#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cw1 s SER 3 N 0.00 5.17 0.00 1.62 0.15 -1.26 -4.93 113.70 114.45 1cw1 s SER 3 Ca 0.00 2.43 0.07 0.00 0.70 0.00 0.00 55.95 59.14 1cw1 s SER 3 Cb 0.00 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.86 1cw1 s SER 3 CO 0.00 -1.61 1.04 0.29 1.20 0.00 0.00 173.24 174.16 1cw1 n LYS 4 N -1.55 2.14 -2.76 5.44 5.02 -1.26 -4.98 118.16 120.22 1cw1 n LYS 4 Ca 0.13 -1.59 -0.41 0.00 -2.02 0.00 0.00 58.31 54.42 1cw1 n LYS 4 Cb 0.49 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 1cw1 n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1cw1 s VAL 5 N -0.89 4.65 -0.30 -0.18 1.01 -1.26 -5.02 120.40 118.41 1cw1 s VAL 5 Ca 0.12 2.01 -0.06 0.00 0.00 0.00 0.00 61.98 64.06 1cw1 s VAL 5 Cb 0.07 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1cw1 s VAL 5 CO 0.09 0.27 0.07 -0.69 0.00 0.00 0.00 175.10 174.84 1cw1 s VAL 6 N 0.32 3.74 -0.04 2.92 1.01 -1.26 -5.07 120.40 122.03 1cw1 s VAL 6 Ca 0.47 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1cw1 s VAL 6 Cb -0.22 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1cw1 s VAL 6 CO 0.28 0.02 1.40 -0.69 0.00 0.00 0.00 175.10 176.11 1cw1 s VAL 7 N 1.44 3.83 0.15 2.92 1.01 -1.26 -4.76 120.40 123.74 1cw1 s VAL 7 Ca 0.01 1.16 -0.33 0.00 0.00 0.00 0.00 61.98 62.81 1cw1 s VAL 7 Cb -0.18 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.33 1cw1 s VAL 7 CO 0.02 -0.03 1.65 -2.65 0.00 0.00 0.00 175.10 174.08 1cw1 n PRO 8 N 5.81 2.34 -0.11 2.72 -0.02 -1.26 -4.90 135.00 139.59 1cw1 n PRO 8 Ca 0.14 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.38 1cw1 n PRO 8 Cb 0.44 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.27 1cw1 n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cw1 h ALA 9 N 6.49 0.45 -2.64 3.55 0.00 -2.00 -3.36 119.26 121.75 1cw1 h ALA 9 Ca -0.45 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.77 1cw1 h ALA 9 Cb 1.24 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.71 1cw1 h ALA 9 CO 0.91 -0.09 -0.35 1.14 0.00 0.00 0.00 179.25 180.87 1cw1 s GLN 10 N -6.17 3.56 0.00 0.00 0.00 -1.26 -4.98 119.66 110.82 1cw1 s GLN 10 Ca -0.13 -0.47 0.00 0.00 -0.00 0.00 0.00 55.36 54.76 1cw1 s GLN 10 Cb 0.10 -3.80 0.00 0.00 0.00 0.00 0.00 33.01 29.31 1cw1 s GLN 10 CO 0.72 -0.49 0.00 0.41 0.00 0.00 0.00 175.29 175.93 1cw1 n GLY 11 N 5.00 3.75 3.05 2.60 0.00 -1.26 -4.79 105.19 113.54 1cw1 n GLY 11 Ca -0.10 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 1cw1 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cw1 s LYS 12 N -2.43 0.72 0.29 1.61 2.20 0.97 -4.89 119.74 118.21 1cw1 s LYS 12 Ca 0.00 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 1cw1 s LYS 12 Cb 0.00 -0.67 -0.10 0.00 -1.51 0.00 0.00 37.83 35.55 1cw1 s LYS 12 CO 0.00 0.18 1.26 0.21 -0.36 0.00 0.00 175.35 176.63 1cw1 s LYS 13 N -0.60 4.43 0.36 4.03 2.20 -1.26 -1.81 119.74 127.09 1cw1 s LYS 13 Ca 0.01 2.08 -0.25 0.00 -0.36 0.00 0.00 55.97 57.45 1cw1 s LYS 13 Cb -0.05 -3.13 -0.10 0.00 -1.51 0.00 0.00 37.83 33.04 1cw1 s LYS 13 CO 0.00 -0.11 1.00 0.42 -0.36 0.00 0.00 175.35 176.30 1cw1 s ILE 14 N -0.84 3.97 0.36 5.43 1.01 -1.26 -4.77 121.20 125.09 1cw1 s ILE 14 Ca 0.50 1.58 0.07 0.00 0.00 0.00 0.00 60.65 62.80 1cw1 s ILE 14 Cb -0.37 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 1cw1 s ILE 14 CO 0.46 0.08 -0.03 0.42 0.00 0.00 0.00 174.94 175.87 1cw1 s THR 15 N -1.63 1.93 -0.06 2.92 -4.23 -0.63 -4.69 115.64 109.26 1cw1 s THR 15 Ca 0.53 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1cw1 s THR 15 Cb -0.20 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1cw1 s THR 15 CO 0.26 -0.12 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.88 1cw1 s LEU 16 N -3.61 1.67 -0.09 4.79 2.96 -1.26 0.24 118.68 123.38 1cw1 s LEU 16 Ca 0.33 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1cw1 s LEU 16 Cb 0.06 -0.80 0.05 0.00 0.50 0.00 0.00 46.19 46.00 1cw1 s LEU 16 CO 0.16 0.04 0.17 -1.10 -1.32 0.00 0.00 176.35 174.31 1cw1 s GLN 17 N 0.57 0.07 -1.46 1.98 1.11 -0.08 -4.88 119.66 116.97 1cw1 s GLN 17 Ca -0.12 0.55 -0.09 0.00 0.01 0.00 0.00 55.36 55.70 1cw1 s GLN 17 Cb -0.15 -0.22 0.03 0.00 -1.01 0.00 0.00 33.01 31.67 1cw1 s GLN 17 CO 0.03 -0.27 0.85 0.27 0.01 0.00 0.00 175.29 176.18 1cw1 n ASN 18 N 5.05 -5.60 -0.65 5.90 6.94 -1.26 -1.07 115.26 124.57 1cw1 n ASN 18 Ca -0.10 -0.49 -0.08 0.00 -0.02 0.00 0.00 54.58 53.89 1cw1 n ASN 18 Cb 0.50 -4.48 -0.04 0.00 -2.36 0.00 0.00 39.78 33.41 1cw1 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cw1 n GLY 19 N -1.66 1.03 3.03 4.83 0.00 -1.26 -5.01 105.19 106.15 1cw1 n GLY 19 Ca -0.03 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1cw1 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cw1 s LYS 20 N -2.68 1.62 0.11 1.61 0.00 -0.23 -5.12 119.74 115.04 1cw1 s LYS 20 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 55.97 55.26 1cw1 s LYS 20 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 37.83 36.41 1cw1 s LYS 20 CO 0.00 0.05 1.06 -0.51 0.00 0.00 0.00 175.35 175.95 1cw1 s LEU 21 N 0.57 4.45 -0.58 2.77 1.43 -1.26 -0.90 118.68 125.16 1cw1 s LEU 21 Ca -0.12 1.92 -0.08 0.00 -1.03 0.00 0.00 54.13 54.81 1cw1 s LEU 21 Cb -0.15 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.63 1cw1 s LEU 21 CO 0.03 -0.23 0.45 0.21 0.23 0.00 0.00 176.35 177.04 1cw1 s ASN 22 N 0.32 5.79 -0.24 2.29 3.84 0.14 -4.96 114.94 122.11 1cw1 s ASN 22 Ca 0.51 -2.29 -0.13 0.00 0.21 0.00 0.00 52.86 51.15 1cw1 s ASN 22 Cb -0.26 -2.01 -0.04 0.00 -0.55 0.00 0.00 41.25 38.38 1cw1 s ASN 22 CO 0.31 -0.59 0.28 -0.69 -2.79 0.00 0.00 177.10 173.62 1cw1 s VAL 23 N 0.78 5.26 0.82 -5.21 1.01 -1.26 -1.60 120.40 120.20 1cw1 s VAL 23 Ca 0.11 0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 1cw1 s VAL 23 Cb -0.22 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1cw1 s VAL 23 CO -0.03 0.26 1.15 -2.16 0.00 0.00 0.00 175.10 174.33 1cw1 s PRO 24 N 1.47 1.91 0.45 2.72 0.04 -1.26 -4.95 135.00 135.38 1cw1 s PRO 24 Ca 0.12 0.23 0.30 0.00 0.04 0.00 0.00 61.00 61.70 1cw1 s PRO 24 Cb -0.15 -1.93 1.23 0.00 0.04 0.00 0.00 34.50 33.69 1cw1 s PRO 24 CO 0.08 -1.66 1.89 0.93 0.04 0.00 0.00 177.00 178.28 1cw1 h GLU 25 N -1.10 0.00 -2.20 4.56 5.08 -1.93 -3.24 114.58 115.75 1cw1 h GLU 25 Ca -0.47 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.33 1cw1 h GLU 25 Cb 1.32 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.15 1cw1 h GLU 25 CO 0.64 0.00 -0.81 0.27 -1.00 0.00 0.00 179.01 178.12 1cw1 n ASN 26 N -2.81 3.36 -4.77 1.42 2.04 -1.26 -0.76 115.26 112.49 1cw1 n ASN 26 Ca 0.01 -3.47 -0.39 0.00 -0.44 0.00 0.00 54.58 50.29 1cw1 n ASN 26 Cb 0.29 -0.58 -0.02 0.00 -2.53 0.00 0.00 39.78 36.93 1cw1 n ASN 26 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1cw1 s PRO 27 N -3.12 4.24 -0.21 -0.53 0.04 -1.23 -0.02 135.00 134.18 1cw1 s PRO 27 Ca 0.46 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 1cw1 s PRO 27 Cb 0.29 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1cw1 s PRO 27 CO -0.12 -0.20 0.64 0.42 0.04 0.00 0.00 177.00 177.78 1cw1 s ILE 28 N -1.28 5.01 -0.23 0.56 1.01 -0.75 -0.38 121.20 125.15 1cw1 s ILE 28 Ca 0.52 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.37 1cw1 s ILE 28 Cb -0.34 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.22 1cw1 s ILE 28 CO 0.44 0.09 -0.13 -0.63 0.00 0.00 0.00 174.94 174.71 1cw1 s ILE 29 N 2.04 2.31 0.44 2.92 -1.09 -0.27 -4.73 121.20 122.81 1cw1 s ILE 29 Ca 0.28 -1.22 -0.23 0.00 -2.23 0.00 0.00 60.65 57.25 1cw1 s ILE 29 Cb -0.16 -2.17 -0.08 0.00 -1.58 0.00 0.00 42.46 38.48 1cw1 s ILE 29 CO 0.10 0.24 1.14 -2.84 -1.23 0.00 0.00 174.94 172.35 1cw1 s PRO 30 N 1.23 3.89 -0.06 2.79 0.02 -1.25 -1.11 135.00 140.51 1cw1 s PRO 30 Ca -0.01 1.72 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 1cw1 s PRO 30 Cb -0.16 -2.47 0.02 0.00 0.02 0.00 0.00 34.50 31.90 1cw1 s PRO 30 CO -0.08 -0.42 0.18 1.52 -0.33 0.00 0.00 177.00 177.86 1cw1 s TYR 31 N -1.56 -0.18 -0.24 6.54 -0.85 0.05 -2.45 117.35 118.66 1cw1 s TYR 31 Ca 0.61 0.44 -0.06 0.00 -0.52 0.00 0.00 57.07 57.54 1cw1 s TYR 31 Cb -0.27 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 1cw1 s TYR 31 CO 0.33 -0.11 0.04 0.42 -1.52 0.00 0.00 175.55 174.71 1cw1 s ILE 32 N -0.01 4.06 0.19 -3.49 1.01 -0.39 -1.03 121.20 121.55 1cw1 s ILE 32 Ca -0.01 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 1cw1 s ILE 32 Cb -0.02 -2.89 0.13 0.00 0.01 0.00 0.00 42.46 39.69 1cw1 s ILE 32 CO 0.00 0.36 1.72 -0.08 0.00 0.00 0.00 174.94 176.94 1cw1 h GLU 33 N 8.18 0.25 0.00 2.79 4.81 -1.88 -1.01 114.58 127.71 1cw1 h GLU 33 Ca -0.39 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1cw1 h GLU 33 Cb 1.17 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1cw1 h GLU 33 CO 0.59 0.17 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 1cw1 n GLY 34 N -1.29 1.38 3.84 1.92 0.00 -1.26 -3.57 105.19 106.21 1cw1 n GLY 34 Ca 0.07 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 1cw1 n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cw1 s ASP 35 N -0.55 4.13 1.07 1.61 -0.00 0.15 -4.18 116.67 118.90 1cw1 s ASP 35 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 52.55 53.50 1cw1 s ASP 35 Cb 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 42.92 41.39 1cw1 s ASP 35 CO 0.00 -2.16 0.00 0.61 -0.00 0.00 0.00 175.17 173.62 1cw1 n GLY 36 N -2.66 3.33 0.00 0.21 0.00 -1.26 -1.17 105.19 103.63 1cw1 n GLY 36 Ca 0.07 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.35 1cw1 n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cw1 n ILE 37 N 0.00 0.47 0.27 -0.61 -5.35 -0.02 -2.28 119.36 111.85 1cw1 n ILE 37 Ca 0.00 0.12 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 1cw1 n ILE 37 Cb 0.00 -0.99 0.78 0.00 -1.74 0.00 0.00 39.64 37.69 1cw1 n ILE 37 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1cw1 h GLY 38 N 1.29 0.00 2.00 3.28 0.00 -1.31 0.14 103.07 108.47 1cw1 h GLY 38 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1cw1 h GLY 38 CO 0.00 0.00 -0.08 -0.24 0.00 0.00 0.00 176.54 176.22 1cw1 h VAL 39 N 0.00 0.25 0.00 4.60 3.04 -1.62 -2.19 116.25 120.34 1cw1 h VAL 39 Ca -0.00 -0.60 -0.38 0.00 -1.01 0.00 0.00 66.70 64.70 1cw1 h VAL 39 Cb 0.12 1.48 -0.06 0.00 -2.01 0.00 0.00 31.29 30.82 1cw1 h VAL 39 CO 0.01 0.08 -2.10 0.47 -1.01 0.00 0.00 177.57 175.02 1cw1 n ASP 40 N -3.28 1.93 -0.03 3.17 8.00 0.31 -4.51 116.55 122.15 1cw1 n ASP 40 Ca -0.00 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.70 1cw1 n ASP 40 Cb 0.29 -0.85 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 1cw1 n ASP 40 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1cw1 h VAL 41 N -0.90 1.30 -0.18 2.53 -1.51 -1.13 -3.29 116.25 113.06 1cw1 h VAL 41 Ca -0.57 -1.83 0.02 0.00 -1.23 0.00 0.00 66.70 63.09 1cw1 h VAL 41 Cb 1.55 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 32.46 1cw1 h VAL 41 CO -0.32 0.58 0.03 0.74 -1.23 0.00 0.00 177.57 177.37 1cw1 h THR 42 N 0.53 0.91 -0.94 7.19 2.02 -1.63 -0.79 112.91 120.20 1cw1 h THR 42 Ca -0.00 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1cw1 h THR 42 Cb 1.19 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1cw1 h THR 42 CO 0.12 0.02 0.62 -0.65 0.37 0.00 0.00 175.52 176.00 1cw1 h PRO 43 N 0.10 1.11 -0.64 6.66 0.11 -1.79 0.44 132.00 137.99 1cw1 h PRO 43 Ca 0.08 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1cw1 h PRO 43 Cb 0.08 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 1cw1 h PRO 43 CO -0.12 0.74 0.15 0.00 -0.21 0.00 0.00 178.00 178.56 1cw1 h ALA 44 N 1.47 0.84 -0.09 -0.75 0.00 -1.52 -2.22 119.26 116.98 1cw1 h ALA 44 Ca 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1cw1 h ALA 44 Cb 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1cw1 h ALA 44 CO -0.13 0.56 0.03 1.98 0.00 0.00 0.00 179.25 181.69 1cw1 h MET 45 N 0.94 0.14 -0.58 0.00 -1.53 0.15 -0.51 114.93 113.53 1cw1 h MET 45 Ca 0.20 -0.03 0.07 0.00 -3.44 0.00 0.00 59.70 56.50 1cw1 h MET 45 Cb 0.37 -0.02 -0.06 0.00 -0.55 0.00 0.00 31.60 31.34 1cw1 h MET 45 CO 0.00 0.28 0.26 -0.07 0.14 0.00 0.00 176.91 177.52 1cw1 h LEU 46 N -0.02 0.33 -0.36 3.39 3.38 -0.88 0.10 115.31 121.25 1cw1 h LEU 46 Ca 0.03 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1cw1 h LEU 46 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1cw1 h LEU 46 CO -0.00 0.21 0.03 0.50 0.09 0.00 0.00 178.44 179.27 1cw1 h LYS 47 N 0.48 0.61 -0.34 1.13 3.64 -1.25 -1.30 116.57 119.55 1cw1 h LYS 47 Ca 0.28 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1cw1 h LYS 47 Cb 0.