#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hy1 s LYS 2 N 0.00 4.41 0.52 1.43 -0.14 -1.26 -5.03 119.74 119.66 3hy1 s LYS 2 Ca 0.00 1.72 -0.12 0.00 -1.36 0.00 0.00 55.97 56.21 3hy1 s LYS 2 Cb 0.00 -3.44 -0.06 0.00 -1.68 0.00 0.00 37.83 32.65 3hy1 s LYS 2 CO 0.00 -0.32 0.93 -1.54 -0.76 0.00 0.00 175.35 173.66 3hy1 s SER 3 N 1.24 6.45 0.22 2.83 1.04 -1.26 -4.57 113.70 119.65 3hy1 s SER 3 Ca 0.58 1.36 -0.14 0.00 0.48 0.00 0.00 55.95 58.23 3hy1 s SER 3 Cb -0.27 -2.43 0.26 0.00 0.10 0.00 0.00 66.02 63.67 3hy1 s SER 3 CO 0.26 -0.63 1.61 0.74 0.98 0.00 0.00 173.24 176.20 3hy1 h THR 4 N 0.51 0.27 -0.41 2.02 2.02 -1.95 0.15 112.91 115.52 3hy1 h THR 4 Ca -0.46 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 3hy1 h THR 4 Cb 1.19 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3hy1 h THR 4 CO 0.62 0.00 0.05 0.00 0.37 0.00 0.00 175.52 176.56 3hy1 h ALA 5 N 1.59 1.34 -0.40 6.16 0.00 -1.94 -1.63 119.26 124.38 3hy1 h ALA 5 Ca 0.32 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3hy1 h ALA 5 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hy1 h ALA 5 CO -0.72 0.46 -0.25 0.93 0.00 0.00 0.00 179.25 179.67 3hy1 h GLU 6 N 0.60 0.82 -0.40 0.00 5.08 -1.27 -2.52 114.58 116.90 3hy1 h GLU 6 Ca 0.13 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3hy1 h GLU 6 Cb 0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hy1 h GLU 6 CO 0.00 0.99 -0.03 0.82 -1.00 0.00 0.00 179.01 179.79 3hy1 h ILE 7 N 0.71 1.27 -0.86 3.13 2.04 -0.31 -0.39 117.51 123.10 3hy1 h ILE 7 Ca 0.09 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3hy1 h ILE 7 Cb 0.79 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 3hy1 h ILE 7 CO 0.07 0.36 0.48 -0.09 0.00 0.00 0.00 178.15 178.96 3hy1 h ARG 8 N 0.55 1.20 0.24 2.37 2.43 -1.30 -1.02 114.38 118.85 3hy1 h ARG 8 Ca 0.11 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hy1 h ARG 8 Cb 0.52 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3hy1 h ARG 8 CO 0.03 0.87 -0.11 0.37 -1.51 0.00 0.00 179.97 179.62 3hy1 h GLN 9 N 1.20 -0.31 -0.57 0.20 5.75 -1.26 -2.31 115.11 117.82 3hy1 h GLN 9 Ca 0.30 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.91 3hy1 h GLN 9 Cb 0.02 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.57 3hy1 h GLN 9 CO -0.05 -0.05 0.22 0.00 -2.65 0.00 0.00 178.83 176.29 3hy1 h ALA 10 N 0.17 0.72 -0.14 3.38 0.00 -0.89 0.29 119.26 122.78 3hy1 h ALA 10 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hy1 h ALA 10 Cb 0.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hy1 h ALA 10 CO 0.05 -0.18 0.09 0.35 0.00 0.00 0.00 179.25 179.56 3hy1 h PHE 11 N 0.41 0.18 -0.53 0.00 3.57 -1.17 0.16 116.94 119.56 3hy1 h PHE 11 Ca 0.28 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 3hy1 h PHE 11 Cb 0.31 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3hy1 h PHE 11 CO -0.16 0.12 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.95 3hy1 h LEU 12 N 0.19 0.90 -0.27 0.59 3.38 -0.89 -2.64 115.31 116.57 3hy1 h LEU 12 Ca 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hy1 h LEU 12 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3hy1 h LEU 12 CO -0.01 0.97 0.06 0.44 0.09 0.00 0.00 178.44 179.98 3hy1 h ASP 13 N 0.84 0.42 -0.42 -0.43 5.19 -0.69 -1.57 116.42 119.77 3hy1 h ASP 13 Ca 0.15 -0.25 0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3hy1 h ASP 13 Cb 0.53 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.90 3hy1 h ASP 13 CO 0.03 0.56 0.22 0.15 -3.12 0.00 0.00 179.24 177.08 3hy1 h PHE 14 N 0.27 0.40 0.00 4.55 3.57 -0.53 -0.96 116.94 124.25 3hy1 h PHE 14 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3hy1 h PHE 14 Cb 0.31 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3hy1 h PHE 14 CO 0.02 0.21 -0.27 0.74 -2.23 0.00 0.00 178.31 176.78 3hy1 h PHE 15 N 0.44 0.00 -0.43 0.41 0.04 -1.45 -2.73 116.94 113.22 3hy1 h PHE 15 Ca 0.18 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.85 3hy1 h PHE 15 Cb 0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3hy1 h PHE 15 CO -0.10 0.27 -0.11 1.25 -0.60 0.00 0.00 178.31 179.03 3hy1 h HIS 16 N 0.00 0.93 0.00 -0.55 2.76 -0.22 0.12 115.15 118.19 3hy1 h HIS 16 Ca -0.00 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 57.92 3hy1 h HIS 16 Cb 0.85 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 3hy1 h HIS 16 CO 0.00 0.94 -0.23 0.66 -1.30 0.00 0.00 177.93 178.00 3hy1 h SER 17 N 0.65 0.00 -0.12 3.26 4.64 -1.03 -0.67 113.55 120.29 3hy1 h SER 17 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3hy1 h SER 17 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3hy1 h SER 17 CO 0.04 0.23 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 3hy1 n LYS 18 N -4.08 1.66 -0.85 4.77 4.76 -1.05 -4.85 118.16 118.52 3hy1 n LYS 18 Ca -0.02 -0.59 0.00 0.00 -2.87 0.00 0.00 58.31 54.83 3hy1 n LYS 18 Cb 0.30 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3hy1 n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hy1 n GLY 19 N 0.27 0.51 3.72 0.72 0.00 -0.26 -5.03 105.19 105.12 3hy1 n GLY 19 Ca 0.05 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 3hy1 n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hy1 s HIS 20 N -2.00 3.58 -0.11 1.61 3.76 0.41 -4.73 115.29 117.82 3hy1 s HIS 20 Ca 0.00 1.20 -0.30 0.00 -0.15 0.00 0.00 55.06 55.82 3hy1 s HIS 20 Cb 0.00 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.91 3hy1 s HIS 20 CO 0.00 0.13 1.28 -1.14 -0.85 0.00 0.00 174.74 174.15 3hy1 s GLN 21 N 0.67 4.28 -0.29 1.40 2.00 -0.25 -4.11 119.66 123.35 3hy1 s GLN 21 Ca 0.35 1.72 -0.29 0.00 -2.00 0.00 0.00 55.36 55.15 3hy1 s GLN 21 Cb -0.17 -3.69 0.00 0.00 0.80 0.00 0.00 33.01 29.95 3hy1 s GLN 21 CO 0.17 -0.61 1.25 0.08 -0.50 0.00 0.00 175.29 175.67 3hy1 s VAL 22 N 2.98 4.24 -0.02 1.34 1.01 -1.26 -1.03 120.40 127.65 3hy1 s VAL 22 Ca 0.57 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.99 3hy1 s VAL 22 Cb -0.24 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3hy1 s VAL 22 CO 0.19 -0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.13 3hy1 s VAL 23 N 4.10 3.92 0.41 2.92 1.01 -0.90 -4.95 120.40 126.91 3hy1 s VAL 23 Ca 0.54 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 3hy1 s VAL 23 Cb -0.16 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 3hy1 s VAL 23 CO 0.20 0.46 1.32 0.00 0.00 0.00 0.00 175.10 177.08 3hy1 s ALA 24 N -0.98 3.27 0.34 5.51 0.00 -1.26 -4.52 121.76 124.12 3hy1 s ALA 24 Ca 0.16 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 3hy1 s ALA 24 Cb -0.11 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 3hy1 s ALA 24 CO 0.07 -0.86 1.46 0.45 0.00 0.00 0.00 175.76 176.88 3hy1 n SER 25 N 0.12 3.50 -4.61 0.00 2.88 -1.26 -4.99 113.62 109.25 3hy1 n SER 25 Ca 0.04 1.20 -0.29 0.00 -1.33 0.00 0.00 58.87 58.48 3hy1 n SER 25 Cb 0.43 -1.57 0.14 0.00 -0.75 0.00 0.00 64.21 62.46 3hy1 n SER 25 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hy1 s SER 26 N 0.01 3.66 0.71 -3.46 1.04 -1.26 -5.00 113.70 109.41 3hy1 s SER 26 Ca 0.57 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.59 3hy1 s SER 26 Cb -0.51 -1.09 0.02 0.00 0.10 0.00 0.00 66.02 64.54 3hy1 s SER 26 CO 0.59 -2.43 1.09 -0.94 0.98 0.00 0.00 173.24 172.53 3hy1 s SER 27 N -4.46 5.36 0.55 7.02 1.04 -1.26 -4.67 113.70 117.29 3hy1 s SER 27 Ca 0.66 1.24 0.35 0.00 0.48 0.00 0.00 55.95 58.68 3hy1 s SER 27 Cb -0.10 -2.07 1.48 0.00 0.10 0.00 0.00 66.02 65.43 3hy1 s SER 27 CO 0.52 -1.41 2.02 -0.07 0.98 0.00 0.00 173.24 175.28 3hy1 h LEU 28 N -0.70 0.00 -9.01 2.42 3.38 -1.91 -3.41 115.31 106.09 3hy1 h LEU 28 Ca -0.45 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.92 3hy1 h LEU 28 Cb 1.24 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 3hy1 h LEU 28 CO 0.62 0.00 0.30 -0.69 0.09 0.00 0.00 178.44 178.76 3hy1 s VAL 29 N -3.71 4.92 -0.31 1.22 1.01 -1.26 -0.31 120.40 121.96 3hy1 s VAL 29 Ca 0.01 1.32 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 3hy1 s VAL 29 Cb 0.09 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 3hy1 s VAL 29 CO 0.52 -0.03 0.54 -2.16 0.00 0.00 0.00 175.10 173.97 3hy1 s PRO 30 N 2.66 3.82 0.00 2.72 0.04 -1.26 -4.88 135.00 138.10 3hy1 s PRO 30 Ca 0.30 0.08 0.24 0.00 0.04 0.00 0.00 61.00 61.66 3hy1 s PRO 30 Cb -0.15 -3.74 0.30 0.00 0.04 0.00 0.00 34.50 30.95 3hy1 s PRO 30 CO 0.08 -0.54 1.28 0.72 0.04 0.00 0.00 177.00 178.59 3hy1 n HIS 31 N 5.71 0.00 0.02 0.56 8.25 -1.26 -4.15 115.22 124.35 3hy1 n HIS 31 Ca -0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 3hy1 n HIS 31 Cb 0.49 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.44 3hy1 n HIS 31 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3hy1 h ASN 32 N 1.74 0.74 -4.24 0.41 2.35 -1.93 -3.43 115.58 111.22 3hy1 h ASN 32 Ca 0.00 -0.74 -0.67 0.00 -0.55 0.00 0.00 56.30 54.33 3hy1 h ASN 32 Cb 0.64 -0.23 -0.31 0.00 0.05 0.00 0.00 38.32 38.47 3hy1 h ASN 32 CO 0.00 1.39 -0.88 -1.81 -1.65 0.00 0.00 177.43 174.48 3hy1 s ASP 33 N -7.03 2.90 0.44 5.81 -0.00 -1.26 -4.96 116.67 112.57 3hy1 s ASP 33 Ca -0.11 -0.47 0.25 0.00 -0.00 0.00 0.00 52.55 52.22 3hy1 s ASP 33 Cb 0.05 -0.59 0.81 0.00 -0.00 0.00 0.00 42.92 43.19 3hy1 s ASP 33 CO 0.87 0.26 1.77 1.55 -0.00 0.00 0.00 175.17 179.63 3hy1 h PRO 34 N 5.84 0.00 0.00 8.23 0.13 -1.84 -3.27 132.00 141.10 3hy1 h PRO 34 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3hy1 h PRO 34 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hy1 h PRO 34 CO 0.47 0.17 -0.08 1.15 -0.23 0.00 0.00 178.00 179.48 3hy1 h THR 35 N 0.00 0.40 -3.38 1.56 2.02 -1.93 -3.44 112.91 108.14 3hy1 h THR 35 Ca -0.00 -0.45 -0.66 0.00 0.77 0.00 0.00 66.41 66.07 3hy1 h THR 35 Cb 0.82 1.32 -0.18 0.00 -1.74 0.00 0.00 68.15 68.37 3hy1 h THR 35 CO 0.02 0.08 -0.65 -0.22 0.37 0.00 0.00 175.52 175.13 3hy1 s LEU 36 N -6.96 3.40 -0.02 2.58 2.96 -1.23 -5.04 118.68 114.37 3hy1 s LEU 36 Ca -0.03 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 3hy1 s LEU 36 Cb 0.12 -1.79 -0.15 0.00 0.50 0.00 0.00 46.19 44.87 3hy1 s LEU 36 CO 0.55 0.29 1.03 0.25 -1.32 0.00 0.00 176.35 177.15 3hy1 h LEU 37 N 5.79 -0.31 -7.95 -0.68 5.85 -1.89 -3.43 115.31 112.68 3hy1 h LEU 37 Ca -0.43 -0.22 -0.10 0.00 0.84 0.00 0.00 57.88 57.96 3hy1 h LEU 37 Cb 1.19 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 3hy1 h LEU 37 CO 0.58 0.14 -0.49 -0.36 -0.34 0.00 0.00 178.44 177.97 3hy1 s PHE 38 N -4.03 0.26 0.05 1.25 0.08 -1.26 -4.65 117.98 109.67 3hy1 s PHE 38 Ca -0.13 -0.70 -0.31 0.00 0.12 0.00 0.00 56.93 55.90 3hy1 s PHE 38 Cb 0.01 -0.17 -0.10 0.00 -0.57 0.00 0.00 43.02 42.19 3hy1 s PHE 38 CO 0.48 -0.46 1.90 2.41 -0.10 0.00 0.00 175.22 179.45 3hy1 n THR 39 N 0.15 0.57 -0.01 0.64 -1.04 0.58 -4.82 114.28 110.36 3hy1 n THR 39 Ca -0.16 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3hy1 n THR 39 Cb 0.61 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 3hy1 n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hy1 n ASN 40 N 6.56 0.51 -3.61 8.00 0.23 -1.26 -1.06 115.26 124.62 3hy1 n ASN 40 Ca 0.20 -0.76 -0.15 0.00 -0.53 0.00 0.00 54.58 53.34 3hy1 n ASN 40 Cb 0.37 0.48 -0.06 0.00 -2.08 0.00 0.00 39.78 38.48 3hy1 n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hy1 s ALA 41 N -0.48 -1.29 0.48 -2.53 0.00 -1.26 -4.84 121.76 111.85 3hy1 s ALA 41 Ca 0.00 0.70 0.28 0.00 0.00 0.00 0.00 51.96 52.94 3hy1 s ALA 41 Cb 0.00 0.21 1.60 0.00 0.00 0.00 0.00 23.12 24.93 3hy1 s ALA 41 CO 0.00 -0.41 2.15 0.78 0.00 0.00 0.00 175.76 178.28 3hy1 h GLY 42 N 3.10 0.00 2.00 0.00 0.00 -1.90 -2.61 103.07 103.66 3hy1 h GLY 42 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3hy1 h GLY 42 CO 0.41 0.00 0.00 1.15 0.00 0.00 0.00 176.54 178.10 3hy1 n MET 43 N -3.71 0.18 -0.19 4.80 0.00 -1.26 -4.13 117.12 112.80 3hy1 n MET 43 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 57.70 57.87 3hy1 n MET 43 Cb 0.18 -1.72 0.09 0.00 0.00 0.00 0.00 33.22 31.77 3hy1 n MET 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3hy1 h ASN 44 N 0.00 -0.22 0.66 3.17 -0.26 -1.89 0.28 115.58 117.32 3hy1 h ASN 44 Ca 0.00 0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3hy1 h ASN 44 Cb 0.61 0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3hy1 h ASN 44 CO 0.00 -0.09 0.00 0.00 -1.06 0.00 0.00 177.43 176.28 3hy1 n GLN 45 N -5.25 0.07 -0.15 0.81 10.64 -1.26 -2.23 117.38 120.02 3hy1 n GLN 45 Ca 0.08 0.28 0.06 0.00 -1.83 0.00 0.00 57.00 55.60 3hy1 n GLN 45 Cb 0.33 -1.63 0.14 0.00 -0.86 0.00 0.00 30.24 28.22 3hy1 n GLN 45 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hy1 n PHE 46 N -1.77 0.40 -0.24 2.61 3.72 0.85 -4.74 117.46 118.29 3hy1 n PHE 46 Ca 0.03 -0.38 -0.04 0.00 -0.05 0.00 0.00 57.45 57.01 3hy1 n PHE 46 Cb 0.21 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 3hy1 n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hy1 h LYS 47 N 2.33 -0.12 0.00 -1.08 3.64 -0.70 0.18 116.57 120.81 3hy1 h LYS 47 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hy1 h LYS 47 Cb 0.70 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3hy1 h LYS 47 CO 0.00 -0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 176.85 3hy1 n ASP 48 N -5.44 0.67 -0.05 4.20 8.00 -1.26 -2.78 116.55 119.88 3hy1 n ASP 48 Ca 0.05 0.61 -0.14 0.00 0.71 0.00 0.00 54.79 56.02 3hy1 n ASP 48 Cb 0.36 -0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 40.62 3hy1 n ASP 48 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hy1 h VAL 49 N 0.00 1.36 -0.46 2.53 2.07 -1.08 0.20 116.25 120.86 3hy1 h VAL 49 Ca 0.00 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 3hy1 h VAL 49 Cb 0.54 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3hy1 h VAL 49 CO 0.00 0.45 0.25 -0.26 0.02 0.00 0.00 177.57 178.03 3hy1 h PHE 50 N 0.08 0.61 0.00 1.57 0.04 -1.31 -1.37 116.94 116.55 3hy1 h PHE 50 Ca 0.01 -0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3hy1 h PHE 50 Cb 0.86 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3hy1 h PHE 50 CO 0.10 0.43 -0.37 -0.07 -0.60 0.00 0.00 178.31 177.80 3hy1 h LEU 51 N 0.64 0.00 0.00 1.54 3.38 -1.45 -3.42 115.31 116.00 3hy1 h LEU 51 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hy1 h LEU 51 