#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwk s ILE 28 N 0.00 5.08 -1.13 5.18 1.01 -1.26 -4.98 121.20 125.10 3hwk s ILE 28 Ca 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 60.65 61.15 3hwk s ILE 28 Cb 0.00 -3.85 0.23 0.00 0.01 0.00 0.00 42.46 38.85 3hwk s ILE 28 CO 0.00 -0.03 2.11 0.29 0.00 0.00 0.00 174.94 177.30 3hwk n LYS 29 N 5.56 4.89 -1.66 2.79 4.76 -1.26 -5.01 118.16 128.23 3hwk n LYS 29 Ca -0.06 -4.04 -0.57 0.00 -2.87 0.00 0.00 58.31 50.77 3hwk n LYS 29 Cb 0.50 -2.52 -0.07 0.00 -1.84 0.00 0.00 35.03 31.09 3hwk n LYS 29 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3hwk n LYS 30 N 0.71 0.92 -0.87 1.97 4.76 -1.26 -0.53 118.16 123.85 3hwk n LYS 30 Ca 0.54 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 56.31 3hwk n LYS 30 Cb 0.26 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 3hwk n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hwk n GLY 31 N 3.46 0.64 2.34 0.72 0.00 -1.26 -3.43 105.19 107.65 3hwk n GLY 31 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 3hwk n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hwk n LEU 32 N 0.00 -1.35 -4.67 0.99 4.77 0.31 -4.89 117.00 112.15 3hwk n LEU 32 Ca 0.00 0.27 -0.49 0.00 -0.03 0.00 0.00 56.01 55.76 3hwk n LEU 32 Cb 0.03 -2.45 -0.05 0.00 -2.33 0.00 0.00 43.42 38.62 3hwk n LEU 32 CO 0.00 -0.56 1.29 0.00 -1.33 0.00 0.00 177.39 176.79 3hwk n ALA 33 N -0.45 0.72 -3.66 -1.18 0.00 -1.22 -1.55 120.51 113.17 3hwk n ALA 33 Ca -0.18 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 3hwk n ALA 33 Cb 0.59 -2.36 0.02 0.00 0.00 0.00 0.00 19.45 17.69 3hwk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwk n GLY 34 N 3.78 -0.50 3.49 0.00 0.00 -1.26 -4.98 105.19 105.72 3hwk n GLY 34 Ca 0.20 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 3hwk n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwk s VAL 35 N -3.17 3.99 -0.29 1.61 1.01 -0.60 -5.09 120.40 117.86 3hwk s VAL 35 Ca 0.55 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 3hwk s VAL 35 Cb -0.28 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3hwk s VAL 35 CO 0.68 0.46 0.61 -0.69 0.00 0.00 0.00 175.10 176.16 3hwk s VAL 36 N 0.63 4.97 -0.07 2.92 1.01 -1.26 -4.94 120.40 123.66 3hwk s VAL 36 Ca -0.01 0.89 0.18 0.00 0.00 0.00 0.00 61.98 63.04 3hwk s VAL 36 Cb -0.14 -3.96 -0.28 0.00 0.00 0.00 0.00 36.38 32.00 3hwk s VAL 36 CO 0.02 -0.08 0.41 1.33 0.00 0.00 0.00 175.10 176.78 3hwk n VAL 37 N 5.33 0.00 -3.74 2.92 0.24 -1.26 -5.06 118.33 116.75 3hwk n VAL 37 Ca -0.02 -0.39 -0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3hwk n VAL 37 Cb 0.49 0.14 -0.00 0.00 -1.47 0.00 0.00 33.84 32.99 3hwk n VAL 37 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hwk s ASP 38 N -4.00 -0.07 0.11 -1.34 -1.08 -1.26 -5.17 116.67 103.86 3hwk s ASP 38 Ca -0.06 -0.29 0.03 0.00 -0.52 0.00 0.00 52.55 51.71 3hwk s ASP 38 Cb 0.12 0.29 -0.04 0.00 -1.46 0.00 0.00 42.92 41.82 3hwk s ASP 38 CO 0.75 -0.54 0.17 0.42 0.52 0.00 0.00 175.17 176.49 3hwk s THR 39 N -2.53 4.91 0.02 1.71 -4.23 -1.26 -5.13 115.64 109.13 3hwk s THR 39 Ca 0.17 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.90 3hwk s THR 39 Cb 0.02 -3.44 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 3hwk s THR 39 CO -0.01 0.02 0.08 0.28 -0.54 0.00 0.00 174.62 174.46 3hwk s THR 40 N -1.59 0.11 -1.36 3.99 -1.32 -1.26 -5.04 115.64 109.18 3hwk s THR 40 Ca 0.32 -0.93 0.13 0.00 -1.21 0.00 0.00 61.69 60.00 3hwk s THR 40 Cb -0.12 -0.61 0.03 0.00 -1.51 0.00 0.00 72.50 70.29 3hwk s THR 40 CO 0.25 -0.51 0.80 0.00 -2.21 0.00 0.00 174.62 172.95 3hwk n ALA 41 N 1.16 2.82 0.00 11.08 0.00 -1.26 -4.79 120.51 129.53 3hwk n ALA 41 Ca -0.21 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.53 3hwk n ALA 41 Cb 0.57 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 3hwk n ALA 41 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hwk h ILE 42 N 1.85 1.44 -3.19 0.00 2.04 -1.96 -3.40 117.51 114.30 3hwk h ILE 42 Ca 0.00 -2.06 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 3hwk h ILE 42 Cb 0.48 2.60 -0.11 0.00 -0.74 0.00 0.00 36.82 39.05 3hwk h ILE 42 CO 0.00 0.60 0.09 -0.94 0.00 0.00 0.00 178.15 177.89 3hwk s SER 43 N -6.71 -0.38 -0.17 1.72 1.04 -1.26 -0.44 113.70 107.50 3hwk s SER 43 Ca -0.13 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 3hwk s SER 43 Cb 0.03 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.78 3hwk s SER 43 CO 0.82 -0.97 0.59 -0.75 0.98 0.00 0.00 173.24 173.90 3hwk s LYS 44 N -3.80 0.77 -0.67 4.02 2.20 -0.98 -4.88 119.74 116.40 3hwk s LYS 44 Ca 0.04 0.63 -0.25 0.00 -0.36 0.00 0.00 55.97 56.04 3hwk s LYS 44 Cb -0.00 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.74 3hwk s LYS 44 CO -0.09 -0.14 1.09 0.08 -0.36 0.00 0.00 175.35 175.92 3hwk s VAL 45 N -0.12 4.10 -0.34 4.02 1.01 -1.26 -0.66 120.40 127.15 3hwk s VAL 45 Ca -0.03 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 3hwk s VAL 45 Cb -0.03 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 3hwk s VAL 45 CO 0.03 -1.54 1.79 -0.69 0.00 0.00 0.00 175.10 174.69 3hwk s VAL 46 N 4.70 3.49 0.36 2.92 1.01 0.79 -4.89 120.40 128.78 3hwk s VAL 46 Ca 0.29 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.83 3hwk s VAL 46 Cb -0.12 -3.67 0.15 0.00 0.00 0.00 0.00 36.38 32.73 3hwk s VAL 46 CO 0.14 -0.44 1.88 1.55 0.00 0.00 0.00 175.10 178.24 3hwk h PRO 47 N 12.88 0.33 -0.57 2.72 0.13 -1.95 0.28 132.00 145.82 3hwk h PRO 47 Ca -0.33 -0.08 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 3hwk h PRO 47 Cb 1.17 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 3hwk h PRO 47 CO 1.04 0.45 0.27 1.96 -0.23 0.00 0.00 178.00 181.49 3hwk h GLN 48 N 0.31 0.50 0.00 0.86 7.50 -1.97 -3.15 115.11 119.15 3hwk h GLN 48 Ca 0.06 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 3hwk h GLN 48 Cb 0.40 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.81 3hwk h GLN 48 CO 0.02 0.33 -1.62 2.41 -1.50 0.00 0.00 178.83 178.47 3hwk n THR 49 N -4.90 0.00 -2.92 -0.54 -1.04 -1.02 -4.98 114.28 98.89 3hwk n THR 49 Ca 0.06 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.05 61.56 3hwk n THR 49 Cb 0.18 0.37 0.03 0.00 -1.82 0.00 0.00 70.33 69.10 3hwk n THR 49 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hwk n ASN 50 N -1.98 -5.65 -4.51 8.00 5.15 0.96 -5.01 115.26 112.22 3hwk n ASN 50 Ca -0.01 -0.25 -0.34 0.00 -0.60 0.00 0.00 54.58 53.38 3hwk n ASN 50 Cb 0.48 -4.48 -0.12 0.00 -0.53 0.00 0.00 39.78 35.13 3hwk n ASN 50 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3hwk s SER 51 N -2.73 4.81 0.02 1.20 0.01 -1.09 -4.49 113.70 111.43 3hwk s SER 51 Ca 0.27 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 3hwk s SER 51 Cb -0.12 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 3hwk s SER 51 CO 0.33 0.19 1.07 -0.22 0.41 0.00 0.00 173.24 175.02 3hwk s LEU 52 N 0.22 4.37 -0.01 2.44 2.96 -1.26 -0.15 118.68 127.25 3hwk s LEU 52 Ca -0.02 1.80 0.08 0.00 -0.22 0.00 0.00 54.13 55.76 3hwk s LEU 52 Cb -0.14 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3hwk s LEU 52 CO 0.03 -0.35 -0.25 0.42 -1.32 0.00 0.00 176.35 174.88 3hwk s THR 53 N 1.06 2.19 -0.28 3.68 -4.23 0.17 -0.63 115.64 117.61 3hwk s THR 53 Ca 0.55 -1.11 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 3hwk s THR 53 Cb -0.24 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 3hwk s THR 53 CO 0.28 0.55 0.12 -0.31 -0.54 0.00 0.00 174.62 174.71 3hwk s TYR 54 N -0.66 3.14 -1.57 3.99 2.02 0.47 -2.32 117.35 122.42 3hwk s TYR 54 Ca 0.11 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 56.21 3hwk s TYR 54 Cb -0.10 -2.30 0.09 0.00 -0.40 0.00 0.00 41.96 39.25 3hwk s TYR 54 CO -0.00 -0.40 0.69 0.54 -1.57 0.00 0.00 175.55 174.81 3hwk n ARG 55 N 4.95 -3.64 0.00 -0.62 5.12 0.42 -2.32 116.66 120.57 3hwk n ARG 55 Ca -0.15 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 3hwk n ARG 55 Cb 0.50 -4.97 0.00 0.00 -1.16 0.00 0.00 32.46 26.83 3hwk n ARG 55 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwk n GLY 56 N -1.65 2.70 3.73 -0.13 0.00 -1.26 -4.98 105.19 103.59 3hwk n GLY 56 Ca -0.07 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3hwk n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwk s TYR 57 N -1.04 3.72 0.37 1.61 2.02 -0.98 -4.89 117.35 118.16 3hwk s TYR 57 Ca 0.00 1.71 -0.27 0.00 -0.37 0.00 0.00 57.07 58.14 3hwk s TYR 57 Cb 0.00 -3.14 -0.09 0.00 -0.40 0.00 0.00 41.96 38.33 3hwk s TYR 57 CO 0.00 -0.13 1.19 -2.14 -1.57 0.00 0.00 175.55 172.90 3hwk s PRO 58 N -0.01 4.21 0.32 -1.71 0.02 -1.26 -0.40 135.00 136.18 3hwk s PRO 58 Ca 0.49 1.92 0.05 0.00 0.02 0.00 0.00 61.00 63.47 3hwk s PRO 58 Cb -0.25 -2.84 0.54 0.00 0.02 0.00 0.00 34.50 31.96 3hwk s PRO 58 CO 0.31 -0.21 1.80 -0.39 -0.33 0.00 0.00 177.00 178.18 3hwk h VAL 59 N 2.60 1.24 -0.52 3.83 -1.51 -1.23 -2.10 116.25 118.57 3hwk h VAL 59 Ca -0.48 -1.08 -0.03 0.00 -1.23 0.00 0.00 66.70 63.87 3hwk h VAL 59 Cb 1.23 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 31.63 3hwk h VAL 59 CO 0.64 0.34 0.18 1.56 -1.23 0.00 0.00 177.57 179.06 3hwk h GLN 60 N 0.38 0.76 -0.06 5.19 7.50 -1.91 0.24 115.11 127.20 3hwk h GLN 60 Ca 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 58.65 59.07 3hwk h GLN 60 Cb 0.54 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.94 3hwk h GLN 60 CO 0.04 0.65 -0.06 -0.44 -1.50 0.00 0.00 178.83 177.52 3hwk h ASP 61 N 0.75 0.15 -0.44 1.46 5.19 -1.81 -2.07 116.42 119.64 3hwk h ASP 61 Ca 0.18 -0.49 0.06 0.00 -0.62 0.00 0.00 57.03 56.16 3hwk h ASP 61 Cb 0.19 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.61 3hwk h ASP 61 CO -0.01 0.61 0.13 -0.07 -3.12 0.00 0.00 179.24 176.78 3hwk h LEU 62 N -0.30 0.11 -1.87 1.55 3.38 -1.12 -1.60 115.31 115.45 3hwk h LEU 62 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hwk h LEU 62 Cb 0.56 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3hwk h LEU 62 CO 0.01 0.09 -0.02 0.00 0.09 0.00 0.00 178.44 178.62 3hwk h ALA 63 N 1.31 1.90 0.10 1.53 0.00 -0.49 0.27 119.26 123.87 3hwk h ALA 63 Ca 0.21 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 63 Cb 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hwk h ALA 63 CO -0.24 0.08 -0.93 0.00 0.00 0.00 0.00 179.25 178.16 3hwk h ALA 64 N 1.93 -0.02 0.00 0.00 0.00 -0.72 -3.41 119.26 117.05 3hwk h ALA 64 Ca 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 3hwk h ALA 64 Cb 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hwk h ALA 64 CO 0.00 0.49 -1.82 0.54 0.00 0.00 0.00 179.25 178.46 3hwk n ARG 65 N -4.02 0.79 -4.14 0.00 5.12 -0.67 -5.07 116.66 108.69 3hwk n ARG 65 Ca -0.13 -0.11 -0.22 0.00 -1.93 0.00 0.00 57.85 55.46 3hwk n ARG 65 Cb 0.85 -1.38 -0.05 0.00 -1.16 0.00 0.00 32.46 30.71 3hwk n ARG 65 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hwk s SER 67 N -3.81 5.79 0.33 0.00 1.04 -1.26 -4.80 113.70 110.98 3hwk s SER 67 Ca 0.33 0.34 0.01 0.00 0.48 0.00 0.00 55.95 57.11 3hwk s SER 67 Cb -0.07 -1.54 0.56 0.00 0.10 0.00 0.00 66.02 65.07 3hwk s SER 67 CO 0.24 -0.76 1.96 0.15 0.98 0.00 0.00 173.24 175.80 3hwk h PHE 68 N 0.31 0.81 -0.74 5.02 3.57 -1.96 -2.39 116.94 121.55 3hwk h PHE 68 Ca -0.46 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.09 3hwk h PHE 68 Cb 1.25 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 3hwk h PHE 68 CO 0.45 0.57 0.45 0.93 -2.23 0.00 0.00 178.31 178.48 3hwk h GLU 69 N 0.84 0.81 -0.63 1.11 3.07 -1.99 -0.53 114.58 117.25 3hwk h GLU 69 Ca 0.22 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 3hwk h GLU 69 Cb 0.02 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.72 3hwk h GLU 69 CO -0.04 0.53 0.23 1.96 -1.40 0.00 0.00 179.01 180.30 3hwk h GLN 70 N 0.83 0.95 -0.19 2.33 4.20 -1.83 -2.04 115.11 119.37 3hwk h GLN 70 Ca 0.32 -0.19 -0.17 0.00 0.06 0.00 0.00 58.65 58.68 3hwk h GLN 70 Cb 0.14 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hwk h GLN 70 CO -0.16 0.82 -0.57 0.28 -0.67 0.00 0.00 178.83 178.53 3hwk h VAL 71 N 0.89 1.32 -0.09 -0.54 2.07 -1.01 0.36 116.25 119.25 3hwk h VAL 71 Ca 0.21 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3hwk h VAL 71 Cb 0.24 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3hwk h VAL 71 CO -0.01 0.57 0.04 0.00 0.02 0.00 0.00 177.57 178.19 3hwk h ALA 72 N 0.91 0.10 -0.14 1.67 0.00 -1.06 0.38 119.26 121.13 3hwk h ALA 72 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 72 Cb 1.