0.20 114.58 121.62 1wa5 h GLU 446 Ca 0.03 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1wa5 h GLU 446 Cb 0.18 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1wa5 h GLU 446 CO -0.00 0.78 0.03 0.28 -0.73 0.00 0.00 179.01 179.37 1wa5 h VAL 447 N 1.20 1.25 -0.13 0.32 2.07 -1.12 -1.33 116.25 118.50 1wa5 h VAL 447 Ca 0.32 -1.01 -0.19 0.00 0.82 0.00 0.00 66.70 66.64 1wa5 h VAL 447 Cb -0.13 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1wa5 h VAL 447 CO -0.07 0.36 -0.70 0.74 0.02 0.00 0.00 177.57 177.93 1wa5 h THR 448 N 0.83 1.34 -0.12 2.57 2.02 -0.38 -2.50 112.91 116.67 1wa5 h THR 448 Ca 0.16 -2.00 -0.10 0.00 0.77 0.00 0.00 66.41 65.23 1wa5 h THR 448 Cb 0.45 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1wa5 h THR 448 CO 0.02 0.62 -0.39 -0.07 0.37 0.00 0.00 175.52 176.06 1wa5 h LEU 449 N 0.39 0.26 -0.43 2.58 3.38 -0.84 -1.47 115.31 119.18 1wa5 h LEU 449 Ca -0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wa5 h LEU 449 Cb 1.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1wa5 h LEU 449 CO 0.13 0.64 0.26 0.44 0.09 0.00 0.00 178.44 179.99 1wa5 h ASP 450 N 0.21 0.53 -0.10 -0.43 3.32 -1.05 0.67 116.42 119.58 1wa5 h ASP 450 Ca 0.02 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1wa5 h ASP 450 Cb 0.79 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1wa5 h ASP 450 CO 0.06 0.44 0.04 0.00 -1.72 0.00 0.00 179.24 178.06 1wa5 h ALA 451 N 1.11 0.13 -0.70 3.45 0.00 -1.12 -1.35 119.26 120.78 1wa5 h ALA 451 Ca 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wa5 h ALA 451 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1wa5 h ALA 451 CO -0.03 -0.30 0.31 -0.07 0.00 0.00 0.00 179.25 179.16 1wa5 h LEU 452 N 0.01 0.92 -0.35 0.00 3.38 -1.11 -0.91 115.31 117.25 1wa5 h LEU 452 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wa5 h LEU 452 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1wa5 h LEU 452 CO -0.00 0.80 0.16 -0.08 0.09 0.00 0.00 178.44 179.41 1wa5 h GLU 453 N 1.00 0.51 -0.89 1.13 4.81 -0.66 0.04 114.58 120.52 1wa5 h GLU 453 Ca 0.24 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1wa5 h GLU 453 Cb 0.15 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1wa5 h GLU 453 CO -0.03 0.47 0.58 -0.91 -0.73 0.00 0.00 179.01 178.40 1wa5 h ASN 454 N 0.43 1.00 -0.42 1.04 2.35 -0.83 0.73 115.58 119.89 1wa5 h ASN 454 Ca 0.12 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1wa5 h ASN 454 Cb 0.13 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 1wa5 h ASN 454 CO -0.01 0.72 0.06 0.40 -1.65 0.00 0.00 177.43 176.94 1wa5 h ILE 455 N 1.18 1.23 -0.16 2.81 2.04 -0.68 -2.02 117.51 121.91 1wa5 h ILE 455 Ca 0.33 -0.90 -0.21 0.00 1.00 0.00 0.00 64.86 65.09 1wa5 h ILE 455 Cb -0.11 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1wa5 h ILE 455 CO -0.08 0.32 -0.73 -0.07 0.00 0.00 0.00 178.15 177.60 1wa5 h LEU 456 N 0.74 0.85 -0.49 1.44 3.38 -0.19 -2.33 115.31 118.71 1wa5 h LEU 456 Ca 0.15 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1wa5 h LEU 456 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wa5 h LEU 456 CO 0.01 1.32 0.22 0.11 0.09 0.00 0.00 178.44 180.19 1wa5 h LYS 457 N 0.51 0.72 -0.36 1.13 1.57 -0.71 -0.33 