#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 4.81 -1.43 5.18 1.01 -1.26 -4.96 121.20 124.56 3hwk s ILE 28 Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 3hwk s ILE 28 Cb 0.00 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.37 3hwk s ILE 28 CO 0.00 -0.46 2.26 0.29 0.00 0.00 0.00 174.94 177.03 3hwk n LYS 29 N 6.26 3.34 -1.67 2.79 4.76 -1.26 -4.98 118.16 127.40 3hwk n LYS 29 Ca -0.00 -2.86 -0.42 0.00 -2.87 0.00 0.00 58.31 52.15 3hwk n LYS 29 Cb 0.48 -3.06 -0.03 0.00 -1.84 0.00 0.00 35.03 30.58 3hwk n LYS 29 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3hwk n LYS 30 N 4.73 2.85 -1.06 1.97 3.00 -1.26 -1.53 118.16 126.85 3hwk n LYS 30 Ca 0.54 1.04 -0.02 0.00 -0.00 0.00 0.00 58.31 59.87 3hwk n LYS 30 Cb 0.35 -2.98 -0.01 0.00 0.00 0.00 0.00 35.03 32.39 3hwk n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hwk n GLY 31 N 4.45 0.49 2.62 3.14 0.00 -1.26 -3.22 105.19 111.41 3hwk n GLY 31 Ca 0.19 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.23 -1.52 -4.66 0.99 4.77 -0.58 -4.88 117.00 110.88 3hwk n LEU 32 Ca -0.02 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3hwk n LEU 32 Cb 0.20 -2.39 -0.03 0.00 -2.33 0.00 0.00 43.42 38.88 3hwk n LEU 32 CO 0.03 -0.07 1.49 0.00 -1.33 0.00 0.00 177.39 177.51 3hwk s ALA 33 N -2.80 3.61 0.00 -1.18 0.00 -1.20 -1.84 121.76 118.35 3hwk s ALA 33 Ca 0.09 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3hwk s ALA 33 Cb -0.04 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3hwk s ALA 33 CO 0.11 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.82 3hwk n GLY 34 N 4.34 0.62 3.66 0.00 0.00 -1.26 -4.96 105.19 107.59 3hwk n GLY 34 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.69 5.10 -0.33 1.61 1.01 -0.77 -5.03 120.40 119.29 3hwk s VAL 35 Ca 0.00 0.95 -0.21 0.00 0.00 0.00 0.00 61.98 62.72 3hwk s VAL 35 Cb 0.00 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 3hwk s VAL 35 CO 0.00 0.16 0.68 -0.69 0.00 0.00 0.00 175.10 175.25 3hwk s VAL 36 N 1.72 4.87 -0.58 2.92 1.01 -1.26 -4.94 120.40 124.14 3hwk s VAL 36 Ca 0.24 0.80 0.15 0.00 0.00 0.00 0.00 61.98 63.17 3hwk s VAL 36 Cb -0.15 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 31.97 3hwk s VAL 36 CO 0.10 -0.27 0.58 1.33 0.00 0.00 0.00 175.10 176.84 3hwk n VAL 37 N 5.55 0.00 -3.82 2.92 0.24 -1.26 -5.07 118.33 116.89 3hwk n VAL 37 Ca 0.00 -0.19 -0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3hwk n VAL 37 Cb 0.49 0.84 0.01 0.00 -1.47 0.00 0.00 33.84 33.70 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 -2.68 -0.04 0.05 -1.34 -1.08 -1.26 -5.16 116.67 105.16 3hwk s ASP 38 Ca 0.04 -0.37 0.02 0.00 -0.52 0.00 0.00 52.55 51.72 3hwk s ASP 38 Cb 0.11 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.85 3hwk s ASP 38 CO 0.62 -0.61 0.07 0.42 0.52 0.00 0.00 175.17 176.19 3hwk s THR 39 N -2.38 4.56 0.07 1.71 -4.23 -1.26 -5.13 115.64 108.98 3hwk s THR 39 Ca 0.20 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3hwk s THR 39 Cb 0.00 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 3hwk s THR 39 CO 0.01 0.21 -0.08 0.28 -0.54 0.00 0.00 174.62 174.50 3hwk s THR 40 N -1.31 0.67 -1.26 3.99 -1.32 -1.26 -5.03 115.64 110.12 3hwk s THR 40 Ca 0.27 -1.43 0.12 0.00 -1.21 0.00 0.00 61.69 59.43 3hwk s THR 40 Cb -0.12 -1.07 0.24 0.00 -1.51 0.00 0.00 72.50 70.05 3hwk s THR 40 CO 0.19 -0.55 1.13 0.00 -2.21 0.00 0.00 174.62 173.17 3hwk n ALA 41 N 0.86 2.31 0.11 11.08 0.00 -1.26 -4.76 120.51 128.85 3hwk n ALA 41 Ca -0.18 -0.93 -0.23 0.00 0.00 0.00 0.00 53.44 52.09 3hwk n ALA 41 Cb 0.57 -0.46 -0.15 0.00 0.00 0.00 0.00 19.45 19.40 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 2.36 1.13 -2.55 0.00 2.04 -1.95 -3.41 117.51 115.12 3hwk h ILE 42 Ca 0.00 -2.64 0.04 0.00 1.00 0.00 0.00 64.86 63.27 3hwk h ILE 42 Cb 0.66 2.90 -0.14 0.00 -0.74 0.00 0.00 36.82 39.50 3hwk h ILE 42 CO 0.00 0.84 0.36 -0.94 0.00 0.00 0.00 178.15 178.40 3hwk s SER 43 N -7.42 -0.47 0.20 1.72 1.04 -1.26 -1.25 113.70 106.26 3hwk s SER 43 Ca -0.12 0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.14 3hwk s SER 43 Cb 0.05 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.70 3hwk s SER 43 CO 0.90 -0.76 0.64 -1.59 0.98 0.00 0.00 173.24 173.40 3hwk s LYS 44 N -3.23 1.44 -0.29 4.02 -2.85 -1.13 -4.90 119.74 112.80 3hwk s LYS 44 Ca 0.02 -0.64 -0.09 0.00 -1.00 0.00 0.00 55.97 54.26 3hwk s LYS 44 Cb -0.01 0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 36.34 3hwk s LYS 44 CO -0.09 -0.64 0.13 0.08 0.10 0.00 0.00 175.35 174.92 3hwk s VAL 45 N -3.81 4.61 -0.10 1.79 1.01 -1.26 -0.44 120.40 122.20 3hwk s VAL 45 Ca 0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3hwk s VAL 45 Cb -0.03 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3hwk s VAL 45 CO -0.06 0.17 1.76 -0.69 0.00 0.00 0.00 175.10 176.28 3hwk s VAL 46 N 1.63 3.44 0.04 2.92 1.01 0.13 -4.84 120.40 124.74 3hwk s VAL 46 Ca 0.05 0.52 -0.24 0.00 0.00 0.00 0.00 61.98 62.32 3hwk s VAL 46 Cb -0.16 -3.39 -0.16 0.00 0.00 0.00 0.00 36.38 32.66 3hwk s VAL 46 CO 0.06 -0.11 1.51 1.55 0.00 0.00 0.00 175.10 178.11 3hwk h PRO 47 N 10.63 0.06 -0.21 2.72 0.13 -1.97 0.71 132.00 144.07 3hwk h PRO 47 Ca -0.40 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3hwk h PRO 47 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3hwk h PRO 47 CO 0.96 0.29 0.09 1.96 -0.23 0.00 0.00 178.00 181.07 3hwk h GLN 48 N -0.18 0.29 0.00 0.86 1.08 -2.00 -2.47 115.11 112.69 3hwk h GLN 48 Ca 0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3hwk h GLN 48 Cb 0.26 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3hwk h GLN 48 CO 0.00 0.24 -1.05 2.41 -0.95 0.00 0.00 178.83 179.49 3hwk n THR 49 N -4.45 0.00 -3.94 -0.54 -1.04 -1.21 -4.99 114.28 98.11 3hwk n THR 49 Ca 0.00 -0.10 -0.25 0.00 -2.04 0.00 0.00 64.05 61.66 3hwk n THR 49 Cb 0.12 0.87 -0.02 0.00 -1.82 0.00 0.00 70.33 69.48 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 -1.55 -0.40 -4.28 8.00 5.15 0.18 -4.95 115.26 117.42 3hwk n ASN 50 Ca 0.03 -1.00 -0.39 0.00 -0.60 0.00 0.00 54.58 52.62 3hwk n ASN 50 Cb 0.33 -3.11 -0.11 0.00 -0.53 0.00 0.00 39.78 36.36 3hwk n ASN 50 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3hwk s SER 51 N -4.36 5.48 0.20 1.20 0.15 -0.85 -4.49 113.70 111.04 3hwk s SER 51 Ca 0.01 -1.28 -0.30 0.00 0.70 0.00 0.00 55.95 55.08 3hwk s SER 51 Cb -0.01 -1.93 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 3hwk s SER 51 CO 0.88 -0.41 1.37 -0.22 1.20 0.00 0.00 173.24 176.06 3hwk s LEU 52 N 1.42 4.40 0.09 3.45 2.96 -1.26 -0.70 118.68 129.04 3hwk s LEU 52 Ca 0.01 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 56.47 3hwk s LEU 52 Cb -0.21 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 3hwk s LEU 52 CO 0.03 -0.61 -0.20 0.42 -1.32 0.00 0.00 176.35 174.67 3hwk s THR 53 N 0.29 1.61 -0.21 3.68 -4.23 0.42 -1.40 115.64 115.80 3hwk s THR 53 Ca 0.59 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3hwk s THR 53 Cb -0.39 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 71.99 3hwk s THR 53 CO 0.38 -0.06 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.99 3hwk s TYR 54 N -1.14 2.91 -1.34 3.99 2.02 0.24 -2.86 117.35 121.18 3hwk s TYR 54 Ca 0.05 -1.28 -0.13 0.00 -0.37 0.00 0.00 57.07 55.34 3hwk s TYR 54 Cb -0.10 -2.03 0.12 0.00 -0.40 0.00 0.00 41.96 39.55 3hwk s TYR 54 CO 0.04 -0.67 0.52 0.54 -1.57 0.00 0.00 175.55 174.41 3hwk n ARG 55 N 4.72 -2.74 0.00 -0.62 5.12 -0.38 -1.75 116.66 121.00 3hwk n ARG 55 Ca -0.19 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3hwk n ARG 55 Cb 0.50 -4.98 0.00 0.00 -1.16 0.00 0.00 32.46 26.82 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 -1.11 3.38 3.73 -0.13 0.00 -1.26 -4.96 105.19 104.84 3hwk n GLY 56 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.60 3.61 0.25 1.61 2.02 -0.72 -4.95 117.35 116.56 3hwk s TYR 57 Ca 0.00 1.17 -0.30 0.00 -0.37 0.00 0.00 57.07 57.57 3hwk s TYR 57 Cb 0.00 -2.69 -0.10 0.00 -0.40 0.00 0.00 41.96 38.77 3hwk s TYR 57 CO 0.00 0.20 1.51 -2.14 -1.57 0.00 0.00 175.55 173.55 3hwk s PRO 58 N 0.40 4.22 0.35 -1.71 0.02 -1.26 -0.59 135.00 136.42 3hwk s PRO 58 Ca 0.33 2.39 0.07 0.00 0.02 0.00 0.00 61.00 63.81 3hwk s PRO 58 Cb -0.17 -3.09 0.65 0.00 0.02 0.00 0.00 34.50 31.90 3hwk s PRO 58 CO 0.16 -0.51 1.87 0.28 -0.33 0.00 0.00 177.00 178.47 3hwk h VAL 59 N 3.58 1.20 -0.74 3.83 2.07 -1.58 -1.60 116.25 123.01 3hwk h VAL 59 Ca -0.46 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3hwk h VAL 59 Cb 1.22 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3hwk h VAL 59 CO 0.81 0.28 0.41 -0.61 0.02 0.00 0.00 177.57 178.48 3hwk h GLN 60 N 0.35 0.72 -0.03 1.57 4.15 -1.90 0.22 115.11 120.19 3hwk h GLN 60 Ca 0.07 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3hwk h GLN 60 Cb 0.42 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3hwk h GLN 60 CO 0.02 0.47 -0.08 -0.44 -1.93 0.00 0.00 178.83 176.88 3hwk h ASP 61 N 0.74 0.13 -0.85 -0.69 3.32 -1.79 -2.52 116.42 114.76 3hwk h ASP 61 Ca 0.34 -0.58 0.13 0.00 0.02 0.00 0.00 57.03 56.93 3hwk h ASP 61 Cb 0.25 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 3hwk h ASP 61 CO -0.21 0.69 0.46 -0.07 -1.72 0.00 0.00 179.24 178.39 3hwk h LEU 62 N -0.42 0.61 -1.07 1.55 3.38 -1.11 -0.11 115.31 118.14 3hwk h LEU 62 Ca 0.00 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 62 Cb 0.67 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3hwk h LEU 62 CO 0.02 0.30 -0.01 0.00 0.09 0.00 0.00 178.44 178.83 3hwk h ALA 63 N 1.52 1.23 0.00 1.53 0.00 -0.56 0.19 119.26 123.17 3hwk h ALA 63 Ca 0.44 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3hwk h ALA 63 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hwk h ALA 63 CO -0.31 0.51 -0.85 0.00 0.00 0.00 0.00 179.25 178.60 3hwk h ALA 64 N 1.38 0.60 0.00 0.00 0.00 -0.79 -3.41 119.26 117.04 3hwk h ALA 64 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3hwk h ALA 64 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hwk h ALA 64 CO 0.02 1.03 -0.90 0.54 0.00 0.00 0.00 179.25 179.94 3hwk n ARG 65 N -3.56 0.68 -3.72 0.00 1.74 -0.17 -5.08 116.66 106.55 3hwk n ARG 65 Ca -0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 3hwk n ARG 65 Cb 0.80 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 31.26 3hwk n ARG 65 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hwk s SER 67 N -4.04 6.02 0.22 0.00 1.04 -1.26 -4.80 113.70 110.86 3hwk s SER 67 Ca 0.43 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.96 3hwk s SER 67 Cb -0.06 -1.61 0.21 0.00 0.10 0.00 0.00 66.02 64.66 3hwk s SER 67 CO 0.27 -0.49 1.86 0.15 0.98 0.00 0.00 173.24 176.01 3hwk h PHE 68 N 0.66 0.89 -0.50 5.02 3.57 -1.95 -1.72 116.94 122.92 3hwk h PHE 68 Ca -0.47 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.15 3hwk h PHE 68 Cb 1.24 -0.29 -0.10 0.00 2.79 0.00 0.00 35.95 39.59 3hwk h PHE 68 CO 0.46 0.51 -0.29 0.93 -2.23 0.00 0.00 178.31 177.69 3hwk h GLU 69 N 0.93 -0.17 -0.92 1.11 3.07 -1.99 0.43 114.58 117.04 3hwk h GLU 69 Ca 0.30 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.21 3hwk h GLU 69 Cb 0.01 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 3hwk h GLU 69 CO -0.11 -0.11 0.60 1.96 -1.40 0.00 0.00 179.01 179.95 3hwk h GLN 70 N -0.17 1.13 -0.26 2.33 4.20 -1.79 -1.26 115.11 119.29 3hwk h GLN 70 Ca 0.22 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3hwk h GLN 70 Cb 0.52 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3hwk h GLN 70 CO -0.60 0.75 -0.22 0.28 -0.67 0.00 0.00 178.83 178.37 3hwk h VAL 71 N 1.17 1.31 -0.24 -0.54 2.07 -0.41 -1.03 116.25 118.59 3hwk h VAL 71 Ca 0.37 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3hwk h VAL 71 Cb -0.01 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3hwk h VAL 71 CO -0.12 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.90 3hwk h ALA 72 N 0.70 0.21 -0.44 1.67 0.00 0.07 0.18 119.26 121.65 3hwk h ALA 72 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3hwk h ALA 72 Cb 0.77 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 3hwk h ALA 72 CO 0.06 -0.42 0.08 0.35 0.00 0.00 0.00 179.25 179.31 3hwk h PHE 73 N 0.07 0.12 -0.04 0.00 3.57 -1.13 -1.45 116.94 118.09 3hwk h PHE 73 Ca 0.11 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hwk h PHE 73 Cb 0.14 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3hwk h PHE 73 CO -0.19 -0.01 -0.02 1.25 -2.23 0.00 0.00 178.31 177.12 3hwk h LEU 74 N 0.21 -0.05 -0.75 0.59 5.85 -0.70 0.30 115.31 120.75 3hwk h LEU 74 Ca 0.21 