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3hwk h ALA 72 CO 0.11 -0.42 -0.07 0.35 0.00 0.00 0.00 179.25 179.22 3hwk h PHE 73 N 0.10 -0.17 -0.03 0.00 3.57 -1.26 -0.20 116.94 118.94 3hwk h PHE 73 Ca 0.03 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3hwk h PHE 73 Cb 0.00 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3hwk h PHE 73 CO -0.09 -0.11 -0.41 1.25 -2.23 0.00 0.00 178.31 176.72 3hwk h LEU 74 N -0.06 -1.25 -1.33 0.59 5.85 -0.64 0.26 115.31 118.74 3hwk h LEU 74 Ca 0.08 0.16 0.08 0.00 0.84 0.00 0.00 57.88 59.03 3hwk h LEU 74 Cb 0.18 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3hwk h LEU 74 CO -0.18 -0.44 0.51 -0.07 -0.34 0.00 0.00 178.44 177.92 3hwk h LEU 75 N -0.54 0.70 0.15 2.25 3.38 0.23 -0.45 115.31 121.02 3hwk h LEU 75 Ca 0.06 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 3hwk h LEU 75 Cb 0.64 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3hwk h LEU 75 CO -0.33 0.44 -1.24 -0.50 0.09 0.00 0.00 178.44 176.89 3hwk h TRP 76 N 0.79 0.57 0.02 1.13 6.55 -0.48 -3.40 115.95 121.12 3hwk h TRP 76 Ca 0.34 -0.42 -0.30 0.00 0.95 0.00 0.00 58.89 59.47 3hwk h TRP 76 Cb 0.32 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.56 3hwk h TRP 76 CO -0.00 1.48 -1.69 0.00 -1.05 0.00 0.00 178.44 177.18 3hwk h ARG 77 N -0.24 0.05 0.00 0.49 2.47 -0.41 -3.49 114.38 113.25 3hwk h ARG 77 Ca -0.25 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 3hwk h ARG 77 Cb 1.80 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.15 3hwk h ARG 77 CO 0.13 0.65 0.00 0.41 0.56 0.00 0.00 179.97 181.72 3hwk n GLY 78 N 1.60 0.59 3.17 0.04 0.00 -0.19 -5.06 105.19 105.35 3hwk n GLY 78 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3hwk n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwk s GLU 79 N -0.76 0.82 0.46 1.61 0.41 -1.26 -4.96 118.70 115.03 3hwk s GLU 79 Ca 0.00 -1.32 -0.23 0.00 -0.41 0.00 0.00 54.97 53.01 3hwk s GLU 79 Cb 0.00 -0.20 -0.07 0.00 -1.78 0.00 0.00 34.13 32.08 3hwk s GLU 79 CO 0.00 -0.02 1.16 -0.51 -0.49 0.00 0.00 175.26 175.40 3hwk s LEU 80 N -3.00 4.01 0.33 1.80 1.43 -1.26 -3.86 118.68 118.12 3hwk s LEU 80 Ca 0.11 2.29 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 3hwk s LEU 80 Cb 0.05 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 41.93 3hwk s LEU 80 CO -0.05 -0.91 1.09 -2.16 0.23 0.00 0.00 176.35 174.55 3hwk s PRO 81 N -2.71 4.44 0.96 1.29 0.04 -1.26 -5.00 135.00 132.75 3hwk s PRO 81 Ca 0.64 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 3hwk s PRO 81 Cb -0.28 -2.94 0.16 0.00 0.04 0.00 0.00 34.50 31.49 3hwk s PRO 81 CO 0.34 0.05 1.09 0.95 0.04 0.00 0.00 177.00 179.47 3hwk s THR 82 N -1.34 2.41 0.33 1.26 -4.23 -1.26 -4.74 115.64 108.06 3hwk s THR 82 Ca 0.50 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.18 3hwk s THR 82 Cb -0.29 -2.40 0.29 0.00 1.34 0.00 0.00 72.50 71.45 3hwk s THR 82 CO 0.37 -0.17 1.91 0.44 -0.54 0.00 0.00 174.62 176.62 3hwk h ASP 83 N -1.86 0.80 -0.06 3.99 3.32 -1.99 0.16 116.42 120.78 3hwk h ASP 83 Ca -0.50 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 3hwk h ASP 83 Cb 1.29 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3hwk h ASP 83 CO 0.50 0.49 -0.02 0.00 -1.72 0.00 0.00 179.24 178.49 3hwk h ALA 84 N 1.55 0.08 -0.56 3.45 0.00 -2.00 -1.72 119.26 120.07 3hwk h ALA 84 Ca 0.39 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3hwk h ALA 84 Cb 0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3hwk h ALA 84 CO -0.16 -0.20 0.23 0.93 0.00 0.00 0.00 179.25 180.05 3hwk h GLU 85 N -0.25 0.42 -0.81 0.00 5.08 -1.79 -1.93 114.58 115.30 3hwk h GLU 85 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3hwk h GLU 85 Cb 0.42 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3hwk h GLU 85 CO 0.01 0.28 0.46 1.25 -1.00 0.00 0.00 179.01 180.00 3hwk h LEU 86 N 0.43 0.99 -0.81 1.33 5.85 -0.91 -0.96 115.31 121.23 3hwk h LEU 86 Ca 0.27 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 3hwk h LEU 86 Cb 0.28 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3hwk h LEU 86 CO -0.25 0.78 0.09 0.00 -0.34 0.00 0.00 178.44 178.72 3hwk h ALA 87 N 1.38 1.02 -0.04 1.25 0.00 -0.55 -1.28 119.26 121.04 3hwk h ALA 87 Ca 0.29 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 87 Cb -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hwk h ALA 87 CO -0.05 0.62 -0.76 -0.07 0.00 0.00 0.00 179.25 179.00 3hwk h LEU 88 N 0.93 0.74 -0.49 0.00 3.38 -1.06 -2.66 115.31 116.14 3hwk h LEU 88 Ca 0.19 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.46 3hwk h LEU 88 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hwk h LEU 88 CO 0.01 1.35 0.30 0.15 0.09 0.00 0.00 178.44 180.33 3hwk h PHE 89 N 0.19 0.55 -0.40 1.13 3.57 -1.15 -1.79 116.94 119.05 3hwk h PHE 89 Ca -0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 3hwk h PHE 89 Cb 1.43 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3hwk h PHE 89 CO 0.12 0.32 0.03 1.03 -2.23 0.00 0.00 178.31 177.58 3hwk h SER 90 N 0.59 0.58 -0.47 0.41 0.87 -1.26 0.01 113.55 114.29 3hwk h SER 90 Ca 0.19 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 3hwk h SER 90 Cb 0.01 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3hwk h SER 90 CO -0.08 0.63 -0.18 1.56 -0.53 0.00 0.00 176.83 178.23 3hwk h GLN 91 N 0.59 0.94 -0.71 2.24 1.08 -1.17 -1.57 115.11 116.52 3hwk h GLN 91 Ca 0.13 -0.39 -0.03 0.00 -1.45 0.00 0.00 58.65 56.91 3hwk h GLN 91 Cb 0.33 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3hwk h GLN 91 CO 0.01 1.06 0.34 0.00 -0.95 0.00 0.00 178.83 179.29 3hwk h ARG 92 N 0.79 1.02 -0.05 1.46 3.08 -0.53 -0.81 114.38 119.34 3hwk h ARG 92 Ca 0.11 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hwk h ARG 92 Cb 0.75 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3hwk h ARG 92 CO 0.06 0.80 0.02 1.49 -1.07 0.00 0.00 179.97 181.27 3hwk h GLU 93 N 0.99 0.08 -0.47 0.04 4.22 -0.99 -2.84 114.58 115.61 3hwk h GLU 93 Ca 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 3hwk h GLU 93 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3hwk h GLU 93 CO -0.03 0.21 0.26 0.00 -2.18 0.00 0.00 179.01 177.26 3hwk h ARG 94 N -0.07 0.63 -0.03 1.92 3.08 -1.04 -1.98 114.38 116.89 3hwk h ARG 94 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hwk h ARG 94 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3hwk h ARG 94 CO -0.00 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.36 3hwk n ALA 95 N -2.47 2.61 -0.19 0.04 0.00 -0.33 -3.73 120.51 116.45 3hwk n ALA 95 Ca 0.04 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.20 3hwk n ALA 95 Cb 0.09 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.30 3hwk n ALA 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwk n SER 96 N -0.42 2.31 0.08 0.00 7.64 -0.75 -4.74 113.62 117.75 3hwk n SER 96 Ca 0.19 -2.16 0.13 0.00 1.01 0.00 0.00 58.87 58.04 3hwk n SER 96 Cb 0.20 -0.12 0.31 0.00 -1.01 0.00 0.00 64.21 63.59 3hwk n SER 96 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hwk n ARG 97 N -0.39 0.26 -3.04 1.43 1.74 -1.21 -4.10 116.66 111.35 3hwk n ARG 97 Ca 0.05 0.15 -0.36 0.00 -0.77 0.00 0.00 57.85 56.92 3hwk n ARG 97 Cb 0.35 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.99 3hwk n ARG 97 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hwk s ARG 98 N -3.12 4.30 0.00 5.56 0.52 -1.26 -4.65 118.95 120.30 3hwk s ARG 98 Ca 0.09 0.94 0.02 0.00 -0.52 0.00 0.00 55.73 56.26 3hwk s ARG 98 Cb 0.13 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 3hwk s ARG 98 CO 0.65 0.36 -0.03 0.14 0.02 0.00 0.00 175.30 176.44 3hwk s VAL 99 N -1.57 3.90 0.92 3.52 -7.23 -1.26 -5.02 120.40 113.67 3hwk s VAL 99 Ca 0.45 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 3hwk s VAL 99 Cb -0.17 -2.73 0.16 0.00 0.56 0.00 0.00 36.38 34.21 3hwk s VAL 99 CO 0.21 0.38 1.25 -1.81 -0.31 0.00 0.00 175.10 174.82 3hwk s ASP 100 N -1.51 3.47 0.34 4.85 1.01 -1.26 -4.87 116.67 118.70 3hwk s ASP 100 Ca 0.18 0.50 0.03 0.00 0.71 0.00 0.00 52.55 53.98 3hwk s ASP 100 Cb -0.11 -0.74 0.62 0.00 1.01 0.00 0.00 42.92 43.70 3hwk s ASP 100 CO 0.09 -2.53 1.95 0.03 0.21 0.00 0.00 175.17 174.92 3hwk h ARG 101 N -1.50 0.70 -0.69 8.23 3.08 -2.00 -1.73 114.38 120.46 3hwk h ARG 101 Ca -0.45 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 59.57 3hwk h ARG 101 Cb 1.28 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 3hwk h ARG 101 CO 0.48 0.55 0.39 0.77 -1.07 0.00 0.00 179.97 181.10 3hwk h SER 102 N 0.70 0.59 -0.33 7.04 0.02 -1.99 0.12 113.55 119.71 3hwk h SER 102 Ca 0.17 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 3hwk h SER 102 Cb 0.09 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3hwk h SER 102 CO -0.02 0.38 -0.21 -0.03 -1.14 0.00 0.00 176.83 175.81 3hwk h MET 103 N 0.72 0.72 -1.00 3.45 1.85 -1.83 -1.71 114.93 117.13 3hwk h MET 103 Ca 0.31 -0.34 0.12 0.00 -0.61 0.00 0.00 59.70 59.19 3hwk h MET 103 Cb 0.19 -0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.12 3hwk h MET 103 CO -0.18 0.95 0.63 -0.07 -0.40 0.00 0.00 176.91 177.84 3hwk h LEU 104 N 0.49 0.92 -0.15 3.39 3.38 -0.92 -0.82 115.31 121.60 3hwk h LEU 104 Ca 0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hwk h LEU 104 Cb 0.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3hwk h LEU 104 CO 0.06 0.48 0.01 -1.28 0.09 0.00 0.00 178.44 177.80 3hwk h SER 105 N 0.98 0.26 -0.75 -0.43 0.87 -0.63 -1.36 113.55 112.49 3hwk h SER 105 Ca 0.50 -0.29 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3hwk h SER 105 Cb 0.51 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 3hwk h SER 105 CO -0.27 0.48 0.43 0.25 -0.53 0.00 0.00 176.83 177.19 3hwk h LEU 106 N 0.02 0.64 -0.64 2.23 5.85 -0.89 -1.59 115.31 120.93 3hwk h LEU 106 Ca 0.04 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3hwk h LEU 106 Cb 0.34 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3hwk h LEU 106 CO 0.01 0.40 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.05 3hwk h LEU 107 N 0.77 0.66 -0.78 2.25 3.38 -0.98 -2.40 115.31 118.21 3hwk h LEU 107 Ca 0.34 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3hwk h LEU 107 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hwk h LEU 107 CO -0.20 0.98 -0.59 0.00 0.09 0.00 0.00 178.44 178.72 3hwk h ALA 108 N 1.06 0.98 0.00 1.53 0.00 -0.97 -3.21 119.26 118.65 3hwk h ALA 108 Ca 0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hwk h ALA 108 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hwk h ALA 108 CO 0.08 0.73 -0.29 0.87 0.00 0.00 0.00 179.25 180.63 3hwk h LYS 109 N 0.06 0.00 -7.10 0.00 1.57 -1.12 -3.46 116.57 106.51 3hwk h LYS 109 Ca -0.01 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.23 3hwk h LYS 109 Cb 1.05 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.50 3hwk h LYS 109 CO 0.08 0.04 0.50 -0.51 -0.57 0.00 0.00 179.45 178.99 3hwk s LEU 110 N -6.03 3.63 0.36 2.94 1.43 -0.92 -4.90 118.68 115.19 3hwk s LEU 110 Ca 0.05 2.52 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 3hwk s LEU 110 Cb 0.06 -4.59 -0.12 0.00 0.03 0.00 0.00 46.19 41.57 3hwk s LEU 110 CO 0.71 -1.79 1.43 -2.65 0.23 0.00 0.00 176.35 174.27 3hwk n PRO 111 N -1.71 2.49 -0.40 1.29 -0.02 -1.26 -4.88 135.00 130.51 3hwk n PRO 111 Ca 0.15 0.87 0.34 0.00 -2.02 0.00 0.00 63.50 62.84 3hwk n PRO 111 Cb 0.49 -2.56 0.61 0.00 -0.02 0.00 0.00 33.50 32.02 3hwk n PRO 111 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hwk h ASP 112 N 2.95 0.31 0.00 2.55 5.19 -1.92 -3.10 116.42 122.39 3hwk h ASP 112 Ca -0.49 0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 3hwk h ASP 112 Cb 1.26 0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.86 3hwk h ASP 112 CO 0.65 -0.22 -0.38 -0.46 -3.12 0.00 0.00 179.24 175.71 3hwk n ASN 113 N -4.85 1.36 -4.76 6.45 0.23 -1.26 -4.94 115.26 107.49 3hwk n ASN 113 Ca 0.36 -2.77 -0.33 0.00 -0.53 0.00 0.00 54.58 51.32 3hwk n ASN 113 Cb 1.32 -0.36 0.07 0.00 -2.08 0.00 0.00 39.78 38.73 3hwk n ASN 113 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwk n HIS 115 N -2.82 2.19 0.31 0.00 -0.00 -1.26 -4.88 115.22 108.76 3hwk n HIS 115 Ca 0.10 0.32 0.19 0.00 0.46 0.00 0.00 57.72 58.79 3hwk n HIS 115 Cb 0.52 -2.52 1.05 0.00 -0.12 0.00 0.00 29.99 28.93 3hwk n HIS 115 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hwk h PRO 116 N 5.67 0.00 0.00 1.57 0.11 -1.94 0.13 132.00 137.55 3hwk h PRO 116 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3hwk h PRO 116 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3hwk h PRO 116 CO 0.87 0.00 -0.23 0.52 -0.21 0.00 0.00 178.00 178.95 3hwk h MET 117 N 0.00 0.00 -0.16 1.05 2.86 -1.89 -2.25 114.93 114.54 3hwk h MET 117 Ca 0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3hwk h MET 117 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3hwk h MET 117 CO -0.00 0.23 -0.18 -0.44 1.06 0.00 0.00 176.91 177.58 3hwk h ASP 118 N 0.00 0.25 -0.13 1.22 3.32 -1.09 0.70 116.42 120.69 3hwk h ASP 118 Ca -0.00 -0.06 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 3hwk h ASP 118 Cb 0.53 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.02 3hwk h ASP 118 CO 0.03 0.45 -0.73 0.58 -1.72 0.00 0.00 179.24 177.85 3hwk h VAL 119 N 0.24 1.29 -0.35 -1.35 2.07 -1.45 0.07 116.25 116.77 3hwk h VAL 119 Ca 0.04 -1.94 -0.12 0.00 0.82 0.00 0.00 66.70 