116.57 119.09 1wa5 h LYS 457 Ca -0.04 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1wa5 h LYS 457 Cb 1.34 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1wa5 h LYS 457 CO 0.15 0.62 -0.26 0.00 -0.57 0.00 0.00 179.45 179.39 1wa5 h MET 458 N 0.65 0.73 -0.64 3.15 -0.00 -1.39 0.11 114.93 117.53 1wa5 h MET 458 Ca 0.17 -0.31 -0.06 0.00 -0.00 0.00 0.00 59.70 59.50 1wa5 h MET 458 Cb 0.15 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 31.70 1wa5 h MET 458 CO -0.02 0.92 0.18 0.78 -0.00 0.00 0.00 176.91 178.77 1wa5 h GLY 459 N 0.97 1.07 0.84 -3.00 0.00 -1.13 0.13 103.07 101.95 1wa5 h GLY 459 Ca 0.08 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1wa5 h GLY 459 CO 0.06 0.59 -0.09 -2.09 0.00 0.00 0.00 176.54 175.01 1wa5 h GLU 460 N 0.96 0.47 -0.42 4.80 4.57 -0.74 -1.20 114.58 123.01 1wa5 h GLU 460 Ca 0.21 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1wa5 h GLU 460 Cb 0.31 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1wa5 h GLU 460 CO -0.00 0.73 0.01 0.00 -1.18 0.00 0.00 179.01 178.57 1wa5 h ALA 461 N 0.73 1.23 -0.45 2.92 0.00 -0.55 -0.73 119.26 122.41 1wa5 h ALA 461 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1wa5 h ALA 461 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wa5 h ALA 461 CO 0.03 0.51 -0.20 0.22 0.00 0.00 0.00 179.25 179.81 1wa5 h ASP 462 N 0.64 0.92 0.12 0.00 3.58 -0.56 0.18 116.42 121.31 1wa5 h ASP 462 Ca 0.13 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 1wa5 h ASP 462 Cb 0.38 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1wa5 h ASP 462 CO 0.01 1.10 -0.06 0.50 -2.88 0.00 0.00 179.24 177.91 1wa5 h LYS 463 N 0.79 -0.16 -0.76 0.28 3.64 -0.69 -1.44 116.57 118.22 1wa5 h LYS 463 Ca 0.11 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1wa5 h LYS 463 Cb 0.75 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1wa5 h LYS 463 CO 0.06 0.04 0.28 0.93 -2.27 0.00 0.00 179.45 178.49 1wa5 h GLU 464 N -0.34 1.15 -0.22 1.90 5.08 -1.09 -1.41 114.58 119.65 1wa5 h GLU 464 Ca -0.02 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1wa5 h GLU 464 Cb 0.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wa5 h GLU 464 CO 0.03 0.95 0.01 0.00 -1.00 0.00 0.00 179.01 179.00 1wa5 h ALA 465 N 1.14 0.30 -0.35 3.43 0.00 -0.53 -3.32 119.26 119.94 1wa5 h ALA 465 Ca 0.25 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1wa5 h ALA 465 Cb 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1wa5 h ALA 465 CO -0.02 0.01 0.01 2.89 0.00 0.00 0.00 179.25 182.15 1wa5 n ARG 466 N -4.68 2.48 -3.46 0.00 1.85 -0.55 -5.01 116.66 107.29 1wa5 n ARG 466 Ca -0.04 -3.00 -0.20 0.00 -1.00 0.00 0.00 57.85 53.61 1wa5 n ARG 466 Cb 0.22 -1.87 0.06 0.00 -1.05 0.00 0.00 32.46 29.83 1wa5 n ARG 466 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wa5 n GLY 467 N -0.78 -0.83 3.93 2.89 0.00 -0.61 -5.02 105.19 104.77 1wa5 n GLY 467 Ca 0.29 0.39 -0.25 0.00 0.00 0.00 0.00 46.02 46.46 1wa5 n GLY 467 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa5 s LEU 468 N -6.04 3.91 -0.00 0.99 1.43 -0.71 -5.03 118.68 113.23 1wa5 s LEU 468 Ca 0.30 0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 53.76 1wa5 s LEU 468 Cb -0.06 -3.44 -0.29 