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hy1 h LEU 51 CO -0.03 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.49 3hy1 n GLY 52 N 0.27 0.72 0.11 0.83 0.00 -0.52 -4.62 105.19 101.97 3hy1 n GLY 52 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hy1 n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hy1 h LEU 53 N 0.00 0.19 -8.42 0.99 3.38 -0.94 -3.45 115.31 107.06 3hy1 h LEU 53 Ca 0.00 -0.16 -0.69 0.00 0.09 0.00 0.00 57.88 57.13 3hy1 h LEU 53 Cb 0.00 -0.06 -0.32 0.00 0.09 0.00 0.00 40.66 40.37 3hy1 h LEU 53 CO 0.00 0.98 -0.88 -0.62 0.09 0.00 0.00 178.44 178.01 3hy1 s ASP 54 N -6.89 3.09 -0.09 -0.43 -1.08 -0.16 -4.97 116.67 106.16 3hy1 s ASP 54 Ca -0.02 -0.53 0.04 0.00 -0.52 0.00 0.00 52.55 51.52 3hy1 s ASP 54 Cb 0.10 -1.11 -0.01 0.00 -1.46 0.00 0.00 42.92 40.44 3hy1 s ASP 54 CO 0.82 0.21 -0.22 -0.75 0.52 0.00 0.00 175.17 175.75 3hy1 s LYS 55 N 0.07 2.88 0.33 4.34 2.47 -1.26 -3.90 119.74 124.67 3hy1 s LYS 55 Ca -0.11 -0.85 0.09 0.00 -1.56 0.00 0.00 55.97 53.54 3hy1 s LYS 55 Cb -0.16 -2.30 -0.06 0.00 -1.46 0.00 0.00 37.83 33.85 3hy1 s LYS 55 CO 0.06 0.29 -0.08 1.03 0.16 0.00 0.00 175.35 176.81 3hy1 s ARG 56 N 0.08 1.74 0.00 4.03 1.81 -1.26 -5.03 118.95 120.33 3hy1 s ARG 56 Ca -0.10 -1.90 0.27 0.00 -1.72 0.00 0.00 55.73 52.28 3hy1 s ARG 56 Cb -0.16 -1.54 1.03 0.00 -0.45 0.00 0.00 34.95 33.84 3hy1 s ARG 56 CO 0.06 0.10 1.73 0.09 -0.68 0.00 0.00 175.30 176.60 3hy1 n ASN 57 N -0.74 1.45 -4.31 0.23 3.02 -1.26 -4.82 115.26 108.84 3hy1 n ASN 57 Ca -0.05 -1.52 -0.26 0.00 -0.03 0.00 0.00 54.58 52.72 3hy1 n ASN 57 Cb 0.64 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.65 3hy1 n ASN 57 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hy1 s TYR 58 N -1.96 1.97 -0.92 3.10 -0.85 -1.26 -5.03 117.35 112.41 3hy1 s TYR 58 Ca 0.37 -0.40 0.18 0.00 -0.52 0.00 0.00 57.07 56.71 3hy1 s TYR 58 Cb 0.20 -1.11 -0.18 0.00 0.38 0.00 0.00 41.96 41.25 3hy1 s TYR 58 CO 0.32 0.20 0.78 -1.13 -1.52 0.00 0.00 175.55 174.20 3hy1 n SER 59 N 1.33 0.92 -3.87 -0.18 3.41 -1.26 -4.92 113.62 109.06 3hy1 n SER 59 Ca -0.18 -0.96 -0.11 0.00 -0.26 0.00 0.00 58.87 57.35 3hy1 n SER 59 Cb 0.53 0.96 -0.12 0.00 -0.26 0.00 0.00 64.21 65.33 3hy1 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hy1 s ARG 60 N -2.67 0.26 0.16 4.33 3.03 -1.26 0.03 118.95 122.83 3hy1 s ARG 60 Ca 0.07 -0.12 0.00 0.00 2.03 0.00 0.00 55.73 57.72 3hy1 s ARG 60 Cb 0.14 0.11 -0.04 0.00 -1.03 0.00 0.00 34.95 34.13 3hy1 s ARG 60 CO 0.72 -0.05 0.05 0.00 -1.13 0.00 0.00 175.30 174.89 3hy1 s ALA 61 N -0.59 1.14 -0.10 7.88 0.00 -0.71 -1.09 121.76 128.28 3hy1 s ALA 61 Ca -0.07 -1.57 -0.07 0.00 0.00 0.00 0.00 51.96 50.26 3hy1 s ALA 61 Cb -0.04 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.92 3hy1 s ALA 61 CO 0.00 -0.43 0.25 -0.08 0.00 0.00 0.00 175.76 175.50 3hy1 s THR 62 N -3.89 -0.02 0.08 0.00 -1.32 -0.20 -0.57 115.64 109.73 3hy1 s THR 62 Ca 0.26 0.07 -0.01 0.00 -1.21 0.00 0.00 61.69 60.80 3hy1 s THR 62 Cb 0.07 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.65 3hy1 s THR 62 CO 0.04 0.03 0.00 0.42 -2.21 0.00 0.00 174.62 172.90 3hy1 s THR 63 N 0.65 0.18 -0.64 5.08 -4.23 -0.77 -2.12 115.64 113.78 3hy1 s THR 63 Ca -0.04 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 3hy1 s THR 63 Cb -0.06 -1.71 0.16 0.00 1.34 0.00 0.00 72.50 72.23 3hy1 s THR 63 CO -0.04 -0.80 0.43 -0.55 -0.54 0.00 0.00 174.62 173.12 3hy1 s SER 64 N -2.97 4.85 0.05 3.99 0.15 -1.26 -1.99 113.70 116.52 3hy1 s SER 64 Ca 0.13 -3.32 -0.26 0.00 0.70 0.00 0.00 55.95 53.20 3hy1 s SER 64 Cb 0.08 -1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 3hy1 s SER 64 CO -0.06 -0.21 0.81 -1.58 1.20 0.00 0.00 173.24 173.40 3hy1 s GLN 65 N -0.73 4.53 0.06 5.44 2.00 -0.88 -4.55 119.66 125.53 3hy1 s GLN 65 Ca 0.21 1.14 -0.28 0.00 -2.00 0.00 0.00 55.36 54.43 3hy1 s GLN 65 Cb -0.16 -3.37 -0.05 0.00 0.80 0.00 0.00 33.01 30.22 3hy1 s GLN 65 CO -0.07 0.25 0.89 -0.98 -0.50 0.00 0.00 175.29 174.88 3hy1 s ARG 66 N 0.04 4.60 0.03 1.67 1.70 -1.26 -0.80 118.95 124.92 3hy1 s ARG 66 Ca 0.41 1.30 0.04 0.00 -0.47 0.00 0.00 55.73 57.01 3hy1 s ARG 66 Cb -0.21 -3.39 -0.02 0.00 -0.57 0.00 0.00 34.95 30.76 3hy1 s ARG 66 CO 0.24 0.17 -0.13 0.00 -1.08 0.00 0.00 175.30 174.51 3hy1 s VAL 68 N -0.78 1.82 -0.91 0.00 1.01 -0.23 -1.71 120.40 119.60 3hy1 s VAL 68 Ca 0.01 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 3hy1 s VAL 68 Cb -0.07 -1.83 0.23 0.00 0.00 0.00 0.00 36.38 34.71 3hy1 s VAL 68 CO 0.01 0.24 0.84 -0.13 0.00 0.00 0.00 175.10 176.06 3hy1 s ARG 69 N 1.33 3.60 -0.02 2.72 0.52 -0.49 -4.44 118.95 122.17 3hy1 s ARG 69 Ca -0.01 -2.89 0.03 0.00 -0.52 0.00 0.00 55.73 52.34 3hy1 s ARG 69 Cb -0.16 -4.28 0.04 0.00 0.52 0.00 0.00 34.95 31.07 3hy1 s ARG 69 CO -0.09 -1.25 0.90 0.00 0.02 0.00 0.00 175.30 174.88 3hy1 n ALA 70 N 3.15 1.80 -3.59 2.13 0.00 -1.21 -1.26 120.51 121.54 3hy1 n ALA 70 Ca 0.18 -1.11 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 3hy1 n ALA 70 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 3hy1 n ALA 70 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hy1 s GLY 71 N -1.02 -0.40 0.00 0.00 0.00 -1.06 -4.81 107.32 100.03 3hy1 s GLY 71 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3hy1 s GLY 71 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.88 3hy1 n GLY 72 N -0.35 3.04 0.24 0.20 0.00 -1.26 -2.40 105.19 104.65 3hy1 n GLY 72 Ca -0.09 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.77 3hy1 n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hy1 h LYS 73 N 0.00 0.00 -3.87 1.61 6.56 -2.00 -3.36 116.57 115.52 3hy1 h LYS 73 Ca 0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 3hy1 h LYS 73 Cb 0.00 0.00 -0.39 0.00 -0.57 0.00 0.00 32.23 31.27 3hy1 h LYS 73 CO 0.00 0.13 -0.61 -1.01 -2.06 0.00 0.00 179.45 175.90 3hy1 s HIS 74 N -3.65 3.41 -0.29 -1.35 3.76 -1.01 -5.04 115.29 111.12 3hy1 s HIS 74 Ca 0.01 -3.01 0.01 0.00 -0.15 0.00 0.00 55.06 51.92 3hy1 s HIS 74 Cb 0.10 -2.93 0.08 0.00 1.11 0.00 0.00 32.58 30.94 3hy1 s HIS 74 CO 0.60 -0.83 0.03 1.21 -0.85 0.00 0.00 174.74 174.90 3hy1 s ASN 75 N 0.34 4.16 -0.05 1.40 3.84 -1.25 -2.56 114.94 120.82 3hy1 s ASN 75 Ca 0.15 -1.61 0.13 0.00 0.21 0.00 0.00 52.86 51.74 3hy1 s ASN 75 Cb -0.23 -1.20 0.38 0.00 -0.55 0.00 0.00 41.25 39.65 3hy1 s ASN 75 CO -0.03 -0.34 1.32 0.47 -2.79 0.00 0.00 177.10 175.73 3hy1 n ASP 76 N 4.61 3.26 -0.14 -4.21 8.00 -0.39 -4.71 116.55 122.97 3hy1 n ASP 76 Ca -0.04 -2.28 -0.03 0.00 0.71 0.00 0.00 54.79 53.14 3hy1 n ASP 76 Cb 0.43 -0.33 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3hy1 n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hy1 h LEU 77 N 2.07 -0.14 -0.50 0.64 5.85 -1.86 -1.87 115.31 119.49 3hy1 h LEU 77 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hy1 h LEU 77 Cb 0.95 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3hy1 h LEU 77 CO 0.07 -0.04 0.00 -0.62 -0.34 0.00 0.00 178.44 177.51 3hy1 n GLU 78 N -5.19 0.19 0.16 1.25 -0.58 -1.26 -2.20 120.64 113.01 3hy1 n GLU 78 Ca 0.04 0.36 0.05 0.00 -0.42 0.00 0.00 57.16 57.19 3hy1 n GLU 78 Cb 0.23 -1.82 0.06 0.00 -0.57 0.00 0.00 31.44 29.33 3hy1 n GLU 78 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3hy1 h ASN 79 N 0.00 0.00 -2.39 1.62 2.35 -1.68 -3.45 115.58 112.02 3hy1 h ASN 79 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 3hy1 h ASN 79 Cb 0.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.81 3hy1 h ASN 79 CO 0.00 0.37 1.23 -0.69 -1.65 0.00 0.00 177.43 176.69 3hy1 s VAL 80 N -3.03 3.14 0.00 2.81 1.01 -0.93 -1.73 120.40 121.67 3hy1 s VAL 80 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3hy1 s VAL 80 Cb 0.07 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3hy1 s VAL 80 CO 0.73 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.42 3hy1 n GLY 81 N 4.58 2.13 0.01 4.51 0.00 -1.26 -4.88 105.19 110.28 3hy1 n GLY 81 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3hy1 n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hy1 n TYR 82 N -1.60 0.00 -4.60 1.61 4.01 -0.70 -4.90 117.16 110.98 3hy1 n TYR 82 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 3hy1 n TYR 82 Cb 0.00 -0.31 -0.11 0.00 -0.31 0.00 0.00 39.34 38.62 3hy1 n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hy1 s THR 83 N -2.91 2.04 -0.72 -0.72 -4.23 -1.15 -5.05 115.64 102.91 3hy1 s THR 83 Ca -0.05 -2.05 0.16 0.00 -1.18 0.00 0.00 61.69 58.57 3hy1 s THR 83 Cb 0.08 -2.90 0.63 0.00 1.34 0.00 0.00 72.50 71.65 3hy1 s THR 83 CO 0.55 -0.05 1.54 0.00 -0.54 0.00 0.00 174.62 176.11 3hy1 n ALA 84 N -0.92 3.04 -0.74 3.99 0.00 -1.26 -4.42 120.51 120.21 3hy1 n ALA 84 Ca -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.63 3hy1 n ALA 84 Cb 0.66 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3hy1 n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hy1 n ARG 85 N 0.54 -0.14 -4.53 0.00 1.85 -1.26 -0.87 116.66 112.25 3hy1 n ARG 85 Ca 0.23 -0.11 -0.34 0.00 -1.00 0.00 0.00 57.85 56.63 3hy1 n ARG 85 Cb 0.87 -0.59 -0.12 0.00 -1.05 0.00 0.00 32.46 31.57 3hy1 n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hy1 s HIS 86 N -0.01 2.98 0.25 2.89 3.76 -1.26 -4.96 115.29 118.95 3hy1 s HIS 86 Ca 0.00 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 3hy1 s HIS 86 Cb 0.00 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.81 3hy1 s HIS 86 CO 0.00 0.16 0.02 -1.01 -0.85 0.00 0.00 174.74 173.06 3hy1 s HIS 87 N -0.28 1.65 -0.18 1.40 3.76 -1.26 -4.65 115.29 115.72 3hy1 s HIS 87 Ca 0.04 -0.95 -0.24 0.00 -0.15 0.00 0.00 55.06 53.76 3hy1 s HIS 87 Cb -0.13 -0.98 -0.22 0.00 1.11 0.00 0.00 32.58 32.37 3hy1 s HIS 87 CO 0.02 -0.05 0.41 1.79 -0.85 0.00 0.00 174.74 176.06 3hy1 h THR 88 N 2.39 1.22 -3.61 1.30 1.35 -1.86 -3.43 112.91 110.27 3hy1 h THR 88 Ca -0.39 -2.24 -0.63 0.00 -0.55 0.00 0.00 66.41 62.60 3hy1 h THR 88 Cb 1.23 2.63 -0.18 0.00 -1.73 0.00 0.00 68.15 70.10 3hy1 h THR 88 CO 0.65 0.42 -0.56 0.12 -0.25 0.00 0.00 175.52 175.90 3hy1 s PHE 89 N -2.31 3.21 0.18 4.73 5.36 -1.26 -1.40 117.98 126.49 3hy1 s PHE 89 Ca -0.25 -0.03 -0.16 0.00 -0.96 0.00 0.00 56.93 55.53 3hy1 s PHE 89 Cb 0.03 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 3hy1 s PHE 89 CO 0.63 -0.09 0.47 -0.59 -1.46 0.00 0.00 175.22 174.17 3hy1 s PHE 90 N 1.23 -0.02 -0.12 10.12 -0.12 -0.70 -4.91 117.98 123.47 3hy1 s PHE 90 Ca 0.06 -0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 56.58 3hy1 s PHE 90 Cb -0.14 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 3hy1 s PHE 90 CO 0.05 -0.86 -0.03 -1.21 -0.05 0.00 0.00 175.22 173.11 3hy1 s GLU 91 N -3.89 3.30 -0.36 1.99 2.02 -1.26 -0.68 118.70 119.82 3hy1 s GLU 91 Ca 0.10 -0.49 -0.13 0.00 0.02 0.00 0.00 54.97 54.48 3hy1 s GLU 91 Cb 0.00 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3hy1 s GLU 91 CO -0.03 0.46 0.24 -1.64 0.02 0.00 0.00 175.26 174.31 3hy1 s MET 92 N -0.22 3.24 -0.51 1.61 -1.94 0.01 -1.32 119.30 120.17 3hy1 s MET 92 Ca 0.04 -0.82 -0.28 0.00 -1.71 0.00 0.00 55.69 52.92 3hy1 s MET 92 Cb -0.13 -3.81 0.03 0.00 2.01 0.00 0.00 34.83 32.94 3hy1 s MET 92 CO 0.02 -0.56 1.12 -0.51 -0.01 0.00 0.00 175.02 175.09 3hy1 s LEU 93 N 1.67 3.64 0.04 -0.03 1.43 0.16 -2.07 118.68 123.52 3hy1 s LEU 93 Ca 0.05 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3hy1 s LEU 93 Cb -0.18 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 3hy1 s LEU 93 CO 0.09 -1.29 -0.08 -0.83 0.23 0.00 0.00 176.35 174.47 3hy1 s GLY 94 N 2.59 0.50 0.04 -3.19 0.00 -0.84 0.14 107.32 106.55 3hy1 s GLY 94 Ca 0.45 -0.68 0.08 0.00 0.00 0.00 0.00 44.72 44.56 3hy1 s GLY 94 CO 0.29 -0.71 -0.22 0.54 0.00 0.00 0.00 173.10 173.00 3hy1 s ASN 95 N -1.29 3.53 -0.02 1.64 4.22 -1.20 -1.85 114.94 119.97 3hy1 s ASN 95 Ca -0.07 -0.49 0.03 0.00 -2.14 0.00 0.00 52.86 50.19 3hy1 s ASN 95 Cb -0.08 -0.48 -0.00 0.00 1.28 0.00 0.00 41.25 41.96 3hy1 s ASN 95 CO 0.00 0.26 -0.11 -0.36 -2.04 0.00 0.00 177.10 174.86 3hy1 s PHE 96 N -0.87 1.00 -0.17 1.54 0.08 0.26 -1.78 117.98 118.04 3hy1 s PHE 96 Ca 0.13 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.98 3hy1 s PHE 96 Cb -0.10 -0.67 0.02 0.00 -0.57 0.00 0.00 43.02 41.69 3hy1 s PHE 96 CO 0.04 -0.05 -0.20 0.45 -0.10 0.00 0.00 175.22 175.35 3hy1 s SER 97 N -0.08 3.12 -0.71 1.36 0.15 -0.21 -1.74 113.70 115.60 3hy1 s SER 97 Ca 0.01 -0.64 -0.09 0.00 0.70 0.00 0.00 55.95 55.93 3hy1 s SER 97 Cb -0.06 -1.47 0.18 0.00 -1.71 0.00 0.00 66.02 62.96 3hy1 s SER 97 CO 0.00 0.02 0.59 -0.36 1.20 0.00 0.00 173.24 174.69 3hy1 s PHE 98 N 1.20 3.58 0.00 3.44 0.40 0.10 -1.80 117.98 124.90 3hy1 s PHE 98 Ca 0.03 -2.22 0.00 0.00 -0.60 0.00 0.00 56.93 54.13 3hy1 s PHE 98 Cb -0.13 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.84 3hy1 s PHE 98 CO -0.11 -0.94 0.00 0.41 0.70 0.00 0.00 175.22 175.29 3hy1 n GLY 99 N 3.93 0.47 0.00 4.36 0.00 -1.24 -4.80 105.19 107.91 3hy1 n GLY 99 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3hy1 n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hy1 n ASP 100 N -0.07 0.00 -4.76 1.61 2.03 -1.26 -4.96 116.55 109.14 3hy1 n ASP 100 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 3hy1 n ASP 100 Cb 0.04 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.46 3hy1 n ASP 100 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3hy1 s TYR 101 N 3.54 2.49 0.00 -0.67 -0.85 -1.26 -4.96 117.35 115.65 3hy1 s TYR 101 Ca 0.00 1.48 0.00 0.00 -0.52 0.00 0.00 57.07 58.03 3hy1 s TYR 101 Cb 0.00 -3.53 0.00 0.00 0.38 0.00 0.00 41.96 38.81 3hy1 s TYR 101 CO 0.00 -2.20 0.00 0.34 -1.52 0.00 0.00 175.55 172.17 3hy1 n PHE 102 N -1.16 0.00 -0.18 -3.49 7.35 -1.26 -4.44 117.46 114.29 3hy1 n PHE 102 Ca 0.11 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.72 3hy1 n PHE 102 Cb 0.48 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.33 3hy1 n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hy1 h LYS 103 N 0.00 0.73 0.00 -4.13 1.57 -1.95 -1.92 116.57 110.86 3hy1 h LYS 103 Ca 0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3hy1 h LYS 103 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3hy1 h LYS 103 CO 0.00 0.60 -0.00 1.25 -0.57 0.00 0.00 179.45 180.73 