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.04 3hwk h LEU 74 Cb 0.27 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3hwk h LEU 74 CO -0.29 -0.02 0.41 -0.07 -0.34 0.00 0.00 178.44 178.12 3hwk h LEU 75 N -0.01 0.56 0.10 2.25 3.38 -0.59 0.22 115.31 121.22 3hwk h LEU 75 Ca 0.02 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 3hwk h LEU 75 Cb 0.04 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hwk h LEU 75 CO -0.04 0.33 -1.09 -0.50 0.09 0.00 0.00 178.44 177.23 3hwk h TRP 76 N 0.69 0.90 0.00 1.13 6.55 -0.90 -3.39 115.95 120.94 3hwk h TRP 76 Ca 0.36 -0.56 -0.10 0.00 0.95 0.00 0.00 58.89 59.54 3hwk h TRP 76 Cb 0.34 -0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 28.54 3hwk h TRP 76 CO -0.08 1.41 -1.92 0.54 -1.05 0.00 0.00 178.44 177.33 3hwk n ARG 77 N -3.90 0.66 -0.06 0.49 1.74 0.10 -4.98 116.66 110.70 3hwk n ARG 77 Ca -0.13 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 3hwk n ARG 77 Cb 0.91 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3hwk n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hwk n GLY 78 N 1.38 0.47 2.97 -0.13 0.00 0.74 -5.04 105.19 105.59 3hwk n GLY 78 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.87 0.29 0.58 1.61 0.41 -1.25 -4.96 118.70 114.51 3hwk s GLU 79 Ca 0.00 -0.56 -0.20 0.00 -0.41 0.00 0.00 54.97 53.79 3hwk s GLU 79 Cb 0.00 0.10 -0.04 0.00 -1.78 0.00 0.00 34.13 32.41 3hwk s GLU 79 CO 0.00 -0.05 1.29 -0.51 -0.49 0.00 0.00 175.26 175.51 3hwk s LEU 80 N -1.35 3.75 0.37 1.80 1.43 -1.26 -3.89 118.68 119.53 3hwk s LEU 80 Ca -0.15 2.61 -0.24 0.00 -1.03 0.00 0.00 54.13 55.33 3hwk s LEU 80 Cb -0.09 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 3hwk s LEU 80 CO -0.01 -1.64 0.96 -2.16 0.23 0.00 0.00 176.35 173.73 3hwk s PRO 81 N -3.10 4.41 1.00 1.29 0.04 -1.26 -5.00 135.00 132.39 3hwk s PRO 81 Ca 0.75 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 3hwk s PRO 81 Cb -0.37 -2.56 0.19 0.00 0.04 0.00 0.00 34.50 31.81 3hwk s PRO 81 CO 0.41 0.12 1.08 0.95 0.04 0.00 0.00 177.00 179.61 3hwk s THR 82 N -1.82 2.18 0.25 1.26 -4.23 -1.26 -4.77 115.64 107.25 3hwk s THR 82 Ca 0.55 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 3hwk s THR 82 Cb -0.16 -2.48 0.25 0.00 1.34 0.00 0.00 72.50 71.45 3hwk s THR 82 CO 0.20 -0.07 1.92 0.44 -0.54 0.00 0.00 174.62 176.57 3hwk h ASP 83 N -1.93 1.14 -0.11 3.99 3.32 -1.99 -0.92 116.42 119.91 3hwk h ASP 83 Ca -0.54 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.46 3hwk h ASP 83 Cb 1.32 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3hwk h ASP 83 CO 0.56 0.84 0.06 0.00 -1.72 0.00 0.00 179.24 178.98 3hwk h ALA 84 N 1.36 0.15 -0.78 3.45 0.00 -2.00 -1.64 119.26 119.80 3hwk h ALA 84 Ca 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3hwk h ALA 84 Cb -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hwk h ALA 84 CO -0.07 -0.30 0.52 0.93 0.00 0.00 0.00 179.25 180.32 3hwk h GLU 85 N 0.07 1.02 -0.24 0.00 5.08 -1.84 -2.66 114.58 116.01 3hwk h GLU 85 Ca 0.04 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3hwk h GLU 85 Cb 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3hwk h GLU 85 CO -0.01 0.68 0.13 1.25 -1.00 0.00 0.00 179.01 180.06 3hwk h LEU 86 N 1.05 0.20 -0.75 1.33 5.85 -1.08 -1.32 115.31 120.59 3hwk h LEU 86 Ca 0.29 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.12 3hwk h LEU 86 Cb -0.12 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.80 3hwk h LEU 86 CO -0.06 0.15 0.37 0.00 -0.34 0.00 0.00 178.44 178.56 3hwk h ALA 87 N 1.11 1.05 -0.14 1.25 0.00 -0.96 0.17 119.26 121.74 3hwk h ALA 87 Ca 0.09 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 87 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hwk h ALA 87 CO -0.06 -0.05 -0.36 -0.07 0.00 0.00 0.00 179.25 178.72 3hwk h LEU 88 N 0.61 0.55 -0.52 0.00 3.38 -1.32 -1.29 115.31 116.72 3hwk h LEU 88 Ca 0.37 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3hwk h LEU 88 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3hwk h LEU 88 CO -0.29 1.04 0.29 0.15 0.09 0.00 0.00 178.44 179.73 3hwk h PHE 89 N 0.10 0.71 -0.71 1.13 3.57 -0.90 -0.53 116.94 120.30 3hwk h PHE 89 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 3hwk h PHE 89 Cb 0.97 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3hwk h PHE 89 CO 0.10 0.52 0.19 1.03 -2.23 0.00 0.00 178.31 177.92 3hwk h SER 90 N 0.70 1.07 -0.56 0.41 0.87 -0.66 -0.96 113.55 114.42 3hwk h SER 90 Ca 0.19 -0.22 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3hwk h SER 90 Cb 0.03 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3hwk h SER 90 CO -0.03 1.01 0.03 -0.61 -0.53 0.00 0.00 176.83 176.70 3hwk h GLN 91 N 1.08 1.00 -0.70 2.24 5.75 -0.74 -0.92 115.11 122.81 3hwk h GLN 91 Ca 0.23 -0.29 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3hwk h GLN 91 Cb 0.35 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.76 3hwk h GLN 91 CO -0.00 0.96 0.33 0.00 -2.65 0.00 0.00 178.83 177.47 3hwk h ARG 92 N 0.92 1.00 -0.27 1.69 3.08 -0.78 -1.63 114.38 118.39 3hwk h ARG 92 Ca 0.17 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3hwk h ARG 92 Cb 0.49 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3hwk h ARG 92 CO 0.02 0.77 -0.05 1.49 -1.07 0.00 0.00 179.97 181.13 3hwk h GLU 93 N 0.99 0.51 -0.06 0.04 4.22 -0.75 -2.27 114.58 117.26 3hwk h GLU 93 Ca 0.24 -0.19 -0.09 0.00 0.08 0.00 0.00 59.36 59.41 3hwk h GLU 93 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hwk h GLU 93 CO -0.03 0.71 -0.36 0.00 -2.18 0.00 0.00 179.01 177.15 3hwk h ARG 94 N 0.27 0.12 0.00 1.92 3.08 -1.11 -2.67 114.38 115.99 3hwk h ARG 94 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hwk h ARG 94 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3hwk h ARG 94 CO 0.02 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.40 3hwk n ALA 95 N -2.47 2.18 -0.11 0.04 0.00 -0.62 -3.51 120.51 116.00 3hwk n ALA 95 Ca -0.02 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.46 3hwk n ALA 95 Cb 0.42 -1.44 0.22 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.85 3.31 0.12 0.00 7.64 -0.87 -4.67 113.62 117.31 3hwk n SER 96 Ca 0.06 -1.96 -0.00 0.00 1.01 0.00 0.00 58.87 57.98 3hwk n SER 96 Cb 0.34 -0.31 0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3hwk n SER 96 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3hwk h ARG 97 N 3.26 0.00 -6.94 1.43 3.08 -1.59 -3.35 114.38 110.27 3hwk h ARG 97 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3hwk h ARG 97 Cb 0.85 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.95 3hwk h ARG 97 CO 0.00 0.64 0.50 1.03 -1.07 0.00 0.00 179.97 181.08 3hwk s ARG 98 N -2.99 4.05 0.01 0.04 0.52 -1.26 -4.55 118.95 114.77 3hwk s ARG 98 Ca 0.02 1.84 0.01 0.00 -0.52 0.00 0.00 55.73 57.08 3hwk s ARG 98 Cb 0.09 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 3hwk s ARG 98 CO 0.76 -0.32 0.04 0.14 0.02 0.00 0.00 175.30 175.94 3hwk s VAL 99 N -1.42 4.43 0.77 3.52 -7.23 -1.26 -4.99 120.40 114.22 3hwk s VAL 99 Ca 0.57 -0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 60.13 3hwk s VAL 99 Cb -0.31 -3.01 0.11 0.00 0.56 0.00 0.00 36.38 33.73 3hwk s VAL 99 CO 0.38 0.34 1.09 1.51 -0.31 0.00 0.00 175.10 178.11 3hwk s ASP 100 N -1.71 4.26 0.35 4.85 1.47 -1.26 -4.90 116.67 119.72 3hwk s ASP 100 Ca 0.22 0.19 0.04 0.00 1.18 0.00 0.00 52.55 54.18 3hwk s ASP 100 Cb -0.12 -0.61 0.64 0.00 -0.34 0.00 0.00 42.92 42.49 3hwk s ASP 100 CO 0.13 -1.96 1.93 0.03 0.68 0.00 0.00 175.17 175.98 3hwk h ARG 101 N -0.84 0.60 -0.68 2.11 3.08 -2.00 -1.89 114.38 114.75 3hwk h ARG 101 Ca -0.42 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3hwk h ARG 101 Cb 1.28 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 3hwk h ARG 101 CO 0.49 0.53 0.38 0.77 -1.07 0.00 0.00 179.97 181.07 3hwk h SER 102 N 0.59 0.82 -0.32 7.04 0.02 -1.99 0.18 113.55 119.90 3hwk h SER 102 Ca 0.14 -0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 3hwk h SER 102 Cb 0.19 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3hwk h SER 102 CO -0.01 0.66 -0.38 -0.03 -1.14 0.00 0.00 176.83 175.93 3hwk h MET 103 N 0.94 0.83 -0.40 3.45 1.85 -1.78 -1.72 114.93 118.09 3hwk h MET 103 Ca 0.24 -0.46 -0.03 0.00 -0.61 0.00 0.00 59.70 58.84 3hwk h MET 103 Cb 0.01 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 3hwk h MET 103 CO -0.04 1.09 0.13 -0.07 -0.40 0.00 0.00 176.91 177.62 3hwk h LEU 104 N 0.61 0.52 -0.27 3.39 3.38 -0.57 -0.61 115.31 121.75 3hwk h LEU 104 Ca 0.04 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3hwk h LEU 104 Cb 0.97 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hwk h LEU 104 CO 0.09 0.50 -0.73 -1.28 0.09 0.00 0.00 178.44 177.11 3hwk h SER 105 N 0.57 0.78 -0.25 -0.43 0.87 -0.58 -1.95 113.55 112.56 3hwk h SER 105 Ca 0.14 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3hwk h SER 105 Cb 0.17 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3hwk h SER 105 CO -0.01 1.27 0.17 0.25 -0.53 0.00 0.00 176.83 177.98 3hwk h LEU 106 N 0.46 0.29 -1.17 2.23 5.85 -0.74 -0.80 115.31 121.42 3hwk h LEU 106 Ca -0.04 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3hwk h LEU 106 Cb 1.34 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3hwk h LEU 106 CO 0.14 0.21 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.20 3hwk h LEU 107 N 0.34 0.34 -0.23 2.25 3.38 -1.05 -2.60 115.31 117.75 3hwk h LEU 107 Ca 0.09 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3hwk h LEU 107 Cb -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hwk h LEU 107 CO -0.02 0.55 -0.71 0.00 0.09 0.00 0.00 178.44 178.35 3hwk h ALA 108 N 1.49 0.62 -0.05 1.53 0.00 -1.18 -3.32 119.26 118.34 3hwk h ALA 108 Ca 0.06 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 3hwk h ALA 108 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hwk h ALA 108 CO 0.03 0.88 -0.74 0.87 0.00 0.00 0.00 179.25 180.29 3hwk h LYS 109 N 0.00 0.31 -6.96 0.00 1.57 -0.78 -3.46 116.57 107.26 3hwk h LYS 109 Ca -0.01 -0.27 -0.56 0.00 -1.87 0.00 0.00 60.65 57.94 3hwk h LYS 109 Cb 1.44 0.06 0.15 0.00 0.08 0.00 0.00 32.23 33.96 3hwk h LYS 109 CO 0.09 0.92 0.38 1.28 -0.57 0.00 0.00 179.45 181.55 3hwk n LEU 110 N -3.80 4.83 -4.72 2.94 4.77 -1.04 -4.90 117.00 115.08 3hwk n LEU 110 Ca -0.04 0.88 -0.40 0.00 -0.03 0.00 0.00 56.01 56.41 3hwk n LEU 110 Cb 0.71 -1.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.33 3hwk n LEU 110 CO 0.47 -1.22 0.93 -2.65 -1.33 0.00 0.00 177.39 173.59 3hwk n PRO 111 N -1.20 1.99 -0.00 3.23 -0.02 -1.26 -4.88 135.00 132.86 3hwk n PRO 111 Ca 0.13 0.71 0.15 0.00 -2.02 0.00 0.00 63.50 62.47 3hwk n PRO 111 Cb 0.46 -2.46 0.83 0.00 -0.02 0.00 0.00 33.50 32.32 3hwk n PRO 111 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hwk n ASP 112 N 0.02 0.18 -0.00 2.55 5.68 -1.26 -3.40 116.55 120.32 3hwk n ASP 112 Ca 0.06 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 3hwk n ASP 112 Cb 0.40 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3hwk n ASP 112 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3hwk n ASN 113 N -0.82 1.73 -4.78 -1.12 0.23 -1.26 -4.94 115.26 104.29 3hwk n ASN 113 Ca 0.22 -1.88 -0.33 0.00 -0.53 0.00 0.00 54.58 52.06 3hwk n ASN 113 Cb 0.13 -0.01 0.03 0.00 -2.08 0.00 0.00 39.78 37.86 3hwk n ASN 113 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwk s HIS 115 N -2.36 2.78 0.55 0.00 2.46 -1.26 -4.89 115.29 112.56 3hwk s HIS 115 Ca 0.66 1.16 0.25 0.00 0.47 0.00 0.00 55.06 57.60 3hwk s HIS 115 Cb -0.19 -3.92 1.44 0.00 -0.13 0.00 0.00 32.58 29.79 3hwk s HIS 115 CO 0.39 -2.75 2.03 -1.35 -2.47 0.00 0.00 174.74 170.59 3hwk h PRO 116 N 3.60 0.00 0.00 2.88 0.11 -1.94 0.12 132.00 136.77 3hwk h PRO 116 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3hwk h PRO 116 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hwk h PRO 116 CO 0.68 0.00 -0.09 0.52 -0.21 0.00 0.00 178.00 178.91 3hwk h MET 117 N 0.00 0.00 -0.30 1.05 2.86 -1.90 -2.27 114.93 114.37 3hwk h MET 117 Ca 0.19 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 3hwk h MET 117 Cb 0.81 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3hwk h MET 117 CO -0.00 0.09 -0.26 -0.44 1.06 0.00 0.00 176.91 177.36 3hwk h ASP 118 N 0.00 0.60 -0.30 1.22 3.32 -1.10 0.18 116.42 120.34 3hwk h ASP 118 Ca -0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 3hwk h ASP 118 Cb 0.16 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3hwk h ASP 118 CO 0.01 0.84 0.04 0.58 -1.72 0.00 0.00 179.24 179.00 3hwk h VAL 119 N 0.52 1.24 -0.16 -1.35 2.07 -1.42 -1.06 116.25 116.08 3hwk h VAL 119 Ca 0.07 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3hwk h VAL 119 Cb 0.72 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3hwk h VAL 119 CO 0.06 0.27 0.04 0.58 0.02 0.00 0.00 177.57 178.54 3hwk h VAL 120 N 0.32 1.20 -0.47 2.57 2.07 -1.27 0.17 116.25 120.84 3hwk h VAL 120 Ca 0.09 -0.62 0.09 0.00 0.82 0.00 0.00 66.70 67.08 3hwk h VAL 120 Cb 0.35 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3hwk h VAL 120 CO 0.01 0.19 -0.07 -0.09 0.02 0.00 0.00 177.57 177.62 3hwk h ARG 121 N 0.07 0.04 -0.31 1.57 2.43 -0.61 -1.32 114.38 116.25 3hwk h ARG 121 Ca 0.05 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3hwk h ARG 121 Cb 0.25 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hwk h ARG 121 CO -0.00 0.03 -0.48 1.15 -1.51 0.00 0.00 179.97 179.15 3hwk h THR 122 N 0.04 1.28 -0.24 0.20 2.02 -0.99 -2.62 112.91 112.59 3hwk h THR 122 Ca 0.23 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.75 3hwk h THR 122 Cb 0.35 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3hwk h THR 122 CO -0.45 0.55 0.16 0.00 0.37 0.00 0.00 175.52 176.15 3hwk h ALA 123 N 0.70 0.31 -0.45 6.16 0.00 -0.59 0.66 119.26 126.05 3hwk h ALA 123 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hwk h ALA 123 Cb 1.