0.00 0.03 0.00 0.00 46.19 42.43 1wa5 s LEU 468 CO 0.78 -0.38 1.02 0.78 0.23 0.00 0.00 176.35 178.78 1wa5 h ASN 469 N 0.62 0.61 -4.16 2.29 2.35 -1.95 -3.46 115.58 111.88 1wa5 h ASN 469 Ca -0.49 -0.86 -0.33 0.00 -0.55 0.00 0.00 56.30 54.07 1wa5 h ASN 469 Cb 1.22 -0.19 -0.14 0.00 0.05 0.00 0.00 38.32 39.25 1wa5 h ASN 469 CO 0.61 1.41 -0.67 0.27 -1.65 0.00 0.00 177.43 177.41 1wa5 s ILE 470 N -2.83 0.90 -0.41 2.81 -4.36 -1.26 -4.90 121.20 111.14 1wa5 s ILE 470 Ca -0.12 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 57.96 1wa5 s ILE 470 Cb 0.03 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.57 1wa5 s ILE 470 CO 0.86 -0.44 1.31 0.21 0.24 0.00 0.00 174.94 177.12 1wa5 s ASN 471 N -3.23 6.48 0.32 4.36 3.84 -1.26 -4.84 114.94 120.60 1wa5 s ASN 471 Ca 0.25 0.78 0.03 0.00 0.21 0.00 0.00 52.86 54.13 1wa5 s ASN 471 Cb 0.05 -2.54 0.54 0.00 -0.55 0.00 0.00 41.25 38.75 1wa5 s ASN 471 CO 0.06 -1.32 1.84 -0.33 -2.79 0.00 0.00 177.10 174.55 1wa5 h GLU 472 N 10.02 0.55 -0.04 0.43 5.08 -1.98 -2.56 114.58 126.08 1wa5 h GLU 472 Ca -0.26 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 57.85 1wa5 h GLU 472 Cb 1.09 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1wa5 h GLU 472 CO 1.09 0.61 -0.52 -0.91 -1.00 0.00 0.00 179.01 178.27 1wa5 h ASN 473 N 0.52 0.13 -0.59 1.42 2.35 -1.88 -0.67 115.58 116.86 1wa5 h ASN 473 Ca 0.11 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 1wa5 h ASN 473 Cb 0.39 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1wa5 h ASN 473 CO 0.02 0.63 -0.03 0.00 -1.65 0.00 0.00 177.43 176.40 1wa5 h ALA 474 N 1.37 0.82 -0.44 -0.83 0.00 -1.82 -0.53 119.26 117.84 1wa5 h ALA 474 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1wa5 h ALA 474 Cb 0.96 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wa5 h ALA 474 CO 0.07 0.67 -0.16 0.22 0.00 0.00 0.00 179.25 180.06 1wa5 h ASP 475 N 0.97 0.83 -0.45 0.00 1.82 -1.08 -1.47 116.42 117.04 1wa5 h ASP 475 Ca 0.16 -0.28 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 1wa5 h ASP 475 Cb 0.60 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1wa5 h ASP 475 CO 0.04 0.99 0.12 -0.26 -1.61 0.00 0.00 179.24 178.51 1wa5 h PHE 476 N 0.74 0.76 -0.66 0.28 0.04 -0.78 0.74 116.94 118.07 1wa5 h PHE 476 Ca 0.11 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1wa5 h PHE 476 Cb 0.67 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 1wa5 h PHE 476 CO 0.04 0.69 0.36 0.82 -0.60 0.00 0.00 178.31 179.62 1wa5 h ILE 477 N 0.60 1.21 -0.57 -0.55 2.04 -0.94 0.46 117.51 119.76 1wa5 h ILE 477 Ca 0.14 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 1wa5 h ILE 477 Cb 0.31 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1wa5 h ILE 477 CO 0.00 0.23 -0.06 -0.08 0.00 0.00 0.00 178.15 178.24 1wa5 h GLU 478 N 0.90 1.04 -0.64 2.37 4.81 -1.08 0.30 114.58 122.29 1wa5 h GLU 478 Ca 0.23 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1wa5 h GLU 478 Cb 0.04 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1wa5 h GLU 478 CO -0.04 1.05 0.31 -0.22 -0.73 0.00 0.00 179.01 179.38 1wa5 h LYS 479 N 0.93 0.91 0.00 1.92 3.64 -0.38 -1.57 116.57 122.01 1wa5 h LYS 479 Ca 0.15 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1wa5 