3hy1 h LEU 104 N 0.68 -0.00 -0.55 2.94 5.85 -1.97 -1.51 115.31 120.75 3hy1 h LEU 104 Ca 0.18 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3hy1 h LEU 104 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hy1 h LEU 104 CO -0.02 0.14 -0.65 0.44 -0.34 0.00 0.00 178.44 178.00 3hy1 h ASP 105 N -0.14 0.35 -0.27 1.25 3.32 -1.95 -1.93 116.42 117.05 3hy1 h ASP 105 Ca -0.00 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.85 3hy1 h ASP 105 Cb 0.14 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3hy1 h ASP 105 CO 0.00 0.91 0.14 0.00 -1.72 0.00 0.00 179.24 178.57 3hy1 h ALA 106 N 1.09 0.32 -0.27 3.45 0.00 -1.18 0.11 119.26 122.78 3hy1 h ALA 106 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3hy1 h ALA 106 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hy1 h ALA 106 CO 0.11 -0.25 -0.40 0.82 0.00 0.00 0.00 179.25 179.52 3hy1 h ILE 107 N 0.29 1.29 -0.36 0.00 2.04 -1.27 -2.86 117.51 116.65 3hy1 h ILE 107 Ca 0.11 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 3hy1 h ILE 107 Cb 0.02 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3hy1 h ILE 107 CO -0.07 0.50 0.10 -0.07 0.00 0.00 0.00 178.15 178.62 3hy1 h LEU 108 N 0.54 0.53 -0.56 1.44 3.38 -0.97 -1.74 115.31 117.94 3hy1 h LEU 108 Ca 0.05 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3hy1 h LEU 108 Cb 0.92 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 3hy1 h LEU 108 CO 0.08 0.61 0.32 -0.26 0.09 0.00 0.00 178.44 179.28 3hy1 h PHE 109 N 0.43 0.59 -0.15 1.13 0.05 -0.78 0.10 116.94 118.31 3hy1 h PHE 109 Ca 0.12 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 3hy1 h PHE 109 Cb 0.27 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 3hy1 h PHE 109 CO 0.01 0.32 0.06 0.00 -0.18 0.00 0.00 178.31 178.52 3hy1 h ALA 110 N 1.27 0.20 -0.47 2.45 0.00 -1.35 -1.32 119.26 120.04 3hy1 h ALA 110 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hy1 h ALA 110 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hy1 h ALA 110 CO -0.12 -0.21 0.25 2.35 0.00 0.00 0.00 179.25 181.52 3hy1 h TRP 111 N 0.08 0.65 -0.24 0.00 2.91 -1.19 -1.91 115.95 116.26 3hy1 h TRP 111 Ca 0.05 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.07 3hy1 h TRP 111 Cb 0.18 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 3hy1 h TRP 111 CO -0.01 0.50 0.11 1.25 -1.03 0.00 0.00 178.44 179.25 3hy1 h LEU 112 N 0.62 0.15 -0.76 0.65 5.85 -0.75 -0.03 115.31 121.04 3hy1 h LEU 112 Ca 0.17 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3hy1 h LEU 112 Cb 0.07 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3hy1 h LEU 112 CO -0.03 0.12 0.15 0.25 -0.34 0.00 0.00 178.44 178.59 3hy1 h LEU 113 N 0.23 1.03 -0.18 2.25 5.85 -1.10 -1.59 115.31 121.79 3hy1 h LEU 113 Ca 0.10 -0.22 -0.23 0.00 0.84 0.00 0.00 57.88 58.37 3hy1 h LEU 113 Cb 0.04 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.80 3hy1 h LEU 113 CO -0.08 1.00 -0.88 -0.07 -0.34 0.00 0.00 178.44 178.07 3hy1 h LEU 114 N 1.03 0.70 0.00 2.25 3.38 -0.99 -3.05 115.31 118.63 3hy1 h LEU 114 Ca 0.21 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 3hy1 h LEU 114 Cb 0.39 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hy1 h LEU 114 CO 0.01 1.30 -1.88 0.35 0.09 0.00 0.00 178.44 178.31 3hy1 n THR 115 N -3.83 0.17 -1.88 0.22 -2.24 -0.06 -0.07 114.28 106.58 3hy1 n THR 115 Ca -0.07 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.83 3hy1 n THR 115 Cb 0.80 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3hy1 n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hy1 s SER 116 N -4.24 6.50 0.42 3.42 0.15 -0.60 -4.54 113.70 114.81 3hy1 s SER 116 Ca -0.07 2.81 0.10 0.00 0.70 0.00 0.00 55.95 59.50 3hy1 s SER 116 Cb 0.11 -2.63 0.88 0.00 -1.71 0.00 0.00 66.02 62.67 3hy1 s SER 116 CO 0.75 -0.82 1.99 -0.33 1.20 0.00 0.00 173.24 176.03 3hy1 h GLU 117 N 5.02 0.27 -0.03 5.44 4.39 -1.93 -2.55 114.58 125.19 3hy1 h GLU 117 Ca -0.46 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.03 3hy1 h GLU 117 Cb 1.22 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 3hy1 h GLU 117 CO 0.79 0.31 -0.71 0.87 -1.16 0.00 0.00 179.01 179.11 3hy1 h LYS 118 N 0.27 0.19 0.00 2.33 1.57 -1.95 -3.44 116.57 115.54 3hy1 h LYS 118 Ca 0.06 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3hy1 h LYS 118 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3hy1 h LYS 118 CO 0.00 0.82 0.00 0.91 -0.57 0.00 0.00 179.45 180.61 3hy1 n TRP 119 N -3.78 0.00 -3.97 -1.35 7.02 -0.96 -5.04 117.44 109.36 3hy1 n TRP 119 Ca -0.03 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.16 3hy1 n TRP 119 Cb 0.69 0.00 -0.17 0.00 -2.42 0.00 0.00 31.31 29.41 3hy1 n TRP 119 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 3hy1 s PHE 120 N 1.63 1.96 -0.79 -5.99 -0.00 -1.15 -4.95 117.98 108.68 3hy1 s PHE 120 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 56.93 55.81 3hy1 s PHE 120 Cb 0.00 -1.47 0.20 0.00 -0.00 0.00 0.00 43.02 41.75 3hy1 s PHE 120 CO 0.00 -0.63 0.64 0.00 -0.00 0.00 0.00 175.22 175.23 3hy1 s ALA 121 N 1.55 4.01 0.58 1.99 0.00 -1.24 -4.21 121.76 124.45 3hy1 s ALA 121 Ca 0.04 -3.75 -0.17 0.00 0.00 0.00 0.00 51.96 48.08 3hy1 s ALA 121 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3hy1 s ALA 121 CO -0.09 -2.13 1.10 -0.51 0.00 0.00 0.00 175.76 174.13 3hy1 s LEU 122 N -1.17 3.60 0.23 0.00 1.43 0.90 -4.94 118.68 118.73 3hy1 s LEU 122 Ca 0.25 2.03 -0.32 0.00 -1.03 0.00 0.00 54.13 55.07 3hy1 s LEU 122 Cb -0.09 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 3hy1 s LEU 122 CO -0.12 -1.30 1.70 -2.65 0.23 0.00 0.00 176.35 174.21 3hy1 n PRO 123 N -1.76 2.78 0.04 1.29 -0.02 -1.26 -4.68 135.00 131.39 3hy1 n PRO 123 Ca 0.10 1.00 -0.03 0.00 -2.02 0.00 0.00 63.50 62.56 3hy1 n PRO 123 Cb 0.52 -2.84 0.22 0.00 -0.02 0.00 0.00 33.50 31.39 3hy1 n PRO 123 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hy1 h LYS 124 N 6.31 0.40 0.00 -0.52 1.57 -1.94 -2.86 116.57 119.52 3hy1 h LYS 124 Ca -0.44 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.15 3hy1 h LYS 124 Cb 1.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3hy1 h LYS 124 CO 0.92 0.65 -0.17 1.05 -0.57 0.00 0.00 179.45 181.33 3hy1 h GLU 125 N 0.36 0.00 -0.01 3.15 9.09 -2.04 -2.75 114.58 122.39 3hy1 h GLU 125 Ca 0.05 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.31 3hy1 h GLU 125 Cb 0.67 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.75 3hy1 h GLU 125 CO 0.05 0.17 -0.71 0.00 0.05 0.00 0.00 179.01 178.57 3hy1 h ARG 126 N 0.00 0.05 -6.81 1.06 2.47 -1.88 -3.46 114.38 105.81 3hy1 h ARG 126 Ca -0.00 -0.04 -0.50 0.00 -1.26 0.00 0.00 59.98 58.18 3hy1 h ARG 126 Cb 0.31 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.65 3hy1 h ARG 126 CO 0.02 0.74 0.46 -0.51 0.56 0.00 0.00 179.97 181.24 3hy1 s LEU 127 N -7.47 4.54 0.12 3.04 1.43 -1.04 -2.58 118.68 116.72 3hy1 s LEU 127 Ca -0.01 2.24 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 3hy1 s LEU 127 Cb 0.12 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 3hy1 s LEU 127 CO 0.78 -0.14 -0.14 0.26 0.23 0.00 0.00 176.35 177.35 3hy1 s TRP 128 N -1.19 1.36 0.08 0.29 0.52 0.32 -4.97 118.94 115.35 3hy1 s TRP 128 Ca 0.45 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 56.05 3hy1 s TRP 128 Cb -0.31 -0.72 -0.03 0.00 -1.15 0.00 0.00 33.47 31.26 3hy1 s TRP 128 CO 0.40 0.13 -0.11 0.14 0.02 0.00 0.00 176.95 177.53 3hy1 s VAL 129 N -2.12 0.88 0.05 4.03 -7.23 -1.03 0.46 120.40 115.45 3hy1 s VAL 129 Ca 0.08 -1.42 0.08 0.00 -1.81 0.00 0.00 61.98 58.91 3hy1 s VAL 129 Cb -0.05 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 3hy1 s VAL 129 CO 0.03 -0.43 -0.22 0.42 -0.31 0.00 0.00 175.10 174.58 3hy1 s THR 130 N -1.89 1.82 0.08 5.32 -4.23 -0.17 -1.91 115.64 114.66 3hy1 s THR 130 Ca -0.00 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 3hy1 s THR 130 Cb -0.06 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 3hy1 s THR 130 CO 0.01 0.23 -0.10 0.68 -0.54 0.00 0.00 174.62 174.89 3hy1 s VAL 131 N -0.84 0.90 0.32 2.29 -7.23 -0.49 -1.98 120.40 113.37 3hy1 s VAL 131 Ca 0.09 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 3hy1 s VAL 131 Cb -0.09 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 3hy1 s VAL 131 CO 0.02 -0.48 1.35 -0.47 -0.31 0.00 0.00 175.10 175.21 3hy1 s TYR 132 N -2.10 2.98 0.23 2.82 5.04 -1.25 -0.01 117.35 125.07 3hy1 s TYR 132 Ca 0.02 1.31 -0.09 0.00 -2.44 0.00 0.00 57.07 55.87 3hy1 s TYR 132 Cb -0.05 -3.75 0.36 0.00 0.35 0.00 0.00 41.96 38.87 3hy1 s TYR 132 CO 0.00 -2.14 1.64 1.49 -1.34 0.00 0.00 175.55 175.20 3hy1 h GLU 133 N 3.64 0.07 0.00 4.97 4.81 -1.49 0.83 114.58 127.41 3hy1 h GLU 133 Ca -0.49 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hy1 h GLU 133 Cb 1.23 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3hy1 h GLU 133 CO 0.67 0.05 0.00 0.43 -0.73 0.00 0.00 179.01 179.43 3hy1 n SER 134 N -5.36 0.59 -4.56 1.04 7.64 -1.26 -4.60 113.62 107.10 3hy1 n SER 134 Ca 0.11 0.60 -0.41 0.00 1.01 0.00 0.00 58.87 60.18 3hy1 n SER 134 Cb 0.41 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 3hy1 n SER 134 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hy1 s ASP 135 N -4.09 6.56 0.11 6.43 -1.08 0.28 -4.78 116.67 120.10 3hy1 s ASP 135 Ca 0.08 -1.64 -0.05 0.00 -0.52 0.00 0.00 52.55 50.41 3hy1 s ASP 135 Cb 0.11 -2.57 -0.14 0.00 -1.46 0.00 0.00 42.92 38.86 3hy1 s ASP 135 CO 0.46 -1.45 1.26 0.44 0.52 0.00 0.00 175.17 176.40 3hy1 h ASP 136 N 9.37 0.55 0.21 -0.34 3.32 -1.83 -2.97 116.42 124.73 3hy1 h ASP 136 Ca 0.25 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3hy1 h ASP 136 Cb 0.98 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 3hy1 h ASP 136 CO 1.44 1.28 -0.25 -0.33 -1.72 0.00 0.00 179.24 179.66 3hy1 h GLU 137 N 0.21 -0.49 -0.31 3.56 5.08 -1.98 -0.43 114.58 120.22 3hy1 h GLU 137 Ca -0.10 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3hy1 h GLU 137 Cb 1.67 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 3hy1 h GLU 137 CO 0.18 -0.33 0.10 0.00 -1.00 0.00 0.00 179.01 177.96 3hy1 h ALA 138 N 0.17 0.35 -0.16 3.43 0.00 -1.97 0.15 119.26 121.23 3hy1 h ALA 138 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hy1 h ALA 138 Cb 0.49 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3hy1 h ALA 138 CO -0.08 -0.30 -0.12 -0.92 0.00 0.00 0.00 179.25 177.83 3hy1 h TYR 139 N 0.23 -0.30 -0.71 0.00 3.20 -1.40 -1.04 116.97 116.95 3hy1 h TYR 139 Ca 0.14 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3hy1 h TYR 139 Cb 0.12 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 3hy1 h TYR 139 CO -0.14 -0.18 0.33 1.49 -1.64 0.00 0.00 178.16 178.01 3hy1 h GLU 140 N -0.13 1.03 -0.18 1.82 4.81 -0.50 0.90 114.58 122.33 3hy1 h GLU 140 Ca 0.10 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hy1 h GLU 140 Cb 0.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3hy1 h GLU 140 CO -0.24 0.80 0.09 0.82 -0.73 0.00 0.00 179.01 179.75 3hy1 h ILE 141 N 1.02 1.13 -0.57 2.32 2.04 -0.29 0.62 117.51 123.77 3hy1 h ILE 141 Ca 0.25 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3hy1 h ILE 141 Cb 0.13 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3hy1 h ILE 141 CO -0.03 0.12 0.17 -0.50 0.00 0.00 0.00 178.15 177.91 3hy1 h TRP 142 N 0.17 0.93 -0.01 1.37 4.06 -0.83 0.79 115.95 122.42 3hy1 h TRP 142 Ca 0.06 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 3hy1 h TRP 142 Cb 0.11 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.01 3hy1 h TRP 142 CO -0.03 0.78 -0.06 1.49 -3.56 0.00 0.00 178.44 177.06 3hy1 h GLU 143 N 0.81 0.06 0.00 0.49 4.81 -0.66 0.08 114.58 120.17 3hy1 h GLU 143 Ca 0.18 -0.05 -0.31 0.00 -0.13 0.00 0.00 59.36 59.06 3hy1 h GLU 143 Cb 0.30 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 3hy1 h GLU 143 CO -0.00 0.73 -1.67 1.63 -0.73 0.00 0.00 179.01 178.97 3hy1 n LYS 144 N -4.70 0.58 0.07 1.92 4.76 0.22 -3.46 118.16 117.55 3hy1 n LYS 144 Ca -0.09 0.48 -0.21 0.00 -2.87 0.00 0.00 58.31 55.62 3hy1 n LYS 144 Cb 0.37 -1.67 -0.11 0.00 -1.84 0.00 0.00 35.03 31.78 3hy1 n LYS 144 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3hy1 h GLU 145 N -0.98 0.62 0.01 1.97 4.57 -1.25 -3.37 114.58 116.16 3hy1 h GLU 145 Ca -0.46 -0.76 -0.24 0.00 -1.18 0.00 0.00 59.36 56.72 3hy1 h GLU 145 Cb 1.41 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 30.21 3hy1 h GLU 145 CO -0.27 1.33 -1.30 0.28 -1.18 0.00 0.00 179.01 177.87 3hy1 h VAL 146 N 0.31 0.90 0.00 0.32 2.07 -0.97 -3.50 116.25 115.39 3hy1 h VAL 146 Ca -0.16 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3hy1 h VAL 146 Cb 1.81 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 3hy1 h VAL 146 CO 0.22 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.78 3hy1 n GLY 147 N 1.48 1.95 3.77 2.17 0.00 -0.63 -5.04 105.19 108.89 3hy1 n GLY 147 Ca -0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 3hy1 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hy1 s ILE 148 N -2.00 4.22 0.42 -0.61 1.01 -0.08 -5.00 121.20 119.16 3hy1 s ILE 148 Ca 0.00 1.86 -0.26 0.00 0.00 0.00 0.00 60.65 62.25 3hy1 s ILE 148 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 3hy1 s ILE 148 CO 0.00 0.40 1.42 -2.65 0.00 0.00 0.00 174.94 174.10 3hy1 n PRO 149 N 1.23 2.32 0.07 2.79 -0.02 -1.26 -4.41 135.00 135.73 3hy1 n PRO 149 Ca -0.02 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.32 3hy1 n PRO 149 Cb 0.48 -2.58 0.44 0.00 -0.02 0.00 0.00 33.50 31.82 3hy1 n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hy1 h ARG 150 N 2.47 0.37 0.00 -0.52 3.08 -1.96 -1.15 114.38 116.67 3hy1 h ARG 150 Ca -0.50 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.49 3hy1 h ARG 150 Cb 1.27 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3hy1 h ARG 150 CO 0.62 0.32 -0.06 1.05 -1.07 0.00 0.00 179.97 180.83 3hy1 h GLU 151 N 0.37 0.00 -0.44 0.04 9.09 -2.03 -2.92 114.58 118.69 3hy1 h GLU 151 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 3hy1 h GLU 151 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3hy1 h GLU 151 CO -0.01 0.06 0.00 0.54 0.05 0.00 0.00 179.01 179.65 3hy1 n ARG 152 N -3.27 3.20 -3.62 1.06 1.74 -0.44 -4.74 116.66 110.58 3hy1 n ARG 152 Ca -0.01 -2.59 -0.39 0.00 -0.77 0.00 0.00 57.85 54.10 3hy1 n ARG 152 Cb 0.25 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 3hy1 n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hy1 s ILE 153 N -1.81 4.20 -0.07 0.55 1.01 -1.10 -2.46 121.20 121.52 3hy1 s ILE 153 Ca 0.39 -2.94 -0.28 0.00 0.00 0.00 0.00 60.65 57.82 3hy1 s ILE 153 Cb 0.26 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3hy1 s ILE 153 CO 0.17 -0.93 0.93 -0.63 0.00 0.00 0.00 174.94 174.48 3hy1 s ILE 154 N -0.14 4.87 0.00 2.92 1.09 -0.80 -4.91 121.20 124.23 3hy1 s ILE 154 Ca 0.18 1.91 -0.20 0.00 -1.10 0.00 0.00 60.65 61.44 3hy1 s ILE 154 Cb -0.17 -4.26 -0.05 0.00 -1.06 0.00 0.00 42.46 36.92 3hy1 s ILE 154 CO -0.05 0.10 0.59 -0.13 -0.10 0.00 0.00 174.94 175.35 3hy1 s ARG 155 N 1.48 4.31 -0.19 2.79 0.52 -1.26 -1.39 118.95 125.20 3hy1 s ARG 155 Ca 0.47 0.