65.51 3hwk h VAL 119 Cb 0.47 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3hwk h VAL 119 CO 0.03 0.61 -0.25 0.58 0.02 0.00 0.00 177.57 178.57 3hwk h VAL 120 N 0.54 1.29 -0.32 2.57 2.07 -1.23 -0.81 116.25 120.36 3hwk h VAL 120 Ca -0.04 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 3hwk h VAL 120 Cb 1.34 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 3hwk h VAL 120 CO 0.15 0.46 0.19 -0.09 0.02 0.00 0.00 177.57 178.30 3hwk h ARG 121 N 0.57 0.44 -0.28 1.57 2.43 -0.78 -2.31 114.38 116.01 3hwk h ARG 121 Ca 0.07 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3hwk h ARG 121 Cb 0.81 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3hwk h ARG 121 CO 0.07 0.34 -0.32 1.15 -1.51 0.00 0.00 179.97 179.70 3hwk h THR 122 N 0.42 1.30 -0.61 0.20 2.02 -0.92 -2.95 112.91 112.37 3hwk h THR 122 Ca 0.12 -1.50 -0.10 0.00 0.77 0.00 0.00 66.41 65.70 3hwk h THR 122 Cb 0.01 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3hwk h THR 122 CO -0.02 0.48 0.01 0.00 0.37 0.00 0.00 175.52 176.36 3hwk h ALA 123 N 0.69 0.86 -0.37 6.16 0.00 -1.10 -1.27 119.26 124.23 3hwk h ALA 123 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3hwk h ALA 123 Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hwk h ALA 123 CO 0.08 0.67 -0.10 0.82 0.00 0.00 0.00 179.25 180.72 3hwk h ILE 124 N 0.98 1.28 -0.63 0.00 1.08 -1.45 -0.63 117.51 118.14 3hwk h ILE 124 Ca 0.18 -1.18 0.08 0.00 -0.39 0.00 0.00 64.86 63.55 3hwk h ILE 124 Cb 0.55 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.51 3hwk h ILE 124 CO 0.03 0.39 0.29 -1.28 -0.69 0.00 0.00 178.15 176.89 3hwk h SER 125 N 0.51 0.36 -0.50 1.72 0.87 -1.33 -0.61 113.55 114.57 3hwk h SER 125 Ca 0.09 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3hwk h SER 125 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3hwk h SER 125 CO 0.04 0.22 0.24 0.22 -0.53 0.00 0.00 176.83 177.02 3hwk h TYR 126 N 0.52 0.73 -0.99 2.24 3.20 -0.85 -2.27 116.97 119.53 3hwk h TYR 126 Ca 0.30 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.18 3hwk h TYR 126 Cb 0.31 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 3hwk h TYR 126 CO -0.13 0.58 0.65 -0.07 -1.64 0.00 0.00 178.16 177.55 3hwk h LEU 127 N 0.67 1.08 -0.66 2.82 3.38 -0.48 -1.76 115.31 120.36 3hwk h LEU 127 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3hwk h LEU 127 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hwk h LEU 127 CO -0.02 0.73 0.38 1.23 0.09 0.00 0.00 178.44 180.85 3hwk h GLY 128 N 1.25 0.97 1.64 0.83 0.00 -0.65 -1.84 103.07 105.27 3hwk h GLY 128 Ca 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3hwk h GLY 128 CO -0.13 0.41 0.24 0.00 0.00 0.00 0.00 176.54 177.06 3hwk h ALA 129 N 1.19 1.75 -0.00 3.60 0.00 -0.82 -1.72 119.26 123.25 3hwk h ALA 129 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hwk h ALA 129 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hwk h ALA 129 CO -0.04 0.23 -0.07 0.39 0.00 0.00 0.00 179.25 179.76 3hwk n GLU 130 N -4.48 0.45 -3.37 0.00 -0.58 -0.73 -4.81 120.64 107.12 3hwk n GLU 130 Ca 0.02 -0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.24 3hwk n GLU 130 Cb 0.06 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.35 3hwk n GLU 130 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hwk s ASP 131 N -2.61 6.16 0.56 1.62 -1.08 -0.65 -4.92 116.67 115.76 3hwk s ASP 131 Ca 0.26 -0.81 0.37 0.00 -0.52 0.00 0.00 52.55 51.85 3hwk s ASP 131 Cb 0.20 -2.20 1.94 0.00 -1.46 0.00 0.00 42.92 41.40 3hwk s ASP 131 CO 0.49 -0.55 2.14 1.55 0.52 0.00 0.00 175.17 179.32 3hwk h PRO 132 N 8.71 0.00 -0.26 4.34 0.13 -1.87 -0.53 132.00 142.52 3hwk h PRO 132 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3hwk h PRO 132 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hwk h PRO 132 CO 0.78 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.30 3hwk n ASP 133 N -2.87 1.91 -0.26 1.44 8.00 -1.26 -4.60 116.55 118.91 3hwk n ASP 133 Ca -0.02 -1.83 0.01 0.00 0.71 0.00 0.00 54.79 53.66 3hwk n ASP 133 Cb 0.11 -0.17 0.08 0.00 -0.02 0.00 0.00 41.12 41.12 3hwk n ASP 133 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3hwk h GLU 134 N 2.35 -0.01 -0.45 -1.24 4.81 -1.36 -0.71 114.58 117.97 3hwk h GLU 134 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hwk h GLU 134 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3hwk h GLU 134 CO 0.00 -0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 178.02 3hwk n ASP 135 N -5.50 2.86 -4.42 1.04 8.00 -1.26 -4.39 116.55 112.88 3hwk n ASP 135 Ca 0.10 -1.95 -0.44 0.00 0.71 0.00 0.00 54.79 53.21 3hwk n ASP 135 Cb 0.39 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 3hwk n ASP 135 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hwk s ASP 136 N -1.21 6.20 0.51 -2.24 2.15 -0.28 -4.92 116.67 116.88 3hwk s ASP 136 Ca 0.37 -1.16 0.17 0.00 0.43 0.00 0.00 52.55 52.36 3hwk s ASP 136 Cb 0.20 -2.34 1.27 0.00 -0.30 0.00 0.00 42.92 41.75 3hwk s ASP 136 CO 0.27 -1.17 2.11 0.00 -0.17 0.00 0.00 175.17 176.21 3hwk h ALA 137 N 9.26 2.10 0.00 3.66 0.00 -1.87 -0.97 119.26 131.45 3hwk h ALA 137 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hwk h ALA 137 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hwk h ALA 137 CO 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.21 3hwk h ALA 138 N 1.92 1.00 -0.26 0.00 0.00 -1.95 -2.50 119.26 117.47 3hwk h ALA 138 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hwk h ALA 138 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hwk h ALA 138 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3hwk n ALA 139 N -1.86 2.48 -0.33 0.00 0.00 -0.37 -4.62 120.51 115.81 3hwk n ALA 139 Ca 0.01 -0.66 0.15 0.00 0.00 0.00 0.00 53.44 52.94 3hwk n ALA 139 Cb 0.20 -1.02 0.35 0.00 0.00 0.00 0.00 19.45 18.97 3hwk n ALA 139 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hwk h ASN 140 N 2.75 0.56 -0.57 0.00 2.35 -1.55 -1.48 115.58 117.64 3hwk h ASN 140 Ca 0.00 0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3hwk h ASN 140 Cb 0.61 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 3hwk h ASN 140 CO 0.00 0.09 0.06 0.03 -1.65 0.00 0.00 177.43 175.96 3hwk h ARG 141 N 0.54 1.00 -0.41 0.81 3.08 -1.86 0.10 114.38 117.64 3hwk h ARG 141 Ca 0.60 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 60.29 3hwk h ARG 141 Cb 1.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3hwk h ARG 141 CO -0.48 0.94 -0.12 0.00 -1.07 0.00 0.00 179.97 179.24 3hwk h ALA 142 N 1.13 0.56 -0.45 0.04 0.00 -1.64 -2.02 119.26 116.88 3hwk h ALA 142 Ca 0.18 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3hwk h ALA 142 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hwk h ALA 142 CO 0.02 0.46 -0.10 0.87 0.00 0.00 0.00 179.25 180.49 3hwk h LYS 143 N 0.61 0.86 -0.84 0.00 1.57 -1.09 -1.74 116.57 115.94 3hwk h LYS 143 Ca 0.10 -0.32 0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3hwk h LYS 143 Cb 0.66 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 3hwk h LYS 143 CO 0.05 0.96 0.53 0.00 -0.57 0.00 0.00 179.45 180.42 3hwk h ALA 144 N 0.87 1.13 -0.33 3.86 0.00 -0.76 -0.41 119.26 123.63 3hwk h ALA 144 Ca 0.11 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3hwk h ALA 144 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hwk h ALA 144 CO 0.04 0.33 -0.06 1.98 0.00 0.00 0.00 179.25 181.54 3hwk h MET 145 N 1.01 0.62 -0.38 0.00 1.85 -1.18 -1.25 114.93 115.60 3hwk h MET 145 Ca 0.35 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 59.23 3hwk h MET 145 Cb 0.08 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 3hwk h MET 145 CO -0.14 0.78 0.23 0.00 -0.40 0.00 0.00 176.91 177.38 3hwk h ARG 146 N 0.40 0.45 -0.12 0.39 3.08 -1.03 0.26 114.38 117.81 3hwk h ARG 146 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hwk h ARG 146 Cb 0.55 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3hwk h ARG 146 CO 0.03 0.30 0.07 0.52 -1.07 0.00 0.00 179.97 179.82 3hwk h MET 147 N 0.46 0.16 -0.62 0.04 2.86 -1.03 -1.35 114.93 115.45 3hwk h MET 147 Ca 0.15 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 3hwk h MET 147 Cb -0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 3hwk h MET 147 CO -0.07 0.13 0.27 1.98 1.06 0.00 0.00 176.91 180.28 3hwk h MET 148 N 0.14 0.46 -0.19 1.72 1.85 -1.10 -1.71 114.93 116.11 3hwk h MET 148 Ca 0.04 -0.03 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 3hwk h MET 148 Cb 0.01 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 3hwk h MET 148 CO -0.01 0.31 -0.41 0.00 -0.40 0.00 0.00 176.91 176.40 3hwk h ALA 149 N 1.40 0.94 0.00 0.39 0.00 -0.64 -3.34 119.26 118.02 3hwk h ALA 149 Ca 0.30 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3hwk h ALA 149 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hwk h ALA 149 CO -0.27 0.63 -1.75 1.55 0.00 0.00 0.00 179.25 179.41 3hwk n VAL 150 N -4.02 1.00 -0.26 0.00 3.14 -0.54 -4.25 118.33 113.40 3hwk n VAL 150 Ca -0.02 -0.69 0.06 0.00 -2.96 0.00 0.00 64.34 60.73 3hwk n VAL 150 Cb 0.51 -0.52 0.19 0.00 -1.06 0.00 0.00 33.84 32.95 3hwk n VAL 150 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hwk h LEU 151 N 0.00 0.32 -1.30 6.55 3.38 -1.43 -1.03 115.31 121.80 3hwk h LEU 151 Ca -0.22 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3hwk h LEU 151 Cb 1.62 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 3hwk h LEU 151 CO 0.03 0.12 -0.26 -0.65 0.09 0.00 0.00 178.44 177.77 3hwk h PRO 152 N 0.47 0.00 0.20 1.13 0.11 -1.77 0.46 132.00 132.60 3hwk h PRO 152 Ca 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.52 3hwk h PRO 152 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3hwk h PRO 152 CO -0.40 0.26 -0.10 1.15 -0.21 0.00 0.00 178.00 178.71 3hwk h THR 153 N 0.00 0.85 -0.02 -1.15 2.02 -1.42 -1.64 112.91 111.56 3hwk h THR 153 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3hwk h THR 153 Cb 0.67 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3hwk h THR 153 CO 0.03 0.06 0.01 0.40 0.37 0.00 0.00 175.52 176.39 3hwk h ILE 154 N -0.40 1.00 -0.98 3.11 2.04 -1.15 -1.00 117.51 120.13 3hwk h ILE 154 Ca -0.03 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3hwk h ILE 154 Cb 0.31 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3hwk h ILE 154 CO 0.05 0.00 0.64 0.58 0.00 0.00 0.00 178.15 179.42 3hwk h VAL 155 N 0.02 1.16 -0.13 1.67 2.07 -0.92 -1.19 116.25 118.93 3hwk h VAL 155 Ca 0.01 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 3hwk h VAL 155 Cb 0.00 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.59 3hwk h VAL 155 CO -0.01 0.22 -0.17 0.00 0.02 0.00 0.00 177.57 177.64 3hwk h ALA 156 N 1.41 0.20 -0.64 1.67 0.00 -1.16 -1.36 119.26 119.39 3hwk h ALA 156 Ca 0.40 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3hwk h ALA 156 Cb 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 3hwk h ALA 156 CO -0.13 0.11 0.19 0.82 0.00 0.00 0.00 179.25 180.23 3hwk h ILE 157 N -0.04 0.67 -0.27 0.00 2.04 -0.94 -1.09 117.51 117.88 3hwk h ILE 157 Ca 0.02 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.63 3hwk h ILE 157 Cb 0.72 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3hwk h ILE 157 CO 0.04 0.06 -0.34 -0.78 0.00 0.00 0.00 178.15 177.13 3hwk h ASP 158 N 0.33 0.78 -0.37 1.72 3.58 -1.15 -1.28 116.42 120.04 3hwk h ASP 158 Ca 0.34 -0.50 0.05 0.00 0.42 0.00 0.00 57.03 57.34 3hwk h ASP 158 Cb 0.49 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 3hwk h ASP 158 CO -0.38 1.12 0.10 -0.03 -2.88 0.00 0.00 179.24 177.17 3hwk h MET 159 N 0.46 0.24 -0.29 0.28 4.05 -1.06 -2.89 114.93 115.71 3hwk h MET 159 Ca 0.03 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 3hwk h MET 159 Cb 0.93 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 3hwk h MET 159 CO 0.08 0.16 -0.22 0.00 0.23 0.00 0.00 176.91 177.16 3hwk h ARG 160 N 0.24 0.55 -0.70 0.39 3.08 -1.07 -3.00 114.38 113.87 3hwk h ARG 160 Ca 0.17 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.07 3hwk h ARG 160 Cb 0.17 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3hwk h ARG 160 CO -0.20 0.73 0.42 -0.09 -1.07 0.00 0.00 179.97 179.76 3hwk h ARG 161 N 0.49 0.77 0.00 0.04 2.43 -1.09 0.29 114.38 117.31 3hwk h ARG 161 Ca 0.08 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3hwk h ARG 161 Cb 0.64 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3hwk h ARG 161 CO 0.05 0.51 -0.08 0.00 -1.51 0.00 0.00 179.97 178.94 3hwk h ARG 162 N 0.79 0.00 -0.21 0.20 3.08 -1.38 -1.23 114.38 115.64 3hwk h ARG 162 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3hwk h ARG 162 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3hwk h ARG 162 CO -0.14 0.08 0.00 0.54 -1.07 0.00 0.00 179.97 179.38 3hwk n ARG 163 N -3.16 1.84 -1.36 0.04 1.74 -0.67 -4.93 116.66 110.16 3hwk n ARG 163 Ca 0.02 -1.27 -0.06 0.00 -0.77 0.00 0.00 57.85 55.77 3hwk n ARG 163 Cb 0.43 