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3hwk h ALA 123 CO 0.11 -0.22 -0.08 0.82 0.00 0.00 0.00 179.25 179.89 3hwk h ILE 124 N 0.33 1.25 -0.32 0.00 1.08 -1.25 0.27 117.51 118.87 3hwk h ILE 124 Ca 0.09 -1.12 -0.02 0.00 -0.39 0.00 0.00 64.86 63.42 3hwk h ILE 124 Cb -0.04 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3hwk h ILE 124 CO -0.02 0.39 0.10 -1.28 -0.69 0.00 0.00 178.15 176.65 3hwk h SER 125 N 0.72 0.47 -0.59 1.72 0.87 -1.07 -1.55 113.55 114.11 3hwk h SER 125 Ca 0.13 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3hwk h SER 125 Cb 0.55 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 3hwk h SER 125 CO 0.03 0.54 0.35 0.22 -0.53 0.00 0.00 176.83 177.45 3hwk h TYR 126 N 0.37 0.79 -0.65 2.24 3.20 -0.34 -2.06 116.97 120.51 3hwk h TYR 126 Ca 0.10 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3hwk h TYR 126 Cb 0.24 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3hwk h TYR 126 CO 0.01 0.55 0.34 -0.07 -1.64 0.00 0.00 178.16 177.34 3hwk h LEU 127 N 0.80 0.48 -0.86 2.82 3.38 -0.21 -0.81 115.31 120.91 3hwk h LEU 127 Ca 0.21 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hwk h LEU 127 Cb -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3hwk h LEU 127 CO -0.04 0.30 0.52 1.23 0.09 0.00 0.00 178.44 180.55 3hwk h GLY 128 N 0.62 1.25 1.15 0.83 0.00 -0.90 -1.87 103.07 104.14 3hwk h GLY 128 Ca 0.30 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3hwk h GLY 128 CO -0.21 0.50 0.54 0.00 0.00 0.00 0.00 176.54 177.37 3hwk h ALA 129 N 1.28 1.46 -0.00 3.60 0.00 -0.50 -1.96 119.26 123.14 3hwk h ALA 129 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hwk h ALA 129 Cb -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hwk h ALA 129 CO -0.06 0.48 -0.01 0.39 0.00 0.00 0.00 179.25 180.05 3hwk n GLU 130 N -4.43 0.57 -3.45 0.00 -0.58 -0.55 -4.77 120.64 107.43 3hwk n GLU 130 Ca 0.10 -0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.37 3hwk n GLU 130 Cb 0.07 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.34 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 -2.46 6.08 0.66 1.62 -1.08 -0.74 -4.93 116.67 115.82 3hwk s ASP 131 Ca 0.32 -1.07 0.43 0.00 -0.52 0.00 0.00 52.55 51.71 3hwk s ASP 131 Cb 0.21 -2.15 2.38 0.00 -1.46 0.00 0.00 42.92 41.89 3hwk s ASP 131 CO 0.45 -0.52 2.36 1.55 0.52 0.00 0.00 175.17 179.53 3hwk h PRO 132 N 8.65 0.00 -0.48 4.34 0.13 -1.86 0.22 132.00 143.00 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 -3.16 2.79 -0.34 1.44 8.00 -1.26 -4.64 116.55 119.37 3hwk n ASP 133 Ca -0.03 -1.97 -0.02 0.00 0.71 0.00 0.00 54.79 53.48 3hwk n ASP 133 Cb 0.07 -0.32 0.03 0.00 -0.02 0.00 0.00 41.12 40.88 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 3.15 -0.04 -0.25 -1.24 4.81 -0.83 -1.03 114.58 119.15 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 0.72 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hwk h GLU 134 CO 0.00 -0.03 0.00 -0.25 -0.73 0.00 0.00 179.01 178.00 3hwk n ASP 135 N -5.46 1.56 -4.37 1.04 8.00 -1.26 -4.46 116.55 111.60 3hwk n ASP 135 Ca 0.09 -1.88 -0.45 0.00 0.71 0.00 0.00 54.79 53.26 3hwk n ASP 135 Cb 0.39 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 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 6.17 0.52 -2.24 2.15 -0.39 -4.95 116.67 116.71 3hwk s ASP 136 Ca 0.25 -1.40 0.21 0.00 0.43 0.00 0.00 52.55 52.03 3hwk s ASP 136 Cb 0.13 -2.21 1.35 0.00 -0.30 0.00 0.00 42.92 41.89 3hwk s ASP 136 CO 0.18 -0.76 2.12 0.00 -0.17 0.00 0.00 175.17 176.54 3hwk h ALA 137 N 8.84 1.68 0.00 3.66 0.00 -1.86 -1.19 119.26 130.40 3hwk h ALA 137 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3hwk h ALA 137 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hwk h ALA 137 CO 0.94 0.09 0.00 0.00 0.00 0.00 0.00 179.25 180.29 3hwk n ALA 138 N -2.44 1.56 0.31 0.00 0.00 -1.26 -1.69 120.51 116.99 3hwk n ALA 138 Ca -0.03 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.59 3hwk n ALA 138 Cb 0.16 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.48 3hwk n ALA 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwk n ALA 139 N -1.76 2.41 -0.36 0.00 0.00 -0.45 -4.66 120.51 115.70 3hwk n ALA 139 Ca 0.02 -0.93 0.08 0.00 0.00 0.00 0.00 53.44 52.60 3hwk n ALA 139 Cb 0.19 -0.96 0.25 0.00 0.00 0.00 0.00 19.45 18.94 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 3.12 0.88 -0.26 0.00 2.35 -1.43 -1.76 115.58 118.47 3hwk h ASN 140 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3hwk h ASN 140 Cb 0.71 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3hwk h ASN 140 CO 0.00 0.44 0.17 0.03 -1.65 0.00 0.00 177.43 176.42 3hwk h ARG 141 N 0.93 0.34 -0.55 0.81 3.08 -1.84 -0.27 114.38 116.89 3hwk h ARG 141 Ca 0.51 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.44 3hwk h ARG 141 Cb 0.57 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3hwk h ARG 141 CO -0.29 0.23 -0.05 0.00 -1.07 0.00 0.00 179.97 178.79 3hwk h ALA 142 N 1.10 0.88 -0.48 0.04 0.00 -1.75 -1.67 119.26 117.38 3hwk h ALA 142 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hwk h ALA 142 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hwk h ALA 142 CO -0.02 0.65 0.26 0.87 0.00 0.00 0.00 179.25 181.00 3hwk h LYS 143 N 0.89 0.67 -0.44 0.00 1.57 -1.18 -0.73 116.57 117.35 3hwk h LYS 143 Ca 0.15 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3hwk h LYS 143 Cb 0.59 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3hwk h LYS 143 CO 0.04 0.54 0.26 0.00 -0.57 0.00 0.00 179.45 179.71 3hwk h ALA 144 N 1.10 0.56 -0.75 3.86 0.00 -0.86 -0.91 119.26 122.25 3hwk h ALA 144 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hwk h ALA 144 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hwk h ALA 144 CO -0.03 -0.06 0.34 1.98 0.00 0.00 0.00 179.25 181.48 3hwk h MET 145 N 0.52 1.09 -0.63 0.00 1.85 -1.04 0.04 114.93 116.77 3hwk h MET 145 Ca 0.18 -0.17 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 3hwk h MET 145 Cb 0.02 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 31.83 3hwk h MET 145 CO -0.09 0.87 0.22 0.00 -0.40 0.00 0.00 176.91 177.51 3hwk h ARG 146 N 1.06 0.95 -0.27 0.39 3.08 -0.73 -1.48 114.38 117.39 3hwk h ARG 146 Ca 0.26 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3hwk h ARG 146 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3hwk h ARG 146 CO -0.03 0.83 0.06 0.52 -1.07 0.00 0.00 179.97 180.27 3hwk h MET 147 N 0.89 0.43 -0.89 0.04 2.86 -0.86 -1.58 114.93 115.82 3hwk h MET 147 Ca 0.20 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3hwk h MET 147 Cb 0.25 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3hwk h MET 147 CO -0.01 0.54 0.58 1.98 1.06 0.00 0.00 176.91 181.05 3hwk h MET 148 N 0.26 1.18 -0.02 1.72 1.85 -0.89 -1.97 114.93 117.06 3hwk h MET 148 Ca 0.08 -0.08 -0.20 0.00 -0.61 0.00 0.00 59.70 58.89 3hwk h MET 148 Cb 0.30 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 3hwk h MET 148 CO 0.00 0.80 -0.84 0.00 -0.40 0.00 0.00 176.91 176.47 3hwk h ALA 149 N 1.42 0.52 0.00 0.39 0.00 -0.97 -3.33 119.26 117.30 3hwk h ALA 149 Ca 0.33 -0.68 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3hwk h ALA 149 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hwk h ALA 149 CO -0.07 0.83 -1.33 1.55 0.00 0.00 0.00 179.25 180.24 3hwk n VAL 150 N -3.75 0.68 -0.16 0.00 3.14 -0.62 -4.26 118.33 113.36 3hwk n VAL 150 Ca -0.05 -0.59 -0.02 0.00 -2.96 0.00 0.00 64.34 60.72 3hwk n VAL 150 Cb 0.77 -0.38 0.07 0.00 -1.06 0.00 0.00 33.84 33.24 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 0.05 -1.65 6.55 3.38 -1.47 -1.67 115.31 120.50 3hwk h LEU 151 Ca -0.06 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hwk h LEU 151 Cb 1.19 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3hwk h LEU 151 CO 0.01 0.05 0.12 -0.65 0.09 0.00 0.00 178.44 178.06 3hwk h PRO 152 N 0.26 0.34 -0.12 1.13 0.11 -1.77 -0.57 132.00 131.38 3hwk h PRO 152 Ca 0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3hwk h PRO 152 Cb 0.32 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3hwk h PRO 152 CO -0.31 0.28 0.04 1.15 -0.21 0.00 0.00 178.00 178.95 3hwk h THR 153 N 0.35 1.18 0.23 -1.15 2.02 -1.55 -0.94 112.91 113.05 3hwk h THR 153 Ca 0.09 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3hwk h THR 153 Cb 0.05 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3hwk h THR 153 CO -0.01 0.16 -0.11 0.40 0.37 0.00 0.00 175.52 176.33 3hwk h ILE 154 N 0.01 0.79 -0.54 3.11 2.04 -1.07 -1.79 117.51 120.06 3hwk h ILE 154 Ca 0.04 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3hwk h ILE 154 Cb 0.22 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3hwk h ILE 154 CO -0.00 0.02 0.27 0.58 0.00 0.00 0.00 178.15 179.01 3hwk h VAL 155 N -0.35 0.93 -0.59 1.67 2.07 -1.04 -1.05 116.25 117.88 3hwk h VAL 155 Ca -0.03 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3hwk h VAL 155 Cb 0.27 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3hwk h VAL 155 CO 0.05 0.09 0.21 0.00 0.02 0.00 0.00 177.57 177.94 3hwk h ALA 156 N 1.31 0.77 -0.06 1.67 0.00 -1.16 -0.69 119.26 121.10 3hwk h ALA 156 Ca 0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hwk h ALA 156 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hwk h ALA 156 CO -0.18 0.41 0.03 0.82 0.00 0.00 0.00 179.25 180.33 3hwk h ILE 157 N 0.82 1.05 -0.73 0.00 2.04 -0.77 -1.06 117.51 118.85 3hwk h ILE 157 Ca 0.19 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3hwk h ILE 157 Cb 0.25 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3hwk h ILE 157 CO -0.01 0.04 0.34 -0.78 0.00 0.00 0.00 178.15 177.74 3hwk h ASP 158 N 0.04 0.97 -0.29 1.72 3.58 -1.14 0.78 116.42 122.08 3hwk h ASP 158 Ca 0.02 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 3hwk h ASP 158 Cb 0.04 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 3hwk h ASP 158 CO -0.00 0.84 0.15 -0.03 -2.88 0.00 0.00 179.24 177.32 3hwk h MET 159 N 1.03 0.41 -0.31 0.28 4.05 -1.00 -2.79 114.93 116.59 3hwk h MET 159 Ca 0.25 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.52 3hwk h MET 159 Cb 0.14 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3hwk h MET 159 CO -0.03 0.36 -0.22 0.00 0.23 0.00 0.00 176.91 177.26 3hwk h ARG 160 N 0.34 0.60 -0.68 0.39 3.08 -0.92 -2.91 114.38 114.27 3hwk h ARG 160 Ca 0.10 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3hwk h ARG 160 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3hwk h ARG 160 CO -0.01 0.78 0.38 -0.09 -1.07 0.00 0.00 179.97 179.95 3hwk h ARG 161 N 0.53 0.94 0.00 0.04 2.43 -0.63 0.37 114.38 118.06 3hwk h ARG 161 Ca 0.08 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hwk h ARG 161 Cb 0.67 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3hwk h ARG 161 CO 0.05 0.69 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 3hwk h ARG 162 N 0.95 0.00 -0.35 0.20 3.08 -1.29 -1.79 114.38 115.18 3hwk h ARG 162 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3hwk h ARG 162 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hwk h ARG 162 CO -0.04 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.40 3hwk n ARG 163 N -2.37 2.23 -1.59 0.04 1.74 -0.39 -4.94 116.66 111.38 3hwk n ARG 163 Ca 0.02 -1.86 -0.06 0.00 -0.77 0.00 0.00 57.85 55.19 3hwk n ARG 163 Cb 0.28 