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 3hy1 s ARG 155 Cb -0.19 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 31.96 3hy1 s ARG 155 CO 0.21 0.39 -0.16 0.42 0.02 0.00 0.00 175.30 176.18 3hy1 s ILE 156 N -0.26 2.31 0.59 1.52 -1.09 0.99 -4.82 121.20 120.44 3hy1 s ILE 156 Ca 0.31 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 3hy1 s ILE 156 Cb -0.18 -2.02 0.13 0.00 -1.58 0.00 0.00 42.46 38.81 3hy1 s ILE 156 CO 0.17 0.47 0.80 0.61 -1.23 0.00 0.00 174.94 175.77 3hy1 n GLY 157 N 4.64 -0.74 3.19 6.18 0.00 -1.26 -1.25 105.19 115.94 3hy1 n GLY 157 Ca -0.20 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3hy1 n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hy1 n ASP 158 N -3.37 2.16 -0.05 1.61 9.92 -1.26 -4.60 116.55 120.95 3hy1 n ASP 158 Ca 0.11 -2.62 0.14 0.00 -0.53 0.00 0.00 54.79 51.89 3hy1 n ASP 158 Cb 0.38 -0.95 0.62 0.00 -0.64 0.00 0.00 41.12 40.53 3hy1 n ASP 158 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3hy1 n ASN 159 N 7.79 0.26 -0.15 -2.24 6.94 -0.56 -2.12 115.26 125.18 3hy1 n ASN 159 Ca 0.49 -0.25 0.12 0.00 -0.02 0.00 0.00 54.58 54.92 3hy1 n ASN 159 Cb 0.40 -0.17 0.66 0.00 -2.36 0.00 0.00 39.78 38.31 3hy1 n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hy1 n LYS 160 N -1.19 1.20 -2.14 -3.83 5.02 0.25 -4.89 118.16 112.58 3hy1 n LYS 160 Ca 0.12 -0.29 -0.06 0.00 -2.02 0.00 0.00 58.31 56.06 3hy1 n LYS 160 Cb 0.28 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3hy1 n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hy1 n GLY 161 N 0.97 0.13 3.06 0.72 0.00 -0.90 -4.94 105.19 104.22 3hy1 n GLY 161 Ca 0.18 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3hy1 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hy1 s ALA 162 N -2.34 0.46 0.91 4.61 0.00 -1.26 -5.00 121.76 119.14 3hy1 s ALA 162 Ca 0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 3hy1 s ALA 162 Cb -0.00 0.16 0.14 0.00 0.00 0.00 0.00 23.12 23.42 3hy1 s ALA 162 CO 0.01 -0.20 1.11 -0.35 0.00 0.00 0.00 175.76 176.33 3hy1 n PRO 163 N 0.89 -0.40 -1.54 0.00 -0.04 -1.26 0.28 135.00 132.92 3hy1 n PRO 163 Ca -0.19 -0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 62.99 3hy1 n PRO 163 Cb 0.58 -2.35 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 3hy1 n PRO 163 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3hy1 n TYR 164 N -4.15 1.05 -2.91 0.54 4.11 -1.26 -4.92 117.16 109.62 3hy1 n TYR 164 Ca 0.12 0.05 -0.43 0.00 -0.00 0.00 0.00 57.90 57.64 3hy1 n TYR 164 Cb 0.52 -2.34 -0.03 0.00 -0.00 0.00 0.00 39.34 37.49 3hy1 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3hy1 s ALA 165 N 11.78 3.23 0.02 -3.48 0.00 0.80 -4.87 121.76 129.24 3hy1 s ALA 165 Ca 1.03 -2.22 0.01 0.00 0.00 0.00 0.00 51.96 50.78 3hy1 s ALA 165 Cb -0.32 -3.89 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 3hy1 s ALA 165 CO 0.23 -2.81 -0.05 0.45 0.00 0.00 0.00 175.76 173.58 3hy1 s SER 166 N 3.67 0.59 0.47 0.00 0.15 -1.26 0.87 113.70 118.20 3hy1 s SER 166 Ca 0.25 -0.37 0.27 0.00 0.70 0.00 0.00 55.95 56.80 3hy1 s SER 166 Cb -0.13 0.02 0.79 0.00 -1.71 0.00 0.00 66.02 64.98 3hy1 s SER 166 CO 0.03 -0.14 1.77 0.44 1.20 0.00 0.00 173.24 176.54 3hy1 h ASP 167 N 5.07 0.00 -0.55 5.45 5.19 -1.92 -3.26 116.42 126.41 3hy1 h ASP 167 Ca -0.32 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.93 3hy1 h ASP 167 Cb 1.20 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.61 3hy1 h ASP 167 CO 0.44 0.05 0.15 0.59 -3.12 0.00 0.00 179.24 177.35 3hy1 n ASN 168 N -3.13 4.14 -3.68 6.45 4.13 -1.26 -4.71 115.26 117.21 3hy1 n ASN 168 Ca 0.02 -3.29 -0.28 0.00 1.68 0.00 0.00 54.58 52.71 3hy1 n ASN 168 Cb 0.44 -0.68 -0.16 0.00 -1.54 0.00 0.00 39.78 37.85 3hy1 n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hy1 s PHE 169 N -3.01 0.90 -0.15 3.10 5.36 -1.23 -1.35 117.98 121.59 3hy1 s PHE 169 Ca 0.50 -0.97 -0.13 0.00 -0.96 0.00 0.00 56.93 55.37 3hy1 s PHE 169 Cb 0.41 -1.10 -0.05 0.00 -0.34 0.00 0.00 43.02 41.94 3hy1 s PHE 169 CO 0.10 -0.70 0.27 -0.46 -1.46 0.00 0.00 175.22 172.97 3hy1 s TRP 170 N 1.90 3.48 0.04 10.12 -0.00 -0.79 -4.55 118.94 129.14 3hy1 s TRP 170 Ca 0.04 0.58 0.07 0.00 -0.00 0.00 0.00 56.10 56.79 3hy1 s TRP 170 Cb -0.17 -2.30 -0.03 0.00 -0.00 0.00 0.00 33.47 30.98 3hy1 s TRP 170 CO -0.18 0.29 -0.19 -0.65 -0.00 0.00 0.00 176.95 176.23 3hy1 s GLN 171 N 0.28 2.06 0.06 5.86 -0.21 -1.26 -2.53 119.66 123.92 3hy1 s GLN 171 Ca 0.16 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.30 3hy1 s GLN 171 Cb -0.13 -2.17 -0.17 0.00 1.00 0.00 0.00 33.01 31.54 3hy1 s GLN 171 CO 0.04 0.54 1.57 1.98 -2.12 0.00 0.00 175.29 177.30 3hy1 h MET 172 N 4.63 -0.23 0.00 2.91 1.85 -1.82 -3.49 114.93 118.78 3hy1 h MET 172 Ca -0.47 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.63 3hy1 h MET 172 Cb 1.15 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.23 3hy1 h MET 172 CO 0.47 -0.05 0.00 0.41 -0.40 0.00 0.00 176.91 177.34 3hy1 n GLY 173 N -0.86 1.42 0.21 1.39 0.00 -1.26 -4.97 105.19 101.12 3hy1 n GLY 173 Ca -0.09 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 3hy1 n GLY 173 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hy1 h ASP 174 N 0.00 0.43 -5.53 1.61 2.03 -1.98 -3.45 116.42 109.52 3hy1 h ASP 174 Ca 0.00 -0.18 -0.23 0.00 -0.73 0.00 0.00 57.03 55.88 3hy1 h ASP 174 Cb 0.00 -0.12 -0.15 0.00 -0.83 0.00 0.00 39.33 38.23 3hy1 h ASP 174 CO 0.00 0.79 -0.62 0.42 -1.03 0.00 0.00 179.24 178.79 3hy1 s THR 175 N -4.20 0.03 0.00 1.15 -4.23 -1.26 -4.82 115.64 102.30 3hy1 s THR 175 Ca -0.06 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3hy1 s THR 175 Cb 0.13 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3hy1 s THR 175 CO 0.80 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 3hy1 n GLY 176 N -0.25 0.36 3.76 3.99 0.00 -0.27 -4.66 105.19 108.12 3hy1 n GLY 176 Ca 0.01 -2.31 -0.38 0.00 0.00 0.00 0.00 46.02 43.34 3hy1 n GLY 176 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hy1 s PRO 177 N -0.67 3.58 0.33 1.61 0.04 -1.26 -0.87 135.00 137.76 3hy1 s PRO 177 Ca 0.00 2.07 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 3hy1 s PRO 177 Cb 0.00 -2.46 0.04 0.00 0.04 0.00 0.00 34.50 32.12 3hy1 s PRO 177 CO 0.00 -0.78 0.76 0.00 0.04 0.00 0.00 177.00 177.02 3hy1 n GLY 179 N -0.50 0.75 3.74 0.00 0.00 -1.05 -0.89 105.19 107.24 3hy1 n GLY 179 Ca -0.06 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 3hy1 n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hy1 s PRO 180 N -2.00 2.50 0.06 1.61 0.04 -1.25 -1.88 135.00 134.08 3hy1 s PRO 180 Ca 0.00 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 3hy1 s PRO 180 Cb 0.00 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3hy1 s PRO 180 CO 0.00 -1.54 0.13 0.00 0.04 0.00 0.00 177.00 175.63 3hy1 s THR 182 N -3.30 2.17 0.03 0.00 -1.32 -0.24 -3.79 115.64 109.18 3hy1 s THR 182 Ca 0.01 -1.22 0.07 0.00 -1.21 0.00 0.00 61.69 59.34 3hy1 s THR 182 Cb 0.03 -1.80 -0.02 0.00 -1.51 0.00 0.00 72.50 69.19 3hy1 s THR 182 CO -0.08 0.48 -0.22 -1.61 -2.21 0.00 0.00 174.62 170.98 3hy1 s GLU 183 N -0.93 1.55 -0.22 7.08 2.02 -0.84 -0.53 118.70 126.85 3hy1 s GLU 183 Ca 0.11 -0.93 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 3hy1 s GLU 183 Cb -0.10 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 3hy1 s GLU 183 CO 0.01 0.43 0.02 0.42 0.02 0.00 0.00 175.26 176.15 3hy1 s ILE 184 N -0.73 4.03 0.03 -1.63 1.01 -0.08 -1.00 121.20 122.83 3hy1 s ILE 184 Ca 0.08 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.49 3hy1 s ILE 184 Cb -0.09 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3hy1 s ILE 184 CO 0.01 0.40 -0.05 -0.36 0.00 0.00 0.00 174.94 174.94 3hy1 s PHE 185 N 1.21 2.91 -0.11 3.97 0.40 0.17 -0.77 117.98 125.77 3hy1 s PHE 185 Ca 0.04 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 3hy1 s PHE 185 Cb -0.15 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 3hy1 s PHE 185 CO 0.02 0.41 -0.16 -0.47 0.70 0.00 0.00 175.22 175.71 3hy1 s TYR 186 N -1.08 2.72 -0.36 0.36 5.04 -0.26 -0.52 117.35 123.25 3hy1 s TYR 186 Ca 0.19 -0.66 -0.25 0.00 -2.44 0.00 0.00 57.07 53.91 3hy1 s TYR 186 Cb -0.11 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.44 3hy1 s TYR 186 CO 0.10 -0.20 0.87 0.34 -1.34 0.00 0.00 175.55 175.32 3hy1 s ASP 187 N 0.17 6.63 0.00 4.32 -1.08 -1.06 -1.35 116.67 124.30 3hy1 s ASP 187 Ca -0.09 0.49 0.29 0.00 -0.52 0.00 0.00 52.55 52.73 3hy1 s ASP 187 Cb -0.15 -2.44 1.37 0.00 -1.46 0.00 0.00 42.92 40.24 3hy1 s ASP 187 CO 0.06 -0.80 1.95 1.41 0.52 0.00 0.00 175.17 178.30 3hy1 n HIS 188 N 6.62 0.00 0.00 -5.34 8.25 0.13 -4.96 115.22 119.92 3hy1 n HIS 188 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3hy1 n HIS 188 Cb 0.48 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.42 3hy1 n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hy1 n GLY 189 N 1.24 0.78 0.30 -1.41 0.00 -1.26 -4.80 105.19 100.04 3hy1 n GLY 189 Ca 0.16 -2.03 0.17 0.00 0.00 0.00 0.00 46.02 44.32 3hy1 n GLY 189 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hy1 h ASP 190 N 0.00 0.00 0.35 1.61 3.04 -1.98 -2.73 116.42 116.71 3hy1 h ASP 190 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 3hy1 h ASP 190 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 3hy1 h ASP 190 CO 0.00 0.03 -0.44 1.12 -2.04 0.00 0.00 179.24 177.91 3hy1 h HIS 191 N 0.00 0.13 -3.92 4.15 2.07 -2.01 -3.43 115.15 112.14 3hy1 h HIS 191 Ca -0.00 -0.04 -0.48 0.00 -2.85 0.00 0.00 60.37 57.00 3hy1 h HIS 191 Cb 0.14 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.10 3hy1 h HIS 191 CO 0.00 0.54 0.39 0.42 -3.07 0.00 0.00 177.93 176.21 3hy1 s ILE 192 N -4.05 3.89 0.11 6.12 -1.09 -1.03 -5.03 121.20 120.12 3hy1 s ILE 192 Ca -0.03 1.53 -0.30 0.00 -2.23 0.00 0.00 60.65 59.61 3hy1 s ILE 192 Cb 0.14 -3.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 3hy1 s ILE 192 CO 0.76 0.09 1.09 0.86 -1.23 0.00 0.00 174.94 176.50 3hy1 s TRP 193 N -1.60 3.59 0.00 3.97 -0.00 -1.26 -4.78 118.94 118.86 3hy1 s TRP 193 Ca 0.54 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 58.20 3hy1 s TRP 193 Cb -0.21 -3.26 0.00 0.00 -0.00 0.00 0.00 33.47 29.99 3hy1 s TRP 193 CO 0.27 -0.60 0.00 0.41 -0.00 0.00 0.00 176.95 177.03 3hy1 n GLY 194 N 2.51 4.47 3.74 5.86 0.00 -1.26 -2.95 105.19 117.55 3hy1 n GLY 194 Ca 0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3hy1 n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hy1 s GLY 195 N 0.00 2.86 1.13 -0.02 0.00 -0.25 -4.79 107.32 106.25 3hy1 s GLY 195 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 3hy1 s GLY 195 CO 0.00 -2.16 1.04 2.56 0.00 0.00 0.00 173.10 174.55 3hy1 s PRO 196 N -3.86 -0.63 0.50 2.90 0.04 -1.26 -4.14 135.00 128.54 3hy1 s PRO 196 Ca 0.15 0.86 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 3hy1 s PRO 196 Cb 0.03 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.93 3hy1 s PRO 196 CO 0.08 -3.54 1.37 -2.14 0.04 0.00 0.00 177.00 172.81 3hy1 s PRO 197 N -4.53 3.42 -0.04 0.56 0.02 -1.26 -2.30 135.00 130.87 3hy1 s PRO 197 Ca 0.68 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3hy1 s PRO 197 Cb -0.24 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3hy1 s PRO 197 CO 0.63 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 3hy1 n GLY 198 N 0.65 0.47 3.44 0.52 0.00 -1.26 -5.00 105.19 104.01 3hy1 n GLY 198 Ca 0.08 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3hy1 n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hy1 s SER 199 N -2.28 3.51 0.30 1.61 1.04 -0.97 -5.02 113.70 111.89 3hy1 s SER 199 Ca 0.00 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 55.66 3hy1 s SER 199 Cb 0.00 -0.30 0.81 0.00 0.10 0.00 0.00 66.02 66.63 3hy1 s SER 199 CO 0.00 0.12 1.71 -0.65 0.98 0.00 0.00 173.24 175.40 3hy1 h PRO 200 N 3.20 0.47 -0.86 4.02 0.11 -1.95 0.11 132.00 137.11 3hy1 h PRO 200 Ca -0.47 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 3hy1 h PRO 200 Cb 1.21 -0.11 -0.30 0.00 0.11 0.00 0.00 31.00 31.91 3hy1 h PRO 200 CO 0.48 0.31 0.35 0.39 -0.21 0.00 0.00 178.00 179.33 3hy1 n GLU 201 N -4.97 2.68 0.25 1.05 1.02 -1.26 -4.62 120.64 114.79 3hy1 n GLU 201 Ca 0.24 -3.41 0.12 0.00 -0.02 0.00 0.00 57.16 54.09 3hy1 n GLU 201 Cb 0.70 -2.20 0.67 0.00 -0.02 0.00 0.00 31.44 30.59 3hy1 n GLU 201 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3hy1 h GLU 202 N 1.73 0.00 0.00 3.49 4.11 -0.93 -0.57 114.58 122.41 3hy1 h GLU 202 Ca 0.51 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.85 3hy1 h GLU 202 Cb 1.