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 3hwk n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hwk n GLY 164 N 1.18 0.68 3.65 -0.13 0.00 -0.46 -5.04 105.19 105.06 3hwk n GLY 164 Ca 0.16 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3hwk n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwk s LEU 165 N -1.38 3.33 0.67 0.99 1.43 0.94 -4.98 118.68 119.68 3hwk s LEU 165 Ca 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 3hwk s LEU 165 Cb 0.00 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 3hwk s LEU 165 CO 0.00 0.19 1.06 -2.16 0.23 0.00 0.00 176.35 175.67 3hwk s PRO 166 N -2.14 3.20 0.52 1.29 0.04 -1.26 -3.29 135.00 133.35 3hwk s PRO 166 Ca 0.23 0.68 -0.23 0.00 0.04 0.00 0.00 61.00 61.72 3hwk s PRO 166 Cb -0.11 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3hwk s PRO 166 CO 0.16 -0.84 1.37 -2.30 0.04 0.00 0.00 177.00 175.43 3hwk n PRO 167 N -2.92 1.84 -4.02 0.56 -0.02 -1.26 -4.92 135.00 124.27 3hwk n PRO 167 Ca 0.07 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 3hwk n PRO 167 Cb 0.55 -2.58 -0.12 0.00 -0.02 0.00 0.00 33.50 31.33 3hwk n PRO 167 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hwk s ILE 168 N -1.26 4.12 0.47 4.25 1.01 -1.26 -5.10 121.20 123.42 3hwk s ILE 168 Ca 0.68 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 3hwk s ILE 168 Cb -0.43 -2.87 -0.08 0.00 0.01 0.00 0.00 42.46 39.09 3hwk s ILE 168 CO 0.52 0.42 1.42 0.00 0.00 0.00 0.00 174.94 177.29 3hwk n ALA 169 N 4.27 1.94 -1.51 9.38 0.00 -1.26 -4.77 120.51 128.55 3hwk n ALA 169 Ca -0.17 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 3hwk n ALA 169 Cb 0.52 -2.39 0.08 0.00 0.00 0.00 0.00 19.45 17.66 3hwk n ALA 169 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hwk n PRO 170 N -0.38 0.76 -4.08 0.00 -0.02 -1.26 -4.82 135.00 125.20 3hwk n PRO 170 Ca 0.06 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 3hwk n PRO 170 Cb 0.42 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.40 3hwk n PRO 170 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hwk s HIS 171 N -1.64 3.02 -1.30 6.00 2.46 -1.26 -5.00 115.29 117.58 3hwk s HIS 171 Ca 0.77 -1.93 0.15 0.00 0.47 0.00 0.00 55.06 54.53 3hwk s HIS 171 Cb -0.36 -1.94 0.73 0.00 -0.13 0.00 0.00 32.58 30.87 3hwk s HIS 171 CO 0.46 -0.83 1.44 -1.13 -2.47 0.00 0.00 174.74 172.21 3hwk n SER 172 N 4.54 0.00 -1.44 9.88 3.41 -1.26 -1.79 113.62 126.96 3hwk n SER 172 Ca -0.17 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.74 3hwk n SER 172 Cb 0.46 -0.35 0.34 0.00 -0.26 0.00 0.00 64.21 64.40 3hwk n SER 172 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hwk n GLY 173 N 0.01 2.53 3.44 5.00 0.00 -1.26 -4.92 105.19 109.99 3hwk n GLY 173 Ca 0.06 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 3hwk n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwk s LEU 174 N -1.26 2.57 1.00 0.99 1.43 -0.74 -5.10 118.68 117.57 3hwk s LEU 174 Ca 0.50 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 3hwk s LEU 174 Cb 0.28 -1.51 0.19 0.00 0.03 0.00 0.00 46.19 45.18 3hwk s LEU 174 CO 0.31 0.32 1.12 -0.83 0.23 0.00 0.00 176.35 177.50 3hwk s GLY 175 N -0.88 1.58 0.17 -3.19 0.00 -1.26 -4.68 107.32 99.05 3hwk s GLY 175 Ca 0.12 -0.54 -0.22 0.00 0.00 0.00 0.00 44.72 44.08 3hwk s GLY 175 CO 0.01 0.10 1.61 -1.82 0.00 0.00 0.00 173.10 173.00 3hwk h TYR 176 N -1.86 -0.78 -0.22 1.90 5.03 -1.97 -0.85 116.97 118.22 3hwk h TYR 176 Ca -0.52 0.05 -0.07 0.00 2.58 0.00 0.00 58.73 60.78 3hwk h TYR 176 Cb 1.32 0.40 -0.00 0.00 1.55 0.00 0.00 36.73 40.00 3hwk h TYR 176 CO -0.09 -0.35 -0.14 0.00 -1.32 0.00 0.00 178.16 176.25 3hwk h ALA 177 N 0.88 0.31 -0.68 1.82 0.00 -1.94 -2.54 119.26 117.11 3hwk h ALA 177 Ca 0.18 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hwk h ALA 177 Cb 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hwk h ALA 177 CO -0.52 0.19 0.44 1.96 0.00 0.00 0.00 179.25 181.31 3hwk h GLN 178 N 0.18 0.84 -0.56 0.00 4.20 -1.84 -2.82 115.11 115.10 3hwk h GLN 178 Ca 0.04 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 3hwk h GLN 178 Cb 0.66 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3hwk h GLN 178 CO 0.04 0.56 0.01 -0.97 -0.67 0.00 0.00 178.83 177.79 3hwk h ASN 179 N 0.87 0.97 -0.72 1.46 -1.24 -1.10 -0.16 115.58 115.67 3hwk h ASN 179 Ca 0.26 -0.30 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 3hwk h ASN 179 Cb -0.03 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.73 3hwk h ASN 179 CO -0.09 1.04 0.24 0.15 -1.29 0.00 0.00 177.43 177.48 3hwk h PHE 180 N 0.88 1.14 -0.45 0.67 3.04 -1.34 0.37 116.94 121.25 3hwk h PHE 180 Ca 0.16 -0.11 -0.12 0.00 3.98 0.00 0.00 57.97 61.88 3hwk h PHE 180 Cb 0.54 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 3hwk h PHE 180 CO 0.04 0.90 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.96 3hwk h LEU 181 N 1.05 0.94 -0.62 0.59 3.38 -1.27 -1.22 115.31 118.16 3hwk h LEU 181 Ca 0.23 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hwk h LEU 181 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hwk h LEU 181 CO -0.01 1.13 0.30 -0.74 0.09 0.00 0.00 178.44 179.21 3hwk h HIS 182 N 0.75 0.89 -0.13 1.13 2.76 -0.64 0.61 115.15 120.52 3hwk h HIS 182 Ca 0.10 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 3hwk h HIS 182 Cb 0.76 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3hwk h HIS 182 CO 0.05 0.67 -0.16 0.52 -1.30 0.00 0.00 177.93 177.72 3hwk h MET 183 N 0.85 0.21 0.04 5.26 2.86 -0.02 0.32 114.93 124.45 3hwk h MET 183 Ca 0.21 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.56 3hwk h MET 183 Cb 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hwk h MET 183 CO -0.03 0.37 -1.04 0.00 1.06 0.00 0.00 176.91 177.28 3hwk n PHE 185 N -3.68 0.00 -0.54 0.00 3.72 0.16 -4.90 117.46 112.21 3hwk n PHE 185 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3hwk n PHE 185 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 3hwk n PHE 185 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hwk n GLY 186 N 2.42 0.75 3.44 1.37 0.00 0.11 -5.02 105.19 108.27 3hwk n GLY 186 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hwk n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwk s GLU 187 N -0.46 0.59 -0.16 1.61 2.12 -1.26 -5.03 118.70 116.12 3hwk s GLU 187 Ca 0.00 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 55.90 3hwk s GLU 187 Cb 0.00 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 3hwk s GLU 187 CO 0.00 -0.11 1.26 0.08 -0.54 0.00 0.00 175.26 175.95 3hwk s VAL 188 N 0.83 4.28 0.86 3.70 1.01 -1.26 -4.16 120.40 125.66 3hwk s VAL 188 Ca -0.04 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.34 3hwk s VAL 188 Cb -0.05 -4.00 0.21 0.00 0.00 0.00 0.00 36.38 32.54 3hwk s VAL 188 CO -0.07 -0.13 0.91 -0.81 0.00 0.00 0.00 175.10 175.01 3hwk n PRO 189 N 6.51 -1.96 -1.38 2.72 -0.04 -1.26 -5.00 135.00 134.59 3hwk n PRO 189 Ca 0.14 -1.44 -0.36 0.00 -0.04 0.00 0.00 63.50 61.81 3hwk n PRO 189 Cb 0.45 -1.17 0.09 0.00 -0.04 0.00 0.00 33.50 32.83 3hwk n PRO 189 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hwk n GLU 190 N -3.68 0.56 -0.34 0.54 0.28 -1.26 -4.69 120.64 112.05 3hwk n GLU 190 Ca 0.12 0.25 0.10 0.00 -0.16 0.00 0.00 57.16 57.47 3hwk n GLU 190 Cb 0.45 -2.30 0.29 0.00 1.43 0.00 0.00 31.44 31.31 3hwk n GLU 190 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3hwk h THR 191 N -0.22 0.84 -0.94 3.84 2.02 -1.99 -0.71 112.91 115.76 3hwk h THR 191 Ca -0.48 -0.30 0.10 0.00 0.77 0.00 0.00 66.41 66.51 3hwk h THR 191 Cb 1.33 -0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.56 3hwk h THR 191 CO 0.48 0.16 0.58 0.00 0.37 0.00 0.00 175.52 177.11 3hwk h ALA 192 N 1.58 1.37 0.20 6.16 0.00 -1.95 0.19 119.26 126.81 3hwk h ALA 192 Ca 0.51 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 3hwk h ALA 192 Cb 0.66 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hwk h ALA 192 CO -0.28 0.23 -0.09 0.28 0.00 0.00 0.00 179.25 179.38 3hwk h VAL 193 N 0.96 0.84 -0.86 0.00 2.07 -1.50 -1.90 116.25 115.86 3hwk h VAL 193 Ca 0.45 -0.95 0.17 0.00 0.82 0.00 0.00 66.70 67.20 3hwk h VAL 193 Cb 0.38 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.39 3hwk h VAL 193 CO -0.24 0.19 0.40 0.58 0.02 0.00 0.00 177.57 178.53 3hwk h VAL 194 N -0.79 0.63 -0.06 2.57 2.07 -1.15 -1.30 116.25 118.22 3hwk h VAL 194 Ca -0.03 -0.18 -0.24 0.00 0.82 0.00 0.00 66.70 67.07 3hwk h VAL 194 Cb 0.51 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3hwk h VAL 194 CO 0.04 0.09 -0.90 -1.28 0.02 0.00 0.00 177.57 175.55 3hwk h SER 195 N 0.52 0.90 -0.69 0.57 0.87 -0.65 -1.83 113.55 113.24 3hwk h SER 195 Ca 0.49 -0.69 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 3hwk h SER 195 Cb 0.80 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3hwk h SER 195 CO -0.43 1.47 0.25 0.00 -0.53 0.00 0.00 176.83 177.59 3hwk h ALA 196 N 0.45 0.90 -0.36 6.23 0.00 -0.84 -1.48 119.26 124.17 3hwk h ALA 196 Ca -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3hwk h ALA 196 Cb 1.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3hwk h ALA 196 CO 0.18 0.55 0.15 0.35 0.00 0.00 0.00 179.25 180.48 3hwk h PHE 197 N 1.00 0.54 -0.90 0.00 3.57 -1.23 -1.46 116.94 118.45 3hwk h PHE 197 Ca 0.23 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hwk h PHE 197 Cb 0.25 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3hwk h PHE 197 CO 0.02 0.48 0.53 1.49 -2.23 0.00 0.00 178.31 178.61 3hwk h GLU 198 N 0.43 1.23 -0.62 1.11 4.81 -1.12 -0.62 114.58 119.80 3hwk h GLU 198 Ca 0.12 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3hwk h GLU 198 Cb 0.17 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3hwk h GLU 198 CO -0.01 0.87 0.29 1.96 -0.73 0.00 0.00 179.01 181.40 3hwk h GLN 199 N 1.25 0.90 -0.62 1.92 4.20 -1.17 -1.90 115.11 119.68 3hwk h GLN 199 Ca 0.32 -0.14 0.08 0.00 0.06 0.00 0.00 58.65 58.98 3hwk h GLN 199 Cb -0.03 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 27.52 3hwk h GLN 199 CO -0.06 0.73 0.28 1.03 -0.67 0.00 0.00 178.83 180.14 3hwk h SER 200 N 0.86 0.35 -0.96 1.46 0.87 -0.53 0.55 113.55 116.16 3hwk h SER 200 Ca 0.21 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3hwk h SER 200 Cb 0.13 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 3hwk h SER 200 CO -0.03 0.21 0.59 0.24 -0.53 0.00 0.00 176.83 177.32 3hwk h MET 201 N 0.51 1.29 -0.40 2.24 2.86 -0.44 -1.63 114.93 119.36 3hwk h MET 201 Ca 0.30 -0.11 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 3hwk h MET 201 Cb 0.31 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hwk h MET 201 CO -0.26 0.89 -0.08 0.82 1.06 0.00 0.00 176.91 179.34 3hwk h ILE 202 N 1.31 1.27 0.00 -1.22 2.04 -0.62 -2.73 117.51 117.57 3hwk h ILE 202 Ca 0.34 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.99 3hwk h ILE 202 Cb -0.08 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3hwk h ILE 202 CO -0.07 0.39 -0.29 -0.07 0.00 0.00 0.00 178.15 178.11 3hwk h LEU 203 N 0.57 0.00 0.00 1.44 3.38 -0.54 -2.73 115.31 117.42 3hwk h LEU 203 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hwk h LEU 203 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hwk h LEU 203 CO 0.04 0.29 -0.53 -1.22 0.09 0.00 0.00 178.44 177.11 3hwk n TYR 204 N -4.08 0.23 -0.29 1.13 4.01 -0.65 -4.60 117.16 112.92 3hwk n TYR 204 Ca -0.02 0.07 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 3hwk n TYR 204 Cb 0.35 -0.44 0.19 0.00 -0.31 0.00 0.00 39.34 39.13 3hwk n TYR 204 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hwk h ALA 205 N 2.79 1.20 -2.47 -0.72 0.00 -1.16 -3.35 119.26 115.54 3hwk h ALA 205 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3hwk h ALA 205 Cb 0.61 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.11 3hwk h ALA 205 CO 0.00 -0.01 -0.11 -2.00 0.00 0.00 0.00 179.25 177.12 3hwk s GLU 206 N -6.01 0.64 -0.38 0.00 2.56 -1.26 -1.84 118.70 112.41 3hwk s GLU 206 Ca -0.12 0.54 0.11 0.00 0.00 0.00 0.00 54.97 55.49 3hwk s GLU 206 Cb 0.20 0.31 0.40 0.00 2.00 0.00 0.00 34.13 37.04 3hwk s GLU 206 CO 0.78 -0.11 1.41 1.58 -0.56 0.00 0.00 175.26 178.35 3hwk n HIS 207 N 2.41 -2.23 -4.81 5.30 -0.00 -1.26 -5.07 115.22 109.56 3hwk n HIS 207 Ca -0.15 -1.88 0.00 0.00 0.46 0.00 0.00 57.72 56.15 3hwk n HIS 207 Cb 0.56 1.53 0.00 0.00 -0.12 0.00 0.00 29.99 31.96 3hwk n HIS 207 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hwk n GLY 208 N -0.88 1.24 2.52 1.57 0.00 -1.26 -3.82 105.19 104.55 3hwk n GLY 208 Ca -0.07 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 3hwk n GLY 208 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hwk n PHE 209 N 3.65 2.24 -1.10 1.61 3.01 -1.26 -4.78 117.46 120.83 3hwk n PHE 209 Ca 0.00 -2.43 -0.29 0.00 1.01 0.00 0.00 57.45 55.74 3hwk n PHE 209 Cb 0.00 -1.57 0.17 0.00 -0.01 0.00 0.00 39.48 38.07 3hwk n PHE 209 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hwk