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.37 0.51 3.59 -0.13 0.00 -0.67 -5.05 105.19 104.80 3hwk n GLY 164 Ca 0.18 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.42 3.11 0.72 0.99 1.43 -0.02 -4.99 118.68 118.50 3hwk s LEU 165 Ca 0.00 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3hwk s LEU 165 Cb 0.00 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.40 3hwk s LEU 165 CO 0.00 0.23 1.07 -2.16 0.23 0.00 0.00 176.35 175.71 3hwk s PRO 166 N -1.84 2.72 0.67 1.29 0.04 -1.26 -3.47 135.00 133.14 3hwk s PRO 166 Ca 0.20 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.03 3hwk s PRO 166 Cb -0.11 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3hwk s PRO 166 CO 0.11 -1.26 1.22 -2.30 0.04 0.00 0.00 177.00 174.82 3hwk n PRO 167 N -3.24 0.92 -4.89 0.56 -0.02 -1.26 -4.91 135.00 122.16 3hwk n PRO 167 Ca 0.08 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3hwk n PRO 167 Cb 0.54 -2.46 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.53 2.52 0.52 4.25 1.01 -1.26 -5.11 121.20 121.59 3hwk s ILE 168 Ca 0.80 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 3hwk s ILE 168 Cb -0.37 -2.02 -0.07 0.00 0.01 0.00 0.00 42.46 40.01 3hwk s ILE 168 CO 0.43 0.54 1.10 0.00 0.00 0.00 0.00 174.94 177.01 3hwk n ALA 169 N 3.67 0.63 -1.77 9.38 0.00 -1.26 -4.80 120.51 126.37 3hwk n ALA 169 Ca -0.19 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 3hwk n ALA 169 Cb 0.53 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 17.82 3hwk n ALA 169 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hwk s PRO 170 N -2.51 3.70 -0.27 0.00 0.02 -1.26 -4.79 135.00 129.89 3hwk s PRO 170 Ca 0.69 2.45 -0.04 0.00 0.02 0.00 0.00 61.00 64.13 3hwk s PRO 170 Cb -0.47 -2.67 0.02 0.00 0.02 0.00 0.00 34.50 31.40 3hwk s PRO 170 CO 0.52 -0.82 0.00 -1.58 -0.33 0.00 0.00 177.00 174.79 3hwk s HIS 171 N -1.19 3.10 -1.89 6.54 2.46 -1.26 -4.98 115.29 118.06 3hwk s HIS 171 Ca 0.61 -1.25 0.24 0.00 0.47 0.00 0.00 55.06 55.13 3hwk s HIS 171 Cb -0.44 -2.15 1.42 0.00 -0.13 0.00 0.00 32.58 31.28 3hwk s HIS 171 CO 0.57 -0.65 1.82 -1.13 -2.47 0.00 0.00 174.74 172.89 3hwk n SER 172 N 4.77 0.00 -0.68 9.88 3.41 -1.26 -1.86 113.62 127.88 3hwk n SER 172 Ca -0.16 -0.64 0.13 0.00 -0.26 0.00 0.00 58.87 57.94 3hwk n SER 172 Cb 0.48 -0.05 0.23 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.57 0.40 3.57 5.00 0.00 -1.26 -4.93 105.19 108.55 3hwk n GLY 173 Ca 0.17 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.13 3.09 1.07 0.99 1.43 -0.78 -5.09 118.68 117.26 3hwk s LEU 174 Ca 0.29 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3hwk s LEU 174 Cb 0.20 -1.75 0.23 0.00 0.03 0.00 0.00 46.19 44.90 3hwk s LEU 174 CO 0.38 0.30 1.20 -0.83 0.23 0.00 0.00 176.35 177.62 3hwk s GLY 175 N -1.26 1.66 0.10 -3.19 0.00 -1.26 -4.63 107.32 98.74 3hwk s GLY 175 Ca 0.16 -0.98 -0.27 0.00 0.00 0.00 0.00 44.72 43.62 3hwk s GLY 175 CO 0.06 -0.19 1.45 -1.82 0.00 0.00 0.00 173.10 172.59 3hwk h TYR 176 N -2.07 -1.35 -0.30 1.90 5.03 -1.98 0.10 116.97 118.30 3hwk h TYR 176 Ca -0.46 0.06 -0.01 0.00 2.58 0.00 0.00 58.73 60.90 3hwk h TYR 176 Cb 1.28 0.62 -0.01 0.00 1.55 0.00 0.00 36.73 40.16 3hwk h TYR 176 CO -1.41 -0.42 0.15 0.00 -1.32 0.00 0.00 178.16 175.16 3hwk h ALA 177 N -0.40 0.38 -0.50 1.82 0.00 -1.96 -2.16 119.26 116.44 3hwk h ALA 177 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hwk h ALA 177 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hwk h ALA 177 CO -0.42 -0.07 0.07 1.96 0.00 0.00 0.00 179.25 180.79 3hwk h GLN 178 N 0.35 0.84 -0.78 0.00 4.20 -1.88 -2.77 115.11 115.07 3hwk h GLN 178 Ca 0.10 -0.23 0.06 0.00 0.06 0.00 0.00 58.65 58.64 3hwk h GLN 178 Cb 0.10 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3hwk h GLN 178 CO -0.01 0.84 0.47 -0.97 -0.67 0.00 0.00 178.83 178.48 3hwk h ASN 179 N 0.71 0.72 -0.51 1.46 -1.24 -0.55 -0.05 115.58 116.12 3hwk h ASN 179 Ca 0.15 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.07 3hwk h ASN 179 Cb 0.42 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 3hwk h ASN 179 CO 0.01 0.47 -0.09 0.15 -1.29 0.00 0.00 177.43 176.68 3hwk h PHE 180 N 0.86 1.08 -0.42 0.67 3.04 -1.25 0.69 116.94 121.61 3hwk h PHE 180 Ca 0.34 -0.22 -0.06 0.00 3.98 0.00 0.00 57.97 62.01 3hwk h PHE 180 Cb 0.16 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 3hwk h PHE 180 CO -0.05 1.02 0.04 -0.07 -2.02 0.00 0.00 178.31 177.22 3hwk h LEU 181 N 0.84 0.70 -0.58 0.59 3.38 -1.22 -0.95 115.31 118.07 3hwk h LEU 181 Ca 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hwk h LEU 181 Cb 0.65 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hwk h LEU 181 CO 0.04 0.81 0.27 -0.74 0.09 0.00 0.00 178.44 178.91 3hwk h HIS 182 N 0.57 0.84 0.00 1.13 2.76 -0.80 0.11 115.15 119.75 3hwk h HIS 182 Ca 0.12 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3hwk h HIS 182 Cb 0.43 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3hwk h HIS 182 CO 0.03 0.65 -0.21 0.52 -1.30 0.00 0.00 177.93 177.62 3hwk h MET 183 N 0.78 0.00 0.12 5.26 2.86 -0.68 0.26 114.93 123.54 3hwk h MET 183 Ca 0.20 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.67 3hwk h MET 183 Cb 0.13 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.81 3hwk h MET 183 CO -0.02 0.21 -0.74 0.00 1.06 0.00 0.00 176.91 177.42 3hwk n PHE 185 N -4.18 0.00 -0.83 0.00 3.72 -0.03 -4.90 117.46 111.24 3hwk n PHE 185 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3hwk n PHE 185 Cb 0.78 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 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 1.39 0.87 3.51 1.37 0.00 0.91 -4.99 105.19 108.25 3hwk n GLY 186 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.17 0.54 -0.04 1.61 2.12 -1.25 -5.00 118.70 116.50 3hwk s GLU 187 Ca 0.00 1.20 -0.30 0.00 0.36 0.00 0.00 54.97 56.23 3hwk s GLU 187 Cb 0.00 0.41 -0.07 0.00 0.26 0.00 0.00 34.13 34.73 3hwk s GLU 187 CO 0.00 -0.19 1.83 0.08 -0.54 0.00 0.00 175.26 176.44 3hwk s VAL 188 N 2.24 3.30 0.74 3.70 1.01 -1.26 -4.42 120.40 125.70 3hwk s VAL 188 Ca -0.07 0.36 -0.12 0.00 0.00 0.00 0.00 61.98 62.15 3hwk s VAL 188 Cb -0.09 -3.25 0.18 0.00 0.00 0.00 0.00 36.38 33.21 3hwk s VAL 188 CO -0.17 -0.05 0.84 -0.81 0.00 0.00 0.00 175.10 174.91 3hwk n PRO 189 N 7.45 -1.53 -1.10 2.72 -0.04 -1.26 -5.02 135.00 136.23 3hwk n PRO 189 Ca 0.19 -1.32 -0.32 0.00 -0.04 0.00 0.00 63.50 62.01 3hwk n PRO 189 Cb 0.42 -1.01 0.12 0.00 -0.04 0.00 0.00 33.50 33.00 3hwk n PRO 189 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hwk s GLU 190 N -4.87 1.73 0.58 0.54 -1.05 -1.26 -4.71 118.70 109.66 3hwk s GLU 190 Ca 0.50 1.50 0.28 0.00 -0.15 0.00 0.00 54.97 57.10 3hwk s GLU 190 Cb -0.03 -1.81 1.61 0.00 -0.44 0.00 0.00 34.13 33.46 3hwk s GLU 190 CO 0.37 -2.09 2.08 1.15 0.95 0.00 0.00 175.26 177.71 3hwk h THR 191 N -1.16 0.49 -0.32 1.83 2.02 -1.99 -0.97 112.91 112.82 3hwk h THR 191 Ca -0.45 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 3hwk h THR 191 Cb 1.26 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.49 3hwk h THR 191 CO 0.47 0.00 -0.50 0.00 0.37 0.00 0.00 175.52 175.86 3hwk h ALA 192 N 1.74 0.50 -0.13 6.16 0.00 -1.96 -1.21 119.26 124.36 3hwk h ALA 192 Ca 0.11 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3hwk h ALA 192 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hwk h ALA 192 CO -0.00 0.68 -0.19 0.28 0.00 0.00 0.00 179.25 180.02 3hwk h VAL 193 N 0.71 1.37 -0.20 0.00 2.07 -1.54 -1.93 116.25 116.72 3hwk h VAL 193 Ca 0.03 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.15 3hwk h VAL 193 Cb 1.10 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 3hwk h VAL 193 CO 0.11 0.41 0.05 0.58 0.02 0.00 0.00 177.57 178.75 3hwk h VAL 194 N -0.05 0.93 -0.63 2.57 2.07 -1.53 -1.19 116.25 118.42 3hwk h VAL 194 Ca 0.01 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3hwk h VAL 194 Cb 0.76 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3hwk h VAL 194 CO 0.04 0.03 0.38 -1.28 0.02 0.00 0.00 177.57 176.76 3hwk h SER 195 N 0.14 0.76 -0.44 0.57 0.87 -1.26 -0.99 113.55 113.20 3hwk h SER 195 Ca 0.09 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 3hwk h SER 195 Cb 0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3hwk h SER 195 CO -0.11 0.60 -0.21 0.00 -0.53 0.00 0.00 176.83 176.58 3hwk h ALA 196 N 1.19 0.73 -0.15 6.23 0.00 -1.23 -1.66 119.26 124.38 3hwk h ALA 196 Ca 0.23 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hwk h ALA 196 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hwk h ALA 196 CO -0.04 0.67 0.07 0.35 0.00 0.00 0.00 179.25 180.30 3hwk h PHE 197 N 0.83 0.21 -1.00 0.00 3.57 -0.94 -1.46 116.94 118.15 3hwk h PHE 197 Ca 0.11 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hwk h PHE 197 Cb 0.78 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 3hwk h PHE 197 CO 0.05 0.25 0.65 1.49 -2.23 0.00 0.00 178.31 178.52 3hwk h GLU 198 N 0.11 1.32 -0.56 1.11 4.81 -1.13 -0.09 114.58 120.15 3hwk h GLU 198 Ca 0.05 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3hwk h GLU 198 Cb 0.12 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3hwk h GLU 198 CO -0.01 0.88 0.34 1.96 -0.73 0.00 0.00 179.01 181.45 3hwk h GLN 199 N 1.35 0.76 -0.56 1.92 4.20 -1.18 -2.01 115.11 119.60 3hwk h GLN 199 Ca 0.36 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 3hwk h GLN 199 Cb -0.14 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.45 3hwk h GLN 199 CO -0.08 0.55 0.33 1.03 -0.67 0.00 0.00 178.83 179.99 3hwk h SER 200 N 0.76 0.69 -0.32 1.46 0.87 -0.53 0.13 113.55 116.60 3hwk h SER 200 Ca 0.20 -0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 3hwk h SER 200 Cb -0.01 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3hwk h SER 200 CO -0.04 0.56 0.22 0.24 -0.53 0.00 0.00 176.83 177.29 3hwk h MET 201 N 0.76 0.11 0.21 2.24 2.86 -0.81 -1.46 114.93 118.84 3hwk h MET 201 Ca 0.20 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.54 3hwk h MET 201 Cb 0.01 -0.02 0.03 0.00 0.06 0.00 0.00 31.60 31.67 3hwk h MET 201 CO -0.04 0.07 -1.34 0.82 1.06 0.00 0.00 176.91 177.49 3hwk h ILE 202 N 0.11 1.27 0.00 -1.22 2.04 -0.54 -3.18 117.51 116.00 3hwk h ILE 202 Ca 0.15 -2.61 -0.04 0.00 1.00 0.00 0.00 64.86 63.36 3hwk h ILE 202 Cb 0.44 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 3hwk h ILE 202 CO -0.02 0.78 -0.20 -0.07 0.00 0.00 0.00 178.15 178.64 3hwk h LEU 203 N -0.03 0.00 -0.73 1.44 3.38 -0.71 -2.81 115.31 115.84 3hwk h LEU 203 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hwk h LEU 203 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 3hwk h LEU 203 CO 0.21 0.20 -0.29 -1.22 0.09 0.00 0.00 178.44 177.44 3hwk n TYR 204 N -3.68 0.00 0.00 1.13 4.01 -0.57 -4.59 117.16 113.47 3hwk n TYR 204 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3hwk n TYR 204 Cb 0.32 -0.07 0.30 0.00 -0.31 0.00 0.00 39.34 39.58 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 3.84 1.38 -1.92 -0.72 0.00 -1.47 -3.31 119.26 117.06 3hwk h ALA 205 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hwk h ALA 205 Cb 0.59 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.02 3hwk h ALA 205 CO 0.00 0.43 0.18 -2.00 0.00 0.00 0.00 179.25 177.86 3hwk s GLU 206 N -4.97 0.76 -0.39 0.00 2.56 -1.26 -0.87 118.70 114.53 3hwk s GLU 206 Ca -0.07 0.95 0.09 0.00 0.00 0.00 0.00 54.97 55.94 3hwk s GLU 206 Cb 0.15 0.34 0.37 0.00 2.00 0.00 0.00 34.13 37.00 3hwk s GLU 206 CO 0.76 -0.10 1.35 1.58 -0.56 0.00 0.00 175.26 178.30 3hwk n HIS 207 N 2.83 -2.30 -4.80 5.30 -0.00 -1.26 -5.06 115.22 109.92 3hwk n HIS 207 Ca -0.15 -1.82 0.00 0.00 0.46 0.00 0.00 57.72 56.22 3hwk n HIS 207 Cb 0.56 1.57 0.00 0.00 -0.12 0.00 0.00 29.99 32.00 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 -0.68 0.68 2.30 1.57 0.00 -1.26 -3.69 105.19 104.10 3hwk n GLY 208 Ca -0.06 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 1.14 -0.50 1.61 3.01 -1.26 -4.77 117.46 116.69 3hwk n PHE 209 Ca 0.00 -1.81 -0.28 0.00 1.01 0.00 0.00 57.45 56.37 3hwk n PHE 209 Cb 0.00 -1.39 0.26 0.00 -0.01 0.00 0.00 39.48 38.34 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 0.80 0.90 0.19 4.37 2.20 -1.24 -4.60 114.94 117.55 3hwk s ASN 210 Ca 0.58 1.59 -0.12 0.00 -0.94 0.00 0.00 52.86 53.96 3hwk s ASN 210 Cb 0.35 -2.36 0.17 0.00 -2.00 0.00 0.00 41.25 37.41 3hwk s ASN 210 CO -0.14 -4.26 1.79 0.00 -2.94 0.00 0.00 177.10 171.54 3hwk h ALA 211 N -2.67 0.71 -0.33 3.54 0.00 -1.95 0.15 119.26 118.70 3hwk h ALA 211 Ca -0.61 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 3hwk h ALA 211 Cb 1.