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 3hy1 h GLU 202 CO 1.17 0.15 -0.41 -0.44 0.07 0.00 0.00 179.01 179.55 3hy1 h ASP 203 N 0.00 0.00 -3.97 3.06 5.19 -1.84 -3.45 116.42 115.41 3hy1 h ASP 203 Ca -0.00 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.88 3hy1 h ASP 203 Cb 0.40 0.00 0.20 0.00 0.18 0.00 0.00 39.33 40.11 3hy1 h ASP 203 CO 0.02 0.41 0.05 0.61 -3.12 0.00 0.00 179.24 177.21 3hy1 n GLY 204 N -0.27 -0.65 0.41 2.75 0.00 -1.02 -4.89 105.19 101.52 3hy1 n GLY 204 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.43 3hy1 n GLY 204 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hy1 n ASP 205 N -2.93 1.15 0.02 1.61 8.00 -1.15 -4.07 116.55 119.17 3hy1 n ASP 205 Ca 0.11 -2.03 -0.08 0.00 0.71 0.00 0.00 54.79 53.51 3hy1 n ASP 205 Cb 0.51 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 3hy1 n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hy1 h ARG 206 N 1.11 -0.15 -4.73 -1.24 2.43 -1.86 -3.40 114.38 106.53 3hy1 h ARG 206 Ca 0.00 0.01 -0.71 0.00 -0.81 0.00 0.00 59.98 58.47 3hy1 h ARG 206 Cb 0.32 0.03 -0.20 0.00 -0.42 0.00 0.00 29.97 29.71 3hy1 h ARG 206 CO 0.01 0.23 0.42 0.71 -1.51 0.00 0.00 179.97 179.83 3hy1 s TYR 207 N -2.63 3.15 -0.08 2.20 2.02 -1.26 -0.69 117.35 120.06 3hy1 s TYR 207 Ca -0.09 -1.27 -0.19 0.00 -0.37 0.00 0.00 57.07 55.15 3hy1 s TYR 207 Cb -0.00 -4.11 -0.05 0.00 -0.40 0.00 0.00 41.96 37.40 3hy1 s TYR 207 CO 0.34 -1.35 0.51 0.42 -1.57 0.00 0.00 175.55 173.91 3hy1 s ILE 208 N 2.36 5.11 -0.29 2.71 -1.09 -0.45 -4.81 121.20 124.73 3hy1 s ILE 208 Ca 0.22 1.04 -0.29 0.00 -2.23 0.00 0.00 60.65 59.39 3hy1 s ILE 208 Cb -0.14 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 36.88 3hy1 s ILE 208 CO -0.02 0.36 1.54 -0.70 -1.23 0.00 0.00 174.94 174.90 3hy1 s GLU 209 N 0.31 3.70 -0.21 2.79 2.12 -1.26 -1.10 118.70 125.05 3hy1 s GLU 209 Ca 0.28 1.40 -0.05 0.00 0.36 0.00 0.00 54.97 56.95 3hy1 s GLU 209 Cb -0.16 -4.03 -0.20 0.00 0.26 0.00 0.00 34.13 30.00 3hy1 s GLU 209 CO 0.13 -1.41 0.01 -0.89 -0.54 0.00 0.00 175.26 172.56 3hy1 n ILE 210 N 6.68 1.60 -3.69 -3.70 2.08 0.05 -4.84 119.36 117.55 3hy1 n ILE 210 Ca 0.18 -0.52 -0.19 0.00 0.56 0.00 0.00 62.75 62.78 3hy1 n ILE 210 Cb 0.46 -1.65 -0.17 0.00 -0.75 0.00 0.00 39.64 37.53 3hy1 n ILE 210 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3hy1 s TRP 211 N -2.52 0.01 -0.16 1.39 -0.11 -1.17 -1.48 118.94 114.91 3hy1 s TRP 211 Ca -0.30 0.30 -0.06 0.00 1.22 0.00 0.00 56.10 57.25 3hy1 s TRP 211 Cb 0.09 -0.40 -0.04 0.00 -1.50 0.00 0.00 33.47 31.61 3hy1 s TRP 211 CO 0.65 -0.19 0.06 1.21 -4.62 0.00 0.00 176.95 174.06 3hy1 s ASN 212 N 2.01 5.66 -0.31 5.86 3.04 -0.40 -0.90 114.94 129.90 3hy1 s ASN 212 Ca 0.02 0.14 0.03 0.00 0.04 0.00 0.00 52.86 53.10 3hy1 s ASN 212 Cb -0.12 -1.90 0.09 0.00 -1.54 0.00 0.00 41.25 37.78 3hy1 s ASN 212 CO -0.04 0.24 0.01 -0.63 -3.04 0.00 0.00 177.10 173.64 3hy1 s ILE 213 N -0.02 2.07 -0.27 -5.21 1.01 0.31 -1.09 121.20 118.02 3hy1 s ILE 213 Ca 0.06 -2.01 -0.14 0.00 0.00 0.00 0.00 60.65 58.56 3hy1 s ILE 213 Cb -0.12 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3hy1 s ILE 213 CO 0.01 -0.44 0.34 -0.69 0.00 0.00 0.00 174.94 174.16 3hy1 s VAL 214 N 1.05 5.20 -0.87 2.92 1.01 0.16 -1.08 120.40 128.80 3hy1 s VAL 214 Ca 0.05 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 3hy1 s VAL 214 Cb -0.19 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.61 3hy1 s VAL 214 CO -0.09 0.18 1.18 -0.36 0.00 0.00 0.00 175.10 176.02 3hy1 s PHE 215 N 1.94 2.77 -0.29 5.22 0.08 -0.14 -0.28 117.98 127.29 3hy1 s PHE 215 Ca 0.14 -0.90 -0.28 0.00 0.12 0.00 0.00 56.93 56.01 3hy1 s PHE 215 Cb -0.16 -4.43 -0.04 0.00 -0.57 0.00 0.00 43.02 37.83 3hy1 s PHE 215 CO 0.10 -1.71 2.04 -1.64 -0.10 0.00 0.00 175.22 173.91 3hy1 s MET 216 N 3.93 3.16 -0.07 0.44 -1.94 0.22 -3.78 119.30 121.26 3hy1 s MET 216 Ca 0.34 1.71 -0.01 0.00 -1.71 0.00 0.00 55.69 56.02 3hy1 s MET 216 Cb -0.07 -4.31 -0.04 0.00 2.01 0.00 0.00 34.83 32.42 3hy1 s MET 216 CO -0.02 -2.06 -0.07 1.04 -0.01 0.00 0.00 175.02 173.90 3hy1 n GLN 217 N 8.64 0.17 -4.46 2.03 1.13 -0.14 -1.63 117.38 123.11 3hy1 n GLN 217 Ca 0.27 0.05 -0.26 0.00 -1.94 0.00 0.00 57.00 55.12 3hy1 n GLN 217 Cb 0.46 -1.04 -0.10 0.00 0.11 0.00 0.00 30.24 29.67 3hy1 n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hy1 s PHE 218 N -2.14 2.47 -0.05 1.08 0.08 -0.07 -0.56 117.98 118.80 3hy1 s PHE 218 Ca -0.09 -0.50 0.04 0.00 0.12 0.00 0.00 56.93 56.49 3hy1 s PHE 218 Cb 0.03 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 3hy1 s PHE 218 CO 0.15 0.52 -0.16 1.21 -0.10 0.00 0.00 175.22 176.84 3hy1 s ASN 219 N -3.67 2.09 -0.45 1.36 2.47 0.16 -0.44 114.94 116.46 3hy1 s ASN 219 Ca 0.34 -0.35 -0.17 0.00 0.42 0.00 0.00 52.86 53.11 3hy1 s ASN 219 Cb 0.02 -0.67 0.04 0.00 -1.45 0.00 0.00 41.25 39.20 3hy1 s ASN 219 CO 0.18 0.13 0.43 -0.60 -3.72 0.00 0.00 177.10 173.52 3hy1 s ARG 220 N 0.17 3.04 0.15 0.43 6.06 -0.05 -1.82 118.95 126.94 3hy1 s ARG 220 Ca -0.07 -0.99 -0.11 0.00 -2.50 0.00 0.00 55.73 52.07 3hy1 s ARG 220 Cb -0.12 -4.04 0.00 0.00 0.06 0.00 0.00 34.95 30.86 3hy1 s ARG 220 CO 0.03 -0.94 1.55 1.96 -2.50 0.00 0.00 175.30 175.40 3hy1 h GLN 221 N 8.76 0.97 0.00 5.12 4.20 -1.88 -0.70 115.11 131.58 3hy1 h GLN 221 Ca -0.27 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.04 3hy1 h GLN 221 Cb 1.11 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3hy1 h GLN 221 CO 0.83 1.07 0.00 0.00 -0.67 0.00 0.00 178.83 180.06 3hy1 n ALA 222 N -2.50 0.00 -1.06 3.87 0.00 -1.26 -4.92 120.51 114.64 3hy1 n ALA 222 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3hy1 n ALA 222 Cb 0.43 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.00 3hy1 n ALA 222 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3hy1 s ASP 223 N -4.00 3.78 0.60 0.00 -4.77 -1.26 -4.91 116.67 106.11 3hy1 s ASP 223 Ca 0.00 2.13 0.30 0.00 -3.30 0.00 0.00 52.55 51.68 3hy1 s ASP 223 Cb 0.00 -2.56 1.78 0.00 -1.09 0.00 0.00 42.92 41.05 3hy1 s ASP 223 CO 0.00 -2.53 2.18 1.23 0.70 0.00 0.00 175.17 176.75 3hy1 h GLY 224 N -1.16 0.00 -3.41 2.12 0.00 -1.98 -3.44 103.07 95.19 3hy1 h GLY 224 Ca -0.45 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.31 3hy1 h GLY 224 CO 0.47 0.00 0.19 -1.30 0.00 0.00 0.00 176.54 175.89 3hy1 n THR 225 N -3.75 2.81 -3.97 4.70 -2.24 -1.26 -4.88 114.28 105.69 3hy1 n THR 225 Ca -0.01 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 3hy1 n THR 225 Cb 0.20 -1.21 -0.14 0.00 -2.10 0.00 0.00 70.33 67.08 3hy1 n THR 225 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3hy1 s MET 226 N -2.26 1.74 0.47 -0.78 1.75 -1.26 -3.62 119.30 115.34 3hy1 s MET 226 Ca 0.67 -2.19 -0.20 0.00 -1.25 0.00 0.00 55.69 52.72 3hy1 s MET 226 Cb -0.50 -3.29 -0.09 0.00 2.84 0.00 0.00 34.83 33.78 3hy1 s MET 226 CO 0.54 -1.02 0.99 -1.83 -0.65 0.00 0.00 175.02 173.05 3hy1 s GLU 227 N 0.42 3.98 0.49 4.11 -1.05 -0.76 -4.80 118.70 121.09 3hy1 s GLU 227 Ca 0.13 1.18 -0.20 0.00 -0.15 0.00 0.00 54.97 55.93 3hy1 s GLU 227 Cb -0.22 -2.13 -0.08 0.00 -0.44 0.00 0.00 34.13 31.26 3hy1 s GLU 227 CO -0.05 -0.26 1.07 -2.14 0.95 0.00 0.00 175.26 174.83 3hy1 s PRO 228 N -3.39 3.71 0.37 -4.83 0.02 -1.26 0.37 135.00 129.98 3hy1 s PRO 228 Ca 0.63 1.45 -0.25 0.00 0.02 0.00 0.00 61.00 62.86 3hy1 s PRO 228 Cb -0.12 -2.11 -0.10 0.00 0.02 0.00 0.00 34.50 32.19 3hy1 s PRO 228 CO 0.20 -0.52 1.00 -0.51 -0.33 0.00 0.00 177.00 176.84 3hy1 s LEU 229 N -3.49 4.21 0.26 -5.54 1.43 0.28 -4.68 118.68 111.15 3hy1 s LEU 229 Ca 0.68 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.70 3hy1 s LEU 229 Cb -0.19 -4.14 0.51 0.00 0.03 0.00 0.00 46.19 42.40 3hy1 s LEU 229 CO 0.23 -0.31 1.75 -0.65 0.23 0.00 0.00 176.35 177.60 3hy1 h PRO 230 N 2.73 0.55 -3.51 1.29 0.11 -1.82 -3.39 132.00 127.96 3hy1 h PRO 230 Ca -0.48 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.19 3hy1 h PRO 230 Cb 1.20 -0.12 -0.39 0.00 0.11 0.00 0.00 31.00 31.80 3hy1 h PRO 230 CO 0.63 0.36 -0.75 0.15 -0.21 0.00 0.00 178.00 178.18 3hy1 s LYS 231 N -5.99 0.30 0.22 1.05 1.02 -1.26 -5.12 119.74 109.96 3hy1 s LYS 231 Ca -0.12 0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 3hy1 s LYS 231 Cb 0.21 -0.84 -0.15 0.00 -0.52 0.00 0.00 37.83 36.54 3hy1 s LYS 231 CO 0.77 -0.34 1.08 -2.30 -0.92 0.00 0.00 175.35 173.65 3hy1 n PRO 232 N 5.21 1.20 -4.18 -1.68 -0.02 -1.26 -4.40 135.00 129.87 3hy1 n PRO 232 Ca -0.05 0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3hy1 n PRO 232 Cb 0.50 -1.85 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 3hy1 n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hy1 s SER 233 N -0.25 0.25 -0.05 2.55 0.01 -0.65 -3.72 113.70 111.84 3hy1 s SER 233 Ca 0.67 -1.36 0.06 0.00 1.31 0.00 0.00 55.95 56.63 3hy1 s SER 233 Cb -0.79 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 3hy1 s SER 233 CO 0.55 -0.91 -0.23 -0.69 0.41 0.00 0.00 173.24 172.37 3hy1 s VAL 234 N -4.06 1.91 -0.10 3.43 1.01 -0.75 0.68 120.40 122.53 3hy1 s VAL 234 Ca 0.37 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3hy1 s VAL 234 Cb 0.05 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.85 3hy1 s VAL 234 CO 0.13 0.54 -0.02 -0.62 0.00 0.00 0.00 175.10 175.12 3hy1 s ASP 235 N -0.15 1.96 0.13 3.32 2.15 0.62 -1.04 116.67 123.66 3hy1 s ASP 235 Ca -0.03 -0.25 0.08 0.00 0.43 0.00 0.00 52.55 52.78 3hy1 s ASP 235 Cb -0.13 -0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 41.85 3hy1 s ASP 235 CO 0.03 -0.18 -0.20 0.42 -0.17 0.00 0.00 175.17 175.07 3hy1 s THR 236 N 1.86 1.78 -0.10 1.71 -4.23 -0.74 0.38 115.64 116.31 3hy1 s THR 236 Ca 0.04 -1.72 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3hy1 s THR 236 Cb -0.13 -1.70 0.05 0.00 1.34 0.00 0.00 72.50 72.06 3hy1 s THR 236 CO -0.07 -0.17 0.22 0.00 -0.54 0.00 0.00 174.62 174.07 3hy1 s ALA 237 N -1.55 -0.42 -0.14 3.99 0.00 -0.25 -3.25 121.76 120.15 3hy1 s ALA 237 Ca 0.11 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 3hy1 s ALA 237 Cb -0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 3hy1 s ALA 237 CO 0.05 -0.45 -0.02 1.41 0.00 0.00 0.00 175.76 176.75 3hy1 s MET 238 N 1.95 3.57 -0.30 0.00 1.75 0.36 -1.27 119.30 125.36 3hy1 s MET 238 Ca -0.02 -0.47 -0.29 0.00 -1.25 0.00 0.00 55.69 53.65 3hy1 s MET 238 Cb -0.12 -2.93 -0.01 0.00 2.84 0.00 0.00 34.83 34.62 3hy1 s MET 238 CO -0.08 0.34 1.48 0.20 -0.65 0.00 0.00 175.02 176.32 3hy1 s GLY 239 N 0.10 1.21 0.18 2.11 0.00 -0.55 0.37 107.32 110.74 3hy1 s GLY 239 Ca 0.01 0.18 -0.14 0.00 0.00 0.00 0.00 44.72 44.77 3hy1 s GLY 239 CO 0.02 2.83 1.70 -2.00 0.00 0.00 0.00 173.10 175.66 3hy1 h LEU 240 N 11.71 -0.09 -0.74 0.66 5.85 -1.55 -1.30 115.31 129.85 3hy1 h LEU 240 Ca -0.30 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3hy1 h LEU 240 Cb 1.12 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3hy1 h LEU 240 CO 1.03 -0.01 0.38 -0.33 -0.34 0.00 0.00 178.44 179.18 3hy1 h GLU 241 N 0.17 1.04 -0.35 1.25 3.07 -1.91 -1.15 114.58 116.70 3hy1 h GLU 241 Ca 0.23 -0.14 -0.16 0.00 -0.50 0.00 0.00 59.36 58.80 3hy1 h GLU 241 Cb 0.33 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3hy1 h GLU 241 CO -0.34 0.79 -0.41 0.00 -1.40 0.00 0.00 179.01 177.65 3hy1 h ARG 242 N 1.03 0.90 -0.05 2.33 3.08 -1.76 -1.75 114.38 118.15 3hy1 h ARG 242 Ca 0.26 -0.50 -0.13 0.00 0.07 0.00 0.00 59.98 59.68 3hy1 h ARG 242 Cb 0.07 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hy1 h ARG 242 CO -0.04 1.15 -0.56 0.97 -1.07 0.00 0.00 179.97 180.42 3hy1 h ILE 243 N 0.71 1.38 -0.24 2.04 6.09 -1.21 -2.76 117.51 123.53 3hy1 h ILE 243 Ca 0.05 -1.90 -0.07 0.00 -1.37 0.00 0.00 64.86 61.56 3hy1 h ILE 243 Cb 1.01 1.97 -0.01 0.00 0.47 0.00 0.00 36.82 40.26 3hy1 h ILE 243 CO 0.10 0.56 -0.17 0.00 -3.07 0.00 0.00 178.15 175.56 3hy1 h ALA 244 N 1.30 1.27 -0.58 0.18 0.00 -1.04 -1.17 119.26 119.22 3hy1 h ALA 244 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3hy1 h ALA 244 Cb 1.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3hy1 h ALA 244 CO 0.08 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.95 3hy1 h ALA 245 N 1.45 0.77 0.28 0.00 0.00 -1.04 -0.19 119.26 120.52 3hy1 h ALA 245 Ca 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hy1 h ALA 245 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hy1 h ALA 245 CO 0.03 0.49 -0.14 0.28 0.00 0.00 0.00 179.25 179.91 3hy1 h VAL 246 N 0.85 0.76 -0.15 0.00 2.07 -1.24 -0.43 116.25 118.11 3hy1 h VAL 246 Ca 0.18 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3hy1 h VAL 246 Cb 0.36 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3hy1 h VAL 246 CO 0.00 0.07 -0.20 -0.07 0.02 0.00 0.00 177.57 177.39 3hy1 h LEU 247 N -0.54 0.24 -1.33 2.57 3.38 -1.17 -2.12 115.31 116.34 3hy1 h LEU 247 Ca -0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hy1 h LEU 247 Cb 0.40 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hy1 h LEU 247 CO 0.06 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.06 3hy1 n GLN 248 N -4.20 1.85 -2.12 1.13 6.02 -0.09 -4.42 117.38 115.54 3hy1 n GLN 248 Ca -0.01 -1.31 -0.14 0.00 -0.01 0.00 0.00 57.00 55.53 3hy1 n GLN 248 Cb 0.33 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 3hy1 n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hy1 n HIS 249 N 0.55 -0.56 -4.05 1.08 8.25 -0.80 -5.01 115.22 114.69 3hy1 n HIS 249 Ca 0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.35 3hy1 n HIS 249 Cb 0.32 -2.94 -0.01 0.00 1.12 0.00 0.00 29.99 28.48 3hy1 n HIS 249 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3hy1 n VAL 250 N -3.76 0.00 -0.03 1.59 0.24 -0.20 -5.04 118.33 111.13 3hy1 n VAL 250 Ca -0.16 -1.99 -0.03 0.00 -2.04 0.00 0.00 64.34 60.12 3hy1 n VAL 250 Cb 0.60 0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.98 3hy1 n VAL 250 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3hy1 n ASN 251 N -1.71 3.68 -4.88 -1.34 5.03 -1.26 -4.31 115.26 110.46 3hy1 n ASN 251 Ca -0.06 -0.01 -0.35 0.00 0.87 0.00 0.00 54.58 55.02 3hy1 n ASN 251 Cb 0.56 0.37 -0.05 0.00 -1.02 0.00 0.00 39.78 39.64 3hy1 n ASN 251 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hy1 s SER 252 N -3.96 6.47 0.65 6.41 0.15 -1.26 -4.92 113.70 117.24 3hy1 s SER 252 Ca -0.05 0.54 0.42 0.00 0.70 0.00 0.00 55.95 57.56 3hy1 s SER 252 Cb 0.02 -2.08 2.29 0.00 -1.71 0.00 0.00 66.02 64.53 3hy1 s SER 252 CO 0.18 0.30 2.34 0.78 1.20 0.00 0.00 173.24 178.05 3hy1 h ASN 253 N 4.28 0.00 -0.17 5.45 4.21 -1.31 -2.11 115.58 125.93 3hy1 h ASN 253 Ca -0.51 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3hy1 h ASN 253 Cb 1.