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1cw1 h LYS 47 CO -0.23 0.71 0.10 0.28 -2.27 0.00 0.00 179.45 178.03 1cw1 h VAL 48 N 0.44 1.21 -0.29 2.00 2.07 -0.55 -1.55 116.25 119.57 1cw1 h VAL 48 Ca 0.10 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1cw1 h VAL 48 Cb 0.41 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1cw1 h VAL 48 CO 0.01 0.23 0.14 0.58 0.02 0.00 0.00 177.57 178.56 1cw1 h VAL 49 N 0.39 1.15 -0.97 2.57 2.07 -0.77 -0.84 116.25 119.85 1cw1 h VAL 49 Ca 0.11 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1cw1 h VAL 49 Cb 0.26 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1cw1 h VAL 49 CO -0.00 0.15 0.61 0.44 0.02 0.00 0.00 177.57 178.79 1cw1 h ASP 50 N 0.34 1.14 -0.52 0.57 3.45 -1.15 -0.34 116.42 119.90 1cw1 h ASP 50 Ca 0.10 -0.05 -0.07 0.00 0.43 0.00 0.00 57.03 57.44 1cw1 h ASP 50 Cb 0.11 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1cw1 h ASP 50 CO -0.01 0.85 0.07 0.00 -1.57 0.00 0.00 179.24 178.58 1cw1 h ALA 51 N 1.35 0.70 -0.28 3.45 0.00 -0.95 -0.45 119.26 123.07 1cw1 h ALA 51 Ca 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cw1 h ALA 51 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1cw1 h ALA 51 CO -0.07 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1cw1 h ALA 52 N 0.97 0.37 -0.08 0.00 0.00 -0.42 -0.11 119.26 119.98 1cw1 h ALA 52 Ca 0.16 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1cw1 h ALA 52 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1cw1 h ALA 52 CO 0.01 -0.06 -0.60 -0.39 0.00 0.00 0.00 179.25 178.21 1cw1 h VAL 53 N 0.32 1.38 -0.16 0.00 -1.51 -1.00 0.52 116.25 115.80 1cw1 h VAL 53 Ca 0.10 -1.96 -0.01 0.00 -1.23 0.00 0.00 66.70 63.60 1cw1 h VAL 53 Cb 0.13 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 1cw1 h VAL 53 CO -0.01 0.58 0.05 -0.08 -1.23 0.00 0.00 177.57 176.88 1cw1 h GLU 54 N 0.21 0.25 -0.37 5.19 4.57 -0.91 -1.66 114.58 121.86 1cw1 h GLU 54 Ca -0.01 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1cw1 h GLU 54 Cb 1.11 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1cw1 h GLU 54 CO 0.10 0.37 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.06 1cw1 h LYS 55 N 0.08 0.66 -0.09 1.92 3.64 -0.92 -1.58 116.57 120.29 1cw1 h LYS 55 Ca 0.05 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1cw1 h LYS 55 Cb 0.22 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1cw1 h LYS 55 CO -0.00 0.77 0.03 0.00 -2.27 0.00 0.00 179.45 177.99 1cw1 h ALA 56 N 0.86 0.12 -0.46 5.00 0.00 -0.85 -3.28 119.26 120.66 1cw1 h ALA 56 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cw1 h ALA 56 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1cw1 h ALA 56 CO 0.02 -0.28 0.00 0.66 0.00 0.00 0.00 179.25 179.65 1cw1 n TYR 57 N -4.92 1.53 -4.14 0.00 4.01 -0.63 -4.97 117.16 108.05 1cw1 n TYR 57 Ca -0.06 -0.76 -0.32 0.00 -0.16 0.00 0.00 57.90 56.59 1cw1 n TYR 57 Cb 0.12 -0.39 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 1cw1 n TYR 57 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1cw1 n LYS 58 N 0.25 -3.13 -0.84 -0.72 4.76 -0.62 -0.67 118.16 117.19 1cw1 n LYS 58 Ca 0.25 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1cw1 n LYS 58 Cb 1.02 -4.83 0.00 0.00 -1.84 0.00 0.00 35.03 29.38 1cw1 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cw1 n GLY 59 N -1.67 1.27 0.15 0.72 0.00 -1.02 -4.89 105.19 99.76 1cw1 n GLY 59 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1cw1 n GLY 59 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1cw1 h GLU 60 N 2.77 0.12 -6.56 1.61 4.39 -1.21 -3.45 114.58 112.25 1cw1 h GLU 60 Ca 0.00 -0.08 -0.65 0.00 0.34 0.00 0.00 59.36 58.97 1cw1 h GLU 60 Cb 0.00 0.01 -0.17 0.00 -0.10 0.00 0.00 28.75 28.50 1cw1 h GLU 60 CO 0.00 0.70 -0.77 1.03 -1.16 0.00 0.00 179.01 178.80 1cw1 s ARG 61 N -3.66 1.80 -0.28 2.33 0.52 -1.26 -4.86 118.95 113.54 1cw1 s ARG 61 Ca -0.03 -1.35 -0.18 0.00 -0.52 0.00 0.00 55.73 53.65 1cw1 s ARG 61 Cb 0.12 -2.03 0.09 0.00 0.52 0.00 0.00 34.95 33.65 1cw1 s ARG 61 CO 0.78 0.43 0.75 0.21 0.02 0.00 0.00 175.30 177.49 1cw1 s LYS 62 N -2.66 0.68 0.07 3.54 2.20 0.06 -4.62 119.74 119.01 1cw1 s LYS 62 Ca 0.22 1.09 -0.24 0.00 -0.36 0.00 0.00 55.97 56.68 1cw1 s LYS 62 Cb -0.09 0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 36.36 1cw1 s LYS 62 CO 0.12 -0.13 0.74 0.42 -0.36 0.00 0.00 175.35 176.14 1cw1 s ILE 63 N 1.29 4.66 -0.58 5.43 1.01 -1.26 -3.67 121.20 128.09 1cw1 s ILE 63 Ca -0.07 1.58 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 1cw1 s ILE 63 Cb -0.05 -4.08 0.15 0.00 0.01 0.00 0.00 42.46 38.48 1cw1 s ILE 63 CO -0.15 0.42 0.49 -0.44 0.00 0.00 0.00 174.94 175.27 1cw1 s SER 64 N -0.41 6.07 0.17 3.58 0.01 0.49 -4.98 113.70 118.63 1cw1 s SER 64 Ca 0.36 -2.08 -0.30 0.00 1.31 0.00 0.00 55.95 55.24 1cw1 s SER 64 Cb -0.21 -2.12 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 1cw1 s SER 64 CO 0.23 -0.71 1.33 0.26 0.41 0.00 0.00 173.24 174.76 1cw1 s TRP 65 N 1.12 3.25 -0.19 2.43 0.52 -1.26 -1.12 118.94 123.70 1cw1 s TRP 65 Ca 0.08 1.13 -0.00 0.00 0.02 0.00 0.00 56.10 57.33 1cw1 s TRP 65 Cb -0.24 -3.63 0.05 0.00 -1.15 0.00 0.00 33.47 28.50 1cw1 s TRP 65 CO -0.01 -2.04 -0.05 1.41 0.02 0.00 0.00 176.95 176.28 1cw1 s MET 66 N 0.32 1.49 0.01 4.98 1.75 -0.26 -4.84 119.30 122.75 1cw1 s MET 66 Ca 0.59 -0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 54.06 1cw1 s MET 66 Cb -0.36 -2.21 -0.05 0.00 2.84 0.00 0.00 34.83 35.05 1cw1 s MET 66 CO 0.35 -0.49 1.18 -2.00 -0.65 0.00 0.00 175.02 173.42 1cw1 s GLU 67 N 1.56 4.41 0.40 4.11 2.12 -1.26 -0.77 118.70 129.27 1cw1 s GLU 67 Ca -0.01 1.71 0.06 0.00 0.36 0.00 0.00 54.97 57.08 1cw1 s GLU 67 Cb -0.16 -3.43 -0.07 0.00 0.26 0.00 0.00 34.13 30.72 1cw1 s GLU 67 CO -0.07 -0.31 0.02 0.96 -0.54 0.00 0.00 175.26 175.32 1cw1 s ILE 68 N 1.47 1.79 0.07 -3.70 -4.36 -0.19 -4.62 121.20 111.67 1cw1 s ILE 68 Ca 0.57 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 59.04 1cw1 s ILE 68 Cb -0.27 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1cw1 s ILE 68 CO 0.27 0.00 -0.20 -0.31 0.24 0.00 0.00 174.94 174.93 1cw1 s TYR 69 N -2.82 1.78 -0.27 1.37 2.02 -1.26 -4.28 117.35 113.87 1cw1 s TYR 69 Ca 0.33 -0.39 -0.25 0.00 -0.37 0.00 0.00 57.07 56.38 1cw1 s TYR 69 Cb 0.09 -1.02 0.13 0.00 -0.40 0.00 0.00 41.96 40.76 1cw1 s TYR 69 CO 0.17 0.14 1.06 0.99 -1.57 0.00 0.00 175.55 176.34 1cw1 s THR 70 N -0.97 0.00 0.00 -0.71 2.01 -1.26 -4.37 115.64 110.34 1cw1 s THR 70 Ca 0.07 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1cw1 s THR 70 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1cw1 s THR 70 CO 0.03 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1cw1 n GLY 71 N 2.04 -1.57 0.30 4.40 0.00 0.73 -4.29 105.19 106.79 1cw1 n GLY 71 Ca -0.12 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.17 1cw1 n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cw1 h GLU 72 N 0.00 0.66 0.00 1.61 4.57 -1.88 -0.56 114.58 118.98 1cw1 h GLU 72 Ca 0.00 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1cw1 h GLU 72 Cb 0.00 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1cw1 h GLU 72 CO 0.00 0.43 -0.17 -0.22 -1.18 0.00 0.00 179.01 177.88 1cw1 h LYS 73 N 0.68 0.00 -0.51 1.92 3.64 -1.93 -2.15 116.57 118.22 1cw1 h LYS 73 Ca 0.42 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.67 1cw1 h LYS 73 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1cw1 h LYS 73 CO -0.31 0.17 -0.17 1.03 -2.27 0.00 0.00 179.45 177.90 1cw1 h SER 74 N 0.00 1.03 -0.09 4.20 0.87 -1.28 -0.61 113.55 117.67 1cw1 h SER 74 Ca -0.00 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.12 1cw1 h SER 74 Cb 0.33 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1cw1 h SER 74 CO 0.02 1.18 -0.14 0.71 -0.53 0.00 0.00 176.83 178.07 1cw1 h THR 75 N 0.89 1.23 0.00 2.23 1.35 -0.93 0.40 112.91 118.08 1cw1 h THR 75 Ca 0.12 -1.01 -0.15 0.00 -0.55 0.00 0.00 66.41 64.83 1cw1 h THR 75 Cb 0.75 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1cw1 h THR 75 CO 0.06 0.32 -0.71 1.56 -0.25 0.00 0.00 175.52 176.51 1cw1 h GLN 76 N 0.41 0.00 0.10 4.72 1.08 -1.20 0.41 115.11 120.63 1cw1 h GLN 76 Ca 0.08 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.02 1cw1 h GLN 76 Cb 0.49 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1cw1 h GLN 76 CO 0.03 0.71 -1.33 0.28 -0.95 0.00 0.00 178.83 177.56 1cw1 h VAL 77 N 0.00 1.06 -0.01 -0.54 2.07 -0.61 -3.40 116.25 114.82 1cw1 h VAL 77 Ca -0.01 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1cw1 h VAL 77 Cb 1.34 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1cw1 h VAL 77 CO 0.09 0.67 -0.43 -1.22 0.02 0.00 0.00 177.57 176.71 1cw1 n TYR 78 N -3.99 0.00 0.00 1.57 0.53 0.14 -5.04 117.16 110.36 1cw1 n TYR 78 Ca -0.25 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.63 1cw1 n TYR 78 Cb 0.86 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.17 1cw1 n TYR 78 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1cw1 n GLY 79 N 1.16 2.39 0.02 2.72 0.00 0.14 -4.83 105.19 106.80 1cw1 n GLY 79 Ca 0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.00 1cw1 n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cw1 n GLN 80 N 0.01 -0.02 -0.47 1.61 7.27 -1.24 -1.63 117.38 122.91 1cw1 n GLN 80 Ca 0.00 0.22 0.08 0.00 0.07 0.00 0.00 57.00 57.37 1cw1 n GLN 80 Cb 0.00 -0.33 0.29 0.00 2.41 0.00 0.00 30.24 32.61 1cw1 n GLN 80 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1cw1 n ASP 81 N -2.75 3.88 -4.42 1.69 4.64 -1.26 -4.79 116.55 113.54 1cw1 n ASP 81 Ca 0.00 -2.29 -0.45 0.00 -1.38 0.00 0.00 54.79 50.68 1cw1 n ASP 81 Cb 0.01 -0.50 -0.01 0.00 -1.04 0.00 0.00 41.12 39.58 1cw1 n ASP 81 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1cw1 s VAL 82 N -1.66 5.17 -0.05 5.18 1.01 -0.65 -4.75 120.40 124.65 1cw1 s VAL 82 Ca 0.42 -2.31 0.07 0.00 0.00 0.00 0.00 61.98 60.17 1cw1 s VAL 82 Cb 0.26 -4.73 -0.24 0.00 0.00 0.00 0.00 36.38 31.67 1cw1 s VAL 82 CO 0.22 -1.40 0.62 -0.50 0.00 0.00 0.00 175.10 174.04 1cw1 h TRP 83 N 7.86 0.14 -2.25 5.22 4.06 -1.86 -2.51 115.95 126.61 1cw1 h TRP 83 Ca 0.20 -0.10 -0.42 0.00 2.06 0.00 0.00 58.89 60.62 1cw1 h TRP 83 Cb 0.96 -0.01 -0.34 0.00 -1.00 0.00 0.00 29.16 28.77 1cw1 h TRP 83 CO 1.07 1.20 -0.72 -1.17 -3.56 0.00 0.00 178.44 175.26 1cw1 s LEU 84 N -6.37 0.18 0.47 -4.49 2.96 -1.26 -0.19 118.68 109.97 1cw1 s LEU 84 Ca -0.09 -1.44 -0.24 0.00 -0.22 0.00 0.00 54.13 52.14 1cw1 s LEU 84 Cb 0.08 0.23 -0.07 0.00 0.50 0.00 0.00 46.19 46.92 1cw1 s LEU 84 CO 0.81 -0.33 1.29 -2.84 -1.32 0.00 0.00 176.35 173.97 1cw1 s PRO 85 N 1.70 3.64 0.31 0.98 0.02 -1.26 -4.92 135.00 135.46 1cw1 s PRO 85 Ca 0.14 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.27 1cw1 s PRO 85 Cb -0.17 -2.50 0.55 0.00 0.02 0.00 0.00 34.50 32.40 1cw1 s PRO 85 CO -0.15 -0.75 1.91 0.00 -0.33 0.00 0.00 177.00 177.69 1cw1 h ALA 86 N 2.11 1.53 -0.04 -1.55 0.00 -2.01 -1.46 119.26 117.84 1cw1 h ALA 86 Ca -0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cw1 h ALA 86 Cb 1.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1cw1 h ALA 86 CO 0.60 0.34 0.02 1.05 0.00 0.00 0.00 179.25 181.25 1cw1 h GLU 87 N 1.01 0.06 -0.59 0.00 4.11 -1.98 -1.65 114.58 115.54 1cw1 h GLU 87 Ca 0.38 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.74 1cw1 h GLU 87 Cb 0.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1cw1 h GLU 87 CO -0.14 0.05 0.08 1.15 0.07 0.00 0.00 179.01 180.22 1cw1 h THR 88 N 0.06 1.26 -0.42 -1.06 2.02 -1.56 0.63 112.91 113.84 1cw1 h THR 88 Ca 0.02 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.06 1cw1 h THR 88 Cb 0.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1cw1 h THR 88 CO -0.00 0.37 -0.24 -0.07 0.37 0.00 0.00 175.52 175.95 1cw1 h LEU 89 N 0.89 0.89 -0.20 2.58 3.38 -1.41 -1.79 115.31 119.66 1cw1 h LEU 89 Ca 0.18 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1cw1 h LEU 89 Cb 0.44 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1cw1 h LEU 89 CO 0.01 1.09 0.01 0.44 0.09 0.00 0.00 178.44 180.09 1cw1 h ASP 90 N 0.75 0.34 -0.34 -0.43 3.32 -0.87 -2.63 116.42 116.56 1cw1 h ASP 90 Ca 0.10 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1cw1 h ASP 90 Cb 0.79 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1cw1 h ASP 90 CO 0.07 0.54 0.20 -0.07 -1.72 0.00 0.00 179.24 178.26 1cw1 h LEU 91 N 0.13 0.42 -0.36 1.55 -0.00 0.36 0.10 115.31 117.51 1cw1 h LEU 91 Ca 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1cw1 h LEU 91 Cb 0.36 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1cw1 h LEU 91 CO 0.01 0.36 0.23 0.40 -0.00 0.00 0.00 178.44 179.43 1cw1 h ILE 92 N 0.44 1.11 -0.41 1.22 2.04 -1.34 0.13 117.51 120.70 1cw1 h ILE 92 Ca 0.12 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1cw1 h ILE 92 Cb 0.02 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1cw1 h ILE 92 CO -0.02 0.10 0.16 -0.09 0.00 0.00 0.00 178.15 178.30 1cw1 h ARG 93 N 0.48 0.62 -0.11 2.37 9.65 -1.28 -1.35 114.38 124.76 1cw1 h ARG 93 Ca 0.13 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1cw1 h ARG 93 Cb -0.03 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 1cw1 h ARG 93 CO -0.03 0.59 0.07 1.49 2.80 0.00 0.00 179.97 184.89 1cw1 h GLU 94 N 0.53 0.15 -0.01 0.20 4.81 -0.41 -3.03 114.58 116.82 1cw1 h GLU 94 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1cw1 h GLU 94 Cb 0.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1cw1 h GLU 94 CO -0.01 0.13 0.00 0.66 -0.73 0.00 0.00 179.01 179.06 1cw1 n TYR 95 N -4.99 0.00 0.00 0.92 4.01 0.43 -4.80 117.16 112.73 1cw1 n TYR 95 Ca -0.05 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1cw1 n TYR 95 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1cw1 n TYR 95 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1cw1 n ARG 96 N -0.26 0.00 -4.30 -0.72 5.12 -0.52 -4.39 116.66 111.60 1cw1 n ARG 96 Ca 0.21 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.92 1cw1 n ARG 96 Cb 0.26 -0.63 -0.16 0.00 -1.16 0.00 0.00 32.46 30.77 1cw1 n ARG 96 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1cw1 s VAL 97 N 0.00 0.69 0.14 1.55 1.01 -1.26 -0.88 120.40 121.65 1cw1 s VAL 97 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1cw1 s VAL 97 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1cw1 s VAL 97 CO 0.00 0.24 0.29 0.00 0.00 0.00 0.00 175.10 175.64 1cw1 s ALA 98 N 0.61 -0.27 0.04 5.51 0.00 -0.73 -3.85 121.76 123.07 1cw1 s ALA 98 Ca -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1cw1 s ALA 98 Cb -0.12 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1cw1 s ALA 98 CO 0.01 -0.62 -0.04 -1.50 0.00 0.00 0.00 175.76 173.61 1cw1 s ILE 99 N -3.91 0.29 0.04 0.00 2.07 -1.02 -0.48 121.20 118.19 1cw1 s ILE 99 Ca 0.11 -1.35 -0.14 0.00 -1.41 0.00 0.00 60.65 57.87 1cw1 s ILE 99 Cb 0.03 -0.89 0.02 0.00 0.13 0.00 0.00 42.46 41.75 1cw1 s ILE 99 CO -0.05 -0.68 0.30 -1.59 -1.91 0.00 0.00 174.94 171.01 1cw1 s LYS 100 N -2.54 0.79 0.28 3.50 -2.85 0.12 -1.26 119.74 117.78 1cw1 s LYS 100 Ca -0.04 -0.47 -0.03 0.00 -1.00 0.00 0.00 55.97 54.42 1cw1 s LYS 100 Cb -0.03 0.34 0.06 0.00 -2.06 0.00 0.00 37.83 36.15 1cw1 s LYS 100 CO -0.04 -0.25 0.38 0.41 0.10 0.00 0.00 175.35 175.95 1cw1 n GLY 101 N 0.67 -0.39 3.76 0.59 0.00 -0.38 -1.62 105.19 107.81 1cw1 n GLY 101 Ca -0.19 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1cw1 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cw1 s PRO 102 N -3.64 3.42 0.01 1.61 0.04 -1.26 -4.52 135.00 130.65 1cw1 s PRO 102 Ca 0.23 2.19 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1cw1 s PRO 102 Cb -0.01 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1cw1 s PRO 102 CO 0.16 -0.95 -0.17 -0.51 0.04 0.00 0.00 177.00 175.56 1cw1 s LEU 103 N -3.19 2.08 0.08 -3.56 1.02 -1.26 0.32 118.68 114.17 1cw1 s LEU 103 Ca 0.67 -0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.52 1cw1 s LEU 103 Cb -0.39 -0.