h LYS 479 Cb 0.62 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1wa5 h LYS 479 CO 0.04 0.70 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1wa5 n ALA 480 N -2.44 2.30 -0.77 5.00 0.00 0.11 -4.86 120.51 119.85 1wa5 n ALA 480 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wa5 n ALA 480 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1wa5 n ALA 480 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa5 n GLY 481 N 0.93 0.59 0.22 0.00 0.00 -0.59 -4.94 105.19 101.39 1wa5 n GLY 481 Ca 0.12 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1wa5 n GLY 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wa5 h GLY 482 N 0.00 0.00 1.02 -0.02 0.00 -0.59 -3.23 103.07 100.25 1wa5 h GLY 482 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1wa5 h GLY 482 CO 0.00 0.00 0.17 1.98 0.00 0.00 0.00 176.54 178.69 1wa5 h MET 483 N 0.00 0.99 -0.60 4.80 -1.53 -1.81 0.40 114.93 117.18 1wa5 h MET 483 Ca -0.00 -0.23 -0.08 0.00 -3.44 0.00 0.00 59.70 55.95 1wa5 h MET 483 Cb 0.97 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.86 1wa5 h MET 483 CO 0.01 0.89 0.06 0.93 0.14 0.00 0.00 176.91 178.94 1wa5 h GLU 484 N 0.91 1.01 -0.27 0.39 4.39 -1.90 0.64 114.58 119.75 1wa5 h GLU 484 Ca 0.20 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 1wa5 h GLU 484 Cb 0.32 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1wa5 h GLU 484 CO -0.00 0.95 -0.34 0.87 -1.16 0.00 0.00 179.01 179.33 1wa5 h LYS 485 N 0.94 0.57 -0.10 2.33 1.57 -1.47 0.69 116.57 121.10 1wa5 h LYS 485 Ca 0.18 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1wa5 h LYS 485 Cb 0.46 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1wa5 h LYS 485 CO 0.02 0.83 -0.51 0.82 -0.57 0.00 0.00 179.45 180.04 1wa5 h ILE 486 N 0.49 1.37 -0.63 1.86 2.04 -0.77 -3.15 117.51 118.72 1wa5 h ILE 486 Ca 0.05 -1.84 0.09 0.00 1.00 0.00 0.00 64.86 64.17 1wa5 h ILE 486 Cb 0.82 2.21 -0.07 0.00 -0.74 0.00 0.00 36.82 39.03 1wa5 h ILE 486 CO 0.07 0.55 0.25 0.15 0.00 0.00 0.00 178.15 179.17 1wa5 h PHE 487 N 0.12 0.44 0.00 1.37 3.57 -0.64 0.18 116.94 121.98 1wa5 h PHE 487 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wa5 h PHE 487 Cb 1.16 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1wa5 h PHE 487 CO 0.11 0.12 0.00 -0.91 -2.23 0.00 0.00 178.31 175.40 1wa5 h ASN 488 N 0.44 0.00 0.75 0.41 2.35 -0.82 -1.79 115.58 116.91 1wa5 h ASN 488 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1wa5 h ASN 488 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1wa5 h ASN 488 CO -0.30 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.48 1wa5 h GLN 490 N 0.00 0.00 0.00 0.00 4.20 -1.44 -2.44 115.11 115.43 1wa5 h GLN 490 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wa5 h GLN 490 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wa5 h GLN 490 CO 0.00 0.00 0.00 0.37 -0.67 0.00 0.00 178.83 178.53 1wa5 h GLN 491 N 0.00 0.00 -6.69 1.46 4.15 -1.65 -3.46 115.11 108.92 1wa5 h GLN 491 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 1wa5 h GLN 491 Cb 0.50 0.00 0.06 0.00 0.21 0.00 0.00 27.48 28.25 1wa5 h GLN 491 CO 0.00 0.00 0.89 1.21 -1.93 0.00 0.00 178.83 179.00 1wa5 s ASN 492 N -5.07 6.50 