s ASN 210 N 0.15 2.69 0.37 4.37 2.20 -1.25 -4.67 114.94 118.81 3hwk s ASN 210 Ca 0.55 1.33 0.05 0.00 -0.94 0.00 0.00 52.86 53.85 3hwk s ASN 210 Cb 0.27 -2.01 0.73 0.00 -2.00 0.00 0.00 41.25 38.24 3hwk s ASN 210 CO -0.16 -3.11 2.00 0.00 -2.94 0.00 0.00 177.10 172.88 3hwk h ALA 211 N -1.87 1.66 0.01 3.54 0.00 -1.96 0.14 119.26 120.78 3hwk h ALA 211 Ca -0.54 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 3hwk h ALA 211 Cb 1.31 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hwk h ALA 211 CO 0.56 0.27 -0.95 0.66 0.00 0.00 0.00 179.25 179.79 3hwk h SER 212 N 0.75 0.81 -0.71 0.00 4.64 -1.89 -0.48 113.55 116.68 3hwk h SER 212 Ca 0.25 -0.75 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 3hwk h SER 212 Cb 0.08 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 3hwk h SER 212 CO -0.07 1.46 0.37 0.74 -0.87 0.00 0.00 176.83 178.46 3hwk h THR 213 N 0.25 1.23 -0.35 2.95 2.02 -1.79 -1.92 112.91 115.30 3hwk h THR 213 Ca -0.12 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3hwk h THR 213 Cb 1.62 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3hwk h THR 213 CO 0.19 0.26 0.03 0.15 0.37 0.00 0.00 175.52 176.51 3hwk h PHE 214 N 0.98 0.64 -0.57 3.16 3.57 -0.67 -1.38 116.94 122.67 3hwk h PHE 214 Ca 0.25 -0.10 0.11 0.00 3.53 0.00 0.00 57.97 61.76 3hwk h PHE 214 Cb 0.07 -0.17 -0.09 0.00 2.79 0.00 0.00 35.95 38.55 3hwk h PHE 214 CO 0.00 0.68 0.06 0.00 -2.23 0.00 0.00 178.31 176.82 3hwk h ALA 215 N 0.88 0.61 -0.52 2.41 0.00 -1.03 0.14 119.26 121.75 3hwk h ALA 215 Ca 0.10 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3hwk h ALA 215 Cb 0.41 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hwk h ALA 215 CO 0.01 -0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.25 3hwk h ALA 216 N 1.49 1.78 0.10 0.00 0.00 -0.98 -1.44 119.26 120.20 3hwk h ALA 216 Ca 0.30 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 3hwk h ALA 216 Cb 0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hwk h ALA 216 CO -0.43 0.16 -1.21 0.00 0.00 0.00 0.00 179.25 177.76 3hwk h ARG 217 N 0.56 0.21 -0.09 0.00 3.08 -0.06 -1.94 114.38 116.15 3hwk h ARG 217 Ca 0.21 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3hwk h ARG 217 Cb 0.14 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hwk h ARG 217 CO -0.06 1.16 0.05 0.28 -1.07 0.00 0.00 179.97 180.33 3hwk h VAL 218 N 0.06 1.07 -0.22 2.04 2.07 -0.32 0.72 116.25 121.67 3hwk h VAL 218 Ca -0.11 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3hwk h VAL 218 Cb 1.93 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 3hwk h VAL 218 CO 0.18 0.06 -0.02 0.58 0.02 0.00 0.00 177.57 178.40 3hwk h VAL 219 N 0.06 0.82 -0.15 2.57 2.07 -1.32 -2.13 116.25 118.18 3hwk h VAL 219 Ca 0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3hwk h VAL 219 Cb 0.06 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3hwk h VAL 219 CO -0.01 0.01 0.10 0.74 0.02 0.00 0.00 177.57 178.43 3hwk h THR 220 N 0.04 1.03 0.00 2.57 2.02 -1.14 -2.73 112.91 114.71 3hwk h THR 220 Ca 0.10 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3hwk h THR 220 Cb 0.14 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3hwk h THR 220 CO -0.19 0.04 0.00 0.77 0.37 0.00 0.00 175.52 176.50 3hwk h SER 221 N 0.20 0.00 0.01 4.18 4.64 -0.14 0.91 113.55 123.35 3hwk h SER 221 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hwk h SER 221 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hwk h SER 221 CO -0.01 0.00 -0.02 0.35 -0.87 0.00 0.00 176.83 176.28 3hwk n THR 222 N -3.05 0.00 -1.18 2.95 -2.24 -1.03 -3.65 114.28 106.07 3hwk n THR 222 Ca -0.02 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 3hwk n THR 222 Cb 0.12 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3hwk n THR 222 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hwk n GLN 223 N -0.09 -0.54 -1.28 -0.78 6.02 0.32 -5.06 117.38 115.96 3hwk n GLN 223 Ca 0.19 0.66 -0.29 0.00 -0.01 0.00 0.00 57.00 57.56 3hwk n GLN 223 Cb 0.31 -4.43 0.15 0.00 1.02 0.00 0.00 30.24 27.29 3hwk n GLN 223 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hwk s SER 224 N -2.77 3.16 0.59 1.08 0.15 -1.24 -5.03 113.70 109.62 3hwk s SER 224 Ca 0.00 1.24 -0.08 0.00 0.70 0.00 0.00 55.95 57.80 3hwk s SER 224 Cb 0.00 -1.90 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 3hwk s SER 224 CO 0.00 -2.80 0.94 1.51 1.20 0.00 0.00 173.24 174.09 3hwk s ASP 225 N -3.59 5.99 0.48 5.45 -4.77 -1.26 -4.60 116.67 114.38 3hwk s ASP 225 Ca 0.64 1.09 0.15 0.00 -3.30 0.00 0.00 52.55 51.14 3hwk s ASP 225 Cb -0.17 -2.17 1.14 0.00 -1.09 0.00 0.00 42.92 40.63 3hwk s ASP 225 CO 0.56 -0.89 2.07 -0.29 0.70 0.00 0.00 175.17 177.32 3hwk h ILE 226 N -0.18 1.06 -0.32 2.11 2.10 -1.97 -1.17 117.51 119.14 3hwk h ILE 226 Ca -0.45 -0.32 -0.18 0.00 1.08 0.00 0.00 64.86 64.99 3hwk h ILE 226 Cb 1.22 1.17 -0.00 0.00 -1.09 0.00 0.00 36.82 38.12 3hwk h ILE 226 CO 0.62 0.09 -0.49 1.88 -1.08 0.00 0.00 178.15 179.17 3hwk h TYR 227 N 0.00 1.10 -0.66 2.19 0.05 -1.93 -0.91 116.97 116.81 3hwk h TYR 227 Ca -0.00 -0.37 -0.03 0.00 0.05 0.00 0.00 58.73 58.37 3hwk h TYR 227 Cb 0.17 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 3hwk h TYR 227 CO 0.00 1.20 0.28 0.77 -1.05 0.00 0.00 178.16 179.36 3hwk h SER 228 N 0.70 0.88 -0.28 3.88 0.02 -1.71 -0.90 113.55 116.13 3hwk h SER 228 Ca 0.03 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 3hwk h SER 228 Cb 1.10 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 3hwk h SER 228 CO 0.11 0.77 -0.32 0.00 -1.14 0.00 0.00 176.83 176.26 3hwk h ALA 229 N 1.36 0.42 -0.28 3.77 0.00 -1.09 -1.32 119.26 122.11 3hwk h ALA 229 Ca 0.23 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hwk h ALA 229 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hwk h ALA 229 CO -0.02 0.46 0.05 0.28 0.00 0.00 0.00 179.25 180.01 3hwk h VAL 230 N 0.45 1.23 -0.74 0.00 2.07 -0.97 -0.26 116.25 118.02 3hwk h VAL 230 Ca 0.04 -0.77 0.12 0.00 0.82 0.00 0.00 66.70 66.90 3hwk h VAL 230 Cb 0.89 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 3hwk h VAL 230 CO 0.08 0.25 0.35 0.74 0.02 0.00 0.00 177.57 179.01 3hwk h THR 231 N 0.28 0.77 -0.81 2.57 2.02 -1.16 0.37 112.91 116.95 3hwk h THR 231 Ca 0.09 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3hwk h THR 231 Cb 0.33 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3hwk h THR 231 CO 0.00 0.10 0.37 1.23 0.37 0.00 0.00 175.52 177.59 3hwk h GLY 232 N 0.55 1.26 0.87 2.16 0.00 -0.92 -1.78 103.07 105.21 3hwk h GLY 232 Ca 0.39 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3hwk h GLY 232 CO -0.33 0.61 -0.07 0.00 0.00 0.00 0.00 176.54 176.75 3hwk h ALA 233 N 1.24 0.38 -0.87 3.60 0.00 0.66 -1.41 119.26 122.86 3hwk h ALA 233 Ca 0.28 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hwk h ALA 233 Cb 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3hwk h ALA 233 CO -0.03 0.20 0.54 0.82 0.00 0.00 0.00 179.25 180.77 3hwk h ILE 234 N 0.28 1.04 -0.48 0.00 2.04 -0.30 -0.28 117.51 119.81 3hwk h ILE 234 Ca 0.07 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.65 3hwk h ILE 234 Cb 0.55 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3hwk h ILE 234 CO 0.03 0.18 0.18 1.23 0.00 0.00 0.00 178.15 179.77 3hwk h GLY 235 N 0.98 0.64 0.88 5.37 0.00 -0.92 -2.56 103.07 107.45 3hwk h GLY 235 Ca 0.38 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 3hwk h GLY 235 CO -0.18 0.03 -0.24 0.00 0.00 0.00 0.00 176.54 176.15 3hwk h ALA 236 N 1.31 0.33 -0.62 3.60 0.00 -0.34 -3.13 119.26 120.40 3hwk h ALA 236 Ca 0.22 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3hwk h ALA 236 Cb 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hwk h ALA 236 CO -0.22 0.30 0.42 1.25 0.00 0.00 0.00 179.25 181.00 3hwk h LEU 237 N 0.24 0.39 -1.65 0.00 5.85 -0.99 -2.68 115.31 116.47 3hwk h LEU 237 Ca 0.03 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3hwk h LEU 237 Cb 0.80 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3hwk h LEU 237 CO 0.06 0.23 0.32 0.50 -0.34 0.00 0.00 178.44 179.21 3hwk h LYS 238 N 0.44 0.43 -6.88 1.25 3.64 -1.40 0.28 116.57 114.32 3hwk h LYS 238 Ca 0.29 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 59.09 3hwk h LYS 238 Cb 0.55 -0.10 0.11 0.00 -0.41 0.00 0.00 32.23 32.39 3hwk h LYS 238 CO -0.08 0.28 0.67 0.41 -2.27 0.00 0.00 179.45 178.46 3hwk n GLY 239 N -1.50 0.96 0.18 5.01 0.00 -1.01 -4.24 105.19 104.59 3hwk n GLY 239 Ca 0.06 0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.51 3hwk n GLY 239 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hwk h ARG 240 N 2.71 0.00 -0.06 1.61 0.11 -1.90 -0.78 114.38 116.07 3hwk h ARG 240 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 3hwk h ARG 240 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3hwk h ARG 240 CO 0.63 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.98 3hwk n LEU 241 N -2.50 0.56 0.00 0.08 4.77 -1.26 -4.17 117.00 114.48 3hwk n LEU 241 Ca 0.01 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3hwk n LEU 241 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3hwk n LEU 241 CO 0.21 0.12 0.00 1.57 -1.33 0.00 0.00 177.39 177.96 3hwk n HIS 242 N -0.40 0.00 0.53 -1.77 -0.00 -0.32 -4.99 115.22 108.27 3hwk n HIS 242 Ca 0.14 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.44 3hwk n HIS 242 Cb 0.15 0.00 0.45 0.00 -0.12 0.00 0.00 29.99 30.47 3hwk n HIS 242 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hwk n GLY 243 N 1.13 -1.47 0.21 1.57 0.00 0.09 -3.65 105.19 103.06 3hwk n GLY 243 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.09 3hwk n GLY 243 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hwk h GLY 244 N 3.40 0.00 -0.33 -0.02 0.00 -1.57 -3.31 103.07 101.24 3hwk h GLY 244 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.62 3hwk h GLY 244 CO 0.00 0.00 0.60 0.00 0.00 0.00 0.00 176.54 177.14 3hwk h ALA 245 N 1.76 1.94 -0.10 3.60 0.00 -1.72 -0.62 119.26 124.11 3hwk h ALA 245 Ca -0.00 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hwk h ALA 245 Cb 0.42 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3hwk h ALA 245 CO 0.03 -0.47 -0.18 -2.95 0.00 0.00 0.00 179.25 175.69 3hwk h ASN 246 N 0.44 -0.55 -0.16 0.00 7.08 -1.83 -0.83 115.58 119.73 3hwk h ASN 246 Ca 0.68 0.09 0.04 0.00 -3.08 0.00 0.00 56.30 54.03 3hwk h ASN 246 Cb 1.48 0.25 -0.07 0.00 -2.08 0.00 0.00 38.32 37.91 3hwk h ASN 246 CO -0.51 -0.23 -0.51 -0.33 -2.08 0.00 0.00 177.43 173.77 3hwk h GLU 247 N -0.24 -0.52 -0.78 4.14 5.08 -1.38 -3.02 114.58 117.85 3hwk h GLU 247 Ca 0.09 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3hwk h GLU 247 Cb 0.37 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3hwk h GLU 247 CO -0.24 -0.35 0.51 0.00 -1.00 0.00 0.00 179.01 177.93 3hwk h ALA 248 N -0.13 1.48 -0.90 3.43 0.00 -1.21 -0.21 119.26 121.70 3hwk h ALA 248 Ca 0.05 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3hwk h ALA 248 Cb 0.66 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 3hwk h ALA 248 CO -0.44 0.47 0.54 0.28 0.00 0.00 0.00 179.25 180.10 3hwk h VAL 249 N 1.02 0.91 0.08 0.00 2.07 -1.04 -0.97 116.25 118.32 3hwk h VAL 249 Ca 0.29 -0.30 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 3hwk h VAL 249 Cb -0.07 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 3hwk h VAL 249 CO -0.07 0.16 -1.13 -0.03 0.02 0.00 0.00 177.57 176.51 3hwk h MET 250 N 0.87 0.18 0.43 1.57 -1.53 -1.02 -0.91 114.93 114.52 3hwk h MET 250 Ca 0.44 -0.29 -0.02 0.00 -3.44 0.00 0.00 59.70 56.39 3hwk h MET 250 Cb 0.43 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.59 3hwk h MET 250 CO -0.26 1.13 -0.20 0.45 0.14 0.00 0.00 176.91 178.16 3hwk h HIS 251 N 0.05 -0.53 -0.80 1.39 3.86 -1.13 -0.85 115.15 117.14 3hwk h HIS 251 Ca -0.09 -0.01 0.13 0.00 -1.16 0.00 0.00 60.37 59.24 3hwk h HIS 251 Cb 1.87 0.18 -0.06 0.00 1.06 0.00 0.00 27.41 30.46 3hwk h HIS 251 CO 0.04 -0.31 0.53 -0.44 0.86 0.00 0.00 177.93 178.60 3hwk h ASP 252 N -0.60 0.56 -0.39 2.45 3.32 -1.15 -0.83 116.42 119.78 3hwk h ASP 252 Ca -0.06 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 3hwk h ASP 252 Cb 0.45 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3hwk h ASP 252 CO 0.10 0.30 -0.31 0.24 -1.72 0.00 0.00 179.24 177.85 3hwk h MET 253 N 0.60 0.92 -0.59 3.56 2.86 -0.83 -2.66 114.93 118.80 3hwk h MET 253 Ca 0.39 -0.44 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3hwk h MET 253 Cb 0.66 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 3hwk h MET 253 CO -0.15 1.10 0.09 0.82 1.06 0.00 0.00 176.91 179.82 3hwk h ILE 254 N 0.77 1.25 -0.25 -1.22 2.04 -0.04 -2.13 117.51 117.93 3hwk h ILE 254 Ca 0.08 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.03 3hwk h ILE 254 Cb 0.89 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3hwk h ILE 254 CO 0.08 0.36 -0.25 -0.08 0.00 0.00 0.00 178.15 178.26 3hwk h GLU 255 N 0.90 -0.24 0.33 2.37 4.81 -1.13 -2.92 114.58 118.70 3hwk h GLU 255 Ca 0.18 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3hwk h GLU 255 Cb 0.41 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3hwk h GLU 255 CO 0.01 -0.16 -0.52 0.82 -0.73 0.00 0.00 179.01 178.43 3hwk h ILE 256 N -0.25 0.00 0.00 2.32 5.03 -1.16 -3.45 117.51 120.00 3hwk h ILE 256 Ca 0.14 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.88 3hwk h ILE 256 Cb 0.47 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.26 3hwk h ILE 256 CO -0.40 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 177.68 3hwk n GLY 257 N -1.53 1.23 3.03 5.37 0.00 -0.83 -4.83 105.19 107.64 3hwk n GLY 257 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3hwk n GLY 257 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwk s ASP 258 N -0.04 -0.11 0.39 1.61 2.15 -1.26 -5.04 116.67 114.36 3hwk s ASP 258 Ca 0.00 0.52 0.18 0.00 0.43 0.00 0.00 52.55 53.68 3hwk s ASP 258 Cb 0.00 0.45 1.10 0.00 -0.30 0.00 0.00 42.92 44.16 3hwk s ASP 258 CO 0.00 -0.18 1.74 -0.65 -0.17 0.00 0.00 175.17 175.91 3hwk h PRO 259 N 7.44 0.38 -0.43 4.34 0.11 -1.88 -1.72 132.00 140.25 3hwk h PRO 259 Ca -0.35 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.84 3hwk h PRO 259 Cb 1.15 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3hwk h PRO 259 CO 0.33 0.25 0.30 0.00 -0.21 0.00 0.00 178.00 178.67 3hwk h ALA 260 N 1.65 2.24 -0.42 -0.75 0.00 -1.96 -0.25 119.26 119.78 3hwk h ALA 260 Ca 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3hwk h ALA 260 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hwk h ALA 260 CO -0.35 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 178.64 3hwk n ASN 261 N -4.44 2.71 0.13 0.00 4.13 -0.65 -4.47 115.26 112.67 3hwk n ASN 261 Ca 0.07 -1.93 -0.13 0.00 1.68 0.00 0.00 54.58 54.27 3hwk n ASN 261 Cb 0.42 -0.28 -0.08 0.00 -1.54 0.00 0.00 39.78 38.30 3hwk n ASN 261 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hwk h ALA 262 N 4.11 -0.34 0.02 5.41 0.00 -1.11 -1.56 119.26 125.79 3hwk h ALA 262 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hwk h ALA 262 Cb 0.72 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3hwk h ALA 262 CO 0.00 -0.50 -0.42 0.07 0.00 0.00 0.00 179.25 178.40 3hwk h ARG 263 N -0.73 -0.57 -0.72 0.00 -0.00 -1.78 -2.95 114.38 107.62 3hwk h ARG 263 Ca -0.04 0.04 0.08 0.00 -0.00 0.00 0.00 59.98 60.07 3hwk h ARG 263 Cb 0.49 0.13 -0.07 0.00 -0.00 0.00 0.00 29.97 30.52 3hwk h ARG 263 CO 0.06 -0.38 0.38 1.05 -0.00 0.00 0.00 179.97 181.08 3hwk h GLU 264 N -0.59 0.64 -0.98 0.08 -0.00 -1.84 -2.47 114.58 109.42 3hwk h GLU 264 Ca 0.04 -0.04 0.12 0.00 -0.00 0.00 0.00 59.36 59.48 3hwk h GLU 264 Cb 0.66 -0.14 -0.08 0.00 -0.00 0.00 0.00 28.75 29.18 3hwk h GLU 264 CO -0.30 0.42 0.62 2.35 -0.00 0.00 0.00 179.01 182.10 3hwk h TRP 265 N 0.66 1.10 0.00 2.06 7.01 -1.11 -2.62 115.95 123.05 3hwk h TRP 265 Ca 0.35 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.34 3hwk h TRP 265 Cb 0.32 -0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 27.03 3hwk h TRP 265 CO -0.09 0.44 -0.16 1.25 -2.79 0.00 0.00 178.44 177.10 3hwk h LEU 266 N 0.96 0.00 0.55 0.65 5.85 -1.35 -3.25 115.31 118.72 3hwk h LEU 266 Ca 0.48 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 3hwk h LEU 266 Cb 0.50 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hwk h LEU 266 CO -0.25 0.16 -0.36 0.03 -0.34 0.00 0.00 178.44 177.67 3hwk h ARG 267 N 0.00 -0.85 -0.01 1.25 -0.00 -1.45 -3.03 114.38 110.30 3hwk h ARG 267 Ca -0.00 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.54 3hwk h ARG 267 Cb 1.02 0.19 -0.00 0.00 0.00 0.00 0.00 29.97 31.18 3hwk h ARG 267 CO 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 179.97 179.44 3hwk h ALA 268 N -0.53 1.40 0.05 0.04 0.00 -1.63 -2.80 119.26 115.79 3hwk h ALA 268 Ca -0.06 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.53 3hwk h ALA 268 Cb 0.72 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hwk h ALA 268 CO 0.05 -0.02 -1.77 -0.22 0.00 0.00 0.00 179.25 177.29 3hwk h LYS 269 N 0.00 0.10 -0.01 0.00 3.64 -1.64 -3.20 116.57 115.46 3hwk h LYS 269 Ca 0.01 -0.17 -0.26 0.00 -1.27 0.00 0.00 60.65 58.96 3hwk h LYS 269 Cb 0.04 0.06 0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3hwk h LYS 269 CO -0.00 0.77 -1.02 -0.07 -2.27 0.00 0.00 179.45 176.86 3hwk h LEU 270 N 0.03 0.85 -0.85 5.20 3.38 -1.41 -3.04 115.31 119.47 3hwk h LEU 270 Ca -0.32 -0.68 0.20 0.00 0.09 0.00 0.00 57.88 57.17 3hwk h LEU 270 Cb 2.02 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 42.39 3hwk h LEU 270 CO 0.09 1.48 0.33 0.00 0.09 0.00 0.00 178.44 180.43 3hwk h ALA 271 N 0.47 1.29 0.00 1.53 0.00 -1.64 0.61 119.26 121.51 3hwk h ALA 271 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 271 Cb 1.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hwk h ALA 271 CO 0.20 -0.32 0.00 2.89 0.00 0.00 0.00 179.25 182.01 3hwk n ARG 272 N -5.07 0.47 -4.19 0.00 0.00 -1.15 -4.90 116.66 101.81 3hwk n ARG 272 Ca 0.20 0.05 -0.30 0.00 -0.00 0.00 0.00 57.85 57.79 3hwk n ARG 272 Cb 0.59 -1.50 -0.07 0.00 -0.00 0.00 0.00 32.46 31.48 3hwk n ARG 272 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3hwk n LYS 273 N -1.12 -1.57 -4.01 2.89 5.02 0.20 -4.99 118.16 114.59 3hwk n LYS 273 Ca 0.12 0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 56.26 3hwk n LYS 273 Cb 0.10 -3.79 -0.06 0.00 -0.02 0.00 0.00 35.03 31.26 3hwk n LYS 273 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hwk s GLU 274 N -7.13 3.24 0.16 1.97 -1.05 -1.21 -5.08 118.70 109.60 3hwk s GLU 274 Ca 0.04 -0.40 -0.32 0.00 -0.15 0.00 0.00 54.97 54.14 3hwk s GLU 274 Cb -0.02 -2.97 -0.10 0.00 -0.44 0.00 0.00 34.13 30.60 3hwk s GLU 274 CO 0.96 0.66 1.57 0.21 0.95 0.00 0.00 175.26 179.62 3hwk s LYS 275 N -1.80 4.21 0.06 -4.83 2.20 -1.26 -4.79 119.74 113.54 3hwk s LYS 275 Ca 0.24 2.37 -0.17 0.00 -0.36 0.00 0.00 55.97 58.05 3hwk s LYS 275 Cb -0.12 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.97 3hwk s LYS 275 CO 0.16 -0.61 0.52 0.42 -0.36 0.00 0.00 175.35 175.47 3hwk s ILE 276 N 1.18 4.85 -0.12 5.43 1.09 -1.26 -5.04 121.20 127.33 3hwk s ILE 276 Ca 0.70 1.03 -0.20 0.00 -1.10 0.00 0.00 60.65 61.08 3hwk s ILE 276 Cb -0.44 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 3hwk s ILE 276 CO 0.31 0.51 0.58 -0.04 -0.10 0.00 0.00 174.94 176.20 3hwk s MET 277 N -1.24 4.34 0.00 2.79 -1.94 -1.26 -4.13 119.30 117.86 3hwk s MET 277 Ca 0.29 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 3hwk s MET 277 Cb -0.18 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.19 3hwk s MET 277 CO 0.17 0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.64 3hwk n GLY 278 N 3.33 0.95 2.92 -0.03 0.00 -1.26 -4.75 105.19 106.36 3hwk n GLY 278 Ca -0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3hwk n GLY 278 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwk s PHE 279 N -2.51 -0.12 0.03 1.61 0.40 -1.26 -2.83 117.98 113.30 3hwk s PHE 279 Ca 0.00 0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 3hwk s PHE 279 Cb 0.00 -0.06 0.00 0.00 0.51 0.00 0.00 43.02 43.47 3hwk s PHE 279 CO 0.00 -0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.21 3hwk n GLY 280 N 3.80 -1.12 3.49 4.36 0.00 0.12 -4.86 105.19 110.98 3hwk n GLY 280 Ca -0.22 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 3hwk n GLY 280 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwk s HIS 281 N -0.23 -0.51 0.37 1.61 2.46 -1.23 -4.80 115.29 112.97 3hwk s HIS 281 Ca 0.00 0.58 0.10 0.00 0.47 0.00 0.00 55.06 56.22 3hwk s HIS 281 Cb 0.00 0.49 0.72 0.00 -0.13 0.00 0.00 32.58 33.67 3hwk s HIS 281 CO 0.00 -0.64 1.85 -0.09 -2.47 0.00 0.00 174.74 173.40 3hwk h ARG 282 N 2.38 0.14 0.00 2.88 9.65 -2.02 -3.40 114.38 124.01 3hwk h ARG 282 Ca -0.27 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 3hwk h ARG 282 Cb 1.22 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3hwk h ARG 282 CO 0.36 0.40 0.00 0.28 2.80 0.00 0.00 179.97 183.81 3hwk n VAL 283 N -4.17 0.00 -1.69 0.20 0.31 -1.26 -4.98 118.33 106.74 3hwk n VAL 283 Ca -0.01 0.48 -0.44 0.00 -0.01 0.00 0.00 64.34 64.36 3hwk n VAL 283 Cb 0.35 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 31.77 3hwk n VAL 283 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3hwk n TYR 284 N -2.50 2.53 -0.03 3.52 4.01 -1.26 -4.85 117.16 118.58 3hwk n TYR 284 Ca 0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 3hwk n TYR 284 Cb 0.00 -2.67 -0.05 0.00 -0.31 0.00 0.00 39.34 36.31 3hwk n TYR 284 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3hwk n ARG 285 N 4.98 2.40 -0.48 -0.72 1.85 -1.26 -3.54 116.66 119.89 3hwk n ARG 285 Ca 0.18 -0.02 0.08 0.00 -1.00 0.00 0.00 57.85 57.10 3hwk n ARG 285 Cb 0.34 -1.17 0.29 0.00 -1.05 0.00 0.00 32.46 30.87 3hwk n ARG 285 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3hwk n HIS 286 N -2.14 1.14 0.00 2.89 8.25 -1.26 -4.84 115.22 119.25 3hwk n HIS 286 Ca -0.09 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 3hwk n HIS 286 Cb 0.60 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3hwk n HIS 286 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwk n GLY 287 N 0.56 3.50 3.67 -1.41 0.00 -1.26 -5.04 105.19 105.20 3hwk n GLY 287 Ca 0.21 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 3hwk n GLY 287 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hwk s ASP 288 N 0.00 6.53 0.40 1.61 3.68 -1.26 -4.77 116.67 122.86 3hwk s ASP 288 Ca 0.00 0.63 0.12 0.00 2.13 0.00 0.00 52.55 55.43 3hwk s ASP 288 Cb 0.00 -2.27 0.82 0.00 -1.45 0.00 0.00 42.92 40.02 3hwk s ASP 288 CO 0.00 -0.14 1.90 0.77 0.13 0.00 0.00 175.17 177.83 3hwk h SER 289 N 7.40 0.09 1.35 -0.34 4.64 -1.95 -2.80 113.55 121.94 3hwk h SER 289 Ca -0.35 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3hwk h SER 289 Cb 1.16 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hwk h SER 289 CO 0.73 0.33 0.00 0.03 -0.87 0.00 0.00 176.83 177.05 3hwk h ARG 290 N 0.08 0.00 0.29 4.77 3.08 -1.93 -3.37 114.38 117.30 3hwk h ARG 290 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hwk h ARG 290 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3hwk h ARG 290 CO 0.03 0.00 -0.15 0.28 -1.07 0.00 0.00 179.97 179.06 3hwk h VAL 291 N 0.00 0.69 -0.54 2.04 2.07 -1.85 -3.00 116.25 115.66 3hwk h VAL 291 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3hwk h VAL 291 Cb 0.68 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3hwk h VAL 291 CO 0.00 0.00 0.36 -0.65 0.02 0.00 0.00 177.57 177.30 3hwk h PRO 292 N -0.41 0.66 -0.03 1.57 0.11 -1.79 0.29 132.00 132.39 3hwk h PRO 292 Ca -0.04 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.04 3hwk h PRO 292 Cb 0.32 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3hwk h PRO 292 CO 0.06 0.44 -0.01 1.15 -0.21 0.00 0.00 178.00 179.43 3hwk h THR 293 N 0.68 0.97 -0.07 -1.15 2.02 -1.81 -2.33 112.91 111.22 3hwk h THR 293 Ca 0.21 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.25 3hwk h THR 293 Cb 0.00 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3hwk h THR 293 CO -0.05 0.00 -0.57 -0.03 0.37 0.00 0.00 175.52 175.24 3hwk h MET 294 N -0.00 0.23 -0.75 6.66 -1.53 -0.92 -1.23 114.93 117.40 3hwk h MET 294 Ca 0.02 -0.15 -0.05 0.00 -3.44 0.00 0.00 59.70 56.08 3hwk h MET 294 Cb 0.02 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.06 3hwk h MET 294 CO -0.03 0.73 0.28 0.87 0.14 0.00 0.00 176.91 178.90 3hwk h LYS 295 N 0.18 1.12 -0.36 0.39 1.57 -0.48 0.30 116.57 119.30 3hwk h LYS 295 Ca -0.00 -0.21 -0.16 0.00 -1.87 0.00 0.00 60.65 58.41 3hwk h LYS 295 Cb 1.05 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3hwk h LYS 295 CO 0.09 0.92 -0.41 0.00 -0.57 0.00 0.00 179.45 179.47 3hwk h ARG 296 N 1.09 0.91 -0.59 3.15 3.08 -1.06 -1.89 114.38 119.08 3hwk h ARG 296 Ca 0.25 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.82 3hwk h ARG 296 Cb 0.23 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 3hwk h ARG 296 CO -0.02 1.15 0.36 0.00 -1.07 0.00 0.00 179.97 180.40 3hwk h ALA 297 N 0.75 0.76 -0.27 0.04 0.00 -0.66 -0.49 119.26 119.39 3hwk h ALA 297 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 297 Cb 1.01 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3hwk h ALA 297 CO 0.10 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 180.68 3hwk h LEU 298 N 0.71 -0.14 -0.83 0.00 5.85 -0.31 -1.22 115.31 119.38 3hwk h LEU 298 Ca 0.23 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3hwk h LEU 298 Cb 0.01 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3hwk h LEU 298 CO -0.10 -0.04 0.49 -0.33 -0.34 0.00 0.00 178.44 178.12 3hwk h GLU 299 N 0.06 1.13 -0.65 1.25 5.08 -0.84 0.54 114.58 121.15 3hwk h GLU 299 Ca 0.13 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3hwk