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3hwk h ALA 211 CO 0.49 -0.07 -0.44 0.66 0.00 0.00 0.00 179.25 179.89 3hwk h SER 212 N 0.53 0.94 -0.51 0.00 4.64 -1.88 0.44 113.55 117.70 3hwk h SER 212 Ca 0.24 -0.45 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 3hwk h SER 212 Cb 0.16 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3hwk h SER 212 CO -0.17 1.24 0.09 0.74 -0.87 0.00 0.00 176.83 177.86 3hwk h THR 213 N 0.69 1.25 -0.48 2.95 2.02 -1.76 -1.66 112.91 115.93 3hwk h THR 213 Ca 0.04 -0.92 -0.12 0.00 0.77 0.00 0.00 66.41 66.18 3hwk h THR 213 Cb 1.03 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 3hwk h THR 213 CO 0.10 0.33 -0.17 0.15 0.37 0.00 0.00 175.52 176.31 3hwk h PHE 214 N 0.73 1.04 -0.59 3.16 3.57 -0.35 -1.19 116.94 123.32 3hwk h PHE 214 Ca 0.16 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 61.52 3hwk h PHE 214 Cb 0.39 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 3hwk h PHE 214 CO 0.03 1.01 0.21 0.00 -2.23 0.00 0.00 178.31 177.32 3hwk h ALA 215 N 0.99 0.74 -0.86 2.41 0.00 0.01 -0.03 119.26 122.53 3hwk h ALA 215 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hwk h ALA 215 Cb 0.71 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3hwk h ALA 215 CO 0.05 -0.21 0.56 0.00 0.00 0.00 0.00 179.25 179.65 3hwk h ALA 216 N 1.41 1.36 -0.26 0.00 0.00 -0.66 -2.28 119.26 118.83 3hwk h ALA 216 Ca 0.30 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 216 Cb 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hwk h ALA 216 CO -0.31 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 178.98 3hwk h ARG 217 N 1.18 0.83 -0.26 0.00 3.08 -0.47 -1.37 114.38 117.37 3hwk h ARG 217 Ca 0.31 -0.55 0.02 0.00 0.07 0.00 0.00 59.98 59.84 3hwk h ARG 217 Cb -0.11 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hwk h ARG 217 CO -0.07 1.18 0.12 0.28 -1.07 0.00 0.00 179.97 180.41 3hwk h VAL 218 N 0.59 0.98 -0.36 2.04 2.07 -0.82 0.37 116.25 121.13 3hwk h VAL 218 Ca 0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3hwk h VAL 218 Cb 1.16 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3hwk h VAL 218 CO 0.12 0.05 0.22 0.58 0.02 0.00 0.00 177.57 178.56 3hwk h VAL 219 N 0.26 1.11 -0.17 2.57 2.07 -1.41 -2.03 116.25 118.65 3hwk h VAL 219 Ca 0.11 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.42 3hwk h VAL 219 Cb 0.04 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3hwk h VAL 219 CO -0.08 0.11 0.12 0.74 0.02 0.00 0.00 177.57 178.47 3hwk h THR 220 N 0.47 0.96 0.00 2.57 2.02 -0.92 -2.76 112.91 115.25 3hwk h THR 220 Ca 0.13 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3hwk h THR 220 Cb -0.02 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3hwk h THR 220 CO -0.03 0.01 0.00 0.77 0.37 0.00 0.00 175.52 176.65 3hwk h SER 221 N 0.08 0.00 -0.00 4.18 4.64 -0.16 0.39 113.55 122.69 3hwk h SER 221 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hwk h SER 221 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3hwk h SER 221 CO -0.01 0.00 -0.01 0.35 -0.87 0.00 0.00 176.83 176.29 3hwk n THR 222 N -2.35 0.00 -1.08 2.95 -2.24 -1.04 -3.76 114.28 106.76 3hwk n THR 222 Ca 0.01 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 3hwk n THR 222 Cb 0.22 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.08 -0.45 -0.77 -0.78 6.02 0.13 -5.06 117.38 116.55 3hwk n GLN 223 Ca 0.19 0.40 -0.28 0.00 -0.01 0.00 0.00 57.00 57.30 3hwk n GLN 223 Cb 0.34 -3.96 0.22 0.00 1.02 0.00 0.00 30.24 27.87 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 -2.45 1.57 0.52 1.08 0.15 -1.23 -5.02 113.70 108.32 3hwk s SER 224 Ca 0.00 1.41 -0.02 0.00 0.70 0.00 0.00 55.95 58.04 3hwk s SER 224 Cb 0.00 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 3hwk s SER 224 CO 0.00 -3.82 0.78 1.51 1.20 0.00 0.00 173.24 172.91 3hwk s ASP 225 N -2.85 5.60 0.38 5.45 -4.77 -1.26 -4.59 116.67 114.63 3hwk s ASP 225 Ca 0.67 0.37 0.05 0.00 -3.30 0.00 0.00 52.55 50.35 3hwk s ASP 225 Cb -0.23 -1.44 0.76 0.00 -1.09 0.00 0.00 42.92 40.92 3hwk s ASP 225 CO 0.62 -0.94 2.02 -0.29 0.70 0.00 0.00 175.17 177.28 3hwk h ILE 226 N 0.11 1.14 -0.40 2.11 2.10 -1.96 -1.13 117.51 119.47 3hwk h ILE 226 Ca -0.45 -0.32 -0.09 0.00 1.08 0.00 0.00 64.86 65.08 3hwk h ILE 226 Cb 1.26 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 3hwk h ILE 226 CO 0.58 0.14 -0.10 1.88 -1.08 0.00 0.00 178.15 179.57 3hwk h TYR 227 N 0.63 0.87 -0.80 2.19 0.05 -1.94 -0.46 116.97 117.51 3hwk h TYR 227 Ca 0.16 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3hwk h TYR 227 Cb -0.01 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 3hwk h TYR 227 CO 0.00 0.91 0.47 0.77 -1.05 0.00 0.00 178.16 179.26 3hwk h SER 228 N 0.59 0.98 0.10 3.88 0.02 -1.82 -0.15 113.55 117.16 3hwk h SER 228 Ca 0.10 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hwk h SER 228 Cb 0.63 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hwk h SER 228 CO 0.04 0.78 -0.05 0.00 -1.14 0.00 0.00 176.83 176.46 3hwk h ALA 229 N 1.25 -0.14 -0.40 3.77 0.00 -1.06 -1.87 119.26 120.81 3hwk h ALA 229 Ca 0.29 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hwk h ALA 229 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hwk h ALA 229 CO -0.05 -0.47 0.25 0.28 0.00 0.00 0.00 179.25 179.26 3hwk h VAL 230 N -0.35 1.08 -0.83 0.00 2.07 -1.02 -1.00 116.25 116.20 3hwk h VAL 230 Ca -0.01 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3hwk h VAL 230 Cb 0.29 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3hwk h VAL 230 CO 0.02 0.09 0.54 0.74 0.02 0.00 0.00 177.57 178.99 3hwk h THR 231 N 0.52 1.00 0.02 2.57 2.02 -0.99 0.28 112.91 118.33 3hwk h THR 231 Ca 0.15 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3hwk h THR 231 Cb -0.04 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3hwk h THR 231 CO -0.05 0.16 -0.01 1.23 0.37 0.00 0.00 175.52 177.22 3hwk h GLY 232 N 0.85 -0.02 0.32 2.16 0.00 -0.70 -2.46 103.07 103.22 3hwk h GLY 232 Ca 0.37 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.79 3hwk h GLY 232 CO -0.14 -0.01 0.04 0.00 0.00 0.00 0.00 176.54 176.43 3hwk h ALA 233 N 0.67 0.46 -0.98 3.60 0.00 -0.51 0.54 119.26 123.04 3hwk h ALA 233 Ca -0.00 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3hwk h ALA 233 Cb 0.29 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3hwk h ALA 233 CO 0.00 -0.36 0.62 0.82 0.00 0.00 0.00 179.25 180.34 3hwk h ILE 234 N 0.15 0.98 -0.33 0.00 2.04 -0.44 0.27 117.51 120.18 3hwk h ILE 234 Ca 0.23 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3hwk h ILE 234 Cb 0.32 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3hwk h ILE 234 CO -0.35 0.19 0.02 1.23 0.00 0.00 0.00 178.15 179.24 3hwk h GLY 235 N 1.02 0.62 0.96 5.37 0.00 -0.47 -2.64 103.07 107.92 3hwk h GLY 235 Ca 0.46 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3hwk h GLY 235 CO -0.21 0.41 0.17 0.00 0.00 0.00 0.00 176.54 176.91 3hwk h ALA 236 N 0.87 0.41 -0.19 3.60 0.00 -0.23 -2.97 119.26 120.74 3hwk h ALA 236 Ca 0.10 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 236 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hwk h ALA 236 CO 0.01 -0.06 0.14 1.25 0.00 0.00 0.00 179.25 180.59 3hwk h LEU 237 N 0.39 0.00 -1.42 0.00 5.85 -0.24 -2.77 115.31 117.13 3hwk h LEU 237 Ca 0.11 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hwk h LEU 237 Cb 0.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3hwk h LEU 237 CO -0.02 0.00 0.28 0.50 -0.34 0.00 0.00 178.44 178.86 3hwk h LYS 238 N 0.00 0.67 -7.05 1.25 3.64 -1.30 0.06 116.57 113.85 3hwk h LYS 238 Ca 0.09 -0.06 -0.55 0.00 -1.27 0.00 0.00 60.65 58.86 3hwk h LYS 238 Cb 0.37 -0.14 0.14 0.00 -0.41 0.00 0.00 32.23 32.19 3hwk h LYS 238 CO -0.00 0.49 0.60 0.20 -2.27 0.00 0.00 179.45 178.47 3hwk s GLY 239 N -3.62 2.88 0.63 5.01 0.00 -1.05 -3.26 107.32 107.91 3hwk s GLY 239 Ca -0.09 1.32 0.38 0.00 0.00 0.00 0.00 44.72 46.33 3hwk s GLY 239 CO 0.75 1.84 2.30 3.21 0.00 0.00 0.00 173.10 181.20 3hwk h ARG 240 N 1.45 0.00 -0.00 2.90 3.08 -1.87 0.22 114.38 120.15 3hwk h ARG 240 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3hwk h ARG 240 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3hwk h ARG 240 CO 0.57 0.01 -0.01 1.28 -1.07 0.00 0.00 179.97 180.75 3hwk n LEU 241 N -3.39 0.18 0.00 3.04 4.77 -1.26 -3.14 117.00 117.20 3hwk n LEU 241 Ca -0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3hwk n LEU 241 Cb 0.10 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hwk n LEU 241 CO 0.24 0.03 0.00 1.57 -1.33 0.00 0.00 177.39 177.90 3hwk n HIS 242 N -0.95 0.00 0.31 -1.77 -0.00 0.68 -4.96 115.22 108.52 3hwk n HIS 242 Ca 0.20 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.57 3hwk n HIS 242 Cb 0.18 0.00 1.02 0.00 -0.12 0.00 0.00 29.99 31.07 3hwk n HIS 242 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3hwk h GLY 243 N 0.00 0.00 2.00 1.57 0.00 -1.03 -1.53 103.07 104.08 3hwk h GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hwk h GLY 243 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 3hwk h GLY 244 N 0.00 0.00 2.00 4.60 0.00 -0.76 -2.76 103.07 106.14 3hwk h GLY 244 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3hwk h GLY 244 CO -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.32 3hwk h ALA 245 N 2.07 1.64 -0.40 3.60 0.00 -1.22 -1.96 119.26 122.99 3hwk h ALA 245 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3hwk h ALA 245 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hwk h ALA 245 CO 0.00 0.27 -0.07 -2.95 0.00 0.00 0.00 179.25 176.50 3hwk h ASN 246 N 0.00 0.74 -0.13 0.00 7.08 -1.70 0.81 115.58 122.37 3hwk h ASN 246 Ca -0.00 -0.35 0.00 0.00 -3.08 0.00 0.00 56.30 52.87 3hwk h ASN 246 Cb 0.38 -0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.41 3hwk h ASN 246 CO 0.03 0.92 0.09 -0.08 -2.08 0.00 0.00 177.43 176.30 3hwk h GLU 247 N 0.56 0.18 -0.71 4.14 4.81 -1.73 -3.15 114.58 118.68 3hwk h GLU 247 Ca 0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3hwk h GLU 247 Cb 0.57 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3hwk h GLU 247 CO 0.03 0.14 0.42 0.00 -0.73 0.00 0.00 179.01 178.87 3hwk h ALA 248 N 1.03 1.41 -0.48 2.92 0.00 -1.02 -2.19 119.26 120.94 3hwk h ALA 248 Ca 0.05 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3hwk h ALA 248 Cb -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 3hwk h ALA 248 CO -0.01 0.51 0.16 0.28 0.00 0.00 0.00 179.25 180.19 3hwk h VAL 249 N 0.98 0.82 -0.31 0.00 2.07 -0.81 -0.41 116.25 118.59 3hwk h VAL 249 Ca 0.25 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 3hwk h VAL 249 Cb -0.03 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3hwk h VAL 249 CO -0.05 0.06 0.01 -0.03 0.02 0.00 0.00 177.57 177.58 3hwk h MET 250 N 0.33 0.55 -0.51 1.57 -1.53 -1.42 0.78 114.93 114.68 3hwk h MET 250 Ca 0.23 -0.17 0.09 0.00 -3.44 0.00 0.00 59.70 56.41 3hwk h MET 250 Cb 0.25 -0.05 -0.08 0.00 -0.55 0.00 0.00 31.60 31.17 3hwk h MET 250 CO -0.25 0.67 0.08 0.45 0.14 0.00 0.00 176.91 178.00 3hwk h HIS 251 N 0.35 0.11 -0.45 1.39 3.86 -1.21 -0.46 115.15 118.74 3hwk h HIS 251 Ca 0.09 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3hwk h HIS 251 Cb 0.42 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 3hwk h HIS 251 CO 0.03 -0.04 0.22 -0.44 0.86 0.00 0.00 177.93 178.56 3hwk h ASP 252 N 0.20 0.32 -0.62 2.45 3.32 -0.78 -1.27 116.42 120.04 3hwk h ASP 252 Ca 0.26 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3hwk h ASP 252 Cb 0.37 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3hwk h ASP 252 CO -0.36 0.22 0.29 0.24 -1.72 0.00 0.00 179.24 177.91 3hwk h MET 253 N 0.44 0.94 -0.23 3.56 2.86 -0.13 -1.07 114.93 121.30 3hwk h MET 253 Ca 0.20 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 3hwk h MET 253 Cb 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3hwk h MET 253 CO -0.14 0.75 -0.36 0.82 1.06 0.00 0.00 176.91 179.03 3hwk h ILE 254 N 0.93 1.29 -0.45 -1.22 2.04 -0.77 -1.90 117.51 117.43 3hwk h ILE 254 Ca 0.22 -1.48 -0.09 0.00 1.00 0.00 0.00 64.86 64.51 3hwk h ILE 254 Cb 0.14 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3hwk h ILE 254 CO -0.03 0.46 -0.08 -0.08 0.00 0.00 0.00 178.15 178.42 3hwk h GLU 255 N 0.42 0.86 -0.45 2.37 4.81 -0.82 -2.99 114.58 118.79 3hwk h GLU 255 Ca 0.04 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3hwk h GLU 255 Cb 0.82 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 3hwk h GLU 255 CO 0.07 0.95 0.23 0.82 -0.73 0.00 0.00 179.01 180.35 3hwk h ILE 256 N 0.70 0.97 0.00 2.32 2.04 -1.06 -3.46 117.51 119.02 3hwk h ILE 256 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3hwk h ILE 256 Cb 0.62 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3hwk h ILE 256 CO 0.04 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.88 3hwk n GLY 257 N -1.23 1.29 3.03 5.37 0.00 -0.73 -4.67 105.19 108.25 3hwk n GLY 257 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.18 0.58 1.61 2.15 -1.26 -5.02 116.67 114.55 3hwk s ASP 258 Ca 0.00 0.35 0.30 0.00 0.43 0.00 0.00 52.55 53.64 3hwk s ASP 258 Cb 0.00 0.33 1.39 0.00 -0.30 0.00 0.00 42.92 44.34 3hwk s ASP 258 CO 0.00 -0.08 1.76 1.55 -0.17 0.00 0.00 175.17 178.23 3hwk h PRO 259 N 6.18 0.00 -0.29 4.34 0.13 -1.88 0.36 132.00 140.85 3hwk h PRO 259 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 3hwk h PRO 259 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3hwk h PRO 259 CO 0.40 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 177.97 3hwk h ALA 260 N 1.27 1.13 0.00 -0.56 0.00 -1.96 -3.01 119.26 116.13 3hwk h ALA 260 Ca 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hwk h ALA 260 Cb 1.