0.53 -0.69 3.84 -0.92 -4.89 114.94 114.25 1wa5 s ASN 492 Ca 0.08 2.76 0.34 0.00 0.21 0.00 0.00 52.86 56.25 1wa5 s ASN 492 Cb 0.10 -2.61 1.44 0.00 -0.55 0.00 0.00 41.25 39.63 1wa5 s ASN 492 CO 0.59 -0.85 2.00 -0.08 -2.79 0.00 0.00 177.10 175.97 1wa5 h GLU 493 N 5.98 0.00 -6.27 0.43 4.81 -1.89 -3.40 114.58 114.23 1wa5 h GLU 493 Ca -0.44 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.24 1wa5 h GLU 493 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1wa5 h GLU 493 CO 0.87 0.00 1.04 1.21 -0.73 0.00 0.00 179.01 181.39 1wa5 s ASN 494 N -5.48 6.72 0.17 1.04 2.47 -1.26 -4.90 114.94 113.68 1wa5 s ASN 494 Ca 0.01 2.17 -0.15 0.00 0.42 0.00 0.00 52.86 55.31 1wa5 s ASN 494 Cb 0.09 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.41 1wa5 s ASN 494 CO 0.51 -0.88 1.82 -0.78 -3.72 0.00 0.00 177.10 174.04 1wa5 h ASP 495 N 9.15 0.49 -0.68 -4.21 1.82 -1.89 -0.89 116.42 120.21 1wa5 h ASP 495 Ca -0.38 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.26 1wa5 h ASP 495 Cb 1.17 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 1wa5 h ASP 495 CO 0.95 0.36 0.45 0.11 -1.61 0.00 0.00 179.24 179.50 1wa5 h LYS 496 N 0.59 0.90 -0.08 0.28 1.57 -1.91 -0.06 116.57 117.88 1wa5 h LYS 496 Ca 0.18 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1wa5 h LYS 496 Cb -0.03 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1wa5 h LYS 496 CO -0.06 0.60 0.02 0.82 -0.57 0.00 0.00 179.45 180.26 1wa5 h ILE 497 N 0.93 1.19 0.26 1.86 2.04 -1.86 -1.80 117.51 120.13 1wa5 h ILE 497 Ca 0.25 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1wa5 h ILE 497 Cb -0.11 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1wa5 h ILE 497 CO -0.05 0.17 -0.28 0.22 0.00 0.00 0.00 178.15 178.20 1wa5 h TYR 498 N -0.09 -0.76 -0.80 1.37 3.20 -0.91 -1.25 116.97 117.74 1wa5 h TYR 498 Ca 0.02 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1wa5 h TYR 498 Cb 0.24 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 1wa5 h TYR 498 CO 0.01 -0.41 0.52 0.93 -1.64 0.00 0.00 178.16 177.57 1wa5 h GLU 499 N -0.58 0.80 -0.14 1.82 5.08 -1.00 0.50 114.58 121.06 1wa5 h GLU 499 Ca -0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1wa5 h GLU 499 Cb 0.55 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wa5 h GLU 499 CO -0.08 0.53 -0.09 0.87 -1.00 0.00 0.00 179.01 179.24 1wa5 h LYS 500 N 0.82 0.31 -0.92 2.33 1.57 -1.03 -1.48 116.57 118.17 1wa5 h LYS 500 Ca 0.35 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1wa5 h LYS 500 Cb 0.30 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1wa5 h LYS 500 CO -0.13 0.66 0.52 0.00 -0.57 0.00 0.00 179.45 179.93 1wa5 h ALA 501 N 0.64 1.18 0.15 3.86 0.00 -0.72 -0.98 119.26 123.39 1wa5 h ALA 501 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wa5 h ALA 501 Cb 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wa5 h ALA 501 CO 0.03 0.67 -0.07 -0.92 0.00 0.00 0.00 179.25 178.95 1wa5 h TYR 502 N 1.28 -0.19 -0.52 0.00 3.20 -0.86 0.16 116.97 120.05 1wa5 h TYR 502 Ca 0.33 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.24 1wa5 h TYR 502 Cb 0.00 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1wa5 h TYR 502 CO 0.01 -0.05 0.25 -0.22 -1.64 0.00 0.00 178.16 