h GLU 299 Cb 0.17 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3hwk h GLU 299 CO -0.23 0.81 0.30 0.00 -1.00 0.00 0.00 179.01 178.89 3hwk h ARG 300 N 1.14 0.94 -0.33 2.33 3.08 -0.74 -2.06 114.38 118.74 3hwk h ARG 300 Ca 0.29 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3hwk h ARG 300 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3hwk h ARG 300 CO -0.05 0.76 -0.10 0.28 -1.07 0.00 0.00 179.97 179.79 3hwk h VAL 301 N 0.90 1.28 -0.99 2.04 2.07 -0.59 -3.07 116.25 117.89 3hwk h VAL 301 Ca 0.22 -1.16 0.18 0.00 0.82 0.00 0.00 66.70 66.75 3hwk h VAL 301 Cb 0.13 1.36 -0.10 0.00 -1.52 0.00 0.00 31.29 31.16 3hwk h VAL 301 CO -0.03 0.38 0.62 1.23 0.02 0.00 0.00 177.57 179.79 3hwk h GLY 302 N 0.42 1.64 1.82 2.17 0.00 0.38 0.42 103.07 109.92 3hwk h GLY 302 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hwk h GLY 302 CO 0.04 -0.00 -0.16 -0.91 0.00 0.00 0.00 176.54 175.50 3hwk h THR 303 N 0.77 0.00 0.00 4.70 1.35 -1.38 0.30 112.91 118.65 3hwk h THR 303 Ca 0.55 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3hwk h THR 303 Cb 0.84 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3hwk h THR 303 CO -0.33 0.00 -1.23 0.52 -0.25 0.00 0.00 175.52 174.23 3hwk n VAL 304 N -2.66 0.18 -1.93 6.82 0.31 -0.25 -4.46 118.33 116.34 3hwk n VAL 304 Ca 0.04 -0.32 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 3hwk n VAL 304 Cb 0.49 0.16 0.13 0.00 -0.91 0.00 0.00 33.84 33.70 3hwk n VAL 304 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hwk n ARG 305 N -2.08 1.77 -3.80 5.55 5.12 0.13 -5.00 116.66 118.35 3hwk n ARG 305 Ca 0.01 -3.29 -0.27 0.00 -1.93 0.00 0.00 57.85 52.37 3hwk n ARG 305 Cb 0.47 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.32 3hwk n ARG 305 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3hwk n ASP 306 N -0.72 -4.26 -1.52 0.55 2.03 -1.11 -4.90 116.55 106.62 3hwk n ASP 306 Ca 0.21 -0.74 -0.05 0.00 0.52 0.00 0.00 54.79 54.74 3hwk n ASP 306 Cb 0.84 -4.17 0.25 0.00 -0.72 0.00 0.00 41.12 37.31 3hwk n ASP 306 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hwk n GLY 307 N -1.71 4.25 0.21 0.27 0.00 0.10 -4.66 105.19 103.67 3hwk n GLY 307 Ca -0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 3hwk n GLY 307 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hwk h GLN 308 N 1.72 0.38 -0.84 1.61 5.75 -1.91 -2.06 115.11 119.76 3hwk h GLN 308 Ca 0.24 -0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.90 3hwk h GLN 308 Cb 2.00 -0.09 -0.16 0.00 1.07 0.00 0.00 27.48 30.31 3hwk h GLN 308 CO 0.56 0.25 -0.14 -0.09 -2.65 0.00 0.00 178.83 176.76 3hwk h ARG 309 N 0.39 0.02 -0.01 1.69 2.43 -1.96 0.35 114.38 117.28 3hwk h ARG 309 Ca 0.26 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 3hwk h ARG 309 Cb 0.28 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3hwk h ARG 309 CO -0.25 0.01 -0.77 -1.49 -1.51 0.00 0.00 179.97 175.96 3hwk h TRP 310 N 0.02 0.19 -0.22 2.20 4.06 -1.76 -1.81 115.95 118.63 3hwk h TRP 310 Ca 0.42 -0.09 -0.03 0.00 2.06 0.00 0.00 58.89 61.26 3hwk h TRP 310 Cb 0.70 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 3hwk h TRP 310 CO -0.60 0.84 0.03 -0.07 -3.56 0.00 0.00 178.44 175.09 3hwk h LEU 311 N 0.08 0.35 -0.74 -4.49 3.38 -0.72 -0.79 115.31 112.39 3hwk h LEU 311 Ca -0.02 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.73 3hwk h LEU 311 Cb 1.34 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3hwk h LEU 311 CO 0.11 0.53 0.44 0.44 0.09 0.00 0.00 178.44 180.06 3hwk h ASP 312 N 0.16 0.70 0.68 -0.43 3.32 -0.25 0.14 116.42 120.74 3hwk h ASP 312 Ca 0.07 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3hwk h ASP 312 Cb 0.34 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3hwk h ASP 312 CO 0.01 0.46 -0.36 0.40 -1.72 0.00 0.00 179.24 178.02 3hwk h ILE 313 N 0.83 0.96 0.22 0.35 2.04 -1.29 -1.33 117.51 119.30 3hwk h ILE 313 Ca 0.32 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 3hwk h ILE 313 Cb 0.13 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3hwk h ILE 313 CO -0.16 0.36 -0.11 0.22 0.00 0.00 0.00 178.15 178.46 3hwk h TYR 314 N 0.00 -0.28 -0.72 1.37 5.03 0.38 -2.52 116.97 120.22 3hwk h TYR 314 Ca -0.00 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 3hwk h TYR 314 Cb 0.80 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.14 3hwk h TYR 314 CO 0.00 0.03 0.30 0.37 -1.32 0.00 0.00 178.16 177.54 3hwk h GLN 315 N -0.60 1.08 -0.06 1.82 4.15 -0.59 -2.12 115.11 118.78 3hwk h GLN 315 Ca -0.03 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.10 3hwk h GLN 315 Cb 0.44 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3hwk h GLN 315 CO 0.05 0.88 -0.35 0.28 -1.93 0.00 0.00 178.83 177.76 3hwk h VAL 316 N 1.03 1.43 0.00 2.39 2.07 -1.35 -3.20 116.25 118.63 3hwk h VAL 316 Ca 0.24 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3hwk h VAL 316 Cb 0.20 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3hwk h VAL 316 CO -0.02 0.51 0.00 -0.11 0.02 0.00 0.00 177.57 177.97 3hwk n LEU 317 N -4.40 0.02 0.21 2.57 7.94 -0.95 -3.70 117.00 118.69 3hwk n LEU 317 Ca -0.09 0.50 -0.13 0.00 -1.11 0.00 0.00 56.01 55.19 3hwk n LEU 317 Cb 0.52 -0.50 -0.07 0.00 0.53 0.00 0.00 43.42 43.90 3hwk n LEU 317 CO 0.42 -0.17 0.47 0.00 -1.11 0.00 0.00 177.39 177.00 3hwk h ALA 318 N 2.66 -0.56 -0.10 1.96 0.00 -1.37 -3.32 119.26 118.54 3hwk h ALA 318 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3hwk h ALA 318 Cb 0.34 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3hwk h ALA 318 CO 0.00 -0.63 -0.26 0.00 0.00 0.00 0.00 179.25 178.36 3hwk h ALA 319 N -0.57 -0.27 -1.00 0.00 0.00 -1.71 -3.25 119.26 112.46 3hwk h ALA 319 Ca -0.06 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.09 3hwk h ALA 319 Cb 0.56 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 3hwk h ALA 319 CO 0.09 -0.73 0.62 1.05 0.00 0.00 0.00 179.25 180.28 3hwk h GLU 320 N -0.34 0.61 0.00 0.00 4.11 -1.70 -0.64 114.58 116.62 3hwk h GLU 320 Ca 0.09 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.38 3hwk h GLU 320 Cb 0.48 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3hwk h GLU 320 CO -0.29 0.41 -0.52 0.52 0.07 0.00 0.00 179.01 179.19 3hwk h MET 321 N 0.63 0.00 0.59 1.06 2.86 -1.67 -2.68 114.93 115.73 3hwk h MET 321 Ca 0.58 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.19 3hwk h MET 321 Cb 1.09 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.76 3hwk h MET 321 CO -0.37 0.52 -0.28 0.00 1.06 0.00 0.00 176.91 177.84 3hwk h ALA 322 N 1.48 -1.15 -0.98 6.32 0.00 -1.22 -1.56 119.26 122.15 3hwk h ALA 322 Ca -0.01 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.06 3hwk h ALA 322 Cb 1.29 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 19.23 3hwk h ALA 322 CO 0.07 -1.10 0.42 0.77 0.00 0.00 0.00 179.25 179.41 3hwk h SER 323 N -0.83 0.22 -0.02 0.00 0.02 -1.56 0.69 113.55 112.06 3hwk h SER 323 Ca -0.08 0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3hwk h SER 323 Cb 0.61 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3hwk h SER 323 CO 0.13 -0.26 -0.16 0.00 -1.14 0.00 0.00 176.83 175.40 3hwk h ALA 324 N 1.90 0.04 0.00 3.77 0.00 -1.42 -3.43 119.26 120.12 3hwk h ALA 324 Ca 0.71 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hwk h ALA 324 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 3hwk h ALA 324 CO -0.71 0.01 -0.24 0.25 0.00 0.00 0.00 179.25 178.57 3hwk n THR 325 N -4.59 0.00 -1.18 0.00 -2.24 -0.59 -5.01 114.28 100.67 3hwk n THR 325 Ca -0.09 -0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.55 3hwk n THR 325 Cb 0.44 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3hwk n THR 325 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwk n GLY 326 N 0.74 0.82 3.67 3.38 0.00 0.24 -5.01 105.19 109.03 3hwk n GLY 326 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3hwk n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwk s ILE 327 N -2.09 5.16 0.49 -0.61 1.01 -1.26 -4.97 121.20 118.94 3hwk s ILE 327 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 3hwk s ILE 327 Cb 0.00 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3hwk s ILE 327 CO 0.00 0.23 0.74 -0.76 0.00 0.00 0.00 174.94 175.15 3hwk s LEU 328 N 1.37 3.53 0.29 2.97 1.43 -1.26 -4.20 118.68 122.81 3hwk s LEU 328 Ca 0.21 0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 53.45 3hwk s LEU 328 Cb -0.15 -3.29 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 3hwk s LEU 328 CO 0.09 -0.80 1.41 -2.84 0.23 0.00 0.00 176.35 174.45 3hwk s PRO 329 N -4.68 4.27 0.54 1.29 0.02 -1.26 -0.70 135.00 134.47 3hwk s PRO 329 Ca 0.50 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.92 3hwk s PRO 329 Cb -0.10 -3.07 0.08 0.00 0.02 0.00 0.00 34.50 31.42 3hwk s PRO 329 CO 0.40 -0.38 0.64 0.27 -0.33 0.00 0.00 177.00 177.60 3hwk n ASN 330 N 1.62 2.21 -0.04 2.53 6.94 -1.13 -4.01 115.26 123.38 3hwk n ASN 330 Ca 0.04 -2.56 0.02 0.00 -0.02 0.00 0.00 54.58 52.06 3hwk n ASN 330 Cb 0.40 -0.29 0.36 0.00 -2.36 0.00 0.00 39.78 37.90 3hwk n ASN 330 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3hwk h LEU 331 N 0.00 0.54 -2.19 -4.53 5.85 -1.92 -1.88 115.31 111.18 3hwk h LEU 331 Ca -0.28 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hwk h LEU 331 Cb 1.19 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3hwk h LEU 331 CO 0.41 0.45 -0.01 0.44 -0.34 0.00 0.00 178.44 179.39 3hwk h ASP 332 N 0.62 0.00 -0.10 1.25 3.32 -1.95 -2.93 116.42 116.63 3hwk h ASP 332 Ca 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3hwk h ASP 332 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hwk h ASP 332 CO -0.03 0.01 -0.19 0.15 -1.72 0.00 0.00 179.24 177.47 3hwk h PHE 333 N 0.00 0.37 0.00 4.55 3.57 -1.51 -3.00 116.94 120.92 3hwk h PHE 333 Ca -0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3hwk h PHE 333 Cb 0.27 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3hwk h PHE 333 CO 0.00 0.79 -0.45 -1.00 -2.23 0.00 0.00 178.31 175.42 3hwk h PRO 334 N -0.15 0.00 -0.36 6.41 0.13 -1.71 -3.36 132.00 132.96 3hwk h PRO 334 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 3hwk h PRO 334 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3hwk h PRO 334 CO 0.04 0.00 -0.04 1.15 -0.23 0.00 0.00 178.00 178.92 3hwk h THR 335 N 0.00 1.27 -0.10 1.56 2.02 -1.54 -2.95 112.91 113.17 3hwk h THR 335 Ca 0.00 -1.07 0.01 0.00 0.77 0.00 0.00 66.41 66.12 3hwk h THR 335 Cb 0.85 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3hwk h THR 335 CO 0.00 0.35 -0.10 1.23 0.37 0.00 0.00 175.52 177.37 3hwk h GLY 336 N 0.46 -1.91 2.00 2.16 0.00 -1.68 0.42 103.07 104.52 3hwk h GLY 336 Ca 0.10 0.88 -0.02 0.00 0.00 0.00 0.00 47.33 48.28 3hwk h GLY 336 CO 0.03 -0.68 -0.11 -0.56 0.00 0.00 0.00 176.54 175.22 3hwk h PRO 337 N -0.06 0.00 -0.05 4.80 0.13 -1.78 -1.23 132.00 133.82 3hwk h PRO 337 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 3hwk h PRO 337 Cb 0.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 3hwk h PRO 337 CO -0.12 0.11 0.00 0.00 -0.23 0.00 0.00 178.00 177.76 3hwk h ALA 338 N 1.89 0.07 -0.47 -0.56 0.00 -1.02 0.30 119.26 119.46 3hwk h ALA 338 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 338 Cb 0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hwk h ALA 338 CO 0.01 -0.26 0.29 1.88 0.00 0.00 0.00 179.25 181.17 3hwk h TYR 339 N -0.19 0.62 -0.09 0.00 0.05 0.14 0.22 116.97 117.73 3hwk h TYR 339 Ca 0.02 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.83 3hwk h TYR 339 Cb 0.32 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 3hwk h TYR 339 CO 0.03 0.44 -0.14 -0.92 -1.05 0.00 0.00 178.16 176.51 3hwk h TYR 340 N 0.63 -0.36 -0.05 4.88 3.20 -1.14 -2.23 116.97 121.90 3hwk h TYR 340 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3hwk h TYR 340 Cb -0.01 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3hwk h TYR 340 CO -0.03 -0.21 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.96 3hwk h LEU 341 N -0.19 0.08 -2.22 2.82 3.38 0.02 -1.52 115.31 117.67 3hwk h LEU 341 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hwk h LEU 341 Cb 0.30 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hwk h LEU 341 CO -0.20 0.33 -0.05 0.24 0.09 0.00 0.00 178.44 178.86 3hwk h MET 342 N 0.07 0.00 0.00 1.13 2.86 0.00 -3.46 114.93 115.53 3hwk h MET 342 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hwk h MET 342 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3hwk h MET 342 CO 0.03 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.46 3hwk n GLY 343 N -0.73 1.03 3.76 8.32 0.00 -0.57 -5.10 105.19 111.91 3hwk n GLY 343 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3hwk n GLY 343 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hwk s PHE 344 N -2.00 3.42 0.43 1.61 0.08 -0.95 -5.03 117.98 115.55 3hwk s PHE 344 Ca 0.00 1.62 -0.25 0.00 0.12 0.00 0.00 56.93 58.42 