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 3hy1 h ASN 253 CO 0.64 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 175.56 3hy1 n TYR 254 N -3.23 0.21 0.70 1.19 4.01 -1.26 -3.16 117.16 115.62 3hy1 n TYR 254 Ca -0.03 -0.11 0.08 0.00 -0.16 0.00 0.00 57.90 57.68 3hy1 n TYR 254 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 3hy1 n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hy1 n ASP 255 N 0.26 1.52 -4.77 7.72 8.00 -0.79 -3.97 116.55 124.51 3hy1 n ASP 255 Ca 0.16 -1.26 -0.32 0.00 0.71 0.00 0.00 54.79 54.08 3hy1 n ASP 255 Cb 0.31 0.52 0.07 0.00 -0.02 0.00 0.00 41.12 41.99 3hy1 n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hy1 s ILE 256 N -1.92 3.27 0.22 0.53 -4.36 -1.19 -4.60 121.20 113.15 3hy1 s ILE 256 Ca 0.12 0.51 -0.19 0.00 -0.26 0.00 0.00 60.65 60.83 3hy1 s ILE 256 Cb 0.13 -3.02 0.19 0.00 1.25 0.00 0.00 42.46 41.01 3hy1 s ILE 256 CO 0.42 -0.45 1.56 -2.24 0.24 0.00 0.00 174.94 174.47 3hy1 h ASP 257 N -0.48 -1.44 1.26 4.36 2.03 -1.93 -0.05 116.42 120.17 3hy1 h ASP 257 Ca -0.45 0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 3hy1 h ASP 257 Cb 1.24 0.74 0.00 0.00 -0.83 0.00 0.00 39.33 40.48 3hy1 h ASP 257 CO 0.53 -0.29 0.00 0.17 -1.03 0.00 0.00 179.24 178.62 3hy1 h LEU 258 N -0.04 0.00 0.04 0.15 -0.00 -1.91 -2.74 115.31 110.81 3hy1 h LEU 258 Ca 0.31 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.89 3hy1 h LEU 258 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 3hy1 h LEU 258 CO -0.92 0.00 -1.70 -0.26 -0.00 0.00 0.00 178.44 175.56 3hy1 h PHE 259 N 0.00 0.14 -0.30 0.17 -1.00 -1.41 -2.79 116.94 111.75 3hy1 h PHE 259 Ca 0.00 -0.10 0.06 0.00 2.81 0.00 0.00 57.97 60.74 3hy1 h PHE 259 Cb 0.63 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.12 3hy1 h PHE 259 CO 0.00 1.19 -0.10 0.00 -1.61 0.00 0.00 178.31 177.79 3hy1 h ARG 260 N 0.02 -0.03 -0.11 1.51 3.08 -0.79 0.02 114.38 118.07 3hy1 h ARG 260 Ca -0.29 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.56 3hy1 h ARG 260 Cb 2.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.06 3hy1 h ARG 260 CO 0.09 -0.02 -0.74 1.15 -1.07 0.00 0.00 179.97 179.38 3hy1 h THR 261 N -0.03 1.33 -0.26 2.04 2.02 -1.63 -2.89 112.91 113.48 3hy1 h THR 261 Ca 0.15 -2.06 -0.12 0.00 0.77 0.00 0.00 66.41 65.16 3hy1 h THR 261 Cb 0.26 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3hy1 h THR 261 CO -0.33 0.63 -0.32 0.25 0.37 0.00 0.00 175.52 176.12 3hy1 h LEU 262 N 0.39 0.58 -0.64 2.58 5.85 -1.27 -2.19 115.31 120.61 3hy1 h LEU 262 Ca -0.04 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.32 3hy1 h LEU 262 Cb 1.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3hy1 h LEU 262 CO 0.14 0.86 -0.45 0.40 -0.34 0.00 0.00 178.44 179.05 3hy1 h ILE 263 N 0.48 1.31 -0.34 4.05 2.04 -1.00 -2.37 117.51 121.67 3hy1 h ILE 263 Ca 0.06 -1.65 -0.07 0.00 1.00 0.00 0.00 64.86 64.20 3hy1 h ILE 263 Cb 0.79 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3hy1 h ILE 263 CO 0.06 0.51 -0.07 1.56 0.00 0.00 0.00 178.15 180.21 3hy1 h GLN 264 N 0.43 0.56 0.00 2.37 4.20 -1.28 -0.12 115.11 121.28 3hy1 h GLN 264 Ca 0.03 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 3hy1 h GLN 264 Cb 0.96 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3hy1 h GLN 264 CO 0.09 0.64 -0.43 0.00 -0.67 0.00 0.00 178.83 178.46 3hy1 h ALA 265 N 1.40 1.25 -0.11 3.87 0.00 -1.19 -1.55 119.26 122.94 3hy1 h ALA 265 Ca 0.10 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 3hy1 h ALA 265 Cb 0.45 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hy1 h ALA 265 CO 0.02 0.53 -0.61 0.28 0.00 0.00 0.00 179.25 179.47 3hy1 h VAL 266 N 0.00 1.34 -0.28 0.00 2.07 -0.82 -3.03 116.25 115.53 3hy1 h VAL 266 Ca -0.00 -1.90 -0.04 0.00 0.82 0.00 0.00 66.70 65.57 3hy1 h VAL 266 Cb 0.77 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 3hy1 h VAL 266 CO 0.06 0.58 -0.00 0.00 0.02 0.00 0.00 177.57 178.22 3hy1 h ALA 267 N 0.48 1.48 0.05 1.67 0.00 -0.87 -2.32 119.26 119.76 3hy1 h ALA 267 Ca -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hy1 h ALA 267 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hy1 h ALA 267 CO 0.13 0.37 -0.03 -0.22 0.00 0.00 0.00 179.25 179.50 3hy1 h LYS 268 N 0.41 -0.07 -0.00 0.00 3.64 -1.27 -2.33 116.57 116.94 3hy1 h LYS 268 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3hy1 h LYS 268 Cb 0.28 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hy1 h LYS 268 CO 0.01 0.13 -0.21 1.33 -2.27 0.00 0.00 179.45 178.43 3hy1 n VAL 269 N -5.04 0.00 0.20 2.00 0.24 -1.15 -3.75 118.33 110.84 3hy1 n VAL 269 Ca -0.08 -0.07 0.04 0.00 -2.04 0.00 0.00 64.34 62.19 3hy1 n VAL 269 Cb 0.13 0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.54 3hy1 n VAL 269 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3hy1 n THR 270 N -0.97 0.00 -1.22 3.34 -2.24 -0.88 -4.67 114.28 107.63 3hy1 n THR 270 Ca 0.12 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 3hy1 n THR 270 Cb 0.31 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 3hy1 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hy1 n GLY 271 N 1.61 0.64 3.74 3.38 0.00 -0.89 -2.54 105.19 111.12 3hy1 n GLY 271 Ca -0.00 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 3hy1 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hy1 n ALA 272 N 0.83 1.76 -0.04 4.61 0.00 -1.10 -4.92 120.51 121.65 3hy1 n ALA 272 Ca -0.04 0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.65 3hy1 n ALA 272 Cb 0.17 -2.35 -0.16 0.00 0.00 0.00 0.00 19.45 17.11 3hy1 n ALA 272 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hy1 n THR 273 N -0.40 0.52 -4.38 0.00 -2.24 -1.26 -4.88 114.28 101.63 3hy1 n THR 273 Ca 0.07 -0.61 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 3hy1 n THR 273 Cb 0.42 -0.18 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 3hy1 n THR 273 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hy1 s ASP 274 N -4.76 1.09 0.00 3.42 3.84 -1.26 -5.04 116.67 113.95 3hy1 s ASP 274 Ca -0.08 -0.17 0.26 0.00 -0.00 0.00 0.00 52.55 52.56 3hy1 s ASP 274 Cb 0.10 -0.13 1.31 0.00 -1.38 0.00 0.00 42.92 42.82 3hy1 s ASP 274 CO 0.83 0.11 1.87 0.18 -0.00 0.00 0.00 175.17 178.16 3hy1 n LEU 275 N 2.88 0.67 -1.79 2.11 4.77 -1.26 -3.86 117.00 120.51 3hy1 n LEU 275 Ca -0.14 -0.25 -0.18 0.00 -0.03 0.00 0.00 56.01 55.42 3hy1 n LEU 275 Cb 0.57 -0.02 0.16 0.00 -2.33 0.00 0.00 43.42 41.79 3hy1 n LEU 275 CO 0.25 0.12 0.96 -1.54 -1.33 0.00 0.00 177.39 175.86 3hy1 n SER 276 N -0.43 4.00 -4.89 -1.43 3.41 -1.26 -4.98 113.62 108.04 3hy1 n SER 276 Ca 0.19 -3.73 -0.34 0.00 -0.26 0.00 0.00 58.87 54.73 3hy1 n SER 276 Cb 0.20 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 3hy1 n SER 276 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hy1 s ASN 277 N -2.13 6.47 0.21 4.04 3.84 -1.25 -5.01 114.94 121.11 3hy1 s ASN 277 Ca 0.53 0.52 -0.10 0.00 0.21 0.00 0.00 52.86 54.02 3hy1 s ASN 277 Cb 0.45 -2.07 0.26 0.00 -0.55 0.00 0.00 41.25 39.34 3hy1 s ASN 277 CO 0.03 0.21 1.76 0.50 -2.79 0.00 0.00 177.10 176.81 3hy1 h LYS 278 N 3.69 0.43 -0.12 0.43 3.64 -1.95 -2.88 116.57 119.82 3hy1 h LYS 278 Ca -0.49 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 3hy1 h LYS 278 Cb 1.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3hy1 h LYS 278 CO 0.68 0.29 -0.17 0.77 -2.27 0.00 0.00 179.45 178.75 3hy1 h SER 279 N 0.45 0.18 -0.63 4.20 0.02 -1.94 -2.34 113.55 113.48 3hy1 h SER 279 Ca 0.30 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3hy1 h SER 279 Cb 0.33 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3hy1 h SER 279 CO -0.28 0.37 0.21 -0.07 -1.14 0.00 0.00 176.83 175.92 3hy1 h LEU 280 N 0.18 0.91 -0.42 5.07 3.38 -1.90 -1.13 115.31 121.40 3hy1 h LEU 280 Ca 0.03 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3hy1 h LEU 280 Cb 0.41 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hy1 h LEU 280 CO 0.03 0.87 -0.10 0.03 0.09 0.00 0.00 178.44 179.35 3hy1 h ARG 281 N 0.90 0.81 -0.49 1.13 3.08 -1.51 -1.83 114.38 116.47 3hy1 h ARG 281 Ca 0.20 -0.31 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3hy1 h ARG 281 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3hy1 h ARG 281 CO -0.01 0.93 0.32 0.28 -1.07 0.00 0.00 179.97 180.42 3hy1 h VAL 282 N 0.63 1.12 -0.36 2.04 2.07 -1.22 -0.83 116.25 119.70 3hy1 h VAL 282 Ca 0.11 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 3hy1 h VAL 282 Cb 0.63 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hy1 h VAL 282 CO 0.04 0.12 -0.14 0.40 0.02 0.00 0.00 177.57 178.01 3hy1 h ILE 283 N 0.65 1.28 -0.84 4.57 2.04 -1.18 -0.35 117.51 123.68 3hy1 h ILE 283 Ca 0.18 -1.25 0.03 0.00 1.00 0.00 0.00 64.86 64.82 3hy1 h ILE 283 Cb -0.07 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3hy1 h ILE 283 CO -0.04 0.41 0.55 0.00 0.00 0.00 0.00 178.15 179.08 3hy1 h ALA 284 N 0.80 1.46 0.05 1.87 0.00 -1.15 -1.49 119.26 120.80 3hy1 h ALA 284 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hy1 h ALA 284 Cb 0.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hy1 h ALA 284 CO 0.05 0.47 -0.02 0.22 0.00 0.00 0.00 179.25 179.97 3hy1 h ASP 285 N 1.07 -0.06 0.27 0.00 3.58 -0.93 -3.32 116.42 117.04 3hy1 h ASP 285 Ca 0.33 -0.34 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 3hy1 h ASP 285 Cb -0.02 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3hy1 h ASP 285 CO -0.09 0.32 -0.24 0.45 -2.88 0.00 0.00 179.24 176.80 3hy1 h HIS 286 N -0.44 0.00 -0.06 0.28 3.86 -0.68 -1.60 115.15 116.51 3hy1 h HIS 286 Ca -0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3hy1 h HIS 286 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3hy1 h HIS 286 CO 0.05 0.24 -0.30 0.97 0.86 0.00 0.00 177.93 179.76 3hy1 h ILE 287 N 0.00 1.24 -0.23 2.45 6.09 -1.38 -0.83 117.51 124.85 3hy1 h ILE 287 Ca -0.00 -1.12 -0.09 0.00 -1.37 0.00 0.00 64.86 62.27 3hy1 h ILE 287 Cb 0.45 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 39.26 3hy1 h ILE 287 CO 0.03 0.33 -0.23 0.03 -3.07 0.00 0.00 178.15 175.24 3hy1 h ARG 288 N 0.09 0.55 0.81 2.19 3.08 -1.39 -1.37 114.38 118.35 3hy1 h ARG 288 Ca 0.01 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 3hy1 h ARG 288 Cb 0.58 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.65 3hy1 h ARG 288 CO 0.04 0.88 -0.39 0.77 -1.07 0.00 0.00 179.97 180.21 3hy1 h SER 289 N 0.25 -0.92 0.19 7.04 0.02 -1.34 -2.76 113.55 116.03 3hy1 h SER 289 Ca 0.04 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3hy1 h SER 289 Cb 0.78 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3hy1 h SER 289 CO 0.06 -0.60 -0.09 0.00 -1.14 0.00 0.00 176.83 175.05 3hy1 h ALA 291 N 0.54 0.19 -0.47 0.00 0.00 -1.36 -1.49 119.26 116.67 3hy1 h ALA 291 Ca -0.03 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3hy1 h ALA 291 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hy1 h ALA 291 CO 0.04 -0.40 -0.08 0.74 0.00 0.00 0.00 179.25 179.55 3hy1 h PHE 292 N 0.11 0.99 -0.32 0.00 0.04 -1.41 -1.14 116.94 115.21 3hy1 h PHE 292 Ca 0.08 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.67 3hy1 h PHE 292 Cb 0.08 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3hy1 h PHE 292 CO -0.14 0.96 0.15 -0.07 -0.60 0.00 0.00 178.31 178.61 3hy1 h LEU 293 N 0.73 0.22 -0.36 1.54 3.38 -0.85 -0.09 115.31 119.88 3hy1 h LEU 293 Ca 0.12 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3hy1 h LEU 293 Cb 0.62 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3hy1 h LEU 293 CO 0.04 0.16 0.19 0.40 0.09 0.00 0.00 178.44 179.33 3hy1 h ILE 294 N 0.32 1.15 -0.09 1.22 2.04 -1.21 -0.88 117.51 120.07 3hy1 h ILE 294 Ca 0.13 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3hy1 h ILE 294 Cb 0.06 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3hy1 h ILE 294 CO -0.10 0.16 0.07 0.00 0.00 0.00 0.00 178.15 178.28 3hy1 h ALA 295 N 1.05 1.93 -0.05 1.87 0.00 -0.78 0.13 119.26 123.41 3hy1 h ALA 295 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hy1 h ALA 295 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hy1 h ALA 295 CO -0.02 -0.12 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 3hy1 n ASP 296 N -4.28 1.23 0.00 0.00 9.92 -0.08 -4.91 116.55 118.42 3hy1 n ASP 296 Ca -0.01 -1.47 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 3hy1 n ASP 296 Cb 0.18 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3hy1 n ASP 296 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hy1 n GLY 297 N 1.12 1.11 3.55 0.44 0.00 0.44 -4.78 105.19 107.07 3hy1 n GLY 297 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3hy1 n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hy1 s VAL 298 N -2.00 4.71 -0.12 1.61 1.01 -0.39 -4.99 120.40 120.24 3hy1 s VAL 298 Ca 0.00 0.50 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 3hy1 s VAL 298 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 3hy1 s VAL 298 CO 0.00 -0.60 0.41 -0.04 0.00 0.00 0.00 175.10 174.87 3hy1 s MET 299 N 3.13 4.28 0.45 2.72 -1.94 -1.26 -3.80 119.30 122.88 3hy1 s MET 299 Ca 0.29 0.33 -0.24 0.00 -1.71 0.00 0.00 55.69 54.36 3hy1 s MET 299 Cb -0.13 -3.42 -0.09 0.00 2.01 0.00 0.00 34.83 33.20 3hy1 s MET 299 CO 0.20 0.22 1.07 -0.35 -0.01 0.00 0.00 175.02 176.16 3hy1 n PRO 300 N 3.50 1.43 -3.03 2.03 -0.04 -1.26 -4.27 135.00 133.36 3hy1 n PRO 300 Ca -0.09 0.52 -0.04 0.00 -0.04 0.00 0.00 63.50 63.85 3hy1 n PRO 300 Cb 0.52 -2.15 0.02 0.00 -0.04 0.00 0.00 33.50 31.85 3hy1 n PRO 300 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hy1 n SER 301 N 0.24 -1.35 -0.62 3.54 2.88 -0.88 -4.92 113.62 112.50 3hy1 n SER 301 Ca 0.09 -1.81 0.07 0.00 -1.33 0.00 0.00 58.87 55.89 3hy1 n SER 301 Cb 0.40 2.22 0.09 0.00 -0.75 0.00 0.00 64.21 66.17 3hy1 n SER 301 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3hy1 n ASN 302 N -1.19 2.42 -4.25 -3.46 3.02 -1.26 -2.62 115.26 107.92 3hy1 n ASN 302 Ca -0.03 -1.69 -0.30 0.00 -0.03 0.00 0.00 54.58 52.52 3hy1 n ASN 302 Cb 0.40 -0.07 -0.16 0.00 -0.61 0.00 0.00 39.78 39.34 3hy1 n ASN 302 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hy1 s GLU 303 N -1.13 2.33 6.54 3.52 8.01 -1.26 -4.76 118.70 131.94 3hy1 s GLU 303 Ca 0.20 -0.85 0.00 0.00 0.01 0.00 0.00 54.97 54.32 3hy1 s GLU 303 Cb 0.13 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.93 3hy1 s GLU 303 CO 0.18 0.38 0.00 0.09 0.01 0.00 0.00 175.26 175.93 3hy1 n ASN 304 N 2.90 0.00 -0.06 -0.19 3.02 -1.26 -2.37 115.26 117.29 3hy1 n ASN 304 Ca -0.17 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.33 3hy1 n ASN 304 Cb 0.52 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.86 