176.50 1wa5 h LYS 503 N -0.28 0.46 0.15 1.82 3.64 -0.96 0.70 116.57 122.10 1wa5 h LYS 503 Ca -0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1wa5 h LYS 503 Cb 0.22 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1wa5 h LYS 503 CO 0.03 0.31 -0.10 0.82 -2.27 0.00 0.00 179.45 178.24 1wa5 h ILE 504 N 0.48 0.79 -0.38 2.00 2.04 -0.96 0.49 117.51 121.96 1wa5 h ILE 504 Ca 0.24 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.11 1wa5 h ILE 504 Cb 0.18 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1wa5 h ILE 504 CO -0.18 0.00 0.23 0.40 0.00 0.00 0.00 178.15 178.60 1wa5 h ILE 505 N -0.25 1.06 0.00 -0.67 1.08 -0.58 -0.65 117.51 117.51 1wa5 h ILE 505 Ca -0.01 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1wa5 h ILE 505 Cb 0.21 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1wa5 h ILE 505 CO 0.01 0.09 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.22 1wa5 h GLU 506 N 0.48 0.00 0.09 2.37 4.39 -0.80 -0.42 114.58 120.69 1wa5 h GLU 506 Ca 0.15 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.50 1wa5 h GLU 506 Cb -0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1wa5 h GLU 506 CO -0.06 0.01 -1.93 2.41 -1.16 0.00 0.00 179.01 178.27 1wa5 n THR 507 N -3.10 1.72 0.10 1.13 -1.04 0.15 -4.36 114.28 108.88 1wa5 n THR 507 Ca 0.03 -0.70 0.01 0.00 -2.04 0.00 0.00 64.05 61.35 1wa5 n THR 507 Cb 0.44 -1.52 -0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1wa5 n THR 507 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1wa5 n TYR 508 N -3.35 0.00 -1.80 -1.42 4.02 -0.27 -4.74 117.16 109.60 1wa5 n TYR 508 Ca -0.28 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.64 1wa5 n TYR 508 Cb 1.05 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 40.42 1wa5 n TYR 508 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1wa5 n PHE 509 N -0.63 0.00 -2.56 -0.72 3.01 -0.20 -4.99 117.46 111.37 1wa5 n PHE 509 Ca 0.01 -0.41 -0.37 0.00 1.01 0.00 0.00 57.45 57.68 1wa5 n PHE 509 Cb 0.04 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.37 1wa5 n PHE 509 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1wa5 s GLY 510 N -1.75 2.79 0.01 1.37 0.00 -0.99 -4.90 107.32 103.85 1wa5 s GLY 510 Ca 0.15 0.71 -0.32 0.00 0.00 0.00 0.00 44.72 45.26 1wa5 s GLY 510 CO -0.02 1.17 1.89 1.18 0.00 0.00 0.00 173.10 177.32 1wa5 n GLU 511 N 0.18 2.53 0.00 2.90 1.02 -1.26 -4.89 120.64 121.11 1wa5 n GLU 511 Ca 0.04 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1wa5 n GLU 511 Cb 0.49 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.09 1wa5 n GLU 511 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wa5 n GLU 512 N 6.61 0.00 -0.05 3.49 1.02 -1.26 -5.06 120.64 125.39 1wa5 n GLU 512 Ca 0.21 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1wa5 n GLU 512 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.76 1wa5 n GLU 512 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wa5 n GLU 513 N -0.26 -0.05 0.00 3.49 1.02 -1.26 -5.15 120.64 118.42 1wa5 n GLU 513 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1wa5 n GLU 513 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1wa5 n GLU 513 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84