3hwk s PHE 344 Cb 0.00 -3.39 -0.08 0.00 -0.57 0.00 0.00 43.02 38.98 3hwk s PHE 344 CO 0.00 -0.91 1.27 0.34 -0.10 0.00 0.00 175.22 175.82 3hwk s ASP 345 N -0.79 6.17 0.20 1.36 2.15 -1.26 -4.45 116.67 120.05 3hwk s ASP 345 Ca 0.46 2.58 -0.11 0.00 0.43 0.00 0.00 52.55 55.92 3hwk s ASP 345 Cb -0.34 -2.63 0.14 0.00 -0.30 0.00 0.00 42.92 39.80 3hwk s ASP 345 CO 0.44 -0.94 1.86 0.40 -0.17 0.00 0.00 175.17 176.76 3hwk h ILE 346 N 2.22 1.20 0.00 4.11 2.04 -1.96 -1.66 117.51 123.46 3hwk h ILE 346 Ca -0.50 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3hwk h ILE 346 Cb 1.25 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3hwk h ILE 346 CO 0.61 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.97 3hwk n ALA 347 N -2.32 1.30 1.46 1.87 0.00 -1.26 -1.36 120.51 120.20 3hwk n ALA 347 Ca 0.07 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.76 3hwk n ALA 347 Cb 0.04 -1.29 0.56 0.00 0.00 0.00 0.00 19.45 18.76 3hwk n ALA 347 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwk n SER 348 N -2.10 0.90 0.13 0.00 7.64 -0.62 -4.49 113.62 115.08 3hwk n SER 348 Ca 0.00 -1.01 -0.14 0.00 1.01 0.00 0.00 58.87 58.74 3hwk n SER 348 Cb 0.11 0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 3hwk n SER 348 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3hwk h PHE 349 N 1.26 -0.24 -0.34 1.43 -1.00 -1.30 -2.35 116.94 114.40 3hwk h PHE 349 Ca 0.00 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 3hwk h PHE 349 Cb 0.40 0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 3hwk h PHE 349 CO 0.00 -0.09 -0.01 1.15 -1.61 0.00 0.00 178.31 177.75 3hwk h THR 350 N -0.34 1.20 -0.56 -1.55 2.02 -1.81 -1.66 112.91 110.21 3hwk h THR 350 Ca -0.03 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 3hwk h THR 350 Cb 0.26 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3hwk h THR 350 CO 0.04 0.27 0.35 -0.65 0.37 0.00 0.00 175.52 175.91 3hwk h PRO 351 N 0.50 0.75 -0.47 6.66 0.11 -1.78 -1.03 132.00 136.74 3hwk h PRO 351 Ca 0.11 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 3hwk h PRO 351 Cb 0.34 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 3hwk h PRO 351 CO 0.01 0.52 -0.17 0.82 -0.21 0.00 0.00 178.00 178.98 3hwk h ILE 352 N 0.77 1.27 -0.62 4.15 2.04 -0.83 -1.71 117.51 122.59 3hwk h ILE 352 Ca 0.20 -1.30 0.12 0.00 1.00 0.00 0.00 64.86 64.88 3hwk h ILE 352 Cb -0.05 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 3hwk h ILE 352 CO -0.04 0.45 0.15 0.15 0.00 0.00 0.00 178.15 178.86 3hwk h PHE 353 N 0.81 0.24 -0.36 1.37 3.04 -0.82 -2.46 116.94 118.75 3hwk h PHE 353 Ca 0.12 0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.16 3hwk h PHE 353 Cb 0.71 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 39.16 3hwk h PHE 353 CO 0.04 -0.02 0.05 0.28 -2.02 0.00 0.00 178.31 176.64 3hwk h VAL 354 N 0.28 0.79 -0.96 1.41 2.07 -0.33 0.32 116.25 119.83 3hwk h VAL 354 Ca 0.33 -0.06 0.21 0.00 0.82 0.00 0.00 66.70 68.01 3hwk h VAL 354 Cb 0.49 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 3hwk h VAL 354 CO -0.41 0.03 0.62 0.24 0.02 0.00 0.00 177.57 178.07 3hwk h MET 355 N 0.16 0.47 0.00 1.57 2.86 -0.93 -1.92 114.93 117.14 3hwk h MET 355 Ca 0.17 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3hwk h MET 355 Cb 0.21 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3hwk h MET 355 CO -0.25 0.31 -0.36 1.03 1.06 0.00 0.00 176.91 178.70 3hwk h SER 356 N 0.48 0.00 0.68 1.22 0.87 -1.07 -3.38 113.55 112.35 3hwk h SER 356 Ca 0.52 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 3hwk h SER 356 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3hwk h SER 356 CO -0.24 1.12 0.00 -1.14 -0.53 0.00 0.00 176.83 176.03 3hwk n ARG 357 N -4.57 0.06 0.07 2.24 3.00 0.02 -2.82 116.66 114.66 3hwk n ARG 357 Ca -0.16 0.24 0.13 0.00 -0.00 0.00 0.00 57.85 58.06 3hwk n ARG 357 Cb 0.52 -1.59 0.61 0.00 0.00 0.00 0.00 32.46 31.99 3hwk n ARG 357 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3hwk h ILE 358 N 0.00 0.90 0.27 5.15 6.09 -1.53 0.15 117.51 128.53 3hwk h ILE 358 Ca 0.00 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 63.43 3hwk h ILE 358 Cb 0.34 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.38 3hwk h ILE 358 CO 0.00 0.03 -0.13 0.71 -3.07 0.00 0.00 178.15 175.69 3hwk h THR 359 N 0.14 0.77 0.15 2.19 1.35 -1.75 -1.85 112.91 113.91 3hwk h THR 359 Ca 0.16 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3hwk h THR 359 Cb 0.46 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 3hwk h THR 359 CO -0.02 0.12 -0.12 1.23 -0.25 0.00 0.00 175.52 176.49 3hwk h GLY 360 N -0.69 -0.27 -0.27 5.82 0.00 -0.76 -1.01 103.07 105.89 3hwk h GLY 360 Ca -0.04 0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.52 3hwk h GLY 360 CO 0.06 -0.12 -0.30 1.49 0.00 0.00 0.00 176.54 177.67 3hwk h TRP 361 N -0.27 -0.83 0.00 5.60 6.55 -0.79 -1.19 115.95 125.01 3hwk h TRP 361 Ca -0.01 0.06 -0.10 0.00 0.95 0.00 0.00 58.89 59.80 3hwk h TRP 361 Cb 0.25 0.44 -0.01 0.00 -0.86 0.00 0.00 29.16 28.97 3hwk h TRP 361 CO -0.10 -0.37 -0.45 1.79 -1.05 0.00 0.00 178.44 178.26 3hwk h THR 362 N -0.18 1.16 -0.59 1.49 1.35 -1.16 -0.01 112.91 114.97 3hwk h THR 362 Ca 0.21 -1.65 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3hwk h THR 362 Cb 0.53 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 3hwk h THR 362 CO -0.60 0.44 0.36 0.00 -0.25 0.00 0.00 175.52 175.47 3hwk h ALA 363 N 1.55 0.75 -0.41 6.62 0.00 -0.60 -1.89 119.26 125.27 3hwk h ALA 363 Ca -0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3hwk h ALA 363 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hwk h ALA 363 CO 0.06 0.23 -0.34 0.45 0.00 0.00 0.00 179.25 179.64 3hwk h HIS 364 N 0.79 1.14 -0.59 0.00 -0.00 -0.54 -1.58 115.15 114.37 3hwk h HIS 364 Ca 0.21 -0.33 0.01 0.00 -0.00 0.00 0.00 60.37 60.26 3hwk h HIS 364 Cb -0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 3hwk h HIS 364 CO -0.02 1.16 0.39 0.82 -0.00 0.00 0.00 177.93 180.28 3hwk h ILE 365 N 0.80 1.15 -0.37 2.45 2.04 -0.93 0.37 117.51 123.02 3hwk h ILE 365 Ca 0.07 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3hwk h ILE 365 Cb 0.94 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3hwk h ILE 365 CO 0.09 0.15 -0.16 0.24 0.00 0.00 0.00 178.15 178.47 3hwk h MET 366 N 0.80 0.67 -0.19 2.37 2.86 -1.22 0.95 114.93 121.17 3hwk h MET 366 Ca 0.22 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 3hwk h MET 366 Cb -0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 3hwk h MET 366 CO -0.05 0.80 -0.26 1.49 1.06 0.00 0.00 176.91 179.95 3hwk h GLU 367 N 0.60 0.51 -0.74 1.72 4.81 -0.86 -2.21 114.58 118.41 3hwk h GLU 367 Ca 0.10 -0.29 0.08 0.00 -0.13 0.00 0.00 59.36 59.12 3hwk h GLU 367 Cb 0.61 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 3hwk h GLU 367 CO 0.04 0.89 0.40 0.37 -0.73 0.00 0.00 179.01 179.98 3hwk h GLN 368 N 0.16 0.69 -0.11 1.92 5.75 0.01 -2.21 115.11 121.31 3hwk h GLN 368 Ca 0.02 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.33 3hwk h GLN 368 Cb 0.83 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 3hwk h GLN 368 CO 0.06 0.45 -0.58 0.00 -2.65 0.00 0.00 178.83 176.12 3hwk h ALA 369 N 1.41 0.81 0.00 3.38 0.00 -0.68 -2.72 119.26 121.46 3hwk h ALA 369 Ca 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hwk h ALA 369 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hwk h ALA 369 CO -0.23 0.70 -0.40 1.79 0.00 0.00 0.00 179.25 181.11 3hwk h THR 370 N 0.26 0.00 -2.34 0.00 1.35 -1.23 -3.36 112.91 107.59 3hwk h THR 370 Ca -0.00 -0.64 -0.59 0.00 -0.55 0.00 0.00 66.41 64.63 3hwk h THR 370 Cb 1.09 1.40 -0.39 0.00 -1.73 0.00 0.00 68.15 68.51 3hwk h THR 370 CO 0.10 0.00 -0.92 0.00 -0.25 0.00 0.00 175.52 174.44 3hwk n ALA 371 N -1.91 2.93 -2.87 6.62 0.00 -0.85 -5.10 120.51 119.33 3hwk n ALA 371 Ca 0.04 -3.56 -0.33 0.00 0.00 0.00 0.00 53.44 49.58 3hwk n ALA 371 Cb 0.47 -0.82 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 3hwk n ALA 371 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hwk s ASN 372 N -0.79 6.39 -0.15 0.00 2.47 -1.04 -4.73 114.94 117.10 3hwk s ASN 372 Ca 0.33 0.37 -0.12 0.00 0.42 0.00 0.00 52.86 53.86 3hwk s ASN 372 Cb 0.08 -2.01 0.04 0.00 -1.45 0.00 0.00 41.25 37.91 3hwk s ASN 372 CO -0.15 0.22 0.38 0.00 -3.72 0.00 0.00 177.10 173.84 3hwk s ALA 373 N -1.40 -0.96 -0.00 1.71 0.00 -1.26 -5.11 121.76 114.74 3hwk s ALA 373 Ca 0.30 1.20 -0.38 0.00 0.00 0.00 0.00 51.96 53.09 3hwk s ALA 373 Cb -0.13 -0.71 -0.16 0.00 0.00 0.00 0.00 23.12 22.12 3hwk s ALA 373 CO 0.21 -0.20 1.44 -0.11 0.00 0.00 0.00 175.76 177.10 3hwk n LEU 374 N 3.31 1.84 -4.50 0.00 7.94 -1.24 -4.79 117.00 119.56 3hwk n LEU 374 Ca -0.16 1.11 -0.43 0.00 -1.11 0.00 0.00 56.01 55.41 3hwk n LEU 374 Cb 0.57 -1.18 -0.06 0.00 0.53 0.00 0.00 43.42 43.28 3hwk n LEU 374 CO 0.12 -0.89 0.46 -0.63 -1.11 0.00 0.00 177.39 175.34 3hwk s ILE 375 N 1.23 4.73 -0.38 1.96 1.01 -1.26 -4.96 121.20 123.52 3hwk s ILE 375 Ca 0.88 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.54 3hwk s ILE 375 Cb -0.98 -4.32 0.16 0.00 0.01 0.00 0.00 42.46 37.33 3hwk s ILE 375 CO 0.51 -0.79 0.44 -0.60 0.00 0.00 0.00 174.94 174.50 3hwk s ARG 376 N 3.05 0.70 0.98 2.79 3.00 -1.26 -5.04 118.95 123.17 3hwk s ARG 376 Ca 0.22 -0.76 -0.16 0.00 -1.00 0.00 0.00 55.73 54.04 3hwk s ARG 376 Cb -0.15 -0.53 0.22 0.00 0.00 0.00 0.00 34.95 34.48 3hwk s ARG 376 CO 0.17 -1.20 1.34 -1.25 0.00 0.00 0.00 175.30 174.36 3hwk s PRO 377 N 1.48 0.43 0.36 5.12 0.04 -1.26 -5.10 135.00 136.07 3hwk s PRO 377 Ca 0.17 -0.54 0.08 0.00 0.04 0.00 0.00 61.00 60.74 3hwk s PRO 377 Cb -0.12 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3hwk s PRO 377 CO -0.04 -2.53 0.32 -0.51 0.04 0.00 0.00 177.00 174.28 3hwk s LEU 378 N -5.92 3.52 0.18 -3.56 1.43 -1.26 -5.15 118.68 107.92 3hwk s LEU 378 Ca 0.76 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3hwk s LEU 378 Cb -0.02 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3hwk s LEU 378 CO 0.53 -0.45 -0.15 -0.94 0.23 0.00 0.00 176.35 175.58 3hwk s SER 379 N -4.03 2.46 0.10 2.29 1.04 -1.26 -5.10 113.70 109.19 3hwk s SER 379 Ca 0.43 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3hwk s SER 379 Cb -0.05 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 3hwk s SER 379 CO 0.27 -0.14 0.19 0.00 0.98 0.00 0.00 173.24 174.54 3hwk s ALA 380 N -2.61 3.85 -0.13 5.32 0.00 -1.26 -5.11 121.76 121.83 3hwk s ALA 380 Ca 0.18 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 3hwk s ALA 380 Cb -0.03 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3hwk s ALA 380 CO 0.06 0.69 0.00 -0.47 0.00 0.00 0.00 175.76 176.04 3hwk s TYR 381 N -1.58 3.14 -0.04 0.00 5.04 -1.26 -4.97 117.35 117.68 3hwk s TYR 381 Ca 0.33 0.01 0.06 0.00 -2.44 0.00 0.00 57.07 55.03 3hwk s TYR 381 Cb -0.12 -1.91 0.09 0.00 0.35 0.00 0.00 41.96 40.37 3hwk s TYR 381 CO 0.26 0.24 1.00 0.00 -1.34 0.00 0.00 175.55 175.72 3hwk n GLY 383 N -0.45 0.97 3.75 0.00 0.00 -1.26 -5.03 105.19 103.17 3hwk n GLY 383 Ca 0.05 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3hwk n GLY 383 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hwk s HIS 384 N 1.31 3.08 0.99 1.61 3.76 -1.26 -5.03 115.29 119.75 3hwk s HIS 384 Ca 0.00 1.12 -0.11 0.00 -0.15 0.00 0.00 55.06 55.92 3hwk s HIS 384 Cb 0.00 -3.75 0.18 0.00 1.11 0.00 0.00 32.58 30.12 3hwk s HIS 384 CO 0.00 -2.37 1.09 -1.83 -0.85 0.00 0.00 174.74 170.77 3hwk s GLU 385 N -0.51 0.47 0.21 1.40 -1.05 -1.26 -4.91 118.70 113.05 3hwk s GLU 385 Ca 0.57 1.07 -0.32 0.00 -0.15 0.00 0.00 54.97 56.15 3hwk s GLU 385 Cb -0.40 -1.70 -0.13 0.00 -0.44 0.00 0.00 34.13 31.46 3hwk s GLU 385 CO 0.43 -2.85 1.61 0.94 0.95 0.00 0.00 175.26 176.34 3hwk n GLN 386 N -4.34 2.46 -4.10 -4.83 7.27 -1.26 -5.00 117.38 107.58 3hwk n GLN 386 Ca 0.07 0.88 -0.10 0.00 0.07 0.00 0.00 57.00 57.93 3hwk n GLN 386 Cb 0.54 -2.66 -0.10 0.00 2.41 0.00 0.00 30.24 30.42 3hwk n GLN 386 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3hwk s ARG 387 N 0.54 0.64 0.29 3.69 1.70 -1.26 -5.15 118.95 119.41 3hwk s ARG 387 Ca 0.73 -1.10 -0.12 0.00 -0.47 0.00 0.00 55.73 54.77 3hwk s ARG 387 Cb -0.58 -0.06 -0.08 0.00 -0.57 0.00 0.00 34.95 33.66 3hwk s ARG 387 CO 0.40 -0.04 0.65 0.14 -1.08 0.00 0.00 175.30 175.37 3hwk s VAL 388 N -3.02 4.81 0.09 4.99 -7.23 -1.26 -5.04 120.40 113.75 3hwk s VAL 388 Ca 0.03 0.68 -0.31 0.00 -1.81 0.00 0.00 61.98 60.57 3hwk s VAL 388 Cb 0.01 -3.63 -0.08 0.00 0.56 0.00 0.00 36.38 33.24 3hwk s VAL 388 CO -0.05 -0.18 1.50 -0.22 -0.31 0.00 0.00 175.10 175.85 3hwk s LEU 389 N -3.03 4.36 0.00 1.32 2.96 -1.26 -5.30 118.68 117.72 3hwk s LEU 389 Ca 0.51 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.82 3hwk s LEU 389 Cb -0.11 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3hwk s LEU 389 CO 0.21 -0.77 0.44 -2.65 -1.32 0.00 0.00 176.35 172.26