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3hwk h ALA 260 CO -0.00 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.88 3hwk n ASN 261 N -4.15 0.64 0.24 0.00 3.02 0.12 -4.33 115.26 110.80 3hwk n ASN 261 Ca 0.00 0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 54.99 3hwk n ASN 261 Cb 0.38 -0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 38.72 3hwk n ASN 261 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hwk h ALA 262 N 2.48 -0.65 -0.67 5.41 0.00 -1.56 -2.28 119.26 122.00 3hwk h ALA 262 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 54.90 3hwk h ALA 262 Cb 0.56 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 3hwk h ALA 262 CO 0.00 -0.88 0.24 -0.09 0.00 0.00 0.00 179.25 178.52 3hwk h ARG 263 N -0.65 0.39 0.12 0.00 2.43 -1.80 -1.02 114.38 113.86 3hwk h ARG 263 Ca -0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3hwk h ARG 263 Cb 0.55 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3hwk h ARG 263 CO 0.03 0.26 -0.06 1.49 -1.51 0.00 0.00 179.97 180.18 3hwk h GLU 264 N 0.41 -0.16 -0.82 0.20 4.57 -1.81 -1.61 114.58 115.35 3hwk h GLU 264 Ca 0.35 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.74 3hwk h GLU 264 Cb 0.49 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 28.98 3hwk h GLU 264 CO -0.36 0.25 0.22 2.35 -1.18 0.00 0.00 179.01 180.29 3hwk h TRP 265 N -0.62 0.33 -0.29 0.92 7.01 -1.22 -1.01 115.95 121.08 3hwk h TRP 265 Ca -0.02 0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.91 3hwk h TRP 265 Cb 0.48 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.52 3hwk h TRP 265 CO 0.07 -0.15 -0.31 1.25 -2.79 0.00 0.00 178.44 176.51 3hwk h LEU 266 N 0.25 0.76 -0.48 0.65 5.85 -1.13 -2.65 115.31 118.57 3hwk h LEU 266 Ca 0.49 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hwk h LEU 266 Cb 0.93 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3hwk h LEU 266 CO -0.59 1.09 0.30 -0.09 -0.34 0.00 0.00 178.44 178.81 3hwk h ARG 267 N 0.45 0.64 -0.20 1.25 2.43 -0.35 -0.98 114.38 117.64 3hwk h ARG 267 Ca 0.04 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3hwk h ARG 267 Cb 0.88 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 3hwk h ARG 267 CO 0.08 0.46 -0.05 0.00 -1.51 0.00 0.00 179.97 178.94 3hwk h ALA 268 N 1.15 0.12 -0.75 2.80 0.00 -1.23 -0.57 119.26 120.77 3hwk h ALA 268 Ca 0.17 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hwk h ALA 268 Cb -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hwk h ALA 268 CO -0.03 -0.48 0.35 0.87 0.00 0.00 0.00 179.25 179.96 3hwk h LYS 269 N -0.01 1.08 -0.42 0.00 1.57 -1.15 -1.92 116.57 115.72 3hwk h LYS 269 Ca 0.10 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 3hwk h LYS 269 Cb 0.15 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3hwk h LYS 269 CO -0.21 0.83 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.20 3hwk h LEU 270 N 1.07 0.94 -0.78 2.94 3.38 -0.87 -1.77 115.31 120.22 3hwk h LEU 270 Ca 0.26 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3hwk h LEU 270 Cb 0.12 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3hwk h LEU 270 CO -0.03 1.15 0.47 0.00 0.09 0.00 0.00 178.44 180.12 3hwk h ALA 271 N 0.82 1.07 0.00 1.53 0.00 -0.86 0.46 119.26 122.28 3hwk h ALA 271 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hwk h ALA 271 Cb 0.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hwk h ALA 271 CO 0.07 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.03 3hwk n ARG 272 N -4.69 0.62 -1.56 0.00 1.74 -0.74 -4.88 116.66 107.14 3hwk n ARG 272 Ca 0.11 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.00 3hwk n ARG 272 Cb 0.19 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 3hwk n ARG 272 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hwk n LYS 273 N -0.79 -1.48 -2.03 5.56 4.76 0.15 -4.99 118.16 119.34 3hwk n LYS 273 Ca 0.09 1.18 -0.34 0.00 -2.87 0.00 0.00 58.31 56.37 3hwk n LYS 273 Cb 0.04 -5.57 0.02 0.00 -1.84 0.00 0.00 35.03 27.68 3hwk n LYS 273 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hwk s GLU 274 N -3.64 3.09 0.46 1.97 2.02 -0.68 -5.01 118.70 116.91 3hwk s GLU 274 Ca 0.00 1.52 -0.22 0.00 0.02 0.00 0.00 54.97 56.29 3hwk s GLU 274 Cb 0.00 -1.98 -0.08 0.00 0.10 0.00 0.00 34.13 32.17 3hwk s GLU 274 CO 0.00 -1.04 1.08 0.15 0.02 0.00 0.00 175.26 175.47 3hwk s LYS 275 N -3.65 3.86 -0.24 1.61 -0.14 -1.26 -4.70 119.74 115.22 3hwk s LYS 275 Ca 0.70 1.52 -0.08 0.00 -1.36 0.00 0.00 55.97 56.76 3hwk s LYS 275 Cb -0.23 -2.29 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 3hwk s LYS 275 CO 0.34 -0.40 0.08 0.42 -0.76 0.00 0.00 175.35 175.02 3hwk s ILE 276 N -1.77 4.47 0.19 2.17 -1.09 -1.26 -5.06 121.20 118.85 3hwk s ILE 276 Ca 0.64 -0.12 -0.31 0.00 -2.23 0.00 0.00 60.65 58.63 3hwk s ILE 276 Cb -0.21 -3.08 -0.09 0.00 -1.58 0.00 0.00 42.46 37.49 3hwk s ILE 276 CO 0.26 0.35 1.45 -0.04 -1.23 0.00 0.00 174.94 175.73 3hwk s MET 277 N 1.46 4.28 0.00 2.79 -1.94 -1.26 -2.27 119.30 122.36 3hwk s MET 277 Ca 0.06 2.24 0.00 0.00 -1.71 0.00 0.00 55.69 56.28 3hwk s MET 277 Cb -0.15 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.53 3hwk s MET 277 CO 0.04 -0.46 0.00 0.41 -0.01 0.00 0.00 175.02 175.01 3hwk n GLY 278 N 2.94 0.65 3.09 -0.03 0.00 -1.26 -4.76 105.19 105.82 3hwk n GLY 278 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.56 1.14 0.00 1.61 0.40 -0.96 0.15 117.98 117.75 3hwk s PHE 279 Ca 0.00 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 3hwk s PHE 279 Cb 0.00 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.80 3hwk s PHE 279 CO 0.00 -0.02 0.00 0.41 0.70 0.00 0.00 175.22 176.31 3hwk n GLY 280 N 2.74 2.70 3.60 4.36 0.00 -1.24 -4.69 105.19 112.65 3hwk n GLY 280 Ca -0.14 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.10 -0.71 0.25 1.61 2.46 -1.26 -4.75 115.29 111.79 3hwk s HIS 281 Ca 0.00 1.59 0.16 0.00 0.47 0.00 0.00 55.06 57.28 3hwk s HIS 281 Cb 0.00 0.32 0.65 0.00 -0.13 0.00 0.00 32.58 33.43 3hwk s HIS 281 CO 0.00 -0.43 1.74 -0.09 -2.47 0.00 0.00 174.74 173.49 3hwk h ARG 282 N 4.27 0.00 0.00 2.88 9.65 -2.01 -3.39 114.38 125.77 3hwk h ARG 282 Ca -0.28 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.52 3hwk h ARG 282 Cb 1.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 3hwk h ARG 282 CO 0.16 0.42 -0.95 0.28 2.80 0.00 0.00 179.97 182.68 3hwk n VAL 283 N -3.70 1.17 -1.92 0.20 0.31 -1.26 -4.97 118.33 108.15 3hwk n VAL 283 Ca -0.01 0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 3hwk n VAL 283 Cb 0.50 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 3hwk n VAL 283 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3hwk s TYR 284 N -2.40 3.03 0.00 3.52 2.02 -1.26 -4.91 117.35 117.35 3hwk s TYR 284 Ca -0.17 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 3hwk s TYR 284 Cb 0.04 -3.93 0.00 0.00 -0.40 0.00 0.00 41.96 37.67 3hwk s TYR 284 CO 0.23 -3.36 0.00 0.54 -1.57 0.00 0.00 175.55 171.39 3hwk n ARG 285 N 3.59 2.50 -1.13 -0.62 5.12 -1.26 -4.54 116.66 120.33 3hwk n ARG 285 Ca 0.12 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.09 3hwk n ARG 285 Cb 0.38 -0.79 0.11 0.00 -1.16 0.00 0.00 32.46 31.00 3hwk n ARG 285 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hwk n HIS 286 N -1.23 0.07 0.00 -1.55 8.25 -1.26 -4.87 115.22 114.62 3hwk n HIS 286 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 3hwk n HIS 286 Cb 0.00 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 -0.27 3.41 3.67 -1.41 0.00 -1.26 -5.04 105.19 104.29 3hwk n GLY 287 Ca 0.12 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 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 7.16 0.50 1.61 -1.08 -1.26 -4.86 116.67 118.74 3hwk s ASP 288 Ca 0.00 1.44 0.34 0.00 -0.52 0.00 0.00 52.55 53.81 3hwk s ASP 288 Cb 0.00 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.39 3hwk s ASP 288 CO 0.00 -0.53 1.75 -1.28 0.52 0.00 0.00 175.17 175.62 3hwk h SER 289 N 7.26 0.13 1.01 -0.34 0.87 -1.96 -1.67 113.55 118.85 3hwk h SER 289 Ca -0.26 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3hwk h SER 289 Cb 1.11 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3hwk h SER 289 CO 0.90 -0.00 -0.93 0.03 -0.53 0.00 0.00 176.83 176.30 3hwk h ARG 290 N 0.09 0.00 -0.04 2.24 3.08 -1.92 -3.41 114.38 114.43 3hwk h ARG 290 Ca 0.65 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.70 3hwk h ARG 290 Cb 2.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.38 3hwk h ARG 290 CO -0.12 0.00 0.02 0.28 -1.07 0.00 0.00 179.97 179.08 3hwk h VAL 291 N 0.00 1.08 -0.77 2.04 2.07 -1.67 -2.98 116.25 116.03 3hwk h VAL 291 Ca 0.00 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3hwk h VAL 291 Cb 0.97 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3hwk h VAL 291 CO 0.00 0.07 0.49 -0.65 0.02 0.00 0.00 177.57 177.50 3hwk h PRO 292 N -0.03 0.94 -0.28 1.57 0.11 -1.79 0.53 132.00 133.04 3hwk h PRO 292 Ca 0.02 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 66.14 3hwk h PRO 292 Cb 0.09 -0.21 -0.08 0.00 0.11 0.00 0.00 31.00 30.91 3hwk h PRO 292 CO -0.00 0.62 -0.28 1.15 -0.21 0.00 0.00 178.00 179.28 3hwk h THR 293 N 0.97 0.32 -0.19 -1.15 2.02 -1.85 -1.27 112.91 111.75 3hwk h THR 293 Ca 0.30 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.37 3hwk h THR 293 Cb -0.01 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3hwk h THR 293 CO -0.10 0.00 -0.35 -0.03 0.37 0.00 0.00 175.52 175.41 3hwk h MET 294 N -0.27 0.41 -0.76 6.66 1.85 -1.06 -1.73 114.93 120.02 3hwk h MET 294 Ca 0.15 -0.18 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 3hwk h MET 294 Cb 0.50 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 3hwk h MET 294 CO -0.44 0.71 0.34 -0.22 -0.40 0.00 0.00 176.91 176.90 3hwk h LYS 295 N 0.35 1.12 -0.51 0.39 3.64 0.25 0.10 116.57 121.92 3hwk h LYS 295 Ca 0.04 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3hwk h LYS 295 Cb 0.78 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3hwk h LYS 295 CO 0.06 0.89 0.02 0.00 -2.27 0.00 0.00 179.45 178.15 3hwk h ARG 296 N 1.09 0.84 -0.29 1.90 3.08 -0.73 -0.82 114.38 119.44 3hwk h ARG 296 Ca 0.26 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3hwk h ARG 296 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3hwk h ARG 296 CO -0.03 0.82 -0.00 0.00 -1.07 0.00 0.00 179.97 179.70 3hwk h ALA 297 N 1.24 0.39 -0.71 0.04 0.00 -0.97 -1.24 119.26 118.00 3hwk h ALA 297 Ca 0.15 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3hwk h ALA 297 Cb 0.44 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.02 3hwk h ALA 297 CO 0.02 0.13 0.14 1.25 0.00 0.00 0.00 179.25 180.79 3hwk h LEU 298 N 0.29 -0.05 -0.84 0.00 5.85 -0.61 -1.58 115.31 118.37 3hwk h LEU 298 Ca 0.08 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 3hwk h LEU 298 Cb 0.43 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3hwk h LEU 298 CO 0.01 -0.06 0.11 -0.33 -0.34 0.00 0.00 178.44 177.84 3hwk h GLU 299 N 0.23 0.98 -0.18 1.25 5.08 -0.73 0.23 114.58 121.45 3hwk h GLU 299 Ca 0.40 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3hwk h GLU 299 Cb 0.67 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3hwk h GLU 299 CO -0.52 0.90 0.04 0.00 -1.00 0.00 0.00 179.01 178.43 3hwk h ARG 300 N 0.93 0.29 -0.44 2.33 3.08 -0.79 -2.10 114.38 117.67 3hwk h ARG 300 Ca 0.19 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3hwk h ARG 300 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3hwk