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 1cw1 s LEU 103 CO 0.47 0.17 -0.21 0.28 0.02 0.00 0.00 176.35 177.08 1cw1 s THR 104 N -0.56 1.72 -0.16 5.49 -1.32 -1.26 -4.85 115.64 114.70 1cw1 s THR 104 Ca 0.06 -1.44 -0.05 0.00 -1.21 0.00 0.00 61.69 59.05 1cw1 s THR 104 Cb -0.07 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.34 1cw1 s THR 104 CO 0.00 0.04 0.01 -0.89 -2.21 0.00 0.00 174.62 171.57 1cw1 s THR 105 N -1.03 4.32 0.56 5.08 2.01 -1.26 -4.71 115.64 120.60 1cw1 s THR 105 Ca 0.07 -0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.67 1cw1 s THR 105 Cb -0.10 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1cw1 s THR 105 CO 0.03 0.50 1.12 -2.16 -0.69 0.00 0.00 174.62 173.42 1cw1 s PRO 106 N 0.17 3.31 0.09 4.92 0.04 -1.26 -5.06 135.00 137.21 1cw1 s PRO 106 Ca 0.01 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.68 1cw1 s PRO 106 Cb -0.13 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1cw1 s PRO 106 CO 0.02 -0.87 -0.12 0.14 0.04 0.00 0.00 177.00 176.21 1cw1 s VAL 107 N -1.87 3.25 0.00 -0.36 -7.23 -1.26 -4.59 120.40 108.34 1cw1 s VAL 107 Ca 0.72 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1cw1 s VAL 107 Cb -0.23 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1cw1 s VAL 107 CO 0.28 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.86 1cw1 n GLY 108 N 0.93 1.04 0.71 2.32 0.00 -1.26 -4.91 105.19 104.02 1cw1 n GLY 108 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1cw1 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw1 n GLY 109 N -1.55 1.62 2.40 -0.02 0.00 -1.26 -4.98 105.19 101.40 1cw1 n GLY 109 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 1cw1 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw1 n GLY 110 N 0.78 0.49 3.78 -0.02 0.00 -1.26 -5.00 105.19 103.96 1cw1 n GLY 110 Ca 0.12 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1cw1 n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cw1 s ILE 111 N -1.76 4.34 0.25 -0.61 1.01 -1.26 -5.07 121.20 118.10 1cw1 s ILE 111 Ca 0.00 1.73 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1cw1 s ILE 111 Cb 0.00 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1cw1 s ILE 111 CO 0.00 0.49 0.39 -0.13 0.00 0.00 0.00 174.94 175.69 1cw1 s ARG 112 N -1.23 3.45 -0.22 2.79 0.52 -1.26 -4.89 118.95 118.11 1cw1 s ARG 112 Ca 0.37 -0.68 -0.25 0.00 -0.52 0.00 0.00 55.73 54.66 1cw1 s ARG 112 Cb -0.23 -2.86 -0.11 0.00 0.52 0.00 0.00 34.95 32.27 1cw1 s ARG 112 CO 0.26 0.39 0.82 0.45 0.02 0.00 0.00 175.30 177.24 1cw1 n SER 113 N -1.41 0.54 0.06 0.23 2.88 -1.26 -4.82 113.62 109.84 1cw1 n SER 113 Ca -0.08 0.64 -0.04 0.00 -1.33 0.00 0.00 58.87 58.06 1cw1 n SER 113 Cb 0.57 -0.48 0.18 0.00 -0.75 0.00 0.00 64.21 63.73 1cw1 n SER 113 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1cw1 h LEU 114 N 2.52 0.36 -0.36 2.46 3.38 -1.94 -0.77 115.31 120.95 1cw1 h LEU 114 Ca -0.25 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1cw1 h LEU 114 Cb 0.75 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1cw1 h LEU 114 CO 0.50 0.74 0.03 0.78 0.09 0.00 0.00 178.44 180.58 1cw1 h ASN 115 N 0.28 0.60 -0.35 -0.43 2.35 -1.91 -1.12 115.58 115.01 1cw1 h ASN 115 Ca 0.02 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 1cw1 h ASN 115 Cb 0.86 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1cw1 h ASN 115 CO 0.07 0.73 -0.10 0.58 -1.65 0.00 0.00 177.43 177.06 1cw1 h VAL 116 N 0.45 1.26 -0.35 2.81 2.07 -1.89 -2.38 116.25 118.21 1cw1 h VAL 116 Ca 0.11 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1cw1 h VAL 116 Cb 0.41 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1cw1 h VAL 116 CO 0.01 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.19 1cw1 h ALA 117 N 1.17 0.43 -0.45 1.67 0.00 -0.76 0.90 119.26 122.22 1cw1 h ALA 117 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cw1 h ALA 117 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1cw1 h ALA 117 CO 0.04 -0.17 0.29 -0.07 0.00 0.00 0.00 179.25 179.34 1cw1 h LEU 118 N 0.40 0.53 0.16 0.00 3.38 -1.02 -0.83 115.31 117.93 1cw1 h LEU 118 Ca 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1cw1 h LEU 118 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1cw1 h LEU 118 CO -0.08 0.40 -0.08 0.03 0.09 0.00 0.00 178.44 178.80 1cw1 h ARG 119 N 0.61 -0.21 -0.03 1.13 3.08 -1.01 -2.62 114.38 115.34 1cw1 h ARG 119 Ca 0.16 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1cw1 h ARG 119 Cb -0.05 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1cw1 h ARG 119 CO -0.03 -0.00 0.01 1.96 -1.07 0.00 0.00 179.97 180.84 1cw1 h GLN 120 N -0.38 0.04 0.00 0.04 4.20 -0.76 0.96 115.11 119.21 1cw1 h GLN 120 Ca -0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1cw1 h GLN 120 Cb 0.30 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1cw1 h GLN 120 CO 0.04 0.19 -0.27 0.93 -0.67 0.00 0.00 178.83 179.04 1cw1 h GLU 121 N -0.11 0.00 -0.21 1.46 5.08 -1.23 -2.04 114.58 117.53 1cw1 h GLU 121 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1cw1 h GLU 121 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1cw1 h GLU 121 CO -0.00 0.27 0.00 1.28 -1.00 0.00 0.00 179.01 179.56 1cw1 n LEU 122 N -4.17 2.81 -3.89 1.33 4.77 -0.99 -4.96 117.00 111.91 1cw1 n LEU 122 Ca -0.02 -1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 54.57 1cw1 n LEU 122 Cb 0.32 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1cw1 n LEU 122 CO 0.37 0.55 0.04 -0.67 -1.33 0.00 0.00 177.39 176.35 1cw1 n ASP 123 N 1.11 -3.61 -4.48 -1.43 2.03 -0.50 -4.86 116.55 104.82 1cw1 n ASP 123 Ca 0.17 -0.82 -0.43 0.00 0.52 0.00 0.00 54.79 54.23 1cw1 n ASP 123 Cb 0.53 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.12 1cw1 n ASP 123 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1cw1 n LEU 124 N -4.56 5.17 0.01 -2.67 4.77 0.21 -4.49 117.00 115.45 1cw1 n LEU 124 Ca -0.06 -4.21 0.06 0.00 -0.03 0.00 0.00 56.01 51.77 1cw1 n LEU 124 Cb 0.57 -1.68 0.29 0.00 -2.33 0.00 0.00 43.42 40.27 1cw1 n LEU 124 CO 0.75 0.49 0.71 0.00 -1.33 0.00 0.00 177.39 178.01 1cw1 n TYR 125 N 6.84 0.08 -4.05 -1.77 0.18 -1.10 -4.50 117.16 112.85 1cw1 n TYR 125 Ca 0.43 0.03 -0.35 0.00 1.88 0.00 0.00 57.90 59.90 1cw1 n TYR 125 Cb 0.44 -0.56 -0.14 0.00 -0.38 0.00 0.00 39.34 38.71 1cw1 n TYR 125 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1cw1 s ILE 126 N -3.04 3.49 -0.40 -3.48 1.01 -0.56 -0.87 121.20 117.36 1cw1 s ILE 126 Ca 0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.15 1cw1 s ILE 126 Cb 0.08 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 40.04 1cw1 s ILE 126 CO 0.24 0.44 0.23 0.00 0.00 0.00 0.00 174.94 175.85 1cw1 s LEU 128 N 1.44 4.21 -0.39 0.00 2.96 0.84 -1.03 118.68 126.72 1cw1 s LEU 128 Ca 0.02 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1cw1 s LEU 128 Cb -0.22 -2.27 0.12 0.00 0.50 0.00 0.00 46.19 44.32 1cw1 s LEU 128 CO 0.03 -0.20 0.17 -0.13 -1.32 0.00 0.00 176.35 174.90 1cw1 s ARG 129 N 1.92 1.16 0.05 1.98 1.81 -0.09 -1.44 118.95 124.34 1cw1 s ARG 129 Ca 0.10 -1.71 -0.26 0.00 -1.72 0.00 0.00 55.73 52.14 1cw1 s ARG 129 Cb -0.16 -2.40 -0.05 0.00 -0.45 0.00 0.00 34.95 31.88 1cw1 s ARG 129 CO 0.11 -1.07 0.82 -1.25 -0.68 0.00 0.00 175.30 173.23 1cw1 s PRO 130 N 0.81 4.55 -0.18 3.54 0.04 -1.26 -0.60 135.00 141.90 1cw1 s PRO 130 Ca 0.14 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1cw1 s PRO 130 Cb -0.21 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 30.99 1cw1 s PRO 130 CO -0.09 0.24 -0.08 0.08 0.04 0.00 0.00 177.00 177.19 1cw1 s VAL 131 N 0.05 1.33 0.28 -0.36 1.01 0.70 -4.50 120.40 118.91 1cw1 s VAL 131 Ca 0.41 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1cw1 s VAL 131 Cb -0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1cw1 s VAL 131 CO 0.25 0.16 0.09 0.00 0.00 0.00 0.00 175.10 175.60 1cw1 s ARG 132 N 1.54 1.50 -0.11 2.72 1.70 -1.26 -1.01 118.95 124.02 1cw1 s ARG 132 Ca 0.00 -1.83 -0.05 0.00 -0.47 0.00 0.00 55.73 53.39 1cw1 s ARG 132 Cb -0.16 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1cw1 s ARG 132 CO -0.08 -0.29 0.07 -0.47 -1.08 0.00 0.00 175.30 173.45 1cw1 s TYR 133 N -3.61 3.35 -0.31 5.89 5.04 -1.22 -4.95 117.35 121.54 1cw1 s TYR 133 Ca 0.37 0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 55.23 1cw1 s TYR 133 Cb 0.08 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.50 1cw1 s TYR 133 CO 0.14 0.54 0.12 0.71 -1.34 0.00 0.00 175.55 175.72 1cw1 s TYR 134 N -0.79 3.16 0.06 4.97 2.02 -1.26 -4.99 117.35 120.52 1cw1 s TYR 134 Ca 0.13 -0.82 -0.37 0.00 -0.37 0.00 0.00 57.07 55.64 1cw1 s TYR 134 Cb -0.12 -2.30 -0.17 0.00 -0.40 0.00 0.00 41.96 38.97 1cw1 s TYR 134 CO 0.03 -0.53 1.31 0.94 -1.57 0.00 0.00 175.55 175.73 1cw1 n GLN 135 N 4.92 0.98 0.00 -0.62 -0.06 -1.26 -1.46 117.38 119.87 1cw1 n GLN 135 Ca -0.14 0.35 0.00 0.00 -2.00 0.00 0.00 57.00 55.21 1cw1 n GLN 135 Cb 0.48 -1.97 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 1cw1 n GLN 135 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1cw1 n GLY 136 N 2.43 0.63 3.70 1.69 0.00 -1.26 -3.56 105.19 108.81 1cw1 n GLY 136 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1cw1 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cw1 s THR 137 N -2.13 4.33 -0.12 2.61 2.01 -0.54 -4.90 115.64 116.91 1cw1 s THR 137 Ca 0.00 1.66 -0.29 0.00 0.31 0.00 0.00 61.69 63.37 1cw1 s THR 137 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1cw1 s THR 137 CO 0.00 0.05 1.63 -2.16 -0.69 0.00 0.00 174.62 173.45 1cw1 s PRO 138 N 1.75 4.03 0.13 4.92 0.04 -1.26 -4.90 135.00 139.70 1cw1 s PRO 138 Ca 0.55 1.98 0.11 0.00 0.04 0.00 0.00 61.00 63.68 1cw1 s PRO 138 Cb -0.25 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1cw1 s PRO 138 CO 0.24 -1.02 -0.26 0.45 0.04 0.00 0.00 177.00 176.45 1cw1 s SER 139 N 3.68 3.23 0.00 6.66 0.15 -1.26 -4.38 113.70 121.78 1cw1 s SER 139 Ca 0.72 -0.74 0.28 0.00 0.70 0.00 0.00 55.95 56.91 1cw1 s SER 139 Cb -0.30 -0.21 1.13 0.00 -1.71 0.00 0.00 66.02 64.93 1cw1 s SER 139 CO 0.28 0.17 1.85 -0.81 1.20 0.00 0.00 173.24 175.93 1cw1 n PRO 140 N 0.94 0.03 -4.08 5.44 -0.04 -1.26 -4.86 135.00 131.17 1cw1 n PRO 140 Ca -0.18 -0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.06 1cw1 n PRO 140 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1cw1 n PRO 140 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cw1 s VAL 141 N -2.97 4.65 0.18 0.52 -7.23 -1.26 -5.04 120.40 109.24 1cw1 s VAL 141 Ca 0.14 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.96 1cw1 s VAL 141 Cb 0.19 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1cw1 s VAL 141 CO 0.55 -0.35 1.52 0.11 -0.31 0.00 0.00 175.10 176.63 1cw1 h LYS 142 N 1.41 0.69 -2.08 4.82 1.57 -1.94 -3.39 116.57 117.66 1cw1 h LYS 142 Ca -0.49 -0.39 -0.57 0.00 -1.87 0.00 0.00 60.65 57.33 1cw1 h LYS 142 Cb 1.24 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 1cw1 h LYS 142 CO 0.61 1.00 -0.93 0.72 -0.57 0.00 0.00 179.45 180.28 1cw1 n HIS 143 N -4.01 1.20 0.27 -1.35 8.25 -1.26 -4.92 115.22 113.40 1cw1 n HIS 143 Ca -0.02 -3.80 0.14 0.00 -0.26 0.00 0.00 57.72 53.78 1cw1 n HIS 143 Cb 0.56 -0.43 0.77 0.00 1.12 0.00 0.00 29.99 32.01 1cw1 n HIS 143 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cw1 h PRO 144 N 3.92 0.00 0.00 -0.41 0.13 -1.86 -2.65 132.00 131.13 1cw1 h PRO 144 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1cw1 h PRO 144 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1cw1 h PRO 144 CO 0.60 0.09 0.00 -0.85 -0.23 0.00 0.00 178.00 177.62 1cw1 n GLU 145 N -3.50 0.15 0.00 0.86 0.00 -1.26 -1.31 120.64 115.58 1cw1 n GLU 145 Ca -0.02 0.54 0.15 0.00 0.00 0.00 0.00 57.16 57.83 1cw1 n GLU 145 Cb 0.23 -1.89 0.72 0.00 0.00 0.00 0.00 31.44 30.50 1cw1 n GLU 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1cw1 n LEU 146 N -2.19 0.00 -4.57 -1.84 4.77 -1.00 -4.73 117.00 107.44 1cw1 n LEU 146 Ca 0.00 0.34 -0.40 0.00 -0.03 0.00 0.00 56.01 55.92 1cw1 n LEU 146 Cb 0.11 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1cw1 n LEU 146 CO 0.13 0.00 0.07 -0.89 -1.33 0.00 0.00 177.39 175.37 1cw1 s THR 147 N -2.69 5.15 -0.45 -5.08 2.01 -0.43 -3.40 115.64 110.75 1cw1 s THR 147 Ca 0.24 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.59 1cw1 s THR 147 Cb 0.20 -3.78 0.18 0.00 0.01 0.00 0.00 72.50 69.10 1cw1 s THR 147 CO 0.48 -0.00 0.52 -0.62 -0.69 0.00 0.00 174.62 174.31 1cw1 s ASP 148 N 1.70 0.05 0.26 3.53 3.68 -1.25 -3.40 116.67 121.24 1cw1 s ASP 148 Ca 0.14 -2.11 0.10 0.00 2.13 0.00 0.00 52.55 52.81 1cw1 s ASP 148 Cb -0.16 0.84 -0.05 0.00 -1.45 0.00 0.00 42.92 42.09 1cw1 s ASP 148 CO 0.11 -0.14 -0.16 -0.04 0.13 0.00 0.00 175.17 175.07 1cw1 s MET 149 N 0.76 1.56 -0.15 4.34 -1.94 -0.18 -4.56 119.30 119.14 1cw1 s MET 149 Ca 0.28 -1.72 -0.01 0.00 -1.71 0.00 0.00 55.69 52.52 1cw1 s MET 149 Cb -0.02 -1.50 0.04 0.00 2.01 0.00 0.00 34.83 35.36 1cw1 s MET 149 CO -0.10 0.24 -0.02 0.08 -0.01 0.00 0.00 175.02 175.22 1cw1 s VAL 150 N -2.71 0.79 -0.23 -6.03 1.01 -0.23 -0.22 120.40 112.78 1cw1 s VAL 150 Ca 0.28 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 1cw1 s VAL 150 Cb -0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1cw1 s VAL 150 CO 0.12 0.09 0.42 -0.63 0.00 0.00 0.00 175.10 175.10 1cw1 s ILE 151 N 1.77 5.17 -0.54 2.22 -1.09 0.23 -0.59 121.20 128.37 1cw1 s ILE 151 Ca 0.02 0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 59.08 1cw1 s ILE 151 Cb -0.15 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.12 1cw1 s ILE 151 CO -0.07 0.20 0.40 -0.36 -1.23 0.00 0.00 174.94 173.88 1cw1 s PHE 152 N 1.66 3.48 -0.26 3.97 0.08 0.13 -0.91 117.98 126.13 1cw1 s PHE 152 Ca 0.19 -2.08 -0.11 0.00 0.12 0.00 0.00 56.93 55.04 1cw1 s PHE 152 Cb -0.15 -3.46 -0.05 0.00 -0.57 0.00 0.00 43.02 38.78 1cw1 s PHE 152 CO 0.09 -0.97 0.19 0.50 -0.10 0.00 0.00 175.22 174.93 1cw1 s ARG 153 N 0.94 4.02 0.20 0.44 3.52 -0.20 -1.64 118.95 126.23 1cw1 s ARG 153 Ca 0.09 -0.27 -0.32 0.00 -0.13 0.00 0.00 55.73 55.10 1cw1 s ARG 153 Cb -0.23 -3.60 -0.12 0.00 -1.56 0.00 0.00 34.95 29.44 1cw1 s ARG 153 CO -0.02 -0.07 1.73 -1.91 -0.81 0.00 0.00 175.30 174.22 1cw1 n GLU 154 N 4.69 2.77 -0.08 5.12 0.00 -0.44 -0.87 120.64 131.83 1cw1 n GLU 154 Ca -0.14 1.00 0.05 0.00 0.00 0.00 0.00 57.16 58.07 1cw1 n GLU 154 Cb 0.52 -2.85 0.09 0.00 0.00 0.00 0.00 31.44 29.20 1cw1 n GLU 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1cw1 n ASN 155 N 4.08 2.36 0.00 4.31 4.13 -0.05 -2.50 115.26 127.59 1cw1 n ASN 155 Ca 0.16 -1.72 0.00 0.00 1.68 0.00 0.00 54.58 54.71 1cw1 n ASN 155 Cb 0.35 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1cw1 n ASN 155 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1cw1 n SER 156 N 0.51 0.56 0.00 6.41 3.41 -1.26 -4.59 113.62 118.65 1cw1 n SER 156 Ca 0.08 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1cw1 n SER 156 Cb 0.34 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1cw1 n SER 156 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cw1 n GLU 157 N -0.33 2.20 -0.41 4.33 1.02 -1.26 -4.82 120.64 121.37 