3hy1 n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hy1 h ARG 305 N 0.00 0.68 -0.71 3.52 3.08 -1.96 -2.64 114.38 116.35 3hy1 h ARG 305 Ca 0.00 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.84 3hy1 h ARG 305 Cb 0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3hy1 h ARG 305 CO 0.00 0.77 0.47 0.78 -1.07 0.00 0.00 179.97 180.93 3hy1 h GLY 306 N 0.97 1.00 1.34 0.04 0.00 -1.65 -2.07 103.07 102.70 3hy1 h GLY 306 Ca 0.11 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 3hy1 h GLY 306 CO 0.03 0.37 -0.60 -1.82 0.00 0.00 0.00 176.54 174.52 3hy1 h TYR 307 N 0.97 0.87 -0.55 5.60 3.20 -1.22 -0.32 116.97 125.52 3hy1 h TYR 307 Ca 0.26 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3hy1 h TYR 307 Cb -0.11 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3hy1 h TYR 307 CO 0.00 1.11 0.35 0.28 -1.64 0.00 0.00 178.16 178.26 3hy1 h VAL 308 N 0.51 1.15 0.20 1.81 2.07 -1.30 0.15 116.25 120.85 3hy1 h VAL 308 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3hy1 h VAL 308 Cb 1.18 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3hy1 h VAL 308 CO 0.12 0.15 -0.18 0.25 0.02 0.00 0.00 177.57 177.93 3hy1 h LEU 309 N 0.74 -0.47 -0.64 2.57 5.85 -1.26 -2.01 115.31 120.08 3hy1 h LEU 309 Ca 0.20 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.08 3hy1 h LEU 309 Cb -0.05 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3hy1 h LEU 309 CO -0.04 -0.27 0.20 -0.09 -0.34 0.00 0.00 178.44 177.90 3hy1 h ARG 310 N -0.40 0.33 -0.27 1.25 2.43 -0.66 -0.46 114.38 116.60 3hy1 h ARG 310 Ca -0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3hy1 h ARG 310 Cb 0.37 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3hy1 h ARG 310 CO -0.03 0.22 0.01 0.00 -1.51 0.00 0.00 179.97 178.66 3hy1 h ARG 311 N 0.34 0.09 -0.58 0.20 3.08 -0.48 -0.24 114.38 116.79 3hy1 h ARG 311 Ca 0.34 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 3hy1 h ARG 311 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3hy1 h ARG 311 CO -0.38 0.06 0.29 0.82 -1.07 0.00 0.00 179.97 179.69 3hy1 h ILE 312 N 0.10 1.21 0.34 2.04 2.04 -0.58 -0.26 117.51 122.39 3hy1 h ILE 312 Ca 0.13 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3hy1 h ILE 312 Cb 0.16 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3hy1 h ILE 312 CO -0.21 0.23 -0.30 0.40 0.00 0.00 0.00 178.15 178.27 3hy1 h ILE 313 N 0.79 0.36 -0.87 -0.67 2.04 -0.71 -1.53 117.51 116.93 3hy1 h ILE 313 Ca 0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.07 3hy1 h ILE 313 Cb 0.11 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 3hy1 h ILE 313 CO -0.03 0.00 0.58 0.03 0.00 0.00 0.00 178.15 178.73 3hy1 h ARG 314 N -0.66 1.14 -0.56 2.37 3.08 -0.87 -0.62 114.38 118.26 3hy1 h ARG 314 Ca -0.02 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3hy1 h ARG 314 Cb 0.59 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3hy1 h ARG 314 CO -0.04 0.76 0.18 0.00 -1.07 0.00 0.00 179.97 179.80 3hy1 h ARG 315 N 1.18 0.82 -0.29 0.04 3.08 -0.86 -1.11 114.38 117.23 3hy1 h ARG 315 Ca 0.32 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 3hy1 h ARG 315 Cb -0.13 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.78 3hy1 h ARG 315 CO -0.07 0.71 -0.53 0.00 -1.07 0.00 0.00 179.97 179.01 3hy1 h ALA 316 N 1.40 0.46 -0.73 0.04 0.00 -0.19 -2.81 119.26 117.42 3hy1 h ALA 316 Ca 0.19 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hy1 h ALA 316 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hy1 h ALA 316 CO -0.01 0.66 0.38 0.28 0.00 0.00 0.00 179.25 180.56 3hy1 h VAL 317 N 0.66 1.23 -0.92 0.00 2.07 -0.93 -1.91 116.25 116.45 3hy1 h VAL 317 Ca 0.02 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.03 3hy1 h VAL 317 Cb 1.14 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3hy1 h VAL 317 CO 0.12 0.26 0.57 -0.09 0.02 0.00 0.00 177.57 178.45 3hy1 h ARG 318 N 1.00 0.95 -0.39 1.57 1.12 -1.10 0.33 114.38 117.87 3hy1 h ARG 318 Ca 0.25 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.95 3hy1 h ARG 318 Cb 0.07 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 3hy1 h ARG 318 CO -0.04 0.63 -0.20 0.45 -3.11 0.00 0.00 179.97 177.70 3hy1 h HIS 319 N 0.98 0.95 -0.56 2.20 3.86 -1.21 -1.95 115.15 119.42 3hy1 h HIS 319 Ca 0.42 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3hy1 h HIS 319 Cb 0.30 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3hy1 h HIS 319 CO -0.03 1.00 0.36 0.78 0.86 0.00 0.00 177.93 180.90 3hy1 h GLY 320 N 0.62 0.80 0.78 2.45 0.00 -0.65 -1.13 103.07 105.94 3hy1 h GLY 320 Ca 0.08 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.14 3hy1 h GLY 320 CO 0.06 0.30 0.37 -0.57 0.00 0.00 0.00 176.54 176.70 3hy1 h ASN 321 N 0.75 0.57 -0.41 0.19 -0.73 -0.90 -1.57 115.58 113.49 3hy1 h ASN 321 Ca 0.20 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.36 3hy1 h ASN 321 Cb -0.06 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 3hy1 h ASN 321 CO -0.04 0.39 0.18 -0.03 -0.37 0.00 0.00 177.43 177.55 3hy1 h MET 322 N 0.70 0.67 0.00 6.67 4.05 -0.86 -1.96 114.93 124.21 3hy1 h MET 322 Ca 0.27 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 3hy1 h MET 322 Cb 0.10 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 3hy1 h MET 322 CO -0.14 0.56 -0.09 -0.07 0.23 0.00 0.00 176.91 177.40 3hy1 h LEU 323 N 0.66 0.00 0.00 3.39 3.38 -0.53 -3.46 115.31 118.75 3hy1 h LEU 323 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hy1 h LEU 323 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hy1 h LEU 323 CO -0.01 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3hy1 n GLY 324 N 0.20 1.77 3.63 0.83 0.00 -0.73 -4.31 105.19 106.59 3hy1 n GLY 324 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 3hy1 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hy1 n ALA 325 N -0.43 1.02 0.17 4.61 0.00 -0.65 -4.72 120.51 120.50 3hy1 n ALA 325 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.66 3hy1 n ALA 325 Cb 0.00 -2.56 0.10 0.00 0.00 0.00 0.00 19.45 16.99 3hy1 n ALA 325 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hy1 h LYS 326 N 10.50 0.00 -3.78 0.00 1.57 -1.83 -3.45 116.57 119.59 3hy1 h LYS 326 Ca -0.44 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.22 3hy1 h LYS 326 Cb 1.28 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 3hy1 h LYS 326 CO 0.96 0.30 -0.14 -1.83 -0.57 0.00 0.00 179.45 178.17 3hy1 s GLU 327 N -3.08 1.66 -0.20 3.15 -1.05 -1.26 -5.11 118.70 112.81 3hy1 s GLU 327 Ca 0.05 -1.41 -0.41 0.00 -0.15 0.00 0.00 54.97 53.05 3hy1 s GLU 327 Cb 0.07 0.46 -0.18 0.00 -0.44 0.00 0.00 34.13 34.04 3hy1 s GLU 327 CO 0.71 -0.69 1.45 2.41 0.95 0.00 0.00 175.26 180.09 3hy1 n THR 328 N -0.43 0.08 0.00 1.83 -1.04 -1.26 -4.83 114.28 108.63 3hy1 n THR 328 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3hy1 n THR 328 Cb 0.62 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 3hy1 n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hy1 n PHE 329 N 3.44 0.00 -0.32 -1.42 1.16 -1.26 -4.89 117.46 114.18 3hy1 n PHE 329 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.78 3hy1 n PHE 329 Cb 0.08 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.03 3hy1 n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hy1 h PHE 330 N 0.00 1.21 0.00 2.97 3.57 -1.90 -1.89 116.94 120.90 3hy1 h PHE 330 Ca 0.00 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 3hy1 h PHE 330 Cb 0.53 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3hy1 h PHE 330 CO 0.00 0.85 -0.14 0.10 -2.23 0.00 0.00 178.31 176.89 3hy1 h TYR 331 N 1.21 0.00 0.00 0.41 -0.00 -1.87 -2.61 116.97 114.11 3hy1 h TYR 331 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.03 3hy1 h TYR 331 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.81 3hy1 h TYR 331 CO 0.01 0.14 0.00 1.63 -0.00 0.00 0.00 178.16 179.95 3hy1 n LYS 332 N -3.47 0.11 0.00 0.10 5.02 -0.71 -2.36 118.16 116.84 3hy1 n LYS 332 Ca -0.01 0.38 0.13 0.00 -2.02 0.00 0.00 58.31 56.79 3hy1 n LYS 332 Cb 0.31 -1.72 0.33 0.00 -0.02 0.00 0.00 35.03 33.93 3hy1 n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hy1 n LEU 333 N -1.93 0.91 -0.01 -0.35 4.77 -0.98 -4.06 117.00 115.34 3hy1 n LEU 333 Ca 0.02 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 3hy1 n LEU 333 Cb 0.18 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3hy1 n LEU 333 CO 0.15 0.18 0.81 0.58 -1.33 0.00 0.00 177.39 177.78 3hy1 h VAL 334 N 0.91 1.16 0.15 4.08 2.07 -1.65 -1.81 116.25 121.15 3hy1 h VAL 334 Ca 0.00 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3hy1 h VAL 334 Cb 0.51 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3hy1 h VAL 334 CO 0.00 0.14 -0.39 1.23 0.02 0.00 0.00 177.57 178.57 3hy1 h GLY 335 N -0.03 -1.17 1.20 2.17 0.00 -1.78 -0.27 103.07 103.18 3hy1 h GLY 335 Ca 0.03 0.60 0.11 0.00 0.00 0.00 0.00 47.33 48.07 3hy1 h GLY 335 CO -0.00 -0.33 0.29 -2.55 0.00 0.00 0.00 176.54 173.96 3hy1 h PRO 336 N -0.59 0.00 -0.38 4.80 0.11 -1.77 -0.91 132.00 133.26 3hy1 h PRO 336 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 3hy1 h PRO 336 Cb 0.58 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3hy1 h PRO 336 CO -0.18 0.00 -0.30 1.25 -0.21 0.00 0.00 178.00 178.56 3hy1 h LEU 337 N 0.00 0.92 -0.92 2.35 5.85 -0.67 -2.61 115.31 120.23 3hy1 h LEU 337 Ca 0.19 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3hy1 h LEU 337 Cb 0.77 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3hy1 h LEU 337 CO -0.00 1.17 0.42 0.40 -0.34 0.00 0.00 178.44 180.10 3hy1 h ILE 338 N 0.68 1.25 0.11 4.05 2.04 0.31 -3.07 117.51 122.88 3hy1 h ILE 338 Ca 0.07 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 3hy1 h ILE 338 Cb 0.89 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3hy1 h ILE 338 CO 0.08 0.30 -0.05 0.44 0.00 0.00 0.00 178.15 178.92 3hy1 h ASP 339 N 1.19 -0.12 0.00 1.72 3.32 -1.34 -1.88 116.42 119.31 3hy1 h ASP 339 Ca 0.29 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hy1 h ASP 339 Cb 0.09 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3hy1 h ASP 339 CO -0.04 0.11 0.00 1.33 -1.72 0.00 0.00 179.24 178.92 3hy1 n VAL 340 N -5.06 0.00 -0.02 -1.35 0.24 -0.99 -3.44 118.33 107.71 3hy1 n VAL 340 Ca -0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.18 3hy1 n VAL 340 Cb 0.16 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.03 3hy1 n VAL 340 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hy1 n MET 341 N -0.83 0.08 0.00 7.34 2.81 -1.17 -4.78 117.12 120.58 3hy1 n MET 341 Ca 0.11 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3hy1 n MET 341 Cb 0.05 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3hy1 n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hy1 n GLY 342 N 3.05 1.04 0.37 3.03 0.00 -0.72 -2.94 105.19 109.03 3hy1 n GLY 342 Ca -0.07 0.50 0.13 0.00 0.00 0.00 0.00 46.02 46.59 3hy1 n GLY 342 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hy1 h SER 343 N 0.00 0.67 1.16 1.61 0.02 -1.94 -1.55 113.55 113.53 3hy1 h SER 343 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3hy1 h SER 343 Cb 0.00 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3hy1 h SER 343 CO 0.00 0.30 -0.32 0.00 -1.14 0.00 0.00 176.83 175.66 3hy1 n ALA 344 N -2.41 2.62 -1.35 3.77 0.00 -1.15 -3.63 120.51 118.35 3hy1 n ALA 344 Ca 0.20 -0.14 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 3hy1 n ALA 344 Cb 0.54 -1.31 0.13 0.00 0.00 0.00 0.00 19.45 18.80 3hy1 n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hy1 n GLY 345 N 1.32 5.30 0.45 0.00 0.00 -0.58 -4.77 105.19 106.92 3hy1 n GLY 345 Ca 0.04 -1.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 3hy1 n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hy1 h GLU 346 N 1.53 -0.92 -0.12 1.61 5.08 -1.63 -2.22 114.58 117.92 3hy1 h GLU 346 Ca 0.57 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 59.02 3hy1 h GLU 346 Cb 1.73 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 3hy1 h GLU 346 CO 1.23 -0.61 0.10 -0.44 -1.00 0.00 0.00 179.01 178.29 3hy1 h ASP 347 N -0.96 0.00 1.44 1.42 3.32 -1.92 -1.66 116.42 118.06 3hy1 h ASP 347 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hy1 h ASP 347 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3hy1 h ASP 347 CO -0.01 0.00 0.00 0.25 -1.72 0.00 0.00 179.24 177.76 3hy1 h LEU 348 N 0.00 0.00 0.09 1.55 5.85 -1.66 -2.97 115.31 118.17 3hy1 h LEU 348 Ca 0.06 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 3hy1 h LEU 348 Cb 0.26 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.31 3hy1 h LEU 348 CO -0.00 0.00 -0.66 0.11 -0.34 0.00 0.00 178.44 177.55 3hy1 h LYS 349 N 0.00 0.29 -0.12 1.25 6.56 -0.93 -3.27 116.57 120.36 3hy1 h LYS 349 Ca 0.00 -0.43 0.01 0.00 -1.06 0.00 0.00 60.65 59.17 3hy1 h LYS 349 Cb 0.72 0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.51 3hy1 h LYS 349 CO 0.00 1.17 -0.14 -0.09 -2.06 0.00 0.00 179.45 178.33 3hy1 h ARG 350 N -0.38 -0.09 -5.03 3.15 2.43 -1.48 -3.02 114.38 109.96 3hy1 h ARG 350 Ca -0.11 0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.39 3hy1 h ARG 350 Cb 1.48 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.87 3hy1 h ARG 350 CO 0.13 -0.06 0.10 1.14 -1.51 0.00 0.00 179.97 179.76 3hy1 s GLN 351 N -3.67 3.14 -0.18 0.20 0.00 -1.14 -4.78 119.66 113.23 3hy1 s GLN 351 Ca -0.04 -0.86 -0.06 0.00 -0.00 0.00 0.00 55.36 54.41 3hy1 s GLN 351 Cb 0.02 -4.10 -0.09 0.00 0.00 0.00 0.00 33.01 28.84 3hy1 s GLN 351 CO 0.16 -1.26 -0.21 0.94 0.00 0.00 0.00 175.29 174.91 3hy1 n GLN 352 N 6.30 0.40 -0.26 9.60 7.27 -1.14 -4.50 117.38 135.04 3hy1 n GLN 352 Ca -0.06 0.15 -0.07 0.00 0.07 0.00 0.00 57.00 57.09 3hy1 n GLN 352 Cb 0.45 -1.20 0.05 0.00 2.41 0.00 0.00 30.24 31.95 3hy1 n GLN 352 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hy1 h ALA 353 N -0.47 0.96 -1.00 1.69 0.00 -1.88 0.12 119.26 118.68 3hy1 h ALA 353 Ca -0.44 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hy1 h ALA 353 Cb 1.46 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3hy1 h ALA 353 CO -0.22 0.65 0.67 1.96 0.00 0.00 0.00 179.25 182.31 3hy1 h GLN 354 N 1.09 1.32 -0.12 0.00 4.20 -1.93 0.17 115.11 119.84 3hy1 h GLN 354 Ca 0.23 