h ARG 300 CO 0.01 0.44 0.09 0.28 -1.07 0.00 0.00 179.97 179.71 3hwk h VAL 301 N 0.09 1.20 -0.78 2.04 2.07 -1.18 -2.91 116.25 116.78 3hwk h VAL 301 Ca 0.06 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3hwk h VAL 301 Cb 0.28 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3hwk h VAL 301 CO 0.00 0.27 0.49 1.23 0.02 0.00 0.00 177.57 179.58 3hwk h GLY 302 N 0.88 1.11 1.72 2.17 0.00 -0.67 -0.20 103.07 108.09 3hwk h GLY 302 Ca 0.15 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3hwk h GLY 302 CO 0.00 0.43 -0.36 -0.91 0.00 0.00 0.00 176.54 175.70 3hwk h THR 303 N 1.06 1.29 -0.01 4.70 1.35 -1.19 -2.48 112.91 117.63 3hwk h THR 303 Ca 0.28 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 3hwk h THR 303 Cb -0.07 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3hwk h THR 303 CO -0.06 0.43 -0.34 1.33 -0.25 0.00 0.00 175.52 176.64 3hwk n VAL 304 N -4.06 0.00 -1.52 6.82 0.24 -1.06 -4.41 118.33 114.33 3hwk n VAL 304 Ca -0.01 -0.14 0.06 0.00 -2.04 0.00 0.00 64.34 62.21 3hwk n VAL 304 Cb 0.45 0.55 0.09 0.00 -1.47 0.00 0.00 33.84 33.46 3hwk n VAL 304 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hwk n ARG 305 N -0.64 0.78 -3.49 7.34 5.12 -0.11 -5.02 116.66 120.64 3hwk n ARG 305 Ca 0.11 -2.05 -0.21 0.00 -1.93 0.00 0.00 57.85 53.77 3hwk n ARG 305 Cb 0.37 -1.08 0.08 0.00 -1.16 0.00 0.00 32.46 30.67 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 -0.80 -4.82 -1.63 0.55 2.03 -1.08 -4.94 116.55 105.86 3hwk n ASP 306 Ca 0.10 -0.54 -0.15 0.00 0.52 0.00 0.00 54.79 54.72 3hwk n ASP 306 Cb 0.69 -4.88 0.15 0.00 -0.72 0.00 0.00 41.12 36.36 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 -1.68 5.22 0.32 0.27 0.00 -0.96 -4.71 105.19 103.66 3hwk n GLY 307 Ca -0.09 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 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 1.32 0.99 -0.62 1.61 5.75 -1.92 -2.37 115.11 119.86 3hwk h GLN 308 Ca 0.36 -0.18 0.13 0.00 -0.15 0.00 0.00 58.65 58.81 3hwk h GLN 308 Cb 1.70 -0.16 -0.10 0.00 1.07 0.00 0.00 27.48 30.00 3hwk h GLN 308 CO 0.73 0.83 0.09 -0.09 -2.65 0.00 0.00 178.83 177.74 3hwk h ARG 309 N 0.96 0.20 -0.13 1.69 2.43 -1.99 0.17 114.38 117.71 3hwk h ARG 309 Ca 0.22 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 3hwk h ARG 309 Cb 0.24 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3hwk h ARG 309 CO -0.01 0.13 -0.58 -1.49 -1.51 0.00 0.00 179.97 176.51 3hwk h TRP 310 N 0.20 0.53 -0.71 2.20 -0.00 -1.84 -1.79 115.95 114.54 3hwk h TRP 310 Ca 0.33 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 59.01 3hwk h TRP 310 Cb 0.52 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.55 3hwk h TRP 310 CO -0.29 0.89 0.38 -0.07 -0.00 0.00 0.00 178.44 179.35 3hwk h LEU 311 N 0.32 0.89 -0.10 -4.49 3.38 -0.87 -0.67 115.31 113.77 3hwk h LEU 311 Ca 0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3hwk h LEU 311 Cb 1.10 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.63 3hwk h LEU 311 CO 0.10 0.72 -0.47 0.44 0.09 0.00 0.00 178.44 179.33 3hwk h ASP 312 N 1.00 0.58 -0.82 -0.43 3.32 -0.79 -2.13 116.42 117.15 3hwk h ASP 312 Ca 0.25 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3hwk h ASP 312 Cb 0.04 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 3hwk h ASP 312 CO -0.04 1.13 0.41 0.40 -1.72 0.00 0.00 179.24 179.42 3hwk h ILE 313 N 0.07 1.25 0.15 0.35 2.04 -1.29 -0.69 117.51 119.39 3hwk h ILE 313 Ca -0.03 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3hwk h ILE 313 Cb 1.11 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3hwk h ILE 313 CO 0.10 0.29 -0.51 0.22 0.00 0.00 0.00 178.15 178.25 3hwk h TYR 314 N 1.15 -1.47 -0.09 1.37 5.03 -1.11 -0.50 116.97 121.35 3hwk h TYR 314 Ca 0.28 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.67 3hwk h TYR 314 Cb 0.09 0.62 -0.06 0.00 1.55 0.00 0.00 36.73 38.93 3hwk h TYR 314 CO 0.01 -0.58 -0.30 0.37 -1.32 0.00 0.00 178.16 176.34 3hwk h GLN 315 N -0.75 -0.38 -0.22 1.82 4.15 -1.10 -0.08 115.11 118.55 3hwk h GLN 315 Ca -0.01 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3hwk h GLN 315 Cb 0.74 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 3hwk h GLN 315 CO -0.26 -0.25 0.08 0.28 -1.93 0.00 0.00 178.83 176.76 3hwk h VAL 316 N -0.39 1.17 -0.75 2.39 2.07 -1.05 -1.16 116.25 118.53 3hwk h VAL 316 Ca 0.09 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3hwk h VAL 316 Cb 0.52 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3hwk h VAL 316 CO -0.31 0.17 0.48 0.25 0.02 0.00 0.00 177.57 178.18 3hwk h LEU 317 N 0.20 0.87 -0.59 2.57 5.85 -0.95 0.37 115.31 123.62 3hwk h LEU 317 Ca 0.07 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3hwk h LEU 317 Cb 0.19 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3hwk h LEU 317 CO -0.01 0.65 0.08 0.00 -0.34 0.00 0.00 178.44 178.82 3hwk h ALA 318 N 1.26 0.79 -0.38 1.25 0.00 -0.82 -1.34 119.26 120.02 3hwk h ALA 318 Ca 0.27 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3hwk h ALA 318 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hwk h ALA 318 CO -0.06 0.56 -0.32 0.00 0.00 0.00 0.00 179.25 179.43 3hwk h ALA 319 N 1.01 0.55 -0.37 0.00 0.00 -0.76 -1.52 119.26 118.17 3hwk h ALA 319 Ca 0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3hwk h ALA 319 Cb 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hwk h ALA 319 CO 0.02 0.61 0.02 1.05 0.00 0.00 0.00 179.25 180.94 3hwk h GLU 320 N 0.70 0.58 -0.04 0.00 4.11 -0.21 -2.20 114.58 117.52 3hwk h GLU 320 Ca 0.07 -0.12 -0.18 0.00 0.07 0.00 0.00 59.36 59.19 3hwk h GLU 320 Cb 0.91 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3hwk h GLU 320 CO 0.08 0.59 -0.77 0.52 0.07 0.00 0.00 179.01 179.50 3hwk h MET 321 N 0.55 0.31 -0.54 1.06 2.86 -1.01 -1.80 114.93 116.36 3hwk h MET 321 Ca 0.12 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 3hwk h MET 321 Cb 0.33 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3hwk h MET 321 CO 0.01 0.94 -0.04 0.00 1.06 0.00 0.00 176.91 178.88 3hwk h ALA 322 N 0.98 0.90 0.23 6.32 0.00 -1.04 -0.91 119.26 125.74 3hwk h ALA 322 Ca -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hwk h ALA 322 Cb 1.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hwk h ALA 322 CO 0.13 0.64 -0.11 0.77 0.00 0.00 0.00 179.25 180.68 3hwk h SER 323 N 0.88 -0.26 0.05 0.00 0.02 -1.34 -1.61 113.55 111.28 3hwk h SER 323 Ca 0.15 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 3hwk h SER 323 Cb 0.57 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3hwk h SER 323 CO 0.03 0.10 -0.43 0.00 -1.14 0.00 0.00 176.83 175.39 3hwk h ALA 324 N 0.00 0.89 0.00 3.77 0.00 -1.36 -3.40 119.26 119.16 3hwk h ALA 324 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hwk h ALA 324 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hwk h ALA 324 CO 0.05 0.64 -0.39 0.25 0.00 0.00 0.00 179.25 179.80 3hwk n THR 325 N -4.01 0.00 -0.95 0.00 -2.24 -0.37 -5.02 114.28 101.69 3hwk n THR 325 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hwk n THR 325 Cb 0.52 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.04 0.69 3.78 3.38 0.00 -0.61 -5.01 105.19 108.46 3hwk n GLY 326 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.91 4.89 0.27 -0.61 1.01 -1.24 -4.91 121.20 117.69 3hwk s ILE 327 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 60.65 61.88 3hwk s ILE 327 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3hwk s ILE 327 CO 0.00 0.46 0.42 -0.76 0.00 0.00 0.00 174.94 175.05 3hwk s LEU 328 N -0.44 4.22 0.76 2.97 1.43 -1.26 -4.01 118.68 122.35 3hwk s LEU 328 Ca 0.30 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 3hwk s LEU 328 Cb -0.18 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.07 3hwk s LEU 328 CO 0.17 -0.13 1.20 -2.84 0.23 0.00 0.00 176.35 174.98 3hwk s PRO 329 N -4.00 1.96 0.50 1.29 0.02 -1.26 -3.59 135.00 129.91 3hwk s PRO 329 Ca 0.36 1.74 0.08 0.00 0.02 0.00 0.00 61.00 63.19 3hwk s PRO 329 Cb -0.09 -1.81 0.03 0.00 0.02 0.00 0.00 34.50 32.64 3hwk s PRO 329 CO 0.31 -1.97 0.53 0.54 -0.33 0.00 0.00 177.00 176.08 3hwk s ASN 330 N -2.13 5.03 0.48 2.53 2.20 0.12 -4.05 114.94 119.13 3hwk s ASN 330 Ca 0.73 -0.87 0.23 0.00 -0.94 0.00 0.00 52.86 52.02 3hwk s ASN 330 Cb -0.28 -0.07 1.27 0.00 -2.00 0.00 0.00 41.25 40.17 3hwk s ASN 330 CO 0.47 -0.99 1.90 0.25 -2.94 0.00 0.00 177.10 175.80 3hwk h LEU 331 N 0.66 0.20 -1.87 3.54 5.85 -1.93 -1.11 115.31 120.64 3hwk h LEU 331 Ca -0.37 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3hwk h LEU 331 Cb 1.28 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3hwk h LEU 331 CO 0.51 0.08 -0.10 0.44 -0.34 0.00 0.00 178.44 179.03 3hwk h ASP 332 N 0.20 0.00 0.41 1.25 3.32 -1.95 -2.76 116.42 116.89 3hwk h ASP 332 Ca 0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 3hwk h ASP 332 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hwk h ASP 332 CO -0.08 0.10 -0.20 0.15 -1.72 0.00 0.00 179.24 177.49 3hwk h PHE 333 N 0.00 -0.51 0.00 4.55 3.57 -1.40 -2.76 116.94 120.40 3hwk h PHE 333 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3hwk h PHE 333 Cb 0.37 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3hwk h PHE 333 CO 0.00 -0.18 -0.20 -1.00 -2.23 0.00 0.00 178.31 174.69 3hwk h PRO 334 N -0.97 0.00 -0.32 6.41 0.13 -1.72 -3.26 132.00 132.28 3hwk h PRO 334 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3hwk h PRO 334 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3hwk h PRO 334 CO 0.09 0.20 -0.05 1.15 -0.23 0.00 0.00 178.00 179.17 3hwk h THR 335 N 0.00 1.27 -0.20 1.56 2.02 -1.50 -2.82 112.91 113.25 3hwk h THR 335 Ca -0.00 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.15 3hwk h THR 335 Cb 0.56 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3hwk h THR 335 CO 0.03 0.34 -0.34 1.23 0.37 0.00 0.00 175.52 177.15 3hwk h GLY 336 N 0.37 -1.34 2.00 2.16 0.00 -1.53 0.80 103.07 105.52 3hwk h GLY 336 Ca 0.08 0.74 -0.05 0.00 0.00 0.00 0.00 47.33 48.11 3hwk h GLY 336 CO 0.03 -0.36 -0.22 -0.56 0.00 0.00 0.00 176.54 175.43 3hwk h PRO 337 N -0.28 0.00 -0.28 4.80 0.13 -1.73 -1.86 132.00 132.78 3hwk h PRO 337 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 3hwk h PRO 337 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3hwk h PRO 337 CO -0.34 0.22 0.14 0.00 -0.23 0.00 0.00 178.00 177.79 3hwk h ALA 338 N 1.78 0.37 -0.46 -0.56 0.00 -1.05 -0.44 119.26 118.90 3hwk h ALA 338 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3hwk h ALA 338 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hwk h ALA 338 CO 0.03 -0.08 -0.06 1.88 0.00 0.00 0.00 179.25 181.01 3hwk h TYR 339 N 0.33 0.88 -0.15 0.00 -1.99 -0.52 -1.07 116.97 114.45 3hwk h TYR 339 Ca 0.10 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 3hwk h TYR 339 Cb 0.10 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.59 3hwk h TYR 339 CO -0.02 0.84 0.03 -0.92 -0.00 0.00 0.00 178.16 178.09 3hwk h TYR 340 N 0.74 0.25 0.00 4.88 3.20 -1.12 -2.34 116.97 122.58 3hwk h TYR 340 Ca 0.13 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3hwk h TYR 340 Cb 0.54 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3hwk h TYR 340 CO 0.03 0.39 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.61 3hwk h LEU 341 N 0.04 0.00 -0.99 2.82 3.38 -0.91 -1.36 115.31 118.29 3hwk h LEU 341 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hwk h LEU 341 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hwk h LEU 341 CO 0.00 0.26 0.00 0.24 0.09 0.00 0.00 178.44 179.03 3hwk h MET 342 N 0.00 0.00 0.00 1.13 2.86 -0.89 -3.47 114.93 114.56 3hwk h MET 342 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hwk h MET 342 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hwk h MET 342 CO 0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 3hwk n GLY 343 N 0.03 0.64 3.76 8.32 0.00 -0.51 -5.08 105.19 112.33 3hwk n GLY 343 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 2.46 0.26 1.61 0.08 -0.91 -5.00 117.98 114.48 3hwk s PHE 344 Ca 0.00 1.50 -0.30 0.00 0.12 0.00 0.00 56.93 58.26 3hwk s PHE 344 Cb 0.00 -3.49 -0.09 0.00 -0.57 0.00 0.00 43.02 38.87 3hwk s PHE 344 CO 0.00 -2.16 1.00 0.34 -0.10 0.00 0.00 175.22 174.30 3hwk s ASP 345 N -1.51 7.49 0.26 1.36 2.15 -1.26 -4.51 116.67 120.65 3hwk s ASP 345 Ca 0.75 2.06 -0.01 0.00 0.43 0.00 0.00 52.55 55.78 3hwk s ASP 345 Cb -0.31 -2.61 0.57 0.00 -0.30 0.00 0.00 42.92 40.27 3hwk s ASP 345 CO 0.34 0.03 1.70 0.40 -0.17 0.00 0.00 175.17 177.47 3hwk h ILE 346 N 3.09 0.52 0.00 4.11 2.04 -1.95 0.44 117.51 125.76 3hwk h ILE 346 