1cw1 n GLU 157 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1cw1 n GLU 157 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.42 1cw1 n GLU 157 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cw1 n ASP 158 N 0.00 -2.45 0.08 1.62 4.64 -0.57 -3.69 116.55 116.18 1cw1 n ASP 158 Ca 0.00 0.18 0.06 0.00 -1.38 0.00 0.00 54.79 53.65 1cw1 n ASP 158 Cb 0.00 -1.26 0.30 0.00 -1.04 0.00 0.00 41.12 39.13 1cw1 n ASP 158 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1cw1 n ILE 159 N -2.07 1.49 0.36 5.18 -6.64 -1.26 -0.76 119.36 115.66 1cw1 n ILE 159 Ca 0.00 0.62 0.13 0.00 -1.77 0.00 0.00 62.75 61.73 1cw1 n ILE 159 Cb 0.19 -1.62 0.55 0.00 -1.44 0.00 0.00 39.64 37.31 1cw1 n ILE 159 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 1cw1 h TYR 160 N 0.00 0.00 0.00 4.28 -1.99 -1.89 -2.87 116.97 114.50 1cw1 h TYR 160 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1cw1 h TYR 160 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1cw1 h TYR 160 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1cw1 h ALA 161 N 2.20 1.00 -0.36 3.88 0.00 -1.02 -3.46 119.26 121.50 1cw1 h ALA 161 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1cw1 h ALA 161 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cw1 h ALA 161 CO 0.00 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.59 1cw1 n GLY 162 N -1.03 0.29 3.44 0.00 0.00 -1.08 -5.02 105.19 101.78 1cw1 n GLY 162 Ca -0.01 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.78 1cw1 n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cw1 s ILE 163 N -2.13 5.11 0.15 -0.61 1.01 -1.26 -5.01 121.20 118.46 1cw1 s ILE 163 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 1cw1 s ILE 163 Cb 0.00 -4.12 0.06 0.00 0.01 0.00 0.00 42.46 38.42 1cw1 s ILE 163 CO 0.00 -0.55 0.84 -1.83 0.00 0.00 0.00 174.94 173.40 1cw1 s GLU 164 N 2.01 1.27 -0.00 2.79 -1.05 -1.26 -0.90 118.70 121.56 1cw1 s GLU 164 Ca 0.09 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1cw1 s GLU 164 Cb -0.20 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 33.97 1cw1 s GLU 164 CO 0.10 -0.58 0.00 -1.58 0.95 0.00 0.00 175.26 174.16 1cw1 s TRP 165 N -3.47 0.06 0.35 4.83 0.51 -0.28 -5.00 118.94 115.94 1cw1 s TRP 165 Ca 0.09 0.01 -0.28 0.00 -2.12 0.00 0.00 56.10 53.80 1cw1 s TRP 165 Cb -0.02 -0.08 -0.10 0.00 -0.81 0.00 0.00 33.47 32.45 1cw1 s TRP 165 CO -0.01 -0.02 1.33 0.21 -0.51 0.00 0.00 176.95 177.95 1cw1 s LYS 166 N 0.21 4.26 0.31 4.98 2.20 -1.26 -2.03 119.74 128.40 1cw1 s LYS 166 Ca -0.02 2.26 -0.29 0.00 -0.36 0.00 0.00 55.97 57.56 1cw1 s LYS 166 Cb -0.03 -3.01 -0.12 0.00 -1.51 0.00 0.00 37.83 33.16 1cw1 s LYS 166 CO -0.01 -0.29 1.42 0.00 -0.36 0.00 0.00 175.35 176.11 1cw1 n ALA 167 N 0.64 1.66 -0.89 3.13 0.00 -1.26 -1.54 120.51 122.25 1cw1 n ALA 167 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1cw1 n ALA 167 Cb 0.42 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1cw1 n ALA 167 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cw1 n ASP 168 N 1.41 -1.47 -4.85 0.00 10.43 -1.26 -4.88 116.55 115.94 1cw1 n ASP 168 Ca 0.07 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.11 1cw1 n ASP 168 Cb 0.35 -1.12 -0.03 0.00 1.84 0.00 0.00 41.12 42.16 1cw1 n ASP 168 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1cw1 s SER 169 N -2.41 6.61 0.28 -2.24 1.04 -0.59 -4.94 113.70 111.45 1cw1 s SER 169 Ca 0.00 1.50 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 1cw1 s SER 169 Cb 0.00 -2.48 0.40 0.00 0.10 0.00 0.00 66.02 64.04 1cw1 s SER 169 CO 0.00 -0.56 1.93 0.00 0.98 0.00 0.00 173.24 175.59 1cw1 h ALA 170 N 0.98 1.39 0.03 5.32 0.00 -1.95 -1.79 119.26 123.24 1cw1 h ALA 170 Ca -0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cw1 h ALA 170 Cb 1.18 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1cw1 h ALA 170 CO 0.62 0.52 -0.01 -0.44 0.00 0.00 0.00 179.25 179.93 1cw1 h ASP 171 N 1.18 -0.03 -0.67 0.00 3.45 -1.92 0.08 116.42 118.51 1cw1 h ASP 171 Ca 0.37 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.79 1cw1 h ASP 171 Cb -0.00 0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.72 1cw1 h ASP 171 CO -0.11 0.07 0.38 0.00 -1.57 0.00 0.00 179.24 178.01 1cw1 h ALA 172 N 0.84 0.90 -0.54 3.45 0.00 -1.67 0.63 119.26 122.87 1cw1 h ALA 172 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1cw1 h ALA 172 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1cw1 h ALA 172 CO 0.01 0.07 0.05 0.93 0.00 0.00 0.00 179.25 180.31 1cw1 h GLU 173 N 0.71 0.89 -0.44 0.00 5.08 -1.12 -0.03 114.58 119.67 1cw1 h GLU 173 Ca 0.30 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1cw1 h GLU 173 Cb 0.16 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1cw1 h GLU 173 CO -0.17 0.85 0.06 -0.22 -1.00 0.00 0.00 179.01 178.52 1cw1 h LYS 174 N 0.83 0.74 -0.04 2.33 3.64 0.14 0.15 116.57 124.36 1cw1 h LYS 174 Ca 0.17 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1cw1 h LYS 174 Cb 0.42 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1cw1 h LYS 174 CO 0.01 0.77 0.00 0.28 -2.27 0.00 0.00 179.45 178.25 1cw1 h VAL 175 N 0.59 1.25 -0.87 2.00 2.07 -0.60 -1.41 116.25 119.28 1cw1 h VAL 175 Ca 0.13 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1cw1 h VAL 175 Cb 0.40 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1cw1 h VAL 175 CO 0.01 0.20 0.57 0.40 0.02 0.00 0.00 177.57 178.77 1cw1 h ILE 176 N -0.23 1.18 -0.33 4.57 2.04 -0.93 0.60 117.51 124.41 1cw1 h ILE 176 Ca 0.01 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1cw1 h ILE 176 Cb 0.32 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1cw1 h ILE 176 CO 0.00 0.21 0.20 0.50 0.00 0.00 0.00 178.15 179.06 1cw1 h LYS 177 N 1.13 0.45 -0.03 2.37 3.64 -0.89 -0.85 116.57 122.39 1cw1 h LYS 177 Ca 0.33 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1cw1 h LYS 177 Cb -0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1cw1 h LYS 177 CO -0.09 0.34 -0.07 0.35 -2.27 0.00 0.00 179.45 177.70 1cw1 h PHE 178 N 0.42 -0.18 -0.35 1.91 3.57 -0.40 0.67 116.94 122.58 1cw1 h PHE 178 Ca 0.12 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1cw1 h PHE 178 Cb 0.01 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1cw1 h PHE 178 CO -0.04 -0.12 0.12 -0.07 -2.23 0.00 0.00 178.31 175.97 1cw1 h LEU 179 N -0.11 0.12 -0.08 0.59 3.38 -0.62 0.21 115.31 118.79 1cw1 h LEU 179 Ca 0.04 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1cw1 h LEU 179 Cb 0.17 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1cw1 h LEU 179 CO -0.10 0.11 -0.36 0.03 0.09 0.00 0.00 178.44 178.20 1cw1 h ARG 180 N 0.27 0.39 0.19 1.13 3.08 -0.99 -0.05 114.38 118.39 1cw1 h ARG 180 Ca 0.16 -0.31 -0.34 0.00 0.07 0.00 0.00 59.98 59.56 1cw1 h ARG 180 Cb 0.14 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1cw1 h ARG 180 CO -0.17 0.95 -1.63 0.93 -1.07 0.00 0.00 179.97 178.98 1cw1 h GLU 181 N -0.08 0.40 0.02 0.04 5.08 -0.85 -2.94 114.58 116.24 1cw1 h GLU 181 Ca -0.02 -0.68 -0.35 0.00 -1.00 0.00 0.00 59.36 57.30 1cw1 h GLU 181 Cb 1.01 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1cw1 h GLU 181 CO 0.08 1.30 -2.19 0.39 -1.00 0.00 0.00 179.01 177.59 1cw1 n GLU 182 N -3.59 0.68 0.00 2.33 -0.58 0.67 -4.39 120.64 115.75 1cw1 n GLU 182 Ca -0.21 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 56.78 1cw1 n GLU 182 Cb 1.08 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 30.35 1cw1 n GLU 182 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1cw1 n MET 183 N -3.03 0.34 -2.19 3.49 2.81 -0.85 -4.98 117.12 112.71 1cw1 n MET 183 Ca -0.32 -0.26 -0.15 0.00 -1.81 0.00 0.00 57.70 55.16 1cw1 n MET 183 Cb 1.08 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 32.08 1cw1 n MET 183 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cw1 n GLY 184 N 1.47 -0.05 3.70 3.03 0.00 -0.42 -4.94 105.19 107.99 1cw1 n GLY 184 Ca 0.06 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1cw1 n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cw1 s VAL 185 N -2.73 3.58 -0.33 1.61 1.01 -0.17 -4.90 120.40 118.47 1cw1 s VAL 185 Ca 0.00 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1cw1 s VAL 185 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1cw1 s VAL 185 CO 0.00 0.03 0.30 0.29 0.00 0.00 0.00 175.10 175.73 1cw1 n LYS 186 N 4.75 4.40 -0.16 2.72 4.01 -1.26 -4.42 118.16 128.20 1cw1 n LYS 186 Ca 0.12 -0.13 0.04 0.00 -0.51 0.00 0.00 58.31 57.83 1cw1 n LYS 186 Cb 0.43 -0.81 0.12 0.00 -0.51 0.00 0.00 35.03 34.27 1cw1 n LYS 186 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1cw1 n LYS 187 N -0.90 1.72 -2.84 1.97 5.02 -1.26 -4.73 118.16 117.14 1cw1 n LYS 187 Ca 0.01 -1.01 -0.43 0.00 -2.02 0.00 0.00 58.31 54.86 1cw1 n LYS 187 Cb 0.09 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1cw1 n LYS 187 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cw1 s ILE 188 N -1.63 4.29 0.20 -0.18 1.01 -1.26 -4.92 121.20 118.71 1cw1 s ILE 188 Ca 0.19 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1cw1 s ILE 188 Cb 0.10 -4.71 0.19 0.00 0.01 0.00 0.00 42.46 38.05 1cw1 s ILE 188 CO 0.12 -1.49 1.65 -0.09 0.00 0.00 0.00 174.94 175.13 1cw1 h ARG 189 N 9.58 0.04 -3.59 2.79 9.65 -2.01 -3.35 114.38 127.48 1cw1 h ARG 189 Ca -0.27 -0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.01 1cw1 h ARG 189 Cb 1.07 -0.01 -0.40 0.00 -1.39 0.00 0.00 29.97 29.24 1cw1 h ARG 189 CO 1.19 0.03 -0.75 -0.06 2.80 0.00 0.00 179.97 183.18 1cw1 s PHE 190 N -6.20 2.05 0.07 2.20 0.08 -1.26 -5.00 117.98 109.92 1cw1 s PHE 190 Ca -0.14 -2.05 0.33 0.00 0.12 0.00 0.00 56.93 55.19 1cw1 s PHE 190 Cb 0.18 -1.92 1.32 0.00 -0.57 0.00 0.00 43.02 42.03 1cw1 s PHE 190 CO 0.73 -0.87 1.97 -1.00 -0.10 0.00 0.00 175.22 175.95 1cw1 h PRO 191 N 7.74 0.00 -6.29 0.24 0.13 -2.00 -3.42 132.00 128.40 1cw1 h PRO 191 Ca -0.10 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 1cw1 h PRO 191 Cb 1.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 1cw1 h PRO 191 CO 0.48 0.00 -0.14 -1.21 -0.23 0.00 0.00 178.00 176.90 1cw1 s GLU 192 N -3.64 3.88 -1.34 0.86 2.02 -1.26 -4.17 118.70 115.04 1cw1 s GLU 192 Ca 0.01 0.35 -0.03 0.00 0.02 0.00 0.00 54.97 55.33 1cw1 s GLU 192 Cb 0.09 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 1cw1 s GLU 192 CO 0.55 0.46 0.55 0.72 0.02 0.00 0.00 175.26 177.56 1cw1 n HIS 193 N 0.61 -1.76 -4.30 1.61 8.25 -1.26 -4.95 115.22 113.41 1cw1 n HIS 193 Ca -0.05 0.74 -0.30 0.00 -0.26 0.00 0.00 57.72 57.86 1cw1 n HIS 193 Cb 0.52 -3.92 -0.17 0.00 1.12 0.00 0.00 29.99 27.55 1cw1 n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cw1 s GLY 195 N 1.17 2.37 -0.02 0.00 0.00 -1.26 -4.13 107.32 105.45 1cw1 s GLY 195 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.87 1cw1 s GLY 195 CO -0.05 0.36 -0.14 -0.42 0.00 0.00 0.00 173.10 172.85 1cw1 s ILE 196 N -1.99 1.13 0.06 0.90 -1.09 -0.86 -4.94 121.20 114.41 1cw1 s ILE 196 Ca 0.55 -0.59 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1cw1 s ILE 196 Cb -0.11 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.79 1cw1 s ILE 196 CO 0.17 0.32 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.22 1cw1 s GLY 197 N -0.17 0.86 -0.13 6.18 0.00 -1.26 -1.12 107.32 111.69 1cw1 s GLY 197 Ca 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.79 1cw1 s GLY 197 CO 0.00 -0.93 -0.06 -0.42 0.00 0.00 0.00 173.10 171.70 1cw1 s ILE 198 N -1.03 3.73 -0.36 0.90 -1.09 -0.08 -4.99 121.20 118.28 1cw1 s ILE 198 Ca 0.01 -0.43 -0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1cw1 s ILE 198 Cb -0.09 -2.59 0.09 0.00 -1.58 0.00 0.00 42.46 38.29 1cw1 s ILE 198 CO 0.02 0.53 0.11 -0.75 -1.23 0.00 0.00 174.94 173.61 1cw1 s LYS 199 N 0.00 1.92 0.05 2.79 2.20 -1.26 -4.23 119.74 121.20 1cw1 s LYS 199 Ca -0.00 -1.72 -0.00 0.00 -0.36 0.00 0.00 55.97 53.88 1cw1 s LYS 199 Cb -0.13 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1cw1 s LYS 199 CO 0.03 -0.93 0.20 -1.25 -0.36 0.00 0.00 175.35 173.04 1cw1 s PRO 200 N 1.08 3.41 -0.23 4.03 0.04 -1.26 -4.91 135.00 137.15 1cw1 s PRO 200 Ca 0.06 -0.44 -0.04 0.00 0.04 0.00 0.00 61.00 60.62 1cw1 s PRO 200 Cb -0.21 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.42 1cw1 s PRO 200 CO -0.05 0.62 0.42 0.00 0.04 0.00 0.00 177.00 178.03 1cw1 s SER 202 N 2.61 5.11 0.08 0.00 1.04 -1.26 -4.90 113.70 116.39 1cw1 s SER 202 Ca 0.07 -0.55 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 1cw1 s SER 202 Cb -0.14 -0.94 -0.08 0.00 0.10 0.00 0.00 66.02 64.96 1cw1 s SER 202 CO -0.15 -0.29 1.50 -0.08 0.98 0.00 0.00 173.24 175.20 1cw1 h GLU 203 N 1.38 0.48 -0.42 4.02 4.81 -1.99 -0.85 114.58 122.01 1cw1 h GLU 203 Ca -0.45 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.54 1cw1 h GLU 203 Cb 1.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1cw1 h GLU 203 CO 0.60 0.67 -0.05 1.49 -0.73 0.00 0.00 179.01 180.99 1cw1 h GLU 204 N 0.24 0.72 -0.24 1.92 4.81 -1.98 0.10 114.58 120.15 1cw1 h GLU 204 Ca 0.07 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1cw1 h GLU 204 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1cw1 h GLU 204 CO 0.02 0.77 0.03 0.78 -0.73 0.00 0.00 179.01 179.88 1cw1 h GLY 205 N 0.96 0.43 0.82 1.92 0.00 -1.94 -1.99 103.07 103.27 1cw1 h GLY 205 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1cw1 h GLY 205 CO 0.03 0.27 -0.09 -0.84 0.00 0.00 0.00 176.54 175.90 1cw1 h THR 206 N 0.19 0.88 -0.39 4.70 2.02 -0.92 -3.02 112.91 116.37 1cw1 h THR 206 Ca 0.07 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.95 1cw1 h THR 206 Cb 0.34 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1cw1 h THR 206 CO 0.01 0.08 0.06 0.11 0.37 0.00 0.00 175.52 176.15 1cw1 h LYS 207 N -0.44 0.18 -0.39 6.66 1.79 -0.79 -0.32 116.57 123.25 1cw1 h LYS 207 Ca -0.03 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1cw1 h LYS 207 Cb 0.34 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1cw1 h LYS 207 CO 0.04 0.12 0.02 0.07 -1.08 0.00 0.00 179.45 178.62 1cw1 h ARG 208 N 0.18 0.61 0.04 3.15 0.11 -1.41 0.26 114.38 117.32 1cw1 h ARG 208 Ca 0.19 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 1cw1 h ARG 208 Cb 0.23 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1cw1 h ARG 208 CO -0.26 0.62 -0.02 1.25 0.10 0.00 0.00 179.97 181.66 1cw1 h LEU 209 N 0.59 -0.05 -1.33 0.08 7.12 -1.30 -2.49 115.31 117.93 1cw1 h LEU 209 Ca 0.13 -0.43 -0.05 0.00 0.13 0.00 0.00 57.88 57.66 1cw1 h LEU 209 Cb 0.34 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 1cw1 h LEU 209 CO 0.01 0.41 -0.10 0.58 -0.13 0.00 0.00 178.44 179.21 1cw1 h VAL 210 N -0.52 1.19 -0.46 1.05 2.07 -0.91 -2.00 116.25 116.67 1cw1 h VAL 210 Ca -0.01 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1cw1 h VAL 210 Cb 0.47 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1cw1 h VAL 210 CO 0.01 0.26 0.21 -0.09 0.02 0.00 0.00 177.57 177.98 1cw1 h ARG 211 N 0.31 0.67 -0.49 1.57 2.43 -0.44 -1.04 114.38 117.38 1cw1 h ARG 211 Ca 0.06 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1cw1 h ARG 211 Cb 0.38 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1cw1 h ARG 211 CO 0.02 0.58 0.08 0.00 -1.51 0.00 0.00 179.97 179.13 1cw1 h ALA 212 N 1.06 1.22 -0.27 2.80 0.00 -0.98 -1.03 119.26 122.05 1cw1 h ALA 212 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1cw1 h ALA 212 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1cw1 h ALA 212 CO -0.02 0.53 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1cw1 h ALA 213 N 1.35 0.37 -0.39 0.00 0.00 -0.83 -1.30 119.26 118.46 1cw1 h ALA 213 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1cw1 h ALA 213 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1cw1 h ALA 213 CO 0.01 0.09 -0.23 0.82 0.00 0.00 0.00 179.25 179.93 1cw1 h ILE 214 N 0.27 1.28 -0.63 0.00 2.04 -1.04 -1.59 117.51 117.84 1cw1 h ILE 214 Ca 0.08 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1cw1 h ILE 214 Cb 0.40 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1cw1 h ILE 214 CO 0.01 0.46 0.37 -0.33 0.00 0.00 0.00 178.15 178.66 1cw1 h GLU 215 N 0.66 0.85 -0.30 2.37 4.39 -1.14 -0.83 114.58 120.58 1cw1 h GLU 215 Ca 0.08 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1cw1 h GLU 215 Cb 0.80 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1cw1 h GLU 215 CO 0.07 0.61 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.57 1cw1 h TYR 216 N 0.86 0.60 -0.88 4.33 3.20 -0.99 0.36 116.97 124.45 1cw1 h TYR 216 Ca 0.22 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1cw1 h TYR 216 Cb -0.02 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 1cw1 h TYR 216 CO 0.00 0.71 0.58 0.00 -1.64 0.00 0.00 178.16 177.81 1cw1 h ALA 217 N 0.81 1.41 0.25 1.82 0.00 -0.55 0.25 119.26 123.26 1cw1 h ALA 217 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cw1 h ALA 217 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1cw1 h ALA 217 CO 0.02 0.52 -0.12 0.82 0.00 0.00 0.00 179.25 180.49 1cw1 h ILE 218 N 1.15 0.74 -0.24 0.00 2.04 -0.96 0.25 117.51 120.50 1cw1 h ILE 218 Ca 0.34 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1cw1 h ILE 218 Cb -0.05 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1cw1 h ILE 218 CO -0.09 0.15 0.18 0.00 0.00 0.00 0.00 178.15 178.39 1cw1 h ALA 219 N -0.24 2.16 -0.34 1.87 0.00 -0.74 -1.97 119.26 120.00 1cw1 h ALA 219 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cw1 h ALA 219 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1cw1 h ALA 219 CO 0.06 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.10 1cw1 n ASN 220 N -4.36 3.11 -3.97 0.00 3.02 0.06 -4.99 115.26 108.13 1cw1 n ASN 220 Ca 0.03 -2.15 -0.28 0.00 -0.03 0.00 0.00 54.58 52.14 1cw1 n ASN 220 Cb 0.33 -0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1cw1 n ASN 220 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1cw1 n ASP 221 N 0.39 -2.13 -4.87 6.41 4.64 -0.01 -4.96 116.55 116.03 1cw1 n ASP 221 Ca 0.13 -0.93 -0.31 0.00 -1.38 0.00 0.00 54.79 52.31 1cw1 n ASP 221 Cb 0.50 -3.33 -0.00 0.00 -1.04 0.00 0.00 41.12 37.25 1cw1 n ASP 221 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1cw1 s ARG 222 N -6.56 3.69 0.16 -0.67 1.81 0.68 -5.02 118.95 113.04 1cw1 s ARG 222 Ca 0.32 0.74 0.08 0.00 -1.72 0.00 0.00 55.73 55.14 1cw1 s ARG 222 Cb -0.17 -2.14 -0.07 0.00 -0.45 0.00 0.00 34.95 32.13 1cw1 s ARG 222 CO 0.87 -0.44 1.36 -0.44 -0.68 0.00 0.00 175.30 175.98 1cw1 h ASP 223 N 0.11 0.01 -4.95 0.23 3.45 -1.93 -3.45 116.42 109.90 1cw1 h ASP 223 Ca -0.45 -0.01 0.08 0.00 0.43 0.00 0.00 57.03 57.08 1cw1 h ASP 223 Cb 1.19 -0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 39.85 1cw1 h ASP 223 CO 0.62 0.91 0.37 -0.94 -1.57 0.00 0.00 179.24 178.63 1cw1 s SER 224 N -6.75 -0.37 -0.13 6.45 1.04 -1.26 -1.90 113.70 110.78 1cw1 s SER 224 Ca 0.00 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 1cw1 s SER 224 Cb 0.11 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.77 1cw1 s SER 224 CO 0.81 -0.89 -0.10 -0.69 0.98 0.00 0.00 173.24 173.34 1cw1 s VAL 225 N -3.46 1.25 -0.23 5.02 1.01 0.14 -1.66 120.40 122.48 1cw1 s VAL 225 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1cw1 s VAL 225 Cb -0.02 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1cw1 s VAL 225 CO -0.05 0.40 0.01 -0.89 0.00 0.00 0.00 175.10 174.57 1cw1 s THR 226 N 1.62 3.89 -0.39 3.92 2.01 0.27 -1.28 115.64 125.69 1cw1 s THR 226 Ca 0.05 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.47 1cw1 s THR 226 Cb -0.13 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.61 1cw1 s THR 226 CO -0.09 0.39 0.91 -0.76 -0.69 0.00 0.00 174.62 174.38 1cw1 s LEU 227 N 1.40 4.01 -0.18 4.42 1.43 0.45 -0.95 118.68 129.26 1cw1 s LEU 227 Ca 0.05 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 1cw1 s LEU 227 Cb -0.15 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1cw1 s LEU 227 CO 0.01 -0.88 0.10 -0.69 0.23 0.00 0.00 176.35 175.11 1cw1 s VAL 228 N 3.49 5.13 0.32 -1.59 1.01 -0.59 -1.71 120.40 126.46 1cw1 s VAL 228 Ca 0.37 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1cw1 s VAL 228 Cb -0.12 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1cw1 s VAL 228 CO 0.20 0.47 0.78 -1.38 0.00 0.00 0.00 175.10 175.17 1cw1 s HIS 229 N 0.21 -0.02 -0.38 5.22 -0.00 -1.02 -4.36 115.29 114.94 1cw1 s HIS 229 Ca 0.07 -0.55 0.08 0.00 -0.00 0.00 0.00 55.06 54.66 1cw1 s HIS 229 Cb -0.12 0.77 0.44 0.00 -0.00 0.00 0.00 32.58 33.68 1cw1 s HIS 229 CO -0.01 -1.38 1.11 -0.12 -0.00 0.00 0.00 174.74 174.35 1cw1 n MET 230 N -0.51 3.13 0.11 -0.38 1.56 -1.26 -0.01 117.12 119.76 1cw1 n MET 230 Ca -0.06 -4.22 0.10 0.00 -0.27 0.00 0.00 57.70 53.25 1cw1 n MET 230 Cb 0.60 -2.11 0.45 0.00 2.15 0.00 0.00 33.22 34.31 1cw1 n MET 230 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1cw1 n GLY 231 N -0.50 -1.05 0.21 -5.12 0.00 -1.26 -1.04 105.19 96.43 1cw1 n GLY 231 Ca 0.35 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.56 1cw1 n GLY 231 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1cw1 h ASN 232 N 0.00 0.00 0.00 1.61 -1.07 -1.96 -3.29 115.58 110.87 1cw1 h ASN 232 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.14 1cw1 h ASN 232 Cb 0.22 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.43 1cw1 h ASN 232 CO 0.00 0.20 -1.79 -0.38 0.07 0.00 0.00 177.43 175.53 1cw1 n ILE 233 N -3.23 0.78 -3.58 6.14 2.08 -0.86 -4.83 119.36 115.85 1cw1 n ILE 233 Ca 0.02 -0.22 -0.38 0.00 0.56 0.00 0.00 62.75 62.72 1cw1 n ILE 233 Cb 0.51 -1.54 -0.06 0.00 -0.75 0.00 0.00 39.64 37.80 1cw1 n ILE 233 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1cw1 s MET 234 N -2.26 3.29 0.20 0.38 -1.94 -0.20 -4.93 119.30 113.83 1cw1 s MET 234 Ca -0.19 -3.04 -0.09 0.00 -1.71 0.00 0.00 55.69 50.65 1cw1 s MET 234 Cb 0.07 -4.04 0.12 0.00 2.01 0.00 0.00 34.83 32.99 1cw1 s MET 234 CO 0.26 -1.25 1.74 0.87 -0.01 0.00 0.00 175.02 176.64 1cw1 h LYS 235 N 6.48 1.10 -0.00 2.03 1.57 -1.81 0.69 116.57 126.62 1cw1 h LYS 235 Ca 0.12 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1cw1 h LYS 235 Cb 0.87 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1cw1 h LYS 235 CO 0.84 0.93 -0.20 1.19 -0.57 0.00 0.00 179.45 181.63 1cw1 n PHE 236 N -4.31 0.00 0.00 -1.35 0.99 -1.26 -1.53 117.46 110.01 1cw1 n PHE 236 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1cw1 n PHE 236 Cb 0.21 -0.30 0.00 0.00 -1.00 0.00 0.00 39.48 38.39 1cw1 n PHE 236 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1cw1 n THR 237 N -1.29 0.00 -0.22 4.37 -2.24 -1.23 -4.47 114.28 109.20 1cw1 n THR 237 Ca 0.09 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1cw1 n THR 237 Cb 0.32 -0.88 0.04 0.00 -2.10 0.00 0.00 70.33 67.70 1cw1 n THR 237 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cw1 h GLU 238 N 0.00 0.87 -0.50 -0.78 4.39 -1.71 -0.66 114.58 116.19 1cw1 h GLU 238 Ca 0.00 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1cw1 h GLU 238 Cb 0.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1cw1 h GLU 238 CO 0.00 0.68 -0.08 0.78 -1.16 0.00 0.00 179.01 179.22 1cw1 h GLY 239 N 0.84 1.02 1.28 -3.84 0.00 -0.78 -2.76 103.07 98.82 1cw1 h GLY 239 Ca 0.21 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1cw1 h GLY 239 CO -0.03 0.75 0.18 0.00 0.00 0.00 0.00 176.54 177.44 1cw1 h ALA 240 N 0.91 1.19 -0.23 3.60 0.00 -0.92 -1.15 119.26 122.66 1cw1 h ALA 240 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1cw1 h ALA 240 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1cw1 h ALA 240 CO 0.04 0.57 0.05 0.35 0.00 0.00 0.00 179.25 180.26 1cw1 h PHE 241 N 0.88 0.09 -0.36 0.00 3.04 -0.96 0.20 116.94 119.83 1cw1 h PHE 241 Ca 0.20 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1cw1 h PHE 241 Cb 0.26 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1cw1 h PHE 241 CO 0.02 0.03 0.17 -0.22 -2.02 0.00 0.00 178.31 176.29 1cw1 h LYS 242 N 0.14 0.52 -0.04 1.11 3.64 -1.20 -0.20 116.57 120.54 1cw1 h LYS 242 Ca 0.11 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1cw1 h LYS 242 Cb 0.10 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1cw1 h LYS 242 CO -0.13 0.48 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.03 1cw1 h ASP 243 N 0.44 -0.14 0.00 4.20 3.45 -0.68 -1.44 116.42 122.24 1cw1 h ASP 243 Ca 0.12 0.03 -0.06 0.00 0.43 0.00 0.00 57.03 57.55 1cw1 h ASP 243 Cb 0.13 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1cw1 h ASP 243 CO -0.01 -0.07 -0.14 -0.50 -1.57 0.00 0.00 179.24 176.94 1cw1 h TRP 244 N -0.06 0.31 -0.18 4.55 6.55 -0.53 -0.47 115.95 126.13 1cw1 h TRP 244 Ca 0.04 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1cw1 h TRP 244 Cb 0.11 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 1cw1 h TRP 244 CO -0.14 0.44 0.05 0.78 -1.05 0.00 0.00 178.44 178.51 1cw1 h GLY 245 N 0.82 0.30 0.93 1.49 0.00 -0.56 0.72 103.07 106.78 1cw1 h GLY 245 Ca 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1cw1 h GLY 245 CO 0.03 0.17 0.11 -0.97 0.00 0.00 0.00 176.54 175.88 1cw1 h TYR 246 N 0.10 0.64 -0.66 5.60 0.05 -1.00 -2.09 116.97 119.61 1cw1 h TYR 246 Ca 0.06 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1cw1 h TYR 246 Cb 0.25 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 1cw1 h TYR 246 CO 0.01 0.61 0.37 0.37 -1.05 0.00 0.00 178.16 178.47 1cw1 h GLN 247 N 0.49 0.68 -0.69 4.88 4.15 -0.93 -1.21 115.11 122.48 1cw1 h GLN 247 Ca 0.13 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1cw1 h GLN 247 Cb 0.28 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 1cw1 h GLN 247 CO -0.00 0.45 0.43 1.25 -1.93 0.00 0.00 178.83 179.02 1cw1 h LEU 248 N 0.70 0.82 -1.00 -2.39 5.85 -0.65 0.12 115.31 118.75 1cw1 h LEU 248 Ca 0.29 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1cw1 h LEU 248 Cb 0.17 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1cw1 h LEU 248 CO -0.17 0.63 0.65 0.00 -0.34 0.00 0.00 178.44 179.21 1cw1 h ALA 249 N 1.23 1.34 -0.01 1.25 0.00 -0.59 0.01 119.26 122.48 1cw1 h ALA 249 Ca 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1cw1 h ALA 249 Cb -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.39 1cw1 h ALA 249 CO -0.05 0.54 -0.28 0.00 0.00 0.00 0.00 179.25 179.46 1cw1 h ARG 250 N 1.26 0.21 -0.01 0.00 3.08 -0.59 -0.89 114.38 117.43 1cw1 h ARG 250 Ca 0.40 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 1cw1 h ARG 250 Cb 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1cw1 h ARG 250 CO -0.13 0.92 -0.60 0.93 -1.07 0.00 0.00 179.97 180.02 1cw1 h GLU 251 N -0.43 0.05 0.00 0.04 5.08 -0.67 -3.16 114.58 115.50 1cw1 h GLU 251 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1cw1 h GLU 251 Cb 1.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1cw1 h GLU 251 CO 0.06 0.64 -1.04 0.39 -1.00 0.00 0.00 179.01 178.06 1cw1 n GLU 252 N -3.83 1.27 -0.13 2.33 1.02 -0.02 -4.72 120.64 116.55 1cw1 n GLU 252 Ca -0.01 -0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.15 1cw1 n GLU 252 Cb 0.61 -1.05 0.09 0.00 -0.02 0.00 0.00 31.44 31.06 1cw1 n GLU 252 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1cw1 n PHE 253 N -1.57 0.00 -3.34 -0.32 3.72 -0.90 -5.00 117.46 110.04 1cw1 n PHE 253 Ca -0.01 -0.71 -0.24 0.00 -0.05 0.00 0.00 57.45 56.44 1cw1 n PHE 253 Cb 0.13 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1cw1 n PHE 253 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cw1 n GLY 254 N -0.99 -0.52 3.74 1.37 0.00 -1.13 -4.51 105.19 103.15 1cw1 n GLY 254 Ca 0.10 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1cw1 n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw1 n GLY 255 N -1.55 1.45 3.59 -0.02 0.00 -0.39 -4.76 105.19 103.51 1cw1 n GLY 255 Ca -0.05 0.53 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1cw1 n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cw1 s GLU 256 N 0.22 2.15 0.10 1.61 2.02 -0.11 -4.66 118.70 120.04 1cw1 s GLU 256 Ca 0.69 -1.07 -0.31 0.00 0.02 0.00 0.00 54.97 54.30 1cw1 s GLU 256 Cb -0.50 -2.29 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 1cw1 s GLU 256 CO 0.41 0.49 1.27 -1.17 0.02 0.00 0.00 175.26 176.28 1cw1 s LEU 257 N -2.40 4.38 -0.22 1.80 2.96 -1.26 -0.30 118.68 123.64 1cw1 s LEU 257 Ca 0.23 2.15 -0.15 0.00 -0.22 0.00 0.00 54.13 56.14 1cw1 s LEU 257 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1cw1 s LEU 257 CO 0.15 -0.52 0.36 -0.63 -1.32 0.00 0.00 176.35 174.38 1cw1 s ILE 258 N 0.93 5.22 0.00 6.68 1.01 0.25 -4.88 121.20 130.40 1cw1 s ILE 258 Ca 0.60 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1cw1 s ILE 258 Cb -0.32 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1cw1 s ILE 258 CO 0.31 0.25 0.00 -0.67 0.00 0.00 0.00 174.94 174.83 1cw1 n ASP 259 N 4.59 0.00 -1.19 3.58 -0.08 -1.26 -1.04 116.55 121.15 1cw1 n ASP 259 Ca -0.09 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.27 1cw1 n ASP 259 Cb 0.51 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.26 1cw1 n ASP 259 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cw1 n GLY 260 N 0.00 3.41 0.00 0.27 0.00 -1.26 -5.07 105.19 102.54 1cw1 n GLY 260 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1cw1 