Ca -0.46 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hwk h ILE 346 Cb 1.20 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3hwk h ILE 346 CO 0.67 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.89 3hwk h ALA 347 N 1.65 1.00 -0.11 1.87 0.00 -1.95 -2.39 119.26 119.33 3hwk h ALA 347 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3hwk h ALA 347 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hwk h ALA 347 CO -0.50 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.18 3hwk n SER 348 N -3.08 1.63 -0.28 0.00 7.64 0.14 -4.41 113.62 115.26 3hwk n SER 348 Ca -0.01 -1.63 -0.06 0.00 1.01 0.00 0.00 58.87 58.19 3hwk n SER 348 Cb 0.21 -0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.41 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 2.31 1.14 0.03 1.43 -1.00 -1.48 -2.11 116.94 117.26 3hwk h PHE 349 Ca 0.00 -0.06 -0.24 0.00 2.81 0.00 0.00 57.97 60.47 3hwk h PHE 349 Cb 0.50 -0.35 0.01 0.00 3.61 0.00 0.00 35.95 39.72 3hwk h PHE 349 CO 0.06 0.84 -1.02 1.15 -1.61 0.00 0.00 178.31 177.74 3hwk h THR 350 N 1.11 1.40 -0.58 -1.55 2.02 -1.82 -2.68 112.91 110.81 3hwk h THR 350 Ca 0.26 -2.52 0.05 0.00 0.77 0.00 0.00 66.41 64.97 3hwk h THR 350 Cb 0.15 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 3hwk h THR 350 CO -0.03 0.75 0.38 -0.65 0.37 0.00 0.00 175.52 176.34 3hwk h PRO 351 N 0.22 0.57 -0.62 6.66 0.11 -1.82 -0.22 132.00 136.90 3hwk h PRO 351 Ca -0.10 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3hwk h PRO 351 Cb 1.67 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.63 3hwk h PRO 351 CO 0.18 0.38 0.05 0.82 -0.21 0.00 0.00 178.00 179.21 3hwk h ILE 352 N 0.58 1.26 -0.14 4.15 2.04 -1.26 -2.13 117.51 122.02 3hwk h ILE 352 Ca 0.24 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.06 3hwk h ILE 352 Cb 0.22 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3hwk h ILE 352 CO -0.07 0.40 -0.12 0.15 0.00 0.00 0.00 178.15 178.51 3hwk h PHE 353 N 0.96 -0.29 -0.83 1.37 3.04 -1.06 -2.29 116.94 117.85 3hwk h PHE 353 Ca 0.18 0.02 0.21 0.00 3.98 0.00 0.00 57.97 62.36 3hwk h PHE 353 Cb 0.50 0.15 -0.13 0.00 2.56 0.00 0.00 35.95 39.03 3hwk h PHE 353 CO 0.04 -0.18 0.20 0.28 -2.02 0.00 0.00 178.31 176.63 3hwk h VAL 354 N -0.13 0.38 -0.83 1.41 2.07 -0.74 -0.09 116.25 118.32 3hwk h VAL 354 Ca 0.09 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3hwk h VAL 354 Cb 0.27 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 3hwk h VAL 354 CO -0.22 0.04 0.48 0.24 0.02 0.00 0.00 177.57 178.13 3hwk h MET 355 N 0.22 0.80 0.17 1.57 2.86 -0.80 -1.22 114.93 118.54 3hwk h MET 355 Ca 0.50 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 3hwk h MET 355 Cb 0.95 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3hwk h MET 355 CO -0.61 0.53 -0.08 1.03 1.06 0.00 0.00 176.91 178.84 3hwk h SER 356 N 0.83 -0.19 0.54 1.22 0.87 -1.22 -3.36 113.55 112.23 3hwk h SER 356 Ca 0.39 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3hwk h SER 356 Cb 0.32 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3hwk h SER 356 CO -0.23 0.37 0.00 -1.14 -0.53 0.00 0.00 176.83 175.30 3hwk n ARG 357 N -4.92 0.17 -0.21 2.24 3.00 -0.13 -1.96 116.66 114.86 3hwk n ARG 357 Ca -0.07 0.47 0.21 0.00 -0.00 0.00 0.00 57.85 58.46 3hwk n ARG 357 Cb 0.25 -1.87 0.58 0.00 0.00 0.00 0.00 32.46 31.42 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 0.65 0.16 5.15 6.09 -1.38 -0.13 117.51 128.06 3hwk h ILE 358 Ca 0.00 -0.10 -0.01 0.00 -1.37 0.00 0.00 64.86 63.39 3hwk h ILE 358 Cb 0.27 0.35 0.00 0.00 0.47 0.00 0.00 36.82 37.91 3hwk h ILE 358 CO 0.00 0.05 -0.08 0.71 -3.07 0.00 0.00 178.15 175.76 3hwk h THR 359 N 0.28 0.97 -0.25 2.19 1.35 -1.59 -2.11 112.91 113.75 3hwk h THR 359 Ca 0.44 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 3hwk h THR 359 Cb 1.28 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 3hwk h THR 359 CO -0.12 0.17 0.13 1.23 -0.25 0.00 0.00 175.52 176.68 3hwk h GLY 360 N -0.58 0.38 0.15 5.82 0.00 -0.52 -1.35 103.07 106.97 3hwk h GLY 360 Ca -0.02 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.22 3hwk h GLY 360 CO 0.04 0.17 -0.02 1.49 0.00 0.00 0.00 176.54 178.22 3hwk h TRP 361 N 0.29 -0.08 -0.04 5.60 6.55 -1.06 0.70 115.95 127.91 3hwk h TRP 361 Ca 0.09 0.04 -0.22 0.00 0.95 0.00 0.00 58.89 59.75 3hwk h TRP 361 Cb 0.09 0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 3hwk h TRP 361 CO -0.03 -0.13 -0.87 1.79 -1.05 0.00 0.00 178.44 178.15 3hwk h THR 362 N 0.09 1.37 -0.68 1.49 1.35 -1.26 0.12 112.91 115.39 3hwk h THR 362 Ca 0.25 -2.29 0.10 0.00 -0.55 0.00 0.00 66.41 63.91 3hwk h THR 362 Cb 0.37 2.28 -0.07 0.00 -1.73 0.00 0.00 68.15 69.00 3hwk h THR 362 CO -0.43 0.69 0.32 0.00 -0.25 0.00 0.00 175.52 175.85 3hwk h ALA 363 N 0.76 0.93 -0.09 6.62 0.00 -0.90 -0.45 119.26 126.13 3hwk h ALA 363 Ca -0.06 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3hwk h ALA 363 Cb 1.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3hwk h ALA 363 CO 0.15 -0.10 -0.53 0.45 0.00 0.00 0.00 179.25 179.23 3hwk h HIS 364 N 0.54 0.31 -0.29 0.00 -0.00 -0.27 -2.08 115.15 113.35 3hwk h HIS 364 Ca 0.34 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.37 60.59 3hwk h HIS 364 Cb 0.39 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 3hwk h HIS 364 CO -0.13 0.72 0.11 0.82 -0.00 0.00 0.00 177.93 179.45 3hwk h ILE 365 N 0.19 1.19 -0.59 2.45 2.04 -0.27 -0.28 117.51 122.24 3hwk h ILE 365 Ca 0.00 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3hwk h ILE 365 Cb 1.00 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3hwk h ILE 365 CO 0.08 0.20 0.05 0.24 0.00 0.00 0.00 178.15 178.72 3hwk h MET 366 N 0.32 0.98 -0.46 2.37 2.86 -1.02 0.11 114.93 120.10 3hwk h MET 366 Ca 0.10 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 3hwk h MET 366 Cb 0.21 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3hwk h MET 366 CO -0.01 0.94 0.01 1.49 1.06 0.00 0.00 176.91 180.41 3hwk h GLU 367 N 0.92 0.80 -0.38 1.72 4.81 -1.28 -2.32 114.58 118.84 3hwk h GLU 367 Ca 0.18 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3hwk h GLU 367 Cb 0.47 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3hwk h GLU 367 CO 0.02 0.85 0.23 0.37 -0.73 0.00 0.00 179.01 179.74 3hwk h GLN 368 N 0.65 0.52 0.00 1.92 5.75 -0.61 -2.20 115.11 121.14 3hwk h GLN 368 Ca 0.13 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3hwk h GLN 368 Cb 0.48 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3hwk h GLN 368 CO 0.02 0.39 -0.27 0.00 -2.65 0.00 0.00 178.83 176.32 3hwk h ALA 369 N 1.10 1.49 0.00 3.38 0.00 -0.66 -2.43 119.26 122.12 3hwk h ALA 369 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hwk h ALA 369 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hwk h ALA 369 CO -0.03 0.34 -0.83 1.79 0.00 0.00 0.00 179.25 180.52 3hwk h THR 370 N 0.00 0.00 -2.06 0.00 1.35 -1.24 -3.37 112.91 107.59 3hwk h THR 370 Ca -0.00 -0.83 -0.56 0.00 -0.55 0.00 0.00 66.41 64.47 3hwk h THR 370 Cb 0.50 1.38 -0.40 0.00 -1.73 0.00 0.00 68.15 67.90 3hwk h THR 370 CO 0.03 0.00 -0.99 0.00 -0.25 0.00 0.00 175.52 174.32 3hwk n ALA 371 N -2.06 2.85 -2.57 6.62 0.00 -0.84 -5.10 120.51 119.40 3hwk n ALA 371 Ca 0.01 -3.77 -0.34 0.00 0.00 0.00 0.00 53.44 49.34 3hwk n ALA 371 Cb 0.51 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.83 6.63 -0.11 0.00 2.47 -0.94 -4.79 114.94 116.37 3hwk s ASN 372 Ca 0.38 0.78 -0.10 0.00 0.42 0.00 0.00 52.86 54.34 3hwk s ASN 372 Cb 0.21 -2.17 0.03 0.00 -1.45 0.00 0.00 41.25 37.87 3hwk s ASN 372 CO -0.09 0.14 0.29 0.00 -3.72 0.00 0.00 177.10 173.73 3hwk s ALA 373 N -1.45 -0.72 0.20 1.71 0.00 -1.26 -5.11 121.76 115.12 3hwk s ALA 373 Ca 0.35 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.87 3hwk s ALA 373 Cb -0.14 -0.53 -0.15 0.00 0.00 0.00 0.00 23.12 22.31 3hwk s ALA 373 CO 0.19 -0.15 1.29 -0.11 0.00 0.00 0.00 175.76 176.98 3hwk n LEU 374 N 3.15 2.27 -4.55 0.00 7.94 -1.25 -4.79 117.00 119.78 3hwk n LEU 374 Ca -0.15 1.14 -0.40 0.00 -1.11 0.00 0.00 56.01 55.49 3hwk n LEU 374 Cb 0.57 -1.31 -0.10 0.00 0.53 0.00 0.00 43.42 43.11 3hwk n LEU 374 CO 0.16 -0.90 -0.02 -0.63 -1.11 0.00 0.00 177.39 174.88 3hwk s ILE 375 N -0.07 5.21 -0.40 1.96 1.01 -1.26 -4.99 121.20 122.67 3hwk s ILE 375 Ca 0.72 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.45 3hwk s ILE 375 Cb -0.76 -3.76 0.17 0.00 0.01 0.00 0.00 42.46 38.12 3hwk s ILE 375 CO 0.50 -0.02 0.52 -0.60 0.00 0.00 0.00 174.94 175.34 3hwk s ARG 376 N 1.92 0.75 0.29 2.79 3.00 -1.26 -5.03 118.95 121.42 3hwk s ARG 376 Ca 0.10 -0.55 -0.04 0.00 -1.00 0.00 0.00 55.73 54.24 3hwk s ARG 376 Cb -0.17 -0.26 0.07 0.00 0.00 0.00 0.00 34.95 34.59 3hwk s ARG 376 CO 0.11 -1.20 0.40 -0.35 0.00 0.00 0.00 175.30 174.26 3hwk n PRO 377 N 4.29 -0.22 -4.41 5.12 -0.04 -1.26 -5.10 135.00 133.38 3hwk n PRO 377 Ca 0.11 -0.70 -0.25 0.00 -0.04 0.00 0.00 63.50 62.63 3hwk n PRO 377 Cb 0.52 -0.38 -0.09 0.00 -0.04 0.00 0.00 33.50 33.51 3hwk n PRO 377 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hwk s LEU 378 N 0.00 2.88 0.35 1.53 1.43 -1.26 -5.16 118.68 118.45 3hwk s LEU 378 Ca 0.23 -1.01 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 3hwk s LEU 378 Cb -0.01 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 44.89 3hwk s LEU 378 CO 0.16 -0.16 -0.08 -0.94 0.23 0.00 0.00 176.35 175.57 3hwk s SER 379 N -3.65 3.67 0.00 2.29 1.04 -1.26 -5.08 113.70 110.71 3hwk s SER 379 Ca 0.33 -1.23 0.02 0.00 0.48 0.00 0.00 55.95 55.56 3hwk s SER 379 Cb -0.01 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 3hwk s SER 379 CO 0.18 -0.25 -0.02 0.00 0.98 0.00 0.00 173.24 174.13 3hwk s ALA 380 N -2.66 3.20 -0.16 5.32 0.00 -1.26 -5.11 121.76 121.09 3hwk s ALA 380 Ca 0.33 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 3hwk s ALA 380 Cb 0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 3hwk s ALA 380 CO 0.16 0.64 0.07 -0.47 0.00 0.00 0.00 175.76 176.16 3hwk s TYR 381 N -1.06 3.31 -0.07 0.00 5.04 -1.26 -4.97 117.35 118.34 3hwk s TYR 381 Ca 0.19 0.19 0.13 0.00 -2.44 0.00 0.00 57.07 55.14 3hwk s TYR 381 Cb -0.11 -2.03 0.26 0.00 0.35 0.00 0.00 41.96 40.43 3hwk s TYR 381 CO 0.09 0.30 1.12 0.00 -1.34 0.00 0.00 175.55 175.73 3hwk n GLY 383 N -0.41 1.67 3.74 0.00 0.00 -1.26 -5.03 105.19 103.90 3hwk n GLY 383 Ca 0.09 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 2.06 2.93 0.86 1.61 3.76 -1.26 -4.99 115.29 120.26 3hwk s HIS 384 Ca 0.00 0.83 -0.11 0.00 -0.15 0.00 0.00 55.06 55.63 3hwk s HIS 384 Cb 0.00 -3.94 0.11 0.00 1.11 0.00 0.00 32.58 29.86 3hwk s HIS 384 CO 0.00 -3.22 1.11 -1.83 -0.85 0.00 0.00 174.74 169.94 3hwk s GLU 385 N -0.05 1.49 0.10 1.40 -1.05 -1.26 -4.89 118.70 114.45 3hwk s GLU 385 Ca 0.64 1.22 -0.36 0.00 -0.15 0.00 0.00 54.97 56.32 3hwk s GLU 385 Cb -0.45 -1.81 -0.15 0.00 -0.44 0.00 0.00 34.13 31.28 3hwk s GLU 385 CO 0.42 -2.19 1.47 0.94 0.95 0.00 0.00 175.26 176.85 3hwk n GLN 386 N -3.90 1.60 -4.22 -4.83 7.27 -1.26 -4.97 117.38 107.08 3hwk n GLN 386 Ca 0.09 0.58 -0.13 0.00 0.07 0.00 0.00 57.00 57.62 3hwk n GLN 386 Cb 0.53 -2.28 -0.10 0.00 2.41 0.00 0.00 30.24 30.80 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 0.87 0.97 -0.24 3.69 1.70 -1.26 -5.13 118.95 119.55 3hwk s ARG 387 Ca 0.83 -1.41 -0.20 0.00 -0.47 0.00 0.00 55.73 54.48 3hwk s ARG 387 Cb -0.83 -0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 33.11 3hwk s ARG 387 CO 0.44 0.02 0.61 0.08 -1.08 0.00 0.00 175.30 175.36 3hwk s VAL 388 N -3.48 5.01 0.17 4.99 1.01 -1.26 -5.02 120.40 121.82 3hwk s VAL 388 Ca 0.15 1.10 -0.33 0.00 0.00 0.00 0.00 61.98 62.91 3hwk s VAL 388 Cb 0.04 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 3hwk s VAL 388 CO -0.01 0.06 1.65 -0.11 0.00 0.00 0.00 175.10 176.69 3hwk n LEU 389 N 5.47 3.46 -4.68 3.92 7.94 -1.26 -4.86 117.00 126.99 3hwk n LEU 389 Ca -0.01 1.07 -0.44 0.00 -1.11 0.00 0.00 56.01 55.51 3hwk n LEU 389 Cb 0.49 -1.48 -0.02 0.00 0.53 0.00 0.00 43.42 42.94 3hwk n LEU 389 CO 0.43 -0.10 1.02 -2.65 -1.11 0.00 0.00 177.39 174.97 3hwk n PRO 390 N 3.79 2.08 -0.96 1.96 -0.02 -1.26 -2.49 135.00 138.11 3hwk n PRO 390 Ca 0.17 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3hwk n PRO 390 Cb 0.31 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3hwk n PRO 390 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwk n GLY 391 N 2.02 0.42 0.00 -1.23 0.00 -1.26 -5.34 105.19 99.81 3hwk n GLY 391 Ca 0.11 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.25 3hwk n GLY 391 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73