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw1 n GLY 261 N 0.16 -0.42 0.45 -0.02 0.00 -0.21 -4.96 105.19 100.20 1cw1 n GLY 261 Ca 0.22 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.61 1cw1 n GLY 261 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cw1 n PRO 262 N -0.44 1.62 -2.10 1.61 -0.04 -1.26 -5.00 135.00 129.39 1cw1 n PRO 262 Ca 0.00 -0.91 -0.37 0.00 -0.04 0.00 0.00 63.50 62.18 1cw1 n PRO 262 Cb 0.00 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 1cw1 n PRO 262 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1cw1 s TRP 263 N -1.98 2.62 0.24 0.54 0.52 -1.26 -4.90 118.94 114.72 1cw1 s TRP 263 Ca 0.38 1.50 0.10 0.00 0.02 0.00 0.00 56.10 58.10 1cw1 s TRP 263 Cb 0.21 -3.48 -0.05 0.00 -1.15 0.00 0.00 33.47 29.00 1cw1 s TRP 263 CO 0.33 -1.97 -0.17 -0.51 0.02 0.00 0.00 176.95 174.65 1cw1 s LEU 264 N -3.45 2.57 -0.06 2.99 1.02 -0.20 -0.58 118.68 120.97 1cw1 s LEU 264 Ca 0.69 -1.03 0.03 0.00 0.02 0.00 0.00 54.13 53.85 1cw1 s LEU 264 Cb -0.31 -0.89 0.01 0.00 0.02 0.00 0.00 46.19 45.01 1cw1 s LEU 264 CO 0.36 -0.06 -0.15 -1.59 0.02 0.00 0.00 176.35 174.92 1cw1 s LYS 265 N -3.58 1.93 -0.19 1.70 -2.85 0.58 0.17 119.74 117.51 1cw1 s LYS 265 Ca 0.26 -0.54 -0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1cw1 s LYS 265 Cb -0.03 -1.58 0.01 0.00 -2.06 0.00 0.00 37.83 34.17 1cw1 s LYS 265 CO 0.11 0.12 -0.16 0.08 0.10 0.00 0.00 175.35 175.60 1cw1 s VAL 266 N 0.42 2.46 0.01 1.79 1.01 0.98 -0.93 120.40 126.14 1cw1 s VAL 266 Ca -0.12 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1cw1 s VAL 266 Cb -0.15 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1cw1 s VAL 266 CO 0.04 0.51 1.24 -1.59 0.00 0.00 0.00 175.10 175.30 1cw1 s LYS 267 N 1.27 4.38 -0.27 2.72 0.00 -1.26 0.16 119.74 126.73 1cw1 s LYS 267 Ca 0.04 1.77 -0.29 0.00 0.00 0.00 0.00 55.97 57.49 1cw1 s LYS 267 Cb -0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 37.83 34.22 1cw1 s LYS 267 CO -0.09 -0.38 1.50 1.21 0.00 0.00 0.00 175.35 177.59 1cw1 s ASN 268 N 1.35 6.44 0.10 0.03 3.84 0.95 -4.86 114.94 122.79 1cw1 s ASN 268 Ca 0.59 1.38 0.07 0.00 0.21 0.00 0.00 52.86 55.11 1cw1 s ASN 268 Cb -0.28 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.28 1cw1 s ASN 268 CO 0.26 -1.25 1.22 -0.81 -2.79 0.00 0.00 177.10 173.74 1cw1 n PRO 269 N 7.64 0.05 -0.09 0.43 -0.04 -1.26 -0.01 135.00 141.72 1cw1 n PRO 269 Ca 0.17 0.54 -0.12 0.00 -0.04 0.00 0.00 63.50 64.06 1cw1 n PRO 269 Cb 0.46 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1cw1 n PRO 269 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1cw1 n ASN 270 N -1.75 2.45 -0.00 3.54 3.02 -1.26 -4.75 115.26 116.51 1cw1 n ASN 270 Ca -0.00 -0.08 0.05 0.00 -0.03 0.00 0.00 54.58 54.52 1cw1 n ASN 270 Cb 0.02 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.01 1cw1 n ASN 270 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1cw1 n THR 271 N -2.94 0.00 -0.75 3.41 -2.24 -1.12 -4.99 114.28 105.65 1cw1 n THR 271 Ca -0.30 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1cw1 n THR 271 Cb 0.85 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1cw1 n THR 271 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cw1 n GLY 272 N 1.41 1.42 3.77 3.38 0.00 0.98 -4.98 105.19 111.16 1cw1 n GLY 272 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1cw1 n GLY 272 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cw1 s LYS 273 N -0.03 4.37 -0.54 1.61 2.20 -1.26 -4.55 119.74 121.54 1cw1 s LYS 273 Ca 0.00 2.19 -0.22 0.00 -0.36 0.00 0.00 55.97 57.57 1cw1 s LYS 273 Cb 0.00 -3.08 0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1cw1 s LYS 273 CO 0.00 -0.17 0.84 -1.21 -0.36 0.00 0.00 175.35 174.45 1cw1 s GLU 274 N -1.67 3.26 -0.22 4.03 0.41 -1.26 -0.03 118.70 123.21 1cw1 s GLU 274 Ca 0.49 -0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 54.28 1cw1 s GLU 274 Cb -0.39 -4.07 0.01 0.00 -1.78 0.00 0.00 34.13 27.89 1cw1 s GLU 274 CO 0.51 -1.41 1.02 0.42 -0.49 0.00 0.00 175.26 175.31 1cw1 s ILE 275 N 3.54 4.70 0.08 -1.63 1.01 0.12 -4.83 121.20 124.19 1cw1 s ILE 275 Ca 0.25 2.00 -0.29 0.00 0.00 0.00 0.00 60.65 62.62 1cw1 s ILE 275 Cb -0.15 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1cw1 s ILE 275 CO 0.17 -0.15 0.92 -0.69 0.00 0.00 0.00 174.94 175.19 1cw1 s VAL 276 N 3.04 4.60 -0.24 2.92 1.01 -0.80 -0.01 120.40 130.92 1cw1 s VAL 276 Ca 0.44 1.97 -0.04 0.00 0.00 0.00 0.00 61.98 64.36 1cw1 s VAL 276 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1cw1 s VAL 276 CO 0.07 0.30 -0.03 -0.63 0.00 0.00 0.00 175.10 174.82 1cw1 s ILE 277 N 0.13 3.34 0.26 2.22 -1.09 0.13 -0.69 121.20 125.51 1cw1 s ILE 277 Ca 0.46 -0.63 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1cw1 s ILE 277 Cb -0.22 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 1cw1 s ILE 277 CO 0.28 0.34 0.21 2.29 -1.23 0.00 0.00 174.94 176.83 1cw1 n LYS 278 N 4.78 0.35 -3.83 2.79 2.85 -0.40 -1.03 118.16 123.67 1cw1 n LYS 278 Ca -0.17 -2.62 -0.12 0.00 -1.05 0.00 0.00 58.31 54.35 1cw1 n LYS 278 Cb 0.50 2.08 -0.09 0.00 -0.65 0.00 0.00 35.03 36.87 1cw1 n LYS 278 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1cw1 s ASP 279 N -2.84 -0.05 -0.05 -5.58 -4.77 -1.26 -0.41 116.67 101.71 1cw1 s ASP 279 Ca 0.30 -0.14 -0.06 0.00 -3.30 0.00 0.00 52.55 49.36 1cw1 s ASP 279 Cb 0.01 0.25 0.01 0.00 -1.09 0.00 0.00 42.92 42.11 1cw1 s ASP 279 CO 0.21 -0.43 0.15 0.68 0.70 0.00 0.00 175.17 176.48 1cw1 s VAL 280 N -1.56 0.01 0.23 2.11 -7.23 -0.69 -4.91 120.40 108.36 1cw1 s VAL 280 Ca -0.13 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 1cw1 s VAL 280 Cb -0.06 -0.25 -0.10 0.00 0.56 0.00 0.00 36.38 36.53 1cw1 s VAL 280 CO 0.02 -0.06 1.44 -0.63 -0.31 0.00 0.00 175.10 175.55 1cw1 s ILE 281 N -0.14 2.74 0.22 -0.62 -1.09 -1.26 -2.44 121.20 118.61 1cw1 s ILE 281 Ca -0.02 0.61 -0.10 0.00 -2.23 0.00 0.00 60.65 58.90 1cw1 s ILE 281 Cb -0.02 -3.39 0.21 0.00 -1.58 0.00 0.00 42.46 37.69 1cw1 s ILE 281 CO 0.00 0.09 1.66 0.00 -1.23 0.00 0.00 174.94 175.46 1cw1 h ALA 282 N 5.32 0.62 -0.72 9.38 0.00 -0.77 0.14 119.26 133.24 1cw1 h ALA 282 Ca -0.45 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1cw1 h ALA 282 Cb 1.22 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1cw1 h ALA 282 CO 0.79 -0.40 0.20 0.38 0.00 0.00 0.00 179.25 180.22 1cw1 h ASP 283 N 0.11 1.08 0.13 0.00 3.04 -1.91 -1.84 116.42 117.02 1cw1 h ASP 283 Ca 0.34 -0.22 -0.12 0.00 -3.24 0.00 0.00 57.03 53.79 1cw1 h ASP 283 Cb 0.55 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.55 1cw1 h ASP 283 CO -0.56 1.02 -0.41 0.00 -2.04 0.00 0.00 179.24 177.25 1cw1 h ALA 284 N 1.11 1.01 -0.65 4.15 0.00 -1.74 -2.78 119.26 120.36 1cw1 h ALA 284 Ca 0.23 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1cw1 h ALA 284 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1cw1 h ALA 284 CO -0.00 0.61 0.24 0.35 0.00 0.00 0.00 179.25 180.45 1cw1 h PHE 285 N 0.30 0.98 0.00 0.00 3.57 -0.10 0.15 116.94 121.84 1cw1 h PHE 285 Ca 0.03 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1cw1 h PHE 285 Cb 0.85 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1cw1 h PHE 285 CO 0.02 0.76 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.77 1cw1 h LEU 286 N 0.94 0.00 0.08 0.59 4.07 -1.07 -0.28 115.31 119.65 1cw1 h LEU 286 Ca 0.22 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.90 1cw1 h LEU 286 Cb 0.21 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1cw1 h LEU 286 CO -0.02 0.02 -1.49 1.56 -1.08 0.00 0.00 178.44 177.44 1cw1 h GLN 287 N 0.00 0.17 -0.29 1.13 4.20 -1.16 -3.38 115.11 115.79 1cw1 h GLN 287 Ca -0.00 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.43 1cw1 h GLN 287 Cb 0.07 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1cw1 h GLN 287 CO 0.00 1.14 0.19 1.96 -0.67 0.00 0.00 178.83 181.46 1cw1 h GLN 288 N -0.42 0.32 0.00 1.46 1.08 -0.03 -0.92 115.11 116.60 1cw1 h GLN 288 Ca -0.34 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 1cw1 h GLN 288 Cb 1.68 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1cw1 h GLN 288 CO -0.01 0.21 -0.11 -0.84 -0.95 0.00 0.00 178.83 177.12 1cw1 h ILE 289 N 0.33 0.49 0.10 2.54 3.07 -1.25 0.33 117.51 123.12 1cw1 h ILE 289 Ca 0.11 -0.56 -0.32 0.00 1.55 0.00 0.00 64.86 65.65 1cw1 h ILE 289 Cb 0.05 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 37.96 1cw1 h ILE 289 CO -0.02 0.11 -1.71 -0.07 -1.05 0.00 0.00 178.15 175.41 1cw1 h LEU 290 N 0.00 0.32 0.15 0.16 -0.00 -1.40 -3.30 115.31 111.23 1cw1 h LEU 290 Ca -0.00 -0.82 -0.28 0.00 -0.00 0.00 0.00 57.88 56.77 1cw1 h LEU 290 Cb 0.37 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1cw1 h LEU 290 CO 0.01 1.73 -1.29 -0.07 -0.00 0.00 0.00 178.44 178.83 1cw1 h LEU 291 N -0.26 0.48 -5.43 1.67 4.07 -1.12 -3.41 115.31 111.31 1cw1 h LEU 291 Ca -0.38 -0.52 -0.40 0.00 0.08 0.00 0.00 57.88 56.66 1cw1 h LEU 291 Cb 1.81 -0.16 -0.37 0.00 1.08 0.00 0.00 40.66 43.02 1cw1 h LEU 291 CO 0.01 1.41 -1.10 0.54 -1.08 0.00 0.00 178.44 178.22 1cw1 n ARG 292 N -3.55 1.06 0.11 1.13 1.74 0.11 -4.97 116.66 112.29 1cw1 n ARG 292 Ca -0.10 -3.13 0.09 0.00 -0.77 0.00 0.00 57.85 53.95 1cw1 n ARG 292 Cb 1.04 -1.35 0.57 0.00 -1.02 0.00 0.00 32.46 31.70 1cw1 n ARG 292 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1cw1 h PRO 293 N 2.94 0.20 0.00 5.56 0.13 -1.60 -2.40 132.00 136.82 1cw1 h PRO 293 Ca -0.02 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1cw1 h PRO 293 Cb 1.09 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1cw1 h PRO 293 CO 0.44 0.13 -0.01 0.00 -0.23 0.00 0.00 178.00 178.33 1cw1 h ALA 294 N 1.85 1.03 -0.00 -0.56 0.00 -1.90 -1.97 119.26 117.71 1cw1 h ALA 294 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cw1 h ALA 294 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1cw1 h ALA 294 CO -0.02 0.01 -0.02 0.39 0.00 0.00 0.00 179.25 179.61 1cw1 n GLU 295 N -3.13 0.54 -4.32 0.00 1.02 -0.90 -4.85 120.64 108.99 1cw1 n GLU 295 Ca -0.02 -0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 1cw1 n GLU 295 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 1cw1 n GLU 295 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1cw1 s TYR 296 N -2.48 2.50 0.00 -0.32 2.02 -0.74 -5.01 117.35 113.31 1cw1 s TYR 296 Ca 0.31 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1cw1 s TYR 296 Cb 0.20 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 1cw1 s TYR 296 CO 0.45 0.42 0.00 -3.47 -1.57 0.00 0.00 175.55 171.38 1cw1 n ASP 297 N 0.59 0.00 -4.74 2.29 -0.08 -1.26 -4.71 116.55 108.64 1cw1 n ASP 297 Ca -0.14 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.73 1cw1 n ASP 297 Cb 0.54 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.95 1cw1 n ASP 297 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1cw1 s VAL 298 N 0.76 4.68 -0.04 5.18 1.01 -0.66 -1.07 120.40 130.25 1cw1 s VAL 298 Ca 0.00 1.71 0.06 0.00 0.00 0.00 0.00 61.98 63.75 1cw1 s VAL 298 Cb 0.00 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1cw1 s VAL 298 CO 0.00 0.36 -0.22 -0.63 0.00 0.00 0.00 175.10 174.61 1cw1 s ILE 299 N -0.07 1.78 -0.12 2.22 -1.09 0.24 -0.56 121.20 123.60 1cw1 s ILE 299 Ca 0.40 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1cw1 s ILE 299 Cb -0.21 -1.50 0.02 0.00 -1.58 0.00 0.00 42.46 39.18 1cw1 s ILE 299 CO 0.24 0.50 -0.13 0.00 -1.23 0.00 0.00 174.94 174.32 1cw1 s ALA 300 N -0.22 1.64 0.29 9.38 0.00 -0.12 0.21 121.76 132.94 1cw1 s ALA 300 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1cw1 s ALA 300 Cb -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1cw1 s ALA 300 CO 0.02 -0.20 0.53 0.00 0.00 0.00 0.00 175.76 176.11 1cw1 s MET 302 N -3.54 1.71 0.09 0.00 -1.94 -1.26 -1.33 119.30 113.02 1cw1 s MET 302 Ca 0.23 0.29 -0.23 0.00 -1.71 0.00 0.00 55.69 54.27 1cw1 s MET 302 Cb -0.01 -1.90 -0.08 0.00 2.01 0.00 0.00 34.83 34.84 1cw1 s MET 302 CO 0.12 -1.81 1.38 -0.97 -0.01 0.00 0.00 175.02 173.74 1cw1 h ASN 303 N -1.22 -1.29 0.07 3.03 -0.73 -1.77 0.56 115.58 114.24 1cw1 h ASN 303 Ca -0.48 0.17 -0.00 0.00 1.87 0.00 0.00 56.30 57.85 1cw1 h ASN 303 Cb 1.32 0.52 0.00 0.00 0.27 0.00 0.00 38.32 40.43 1cw1 h ASN 303 CO 0.63 -0.29 -0.04 0.25 -0.37 0.00 0.00 177.43 177.61 1cw1 h LEU 304 N -0.31 -0.08 -0.98 0.34 5.85 -1.90 -1.58 115.31 116.66 1cw1 h LEU 304 Ca 0.04 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1cw1 h LEU 304 Cb 0.43 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1cw1 h LEU 304 CO -0.39 -0.03 0.63 0.78 -0.34 0.00 0.00 178.44 179.09 1cw1 h ASN 305 N -0.13 1.04 -0.64 1.25 2.35 -1.93 -1.31 115.58 116.21 1cw1 h ASN 305 Ca -0.01 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1cw1 h ASN 305 Cb 0.11 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1cw1 h ASN 305 CO 0.02 0.70 0.27 1.23 -1.65 0.00 0.00 177.43 178.00 1cw1 h GLY 306 N 1.20 1.04 0.98 2.83 0.00 -0.63 0.13 103.07 108.63 1cw1 h GLY 306 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1cw1 h GLY 306 CO -0.14 0.51 0.06 -1.80 0.00 0.00 0.00 176.54 175.17 1cw1 h ASP 307 N 0.95 0.12 -0.06 0.19 3.58 -0.25 -0.52 116.42 120.43 1cw1 h ASP 307 Ca 0.23 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1cw1 h ASP 307 Cb 0.17 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1cw1 h ASP 307 CO -0.02 0.11 0.02 1.88 -2.88 0.00 0.00 179.24 178.35 1cw1 h TYR 308 N 0.11 0.10 -0.23 0.28 0.05 -0.81 -2.59 116.97 113.87 1cw1 h TYR 308 Ca 0.04 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1cw1 h TYR 308 Cb 0.01 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1cw1 h TYR 308 CO -0.06 0.24 0.12 0.82 -1.05 0.00 0.00 178.16 178.22 1cw1 h ILE 309 N -0.07 1.00 -0.70 -2.88 2.04 -0.70 -0.90 117.51 115.30 1cw1 h ILE 309 Ca 0.02 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1cw1 h ILE 309 Cb 0.18 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1cw1 h ILE 309 CO -0.00 0.05 0.46 0.28 0.00 0.00 0.00 178.15 178.93 1cw1 h SER 310 N 0.25 0.79 -0.21 1.72 0.02 -1.08 -0.82 113.55 114.21 1cw1 h SER 310 Ca 0.09 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1cw1 h SER 310 Cb 0.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1cw1 h SER 310 CO -0.06 0.57 -0.01 0.44 -1.14 0.00 0.00 176.83 176.62 1cw1 h ASP 311 N 0.93 0.37 -0.57 3.07 3.32 -1.20 -1.17 116.42 121.18 1cw1 h ASP 311 Ca 0.26 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1cw1 h ASP 311 Cb -0.09 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1cw1 h ASP 311 CO -0.06 0.61 0.34 0.00 -1.72 0.00 0.00 179.24 178.41 1cw1 h ALA 312 N 0.78 0.72 -0.45 3.45 0.00 -1.03 -1.27 119.26 121.47 1cw1 h ALA 312 Ca 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1cw1 h ALA 312 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cw1 h ALA 312 CO 0.01 0.20 0.18 -0.07 0.00 0.00 0.00 179.25 179.57 1cw1 h LEU 313 N 0.76 0.62 -0.66 0.00 4.07 -1.12 -2.07 115.31 116.91 1cw1 h LEU 313 Ca 0.20 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1cw1 h LEU 313 Cb -0.02 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 1cw1 h LEU 313 CO -0.04 0.62 0.41 0.00 -1.08 0.00 0.00 178.44 178.35 1cw1 h ALA 314 N 1.02 0.87 -0.28 1.53 0.00 -0.88 -2.75 119.26 118.76 1cw1 h ALA 314 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1cw1 h ALA 314 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1cw1 h ALA 314 CO -0.01 0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.56 1cw1 h ALA 315 N 1.29 0.36 -0.90 0.00 0.00 -0.92 0.17 119.26 119.26 1cw1 h ALA 315 Ca 0.27 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1cw1 h ALA 315 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1cw1 h ALA 315 CO -0.11 -0.11 0.58 1.96 0.00 0.00 0.00 179.25 181.57 1cw1 h GLN 316 N 0.34 0.90 -0.50 0.00 4.20 -1.09 -1.60 115.11 117.36 1cw1 h GLN 316 Ca 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1cw1 h GLN 316 Cb 0.06 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1cw1 h GLN 316 CO -0.02 0.59 0.00 1.33 -0.67 0.00 0.00 178.83 180.07 1cw1 n VAL 317 N -4.53 0.80 -1.28 -0.54 0.24 -1.12 -4.17 118.33 107.72 1cw1 n VAL 317 Ca 0.15 -0.62 -0.10 0.00 -2.04 0.00 0.00 64.34 61.73 1cw1 n VAL 317 Cb 0.29 0.14 -0.04 0.00 -1.47 0.00 0.00 33.84 32.75 1cw1 n VAL 317 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cw1 n GLY 318 N 0.99 1.11 1.56 7.63 0.00 -0.60 -4.72 105.19 111.17 1cw1 n GLY 318 Ca 0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1cw1 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cw1 n GLY 319 N -1.70 4.12 0.38 -0.02 0.00 0.58 -4.64 105.19 103.91 1cw1 n GLY 319 Ca -0.10 -1.07 0.15 0.00 0.00 0.00 0.00 46.02 45.00 1cw1 n GLY 319 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cw1 h ILE 320 N 1.92 0.75 -0.23 -0.61 2.10 -1.79 -1.71 117.51 117.94 1cw1 h ILE 320 Ca 0.23 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.96 1cw1 h ILE 320 Cb 2.02 0.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 1cw1 h ILE 320 CO 0.57 0.11 0.00 0.61 -1.08 0.00 0.00 178.15 178.36 1cw1 n GLY 321 N -1.45 1.27 0.94 8.18 0.00 -1.26 -4.45 105.19 108.42 1cw1 n GLY 321 Ca 0.19 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1cw1 n GLY 321 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cw1 n ILE 322 N 1.21 0.84 -2.92 -0.61 -5.35 -0.69 -3.11 119.36 108.72 1cw1 n ILE 322 Ca 0.15 -1.64 -0.42 0.00 -0.27 0.00 0.00 62.75 60.57 1cw1 n ILE 322 Cb 0.53 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.81 1cw1 n ILE 322 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cw1 s ALA 323 N -1.25 3.58 0.65 -1.28 0.00 -0.89 -4.31 121.76 118.26 1cw1 s ALA 323 Ca 0.30 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1cw1 s ALA 323 Cb 0.31 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1cw1 s ALA 323 CO -0.09 -1.09 1.05 -1.25 0.00 0.00 0.00 175.76 174.37 1cw1 s PRO 324 N 2.92 3.24 -0.07 0.00 0.04 -1.26 -3.98 135.00 135.89 1cw1 s PRO 324 Ca 0.33 0.90 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 1cw1 s PRO 324 Cb -0.15 -2.03 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1cw1 s PRO 324 CO 0.11 -0.86 0.66 0.20 0.04 0.00 0.00 177.00 177.15 1cw1 s GLY 325 N -3.82 -0.55 0.02 0.56 0.00 -1.24 -4.31 107.32 97.97 1cw1 s GLY 325 Ca 0.57 1.32 -0.01 0.00 0.00 0.00 0.00 44.72 46.61 1cw1 s GLY 325 CO 0.52 0.98 -0.01 0.00 0.00 0.00 0.00 173.10 174.59 1cw1 s ALA 326 N -1.06 0.06 -0.25 3.20 0.00 -0.52 -1.82 121.76 121.37 1cw1 s ALA 326 Ca -0.10 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1cw1 s ALA 326 Cb -0.01 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.29 1cw1 s ALA 326 CO 0.09 -0.15 -0.11 -0.80 0.00 0.00 0.00 175.76 174.80 1cw1 s ASN 327 N -1.28 4.22 -0.05 0.00 0.01 -0.21 -0.11 114.94 117.52 1cw1 s ASN 327 Ca -0.14 -1.29 0.05 0.00 -0.71 0.00 0.00 52.86 50.77 1cw1 s ASN 327 Cb -0.09 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.08 1cw1 s ASN 327 CO -0.01 -0.18 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.58 1cw1 s ILE 328 N 1.17 2.58 0.19 0.60 1.01 0.58 -0.52 121.20 126.81 1cw1 s ILE 328 Ca -0.07 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1cw1 s ILE 328 Cb -0.19 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1cw1 s ILE 328 CO -0.06 0.58 0.06 0.61 0.00 0.00 0.00 174.94 176.13 1cw1 n GLY 329 N 2.64 3.72 0.16 6.18 0.00 -0.38 -1.50 105.19 116.01 1cw1 n GLY 329 Ca -0.17 -2.02 0.04 0.00 0.00 0.00 0.00 46.02 43.87 1cw1 n GLY 329 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cw1 h ASP 330 N 0.74 0.00 0.00 1.61 3.32 -1.91 -3.36 116.42 116.82 1cw1 h ASP 330 Ca -0.15 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.71 1cw1 h ASP 330 Cb 0.55 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1cw1 h ASP 330 CO 0.23 0.45 -1.94 -0.62 -1.72 0.00 0.00 179.24 175.64 1cw1 n GLU 331 N -3.30 1.24 -3.93 3.56 -0.58 -1.26 -4.98 120.64 111.40 1cw1 n GLU 331 Ca 0.01 -0.05 -0.11 0.00 -0.42 0.00 0.00 57.16 56.59 1cw1 n GLU 331 Cb 0.66 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1cw1 n GLU 331 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cw1 s ALA 333 N -2.61 -1.01 -0.19 0.00 0.00 -0.05 -1.25 121.76 116.64 1cw1 s ALA 333 Ca 0.22 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1cw1 s ALA 333 Cb -0.03 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1cw1 s ALA 333 CO 0.16 -0.20 -0.08 -1.17 0.00 0.00 0.00 175.76 174.46 1cw1 s LEU 334 N 0.05 2.06 0.23 0.00 2.96 0.33 -1.78 118.68 122.53 1cw1 s LEU 334 Ca -0.01 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 1cw1 s LEU 334 Cb -0.03 -1.11 -0.07 0.00 0.50 0.00 0.00 46.19 45.48 1cw1 s LEU 334 CO 0.01 -0.17 0.55 -0.36 -1.32 0.00 0.00 176.35 175.06 1cw1 s PHE 335 N 1.49 3.42 0.03 5.38 0.40 0.37 -1.04 117.98 128.03 1cw1 s PHE 335 Ca -0.01 0.88 -0.20 0.00 -0.60 0.00 0.00 56.93 56.99 1cw1 s PHE 335 Cb -0.16 -2.26 0.04 0.00 0.51 0.00 0.00 43.02 41.15 1cw1 s PHE 335 CO -0.08 0.27 0.46 -1.83 0.70 0.00 0.00 175.22 174.74 1cw1 s GLU 336 N -2.81 0.95 0.33 0.44 -1.05 -0.75 -0.70 118.70 115.10 1cw1 s GLU 336 Ca 0.47 -0.24 -0.28 0.00 -0.15 0.00 0.00 54.97 54.77 1cw1 s GLU 336 Cb -0.11 0.43 -0.10 0.00 -0.44 0.00 0.00 34.13 33.91 1cw1 s GLU 336 CO 0.21 -0.32 1.23 0.00 0.95 0.00 0.00 175.26 177.32 1cw1 s ALA 337 N -2.24 3.42 -1.03 -0.84 0.00 -0.64 -3.66 121.76 116.78 1cw1 s ALA 337 Ca -0.07 1.12 0.21 0.00 0.00 0.00 0.00 51.96 53.22 1cw1 s ALA 337 Cb -0.01 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 19.49 1cw1 s ALA 337 CO -0.00 -0.49 0.93 0.25 0.00 0.00 0.00 175.76 176.44 1cw1 n THR 338 N 0.81 0.00 -2.09 0.00 -2.24 -1.26 -4.59 114.28 104.91 1cw1 n THR 338 Ca 0.00 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 1cw1 n THR 338 Cb 0.43 0.98 0.12 0.00 -2.10 0.00 0.00 70.33 69.76 1cw1 n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cw1 n HIS 339 N -1.45 -3.52 -1.38 4.78 1.44 -1.26 -5.08 115.22 108.74 1cw1 n HIS 339 Ca 0.04 -1.07 -0.08 0.00 -2.01 0.00 0.00 57.72 54.60 1cw1 n HIS 339 Cb 0.33 -0.63 0.06 0.00 0.12 0.00 0.00 29.99 29.87 1cw1 n HIS 339 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1cw1 n GLY 340 N -0.92 -1.04 0.04 -1.39 0.00 -1.26 -4.72 105.19 95.90 1cw1 n GLY 340 Ca 0.12 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.55 1cw1 n GLY 340 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cw1 n THR 341 N -2.47 0.22 -3.92 2.61 -2.24 -1.26 -4.78 114.28 102.45 1cw1 n THR 341 Ca 0.05 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 1cw1 n THR 341 Cb 0.17 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 1cw1 n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cw1 n ALA 342 N -1.72 -1.92 -0.06 6.98 0.00 -1.26 -0.84 120.51 121.69 1cw1 n ALA 342 Ca 0.04 -0.35 0.25 0.00 0.00 0.00 0.00 53.44 53.38 1cw1 n ALA 342 Cb 0.41 -1.41 0.69 0.00 0.00 0.00 0.00 19.45 19.14 1cw1 n ALA 342 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1cw1 h PRO 343 N -0.31 0.00 -0.49 0.00 0.13 -1.94 -1.43 132.00 127.97 1cw1 h PRO 343 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1cw1 h PRO 343 Cb 0.82 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 1cw1 h PRO 343 CO 0.31 0.00 0.20 0.87 -0.23 0.00 0.00 178.00 179.16 1cw1 h LYS 344 N 0.00 0.69 -0.03 0.86 6.56 -2.01 -2.73 116.57 119.92 1cw1 h LYS 344 Ca 0.33 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1cw1 h LYS 344 Cb 1.65 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 33.18 1cw1 h LYS 344 CO -0.00 0.56 -0.07 0.66 -2.06 0.00 0.00 179.45 178.54 1cw1 n TYR 345 N -4.36 0.00 -1.64 -1.35 0.53 -0.54 -4.97 117.16 104.83 1cw1 n TYR 345 Ca 0.04 0.00 -0.49 0.00 -1.02 0.00 0.00 57.90 56.42 1cw1 n TYR 345 Cb 0.15 -0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.40 1cw1 n TYR 345 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1cw1 n ALA 346 N 0.92 0.20 -0.68 -0.72 0.00 -1.03 -1.31 120.51 117.89 1cw1 n ALA 346 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1cw1 n ALA 346 Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1cw1 n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cw1 n GLY 347 N 3.10 1.47 0.20 0.00 0.00 -1.26 -4.89 105.19 103.81 1cw1 n GLY 347 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1cw1 n GLY 347 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cw1 n GLN 348 N -2.00 0.98 -3.85 1.61 6.02 -0.43 -4.92 117.38 114.79 1cw1 n GLN 348 Ca 0.00 -0.40 -0.27 0.00 -0.01 0.00 0.00 57.00 56.32 1cw1 n GLN 348 Cb 0.00 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 29.79 1cw1 n GLN 348 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1cw1 n ASP 349 N -0.66 -3.38 -0.01 1.08 2.03 -1.26 -4.88 116.55 109.46 1cw1 n ASP 349 Ca 0.17 -0.81 -0.02 0.00 0.52 0.00 0.00 54.79 54.65 1cw1 n ASP 349 Cb 0.28 -3.88 -0.02 0.00 -0.72 0.00 0.00 41.12 36.78 1cw1 n ASP 349 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cw1 n LYS 350 N -4.54 2.24 -1.21 -0.67 4.81 -1.26 -0.68 118.16 116.85 1cw1 n LYS 350 Ca -0.09 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.06 1cw1 n LYS 350 Cb 0.58 -1.06 0.12 0.00 0.02 0.00 0.00 35.03 34.69 1cw1 n LYS 350 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1cw1 s VAL 351 N -2.06 2.93 -0.26 3.15 -7.23 -1.26 -4.25 120.40 111.43 1cw1 s VAL 351 Ca -0.02 0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.16 1cw1 s VAL 351 Cb 0.01 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.18 1cw1 s VAL 351 CO 0.09 -0.40 1.13 0.21 -0.31 0.00 0.00 175.10 175.82 1cw1 s ASN 352 N -3.39 6.96 0.00 4.85 3.84 -1.26 -4.19 114.94 121.75 1cw1 s ASN 352 Ca 0.63 1.31 0.17 0.00 0.21 0.00 0.00 52.86 55.18 1cw1 s ASN 352 Cb -0.18 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.71 1cw1 s ASN 352 CO 0.57 -0.81 1.51 -0.81 -2.79 0.00 0.00 177.10 174.76 1cw1 n PRO 353 N 6.69 1.47 -0.22 0.43 -0.04 -1.26 -4.39 135.00 137.68 1cw1 n PRO 353 Ca 0.13 -0.71 0.09 0.00 -0.04 0.00 0.00 63.50 62.96 1cw1 n PRO 353 Cb 0.46 -1.32 0.36 0.00 -0.04 0.00 0.00 33.50 32.97 1cw1 n PRO 353 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1cw1 h GLY 354 N 5.24 1.05 0.76 0.55 0.00 -1.91 -1.88 103.07 106.87 1cw1 h GLY 354 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1cw1 h GLY 354 CO 0.00 0.17 -0.17 0.23 0.00 0.00 0.00 176.54 176.77 1cw1 h SER 355 N 0.73 -0.40 -0.04 0.19 0.87 -1.73 -0.79 113.55 112.37 1cw1 h SER 355 Ca 0.37 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1cw1 h SER 355 Cb 0.46 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1cw1 h SER 355 CO -0.14 -0.10 -0.11 -0.29 -0.53 0.00 0.00 176.83 175.66 1cw1 h ILE 356 N -0.73 1.19 -0.28 2.23 2.10 -1.83 -0.34 117.51 119.85 1cw1 h ILE 356 Ca -0.05 -0.82 -0.08 0.00 1.08 0.00 0.00 64.86 64.99 1cw1 h ILE 356 Cb 0.50 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.38 1cw1 h ILE 356 CO 0.08 0.26 -0.12 0.40 -1.08 0.00 0.00 178.15 177.70 1cw1 h ILE 357 N 0.31 1.29 0.00 2.19 2.04 -1.30 0.21 117.51 122.25 1cw1 h ILE 357 Ca 0.06 -1.19 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 1cw1 h ILE 357 Cb 0.39 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1cw1 h ILE 357 CO 0.02 0.38 -0.31 -0.07 0.00 0.00 0.00 178.15 178.17 1cw1 h LEU 358 N 0.32 0.00 -0.56 1.44 3.38 -0.77 -0.75 115.31 118.38 1cw1 h LEU 358 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1cw1 h LEU 358 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1cw1 h LEU 358 CO 0.04 0.31 -0.71 0.28 0.09 0.00 0.00 178.44 178.44 1cw1 h SER 359 N 0.00 0.08 0.48 -0.43 0.02 -0.71 -2.18 113.55 110.80 1cw1 h SER 359 Ca -0.00 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 1cw1 h SER 359 Cb 0.72 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1cw1 h SER 359 CO 0.04 0.76 -0.59 0.00 -1.14 0.00 0.00 176.83 175.90 1cw1 h ALA 360 N 1.23 0.95 -0.10 3.77 0.00 0.03 -1.07 119.26 124.08 1cw1 h ALA 360 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1cw1 h ALA 360 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1cw1 h ALA 360 CO 0.10 0.73 -0.55 1.05 0.00 0.00 0.00 179.25 180.58 1cw1 h GLU 361 N 0.09 0.29 -0.42 0.00 -0.00 -0.86 0.58 114.58 114.25 1cw1 h GLU 361 Ca -0.01 -0.18 -0.12 0.00 -0.00 0.00 0.00 59.36 59.06 1cw1 h GLU 361 Cb 1.06 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.82 1cw1 h GLU 361 CO 0.08 0.76 -0.21 0.52 -0.00 0.00 0.00 179.01 180.16 1cw1 h MET 362 N 0.22 0.84 -0.07 1.06 2.86 -1.10 -1.36 114.93 117.38 1cw1 h MET 362 Ca 0.00 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1cw1 h MET 362 Cb 1.04 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1cw1 h MET 362 CO 0.09 0.98 0.03 1.98 1.06 0.00 0.00 176.91 181.05 1cw1 h MET 363 N 0.73 0.10 -0.65 1.72 1.85 -0.65 -0.12 114.93 117.91 1cw1 h MET 363 Ca 0.10 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.20 1cw1 h MET 363 Cb 0.74 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.72 1cw1 h MET 363 CO 0.06 0.17 0.41 -0.07 -0.40 0.00 0.00 176.91 177.08 1cw1 h LEU 364 N -0.00 0.69 -0.75 3.39 4.07 -0.77 -1.02 115.31 120.92 1cw1 h LEU 364 Ca 0.02 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.92 1cw1 h LEU 364 Cb 0.10 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1cw1 h LEU 364 CO -0.00 0.49 0.27 -0.09 -1.08 0.00 0.00 178.44 178.03 1cw1 h ARG 365 N 0.82 1.15 -0.61 1.13 2.43 -1.02 -0.36 114.38 117.92 1cw1 h ARG 365 Ca 0.25 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1cw1 h ARG 365 Cb -0.03 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 1cw1 h ARG 365 CO -0.08 0.96 0.39 1.25 -1.51 0.00 0.00 179.97 180.98 1cw1 h HIS 366 N 1.10 0.78 0.00 2.20 2.76 -0.33 -0.48 115.15 121.18 1cw1 h HIS 366 Ca 0.25 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1cw1 h HIS 366 Cb 0.26 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1cw1 h HIS 366 CO 0.02 0.50 0.00 -1.33 -1.30 0.00 0.00 177.93 175.82 1cw1 n MET 367 N -4.43 0.36 -0.57 5.26 2.81 -0.45 -4.87 117.12 115.22 1cw1 n MET 367 Ca 0.06 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1cw1 n MET 367 Cb 0.05 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1cw1 n MET 367 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cw1 n GLY 368 N 0.81 0.76 2.59 3.03 0.00 -0.19 -4.81 105.19 107.38 1cw1 n GLY 368 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1cw1 n GLY 368 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cw1 n TRP 369 N -2.24 2.66 0.02 1.61 7.02 -0.22 -4.77 117.44 121.51 1cw1 n TRP 369 Ca 0.00 -2.77 0.03 0.00 -1.02 0.00 0.00 57.50 53.74 1cw1 n TRP 369 Cb 0.00 -1.75 0.39 0.00 -2.42 0.00 0.00 31.31 27.53 1cw1 n TRP 369 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 1cw1 h THR 370 N 2.81 1.13 -0.10 -0.99 1.35 -1.83 -2.42 112.91 112.86 1cw1 h THR 370 Ca 0.60 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 66.06 1cw1 h THR 370 Cb 0.38 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1cw1 h THR 370 CO 1.47 0.16 0.04 -0.33 -0.25 0.00 0.00 175.52 176.60 1cw1 h GLU 371 N 0.49 0.15 -0.60 4.72 3.07 -1.95 0.16 114.58 120.62 1cw1 h GLU 371 Ca 0.12 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1cw1 h GLU 371 Cb 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1cw1 h GLU 371 CO -0.01 0.27 0.30 0.00 -1.40 0.00 0.00 179.01 178.16 1cw1 h ALA 372 N 0.88 0.78 -0.57 3.43 0.00 -1.79 -1.29 119.26 120.70 1cw1 h ALA 372 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1cw1 h ALA 372 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1cw1 h ALA 372 CO -0.00 0.33 0.35 0.00 0.00 0.00 0.00 179.25 179.93 1cw1 h ALA 373 N 1.13 0.73 -0.71 0.00 0.00 -1.27 -1.95 119.26 117.18 1cw1 h ALA 373 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cw1 h ALA 373 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1cw1 h ALA 373 CO -0.03 0.20 0.45 -0.44 0.00 0.00 0.00 179.25 179.43 1cw1 h ASP 374 N 0.77 0.83 -0.60 0.00 3.45 -0.29 -1.87 116.42 118.71 1cw1 h ASP 374 Ca 0.21 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 1cw1 h ASP 374 Cb -0.03 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.50 1cw1 h ASP 374 CO -0.04 0.62 0.24 -0.07 -1.57 0.00 0.00 179.24 178.43 1cw1 h LEU 375 N 0.98 0.83 -0.42 1.55 4.07 -0.52 -0.86 115.31 120.93 1cw1 h LEU 375 Ca 0.26 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1cw1 h LEU 375 Cb -0.08 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 1cw1 h LEU 375 CO -0.05 0.77 0.16 0.40 -1.08 0.00 0.00 178.44 178.64 1cw1 h ILE 376 N 0.84 1.21 -0.46 1.22 2.04 -0.81 0.15 117.51 121.70 1cw1 h ILE 376 Ca 0.20 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.43 1cw1 h ILE 376 Cb 0.20 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1cw1 h ILE 376 CO -0.02 0.24 0.27 0.58 0.00 0.00 0.00 178.15 179.22 1cw1 h VAL 377 N 0.54 1.05 -0.80 1.67 2.07 -1.15 0.57 116.25 120.19 1cw1 h VAL 377 Ca 0.14 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1cw1 h VAL 377 Cb 0.21 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1cw1 h VAL 377 CO -0.01 0.10 0.48 0.50 0.02 0.00 0.00 177.57 178.66 1cw1 h LYS 378 N 0.55 1.09 -0.40 1.57 3.64 -0.82 -0.61 116.57 121.60 1cw1 h LYS 378 Ca 0.18 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1cw1 h LYS 378 Cb 0.02 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1cw1 h LYS 378 CO -0.08 0.78 0.08 0.78 -2.27 0.00 0.00 179.45 178.73 1cw1 h GLY 379 N 1.10 0.70 0.92 5.01 0.00 0.03 -1.43 103.07 109.40 1cw1 h GLY 379 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1cw1 h GLY 379 CO -0.05 0.43 0.11 1.98 0.00 0.00 0.00 176.54 179.01 1cw1 h MET 380 N 0.51 0.38 -0.62 4.80 1.85 -0.65 -1.13 114.93 120.07 1cw1 h MET 380 Ca 0.12 -0.06 0.02 0.00 -0.61 0.00 0.00 59.70 59.17 1cw1 h MET 380 Cb 0.35 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 1cw1 h MET 380 CO 0.01 0.39 0.39 0.93 -0.40 0.00 0.00 176.91 178.23 1cw1 h GLU 381 N 0.28 0.75 -0.19 0.39 5.08 -1.03 -1.57 114.58 118.29 1cw1 h GLU 381 Ca 0.09 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1cw1 h GLU 381 Cb 0.15 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1cw1 h GLU 381 CO -0.01 0.50 -0.02 0.78 -1.00 0.00 0.00 179.01 179.26 1cw1 h GLY 382 N 0.77 0.37 0.98 -3.84 0.00 -1.08 -1.45 103.07 98.83 1cw1 h GLY 382 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1cw1 h GLY 382 CO -0.09 0.27 0.20 0.00 0.00 0.00 0.00 176.54 176.91 1cw1 h ALA 383 N 0.76 0.41 -0.28 3.60 0.00 -1.07 0.13 119.26 122.81 1cw1 h ALA 383 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1cw1 h ALA 383 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1cw1 h ALA 383 CO 0.01 -0.09 0.06 0.82 0.00 0.00 0.00 179.25 180.05 1cw1 h ILE 384 N 0.42 1.22 0.00 0.00 2.04 -1.32 -2.48 117.51 117.38 1cw1 h ILE 384 Ca 0.12 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1cw1 h ILE 384 Cb 0.01 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1cw1 h ILE 384 CO -0.02 0.24 -0.17 -1.13 0.00 0.00 0.00 178.15 177.07 1cw1 h ASN 385 N 0.29 0.00 0.69 1.72 -0.73 -1.06 -0.80 115.58 115.70 1cw1 h ASN 385 Ca 0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1cw1 h ASN 385 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.90 1cw1 h ASN 385 CO 0.00 0.17 0.00 0.00 -0.37 0.00 0.00 177.43 177.23 1cw1 n ALA 386 N -2.40 2.23 -2.37 1.57 0.00 0.44 -4.90 120.51 115.08 1cw1 n ALA 386 Ca -0.02 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 1cw1 n ALA 386 Cb 0.25 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1cw1 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cw1 n LYS 387 N -1.40 -1.59 -3.62 0.00 5.02 -0.31 -4.85 118.16 111.42 1cw1 n LYS 387 Ca 0.09 0.85 -0.39 0.00 -2.02 0.00 0.00 58.31 56.83 1cw1 n LYS 387 Cb 0.25 -5.33 -0.08 0.00 -0.02 0.00 0.00 35.03 29.85 1cw1 n LYS 387 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cw1 s THR 388 N -2.89 4.12 0.27 -0.18 -4.23 -1.12 -0.11 115.64 111.49 1cw1 s THR 388 Ca 0.02 -2.48 0.02 0.00 -1.18 0.00 0.00 61.69 58.07 1cw1 s THR 388 Cb -0.01 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1cw1 s THR 388 CO 0.02 -0.86 0.17 0.68 -0.54 0.00 0.00 174.62 174.09 1cw1 s VAL 389 N 0.47 0.16 0.87 2.29 -7.23 -0.52 -4.62 120.40 111.82 1cw1 s VAL 389 Ca 0.13 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.18 1cw1 s VAL 389 Cb -0.20 -2.52 0.11 0.00 0.56 0.00 0.00 36.38 34.34 1cw1 s VAL 389 CO -0.04 0.00 1.13 0.42 -0.31 0.00 0.00 175.10 176.30 1cw1 s THR 390 N -3.78 2.35 0.27 5.32 -4.23 -1.25 0.01 115.64 114.32 1cw1 s THR 390 Ca 0.38 0.11 -0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1cw1 s THR 390 Cb 0.05 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 71.27 1cw1 s THR 390 CO 0.17 -0.15 1.75 0.10 -0.54 0.00 0.00 174.62 175.96 1cw1 h TYR 391 N -1.34 0.75 -0.32 3.99 -0.00 -1.75 -1.13 116.97 117.17 1cw1 h TYR 391 Ca -0.49 0.04 0.09 0.00 0.00 0.00 0.00 58.73 58.36 1cw1 h TYR 391 Cb 1.31 -0.20 -0.01 0.00 0.00 0.00 0.00 36.73 37.83 1cw1 h TYR 391 CO 0.35 0.15 0.24 0.38 -0.00 0.00 0.00 178.16 179.28 1cw1 h ASP 392 N 0.59 0.00 0.00 0.10 2.03 -1.93 0.41 116.42 117.62 1cw1 h ASP 392 Ca 0.48 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.58 1cw1 h ASP 392 Cb 0.71 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.18 1cw1 h ASP 392 CO -0.38 0.00 -1.19 0.49 -1.03 0.00 0.00 179.24 177.12 1cw1 n PHE 393 N -4.35 0.91 -0.29 4.15 3.01 -0.76 -4.43 117.46 115.70 1cw1 n PHE 393 Ca 0.05 0.40 0.11 0.00 1.01 0.00 0.00 57.45 59.01 1cw1 n PHE 393 Cb 0.41 -1.02 0.28 0.00 -0.01 0.00 0.00 39.48 39.14 1cw1 n PHE 393 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cw1 h GLU 394 N -1.00 0.38 -0.17 -1.08 4.22 -0.93 -0.67 114.58 115.32 1cw1 h GLU 394 Ca -0.30 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.17 1cw1 h GLU 394 Cb 1.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1cw1 h GLU 394 CO -0.18 0.25 0.16 0.00 -2.18 0.00 0.00 179.01 177.06 1cw1 h ARG 395 N 0.39 0.00 -0.69 1.92 2.47 -1.13 -1.07 114.38 116.26 1cw1 h ARG 395 Ca 0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.24 1cw1 h ARG 395 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1cw1 h ARG 395 CO -0.51 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.30 1cw1 n LEU 396 N -4.05 4.32 -4.26 3.04 4.77 -0.26 -4.98 117.00 115.57 1cw1 n LEU 396 Ca 0.01 -2.20 -0.15 0.00 -0.03 0.00 0.00 56.01 53.64 1cw1 n LEU 396 Cb 0.29 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1cw1 n LEU 396 CO 0.30 0.91 -0.37 -0.04 -1.33 0.00 0.00 177.39 176.86 1cw1 s MET 397 N -1.39 1.13 -0.04 3.23 -1.94 -0.41 -4.92 119.30 114.96 1cw1 s MET 397 Ca 0.50 -1.52 0.05 0.00 -1.71 0.00 0.00 55.69 53.01 1cw1 s MET 397 Cb 0.29 -0.51 -0.02 0.00 2.01 0.00 0.00 34.83 36.60 1cw1 s MET 397 CO 0.29 -0.03 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.57 1cw1 s ASP 398 N -3.20 3.60 -0.65 3.03 1.01 -1.26 -4.64 116.67 114.56 1cw1 s ASP 398 Ca 0.21 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 53.15 1cw1 s ASP 398 Cb 0.04 -0.68 0.00 0.00 1.01 0.00 0.00 42.92 43.30 1cw1 s ASP 398 CO 0.03 0.33 0.00 0.61 0.21 0.00 0.00 175.17 176.35 1cw1 n GLY 399 N 2.43 0.34 3.86 0.21 0.00 -1.26 -5.03 105.19 105.74 1cw1 n GLY 399 Ca -0.17 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1cw1 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cw1 s ALA 400 N -2.33 3.77 -0.29 4.61 0.00 -1.26 -4.98 121.76 121.28 1cw1 s ALA 400 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1cw1 s ALA 400 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1cw1 s ALA 400 CO 0.00 0.61 0.20 0.21 0.00 0.00 0.00 175.76 176.77 1cw1 s LYS 401 N -2.93 3.89 0.04 0.00 2.20 0.84 -5.01 119.74 118.76 1cw1 s LYS 401 Ca 0.32 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 1cw1 s LYS 401 Cb -0.11 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1cw1 s LYS 401 CO 0.26 -0.21 1.29 -1.17 -0.36 0.00 0.00 175.35 175.15 1cw1 s LEU 402 N 1.75 4.34 0.07 5.43 2.96 -1.26 -1.44 118.68 130.54 1cw1 s LEU 402 Ca 0.07 2.07 0.07 0.00 -0.22 0.00 0.00 54.13 56.12 1cw1 s LEU 402 Cb -0.16 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1cw1 s LEU 402 CO 0.11 -0.60 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.61 1cw1 s LEU 403 N 1.63 2.24 0.91 -0.68 1.02 0.10 -4.90 118.68 119.00 1cw1 s LEU 403 Ca 0.61 -0.58 -0.13 0.00 0.02 0.00 0.00 54.13 54.05 1cw1 s LEU 403 Cb -0.31 -0.75 0.14 0.00 0.02 0.00 0.00 46.19 45.29 1cw1 s LEU 403 CO 0.27 0.04 1.16 -0.54 0.02 0.00 0.00 176.35 177.31 1cw1 s LYS 404 N -1.53 1.15 0.12 1.70 1.02 -1.26 -3.92 119.74 117.01 1cw1 s LYS 404 Ca 0.04 0.18 -0.22 0.00 0.02 0.00 0.00 55.97 55.98 1cw1 s LYS 404 Cb -0.09 -1.85 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1cw1 s LYS 404 CO 0.03 -2.17 1.69 0.00 -0.92 0.00 0.00 175.35 173.97 1cw1 h SER 406 N -0.14 1.09 -0.07 0.00 4.64 -1.88 -2.16 113.55 115.02 1cw1 h SER 406 Ca 0.07 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1cw1 h SER 406 Cb 0.24 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1cw1 h SER 406 CO -0.17 0.94 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.29 1cw1 h GLU 407 N 1.16 0.36 -0.10 4.77 5.08 -1.81 -1.35 114.58 122.69 1cw1 h GLU 407 Ca 0.27 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1cw1 h GLU 407 Cb 0.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1cw1 h GLU 407 CO -0.03 0.48 -0.55 0.35 -1.00 0.00 0.00 179.01 178.26 1cw1 h PHE 408 N 0.34 0.36 -0.46 4.33 3.57 -0.66 -0.50 116.94 123.92 1cw1 h PHE 408 Ca 0.07 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1cw1 h PHE 408 Cb 0.41 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1cw1 h PHE 408 CO 0.01 0.77 0.27 0.78 -2.23 0.00 0.00 178.31 177.91 1cw1 h GLY 409 N 1.36 0.68 0.99 2.40 0.00 -0.66 -0.90 103.07 106.94 1cw1 h GLY 409 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1cw1 h GLY 409 CO 0.09 0.28 0.31 -0.55 0.00 0.00 0.00 176.54 176.67 1cw1 h ASP 410 N 0.61 0.72 -0.93 0.19 3.45 -0.95 -1.95 116.42 117.56 1cw1 h ASP 410 Ca 0.16 -0.10 0.07 0.00 0.43 0.00 0.00 57.03 57.59 1cw1 h ASP 410 Cb 0.02 -0.18 -0.07 0.00 -0.56 0.00 0.00 39.33 38.54 1cw1 h ASP 410 CO -0.03 0.61 0.59 0.00 -1.57 0.00 0.00 179.24 178.84 1cw1 h ALA 411 N 1.14 1.30 -0.00 3.45 0.00 -0.60 0.25 119.26 124.78 1cw1 h ALA 411 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1cw1 h ALA 411 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1cw1 h ALA 411 CO -0.03 0.35 0.00 0.82 0.00 0.00 0.00 179.25 180.39 1cw1 h ILE 412 N 1.06 1.04 -0.53 0.00 2.04 -0.59 -1.76 117.51 118.78 1cw1 h ILE 412 Ca 0.41 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 66.19 1cw1 h ILE 412 Cb 0.19 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1cw1 h ILE 412 CO -0.18 0.03 0.26 0.40 0.00 0.00 0.00 178.15 178.66 1cw1 h ILE 413 N -0.05 0.94 0.00 -0.67 2.04 -0.57 -1.36 117.51 117.83 1cw1 h ILE 413 Ca 0.00 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1cw1 h ILE 413 Cb 0.05 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1cw1 h ILE 413 CO -0.00 0.09 -0.02 -0.33 0.00 0.00 0.00 178.15 177.89 1cw1 h GLU 414 N 0.50 0.00 -0.26 2.37 5.08 -0.23 -1.64 114.58 120.40 1cw1 h GLU 414 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1cw1 h GLU 414 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1cw1 h GLU 414 CO -0.17 0.02 0.00 0.09 -1.00 0.00 0.00 179.01 177.95 1cw1 n ASN 415 N -3.80 2.87 0.00 1.42 3.02 -0.54 -5.08 115.26 113.16 1cw1 n ASN 415 Ca -0.03 -1.91 0.09 0.00 -0.03 0.00 0.00 54.58 52.71 1cw1 n ASN 415 Cb 0.11 -0.16 0.56 0.00 -0.61 0.00 0.00 39.78 39.68 1cw1 n ASN 415 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87