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3hy1 h GLN 354 Cb 0.32 -0.30 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3hy1 h GLN 354 CO -0.01 0.87 -0.27 0.28 -0.67 0.00 0.00 178.83 179.04 3hy1 h VAL 355 N 1.36 1.38 -0.40 -0.54 2.07 -1.65 -1.70 116.25 116.77 3hy1 h VAL 355 Ca 0.37 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 3hy1 h VAL 355 Cb -0.15 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3hy1 h VAL 355 CO -0.08 0.46 0.24 -0.33 0.02 0.00 0.00 177.57 177.87 3hy1 h GLU 356 N -0.03 0.54 -0.02 1.57 5.08 -0.45 -0.91 114.58 120.35 3hy1 h GLU 356 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hy1 h GLU 356 Cb 0.87 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3hy1 h GLU 356 CO 0.06 0.38 -0.04 0.37 -1.00 0.00 0.00 179.01 178.79 3hy1 h GLN 357 N 0.55 0.07 -0.28 2.33 5.75 -0.58 -1.26 115.11 121.69 3hy1 h GLN 357 Ca 0.15 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 3hy1 h GLN 357 Cb -0.02 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 3hy1 h GLN 357 CO -0.03 0.58 0.11 0.28 -2.65 0.00 0.00 178.83 177.12 3hy1 h VAL 358 N -0.44 0.95 0.00 2.39 2.07 -1.09 -0.84 116.25 119.29 3hy1 h VAL 358 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hy1 h VAL 358 Cb 0.57 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3hy1 h VAL 358 CO 0.01 0.05 -0.20 -0.07 0.02 0.00 0.00 177.57 177.37 3hy1 h LEU 359 N 0.25 0.00 0.13 2.57 3.38 -1.21 -2.09 115.31 118.34 3hy1 h LEU 359 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hy1 h LEU 359 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hy1 h LEU 359 CO -0.11 0.20 -0.06 0.50 0.09 0.00 0.00 178.44 179.06 3hy1 h LYS 360 N 0.00 -0.17 -0.55 1.13 3.64 -0.51 -2.92 116.57 117.19 3hy1 h LYS 360 Ca -0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3hy1 h LYS 360 Cb 0.47 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 3hy1 h LYS 360 CO 0.03 0.23 -0.05 1.15 -2.27 0.00 0.00 179.45 178.54 3hy1 h THR 361 N -0.94 0.52 -0.14 1.00 2.02 -1.14 -0.28 112.91 113.95 3hy1 h THR 361 Ca -0.02 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.18 3hy1 h THR 361 Cb 0.48 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 3hy1 h THR 361 CO 0.03 0.01 -0.15 -0.33 0.37 0.00 0.00 175.52 175.46 3hy1 h GLU 362 N 0.07 -0.17 -0.55 6.66 4.39 -1.47 -0.34 114.58 123.17 3hy1 h GLU 362 Ca 0.28 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.90 3hy1 h GLU 362 Cb 0.43 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3hy1 h GLU 362 CO -0.50 -0.11 -0.02 1.49 -1.16 0.00 0.00 179.01 178.71 3hy1 h GLU 363 N -0.18 0.96 -0.62 2.33 4.81 -1.28 -1.87 114.58 118.74 3hy1 h GLU 363 Ca 0.10 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3hy1 h GLU 363 Cb 0.32 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3hy1 h GLU 363 CO -0.24 0.96 0.39 1.49 -0.73 0.00 0.00 179.01 180.87 3hy1 h GLU 364 N 0.88 0.83 -0.00 1.92 4.81 -0.44 -0.26 114.58 122.31 3hy1 h GLU 364 Ca 0.16 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3hy1 h GLU 364 Cb 0.54 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hy1 h GLU 364 CO 0.03 0.57 -0.43 1.96 -0.73 0.00 0.00 179.01 180.41 3hy1 h GLN 365 N 0.85 0.30 -0.37 1.92 4.20 -0.81 -3.25 115.11 117.94 3hy1 h GLN 365 Ca 0.22 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 3hy1 h GLN 365 Cb -0.05 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3hy1 h GLN 365 CO -0.04 1.01 -0.00 0.35 -0.67 0.00 0.00 178.83 179.48 3hy1 h PHE 366 N -0.29 0.61 0.00 2.96 3.57 -1.10 -1.33 116.94 121.36 3hy1 h PHE 366 Ca -0.05 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 3hy1 h PHE 366 Cb 1.16 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 3hy1 h PHE 366 CO 0.16 0.59 -0.01 0.00 -2.23 0.00 0.00 178.31 176.82 3hy1 h ALA 367 N 1.45 1.09 0.00 2.41 0.00 -1.12 0.29 119.26 123.39 3hy1 h ALA 367 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hy1 h ALA 367 Cb 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hy1 h ALA 367 CO 0.01 0.01 -0.05 -0.09 0.00 0.00 0.00 179.25 179.14 3hy1 h ARG 368 N 0.00 0.00 0.00 0.00 2.43 -1.27 -3.25 114.38 112.29 3hy1 h ARG 368 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hy1 h ARG 368 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3hy1 h ARG 368 CO 0.00 0.05 -0.01 0.25 -1.51 0.00 0.00 179.97 178.75 3hy1 n THR 369 N -3.28 0.00 0.12 0.20 -2.24 -0.58 -4.91 114.28 103.59 3hy1 n THR 369 Ca -0.01 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 3hy1 n THR 369 Cb 0.22 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 3hy1 n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hy1 h LEU 370 N 0.00 -0.83 -1.22 3.22 5.85 -0.51 0.09 115.31 121.92 3hy1 h LEU 370 Ca 0.00 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3hy1 h LEU 370 Cb 0.00 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3hy1 h LEU 370 CO 0.00 -0.35 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.19 3hy1 h GLU 371 N -0.51 0.25 -0.41 1.25 5.08 -1.85 -0.27 114.58 118.11 3hy1 h GLU 371 Ca -0.02 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3hy1 h GLU 371 Cb 0.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3hy1 h GLU 371 CO -0.09 0.48 -0.22 0.00 -1.00 0.00 0.00 179.01 178.18 3hy1 h ARG 372 N 0.23 0.83 -0.33 2.33 3.08 -1.88 -2.21 114.38 116.42 3hy1 h ARG 372 Ca 0.04 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.64 3hy1 h ARG 372 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3hy1 h ARG 372 CO 0.04 0.97 -0.26 0.78 -1.07 0.00 0.00 179.97 180.42 3hy1 h GLY 373 N 0.95 0.71 1.84 0.04 0.00 -0.16 -1.66 103.07 104.79 3hy1 h GLY 373 Ca 0.10 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 3hy1 h GLY 373 CO 0.06 0.56 -0.25 1.41 0.00 0.00 0.00 176.54 178.32 3hy1 h LEU 374 N 0.57 0.19 -0.10 3.11 3.38 -0.91 -0.19 115.31 121.35 3hy1 h LEU 374 Ca 0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hy1 h LEU 374 Cb 0.75 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hy1 h LEU 374 CO 0.06 0.45 -0.17 0.00 0.09 0.00 0.00 178.44 178.86 3hy1 h ALA 375 N 1.57 0.16 -0.69 1.53 0.00 -1.16 -1.02 119.26 119.64 3hy1 h ALA 375 Ca 0.03 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3hy1 h ALA 375 Cb 0.54 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 3hy1 h ALA 375 CO 0.04 0.08 0.24 1.25 0.00 0.00 0.00 179.25 180.86 3hy1 h LEU 376 N -0.14 0.20 0.01 0.00 7.12 -1.04 -0.98 115.31 120.48 3hy1 h LEU 376 Ca 0.01 0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 3hy1 h LEU 376 Cb 0.74 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 3hy1 h LEU 376 CO 0.04 0.09 -0.00 0.25 -0.13 0.00 0.00 178.44 178.68 3hy1 h LEU 377 N 0.39 -0.01 -1.34 2.25 5.85 -0.95 -2.52 115.31 118.99 3hy1 h LEU 377 Ca 0.37 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3hy1 h LEU 377 Cb 0.54 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3hy1 h LEU 377 CO -0.39 0.19 0.48 0.44 -0.34 0.00 0.00 178.44 178.82 3hy1 h ASP 378 N -0.21 0.74 -0.12 1.25 5.19 -0.75 0.16 116.42 122.69 3hy1 h ASP 378 Ca -0.00 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3hy1 h ASP 378 Cb 0.20 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3hy1 h ASP 378 CO 0.00 0.50 0.06 -0.33 -3.12 0.00 0.00 179.24 176.36 3hy1 h GLU 379 N 0.85 0.16 -0.01 3.56 5.08 -1.09 -2.86 114.58 120.27 3hy1 h GLU 379 Ca 0.29 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3hy1 h GLU 379 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3hy1 h GLU 379 CO -0.09 0.19 -0.41 0.93 -1.00 0.00 0.00 179.01 178.64 3hy1 h GLU 380 N 0.09 0.02 -0.51 2.33 4.39 -0.91 -2.82 114.58 117.17 3hy1 h GLU 380 Ca 0.04 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 3hy1 h GLU 380 Cb 0.07 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3hy1 h GLU 380 CO -0.01 0.42 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.10 3hy1 h LEU 381 N 0.02 0.93 -0.93 1.33 3.38 -0.88 -2.71 115.31 116.44 3hy1 h LEU 381 Ca -0.00 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3hy1 h LEU 381 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hy1 h LEU 381 CO 0.05 1.04 -0.26 0.00 0.09 0.00 0.00 178.44 179.36 3hy1 h ALA 382 N 1.04 1.09 0.00 1.53 0.00 -1.28 -1.91 119.26 119.74 3hy1 h ALA 382 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hy1 h ALA 382 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hy1 h ALA 382 CO 0.04 0.56 0.00 1.63 0.00 0.00 0.00 179.25 181.48 3hy1 n LYS 383 N -4.11 0.18 -2.44 0.00 5.02 -1.09 -4.76 118.16 110.95 3hy1 n LYS 383 Ca -0.00 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 3hy1 n LYS 383 Cb 0.41 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3hy1 n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hy1 s LEU 384 N -4.39 4.37 -0.33 -0.35 2.96 -0.72 -5.02 118.68 115.20 3hy1 s LEU 384 Ca 0.04 1.98 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 3hy1 s LEU 384 Cb 0.09 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.30 3hy1 s LEU 384 CO 0.38 -0.46 0.04 -0.55 -1.32 0.00 0.00 176.35 174.43 3hy1 s SER 385 N 1.08 4.76 0.00 3.68 0.15 -1.26 -5.02 113.70 117.09 3hy1 s SER 385 Ca 0.58 -2.01 0.00 0.00 0.70 0.00 0.00 55.95 55.22 3hy1 s SER 385 Cb -0.29 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3hy1 s SER 385 CO 0.29 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.98 3hy1 n GLY 386 N 4.31 0.75 0.07 9.45 0.00 -1.26 -4.95 105.19 113.56 3hy1 n GLY 386 Ca 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.25 3hy1 n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hy1 n ASP 387 N 2.61 2.24 -4.07 1.61 5.75 -1.26 -5.00 116.55 118.43 3hy1 n ASP 387 Ca 0.00 -2.61 -0.28 0.00 -0.01 0.00 0.00 54.79 51.89 3hy1 n ASP 387 Cb 0.00 -0.25 -0.17 0.00 -1.03 0.00 0.00 41.12 39.68 3hy1 n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hy1 s THR 388 N -2.05 1.47 -0.01 2.12 2.01 -1.26 -0.46 115.64 117.46 3hy1 s THR 388 Ca 0.19 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 3hy1 s THR 388 Cb 0.16 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 3hy1 s THR 388 CO 0.02 0.43 0.95 -0.22 -0.69 0.00 0.00 174.62 175.12 3hy1 s LEU 389 N 0.83 4.36 0.51 4.42 2.96 0.23 -4.86 118.68 127.13 3hy1 s LEU 389 Ca -0.10 1.61 -0.23 0.00 -0.22 0.00 0.00 54.13 55.19 3hy1 s LEU 389 Cb -0.15 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 42.95 3hy1 s LEU 389 CO 0.01 -0.25 1.37 -0.90 -1.32 0.00 0.00 176.35 175.26 3hy1 n ASP 390 N 3.93 2.87 0.22 3.68 5.75 -1.26 -0.11 116.55 131.62 3hy1 n ASP 390 Ca 0.05 1.03 0.05 0.00 -0.01 0.00 0.00 54.79 55.92 3hy1 n ASP 390 Cb 0.51 -1.58 0.49 0.00 -1.03 0.00 0.00 41.12 39.51 3hy1 n ASP 390 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hy1 h GLY 391 N 1.73 0.00 1.07 6.12 0.00 -1.86 -2.81 103.07 107.31 3hy1 h GLY 391 Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 3hy1 h GLY 391 CO 0.58 0.00 0.35 0.83 0.00 0.00 0.00 176.54 178.30 3hy1 h GLU 392 N 0.00 1.19 -0.29 4.80 5.08 -1.90 0.67 114.58 124.13 3hy1 h GLU 392 Ca -0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3hy1 h GLU 392 Cb 0.43 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hy1 h GLU 392 CO 0.03 0.95 0.06 1.15 -1.00 0.00 0.00 179.01 180.20 3hy1 h THR 393 N 1.17 1.22 -0.86 1.13 2.02 -1.88 -1.67 112.91 114.04 3hy1 h THR 393 Ca 0.27 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.72 3hy1 h THR 393 Cb 0.18 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3hy1 h THR 393 CO -0.03 0.24 0.57 0.00 0.37 0.00 0.00 175.52 176.67 3hy1 h ALA 394 N 0.89 1.39 -0.33 6.16 0.00 -1.35 -1.87 119.26 124.16 3hy1 h ALA 394 Ca 0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3hy1 h ALA 394 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hy1 h ALA 394 CO 0.00 0.57 -0.25 0.35 0.00 0.00 0.00 179.25 179.92 3hy1 h PHE 395 N 1.16 0.74 -0.29 0.00 3.57 -0.70 -2.51 116.94 118.91 3hy1 h PHE 395 Ca 0.31 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3hy1 h PHE 395 Cb -0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 3hy1 h PHE 395 CO 0.00 0.84 0.00 -0.09 -2.23 0.00 0.00 178.31 176.83 3hy1 h ARG 396 N 0.57 0.51 -0.52 1.11 9.65 -0.68 0.29 114.38 125.31 3hy1 h ARG 396 Ca 0.08 -0.16 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3hy1 h ARG 396 Cb 0.73 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 3hy1 h ARG 396 CO 0.06 0.66 0.35 -0.07 2.80 0.00 0.00 179.97 183.76 3hy1 h LEU 397 N 0.30 0.47 0.02 3.80 3.38 -1.31 -0.42 115.31 121.56 3hy1 h LEU 397 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hy1 h LEU 397 Cb 0.43 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3hy1 h LEU 397 CO 0.01 0.32 -0.01 0.22 0.09 0.00 0.00 178.44 179.07 3hy1 h TYR 398 N 0.55 -0.03 -0.53 1.13 3.20 -1.05 0.21 116.97 120.45 3hy1 h TYR 398 Ca 0.22 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3hy1 h TYR 398 Cb 0.17 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3hy1 h TYR 398 CO -0.00 0.70 0.14 0.22 -1.64 0.00 0.00 178.16 177.58 3hy1 h ASP 399 N -0.86 0.79 0.00 -2.11 3.58 -0.24 -2.82 116.42 114.76 3hy1 h ASP 399 Ca -0.00 -0.22 -0.44 0.00 0.42 0.00 0.00 57.03 56.78 3hy1 h ASP 399 Cb 0.74 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 3hy1 h ASP 399 CO 0.01 0.80 -2.51 0.41 -2.88 0.00 0.00 179.24 175.07 3hy1 n THR 400 N -4.45 1.52 1.16 2.25 -1.04 -0.19 -4.62 114.28 108.91 3hy1 n THR 400 Ca 0.02 -0.43 0.12 0.00 -2.04 0.00 0.00 64.05 61.72 3hy1 n THR 400 Cb 0.21 -1.77 0.22 0.00 -1.82 0.00 0.00 70.33 67.18 3hy1 n THR 400 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3hy1 n TYR 401 N -4.00 0.00 -1.60 -1.42 4.01 -0.87 -4.95 117.16 108.33 3hy1 n TYR 401 Ca -0.52 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.13 3hy1 n TYR 401 Cb 0.91 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.87 3hy1 n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hy1 n GLY 402 N 1.35 0.68 3.62 2.72 0.00 -0.41 -4.69 105.19 108.46 3hy1 n GLY 402 Ca 0.12 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3hy1 n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hy1 s PHE 403 N -2.38 2.79 0.35 1.61 0.40 0.61 -4.92 117.98 116.44 3hy1 s PHE 403 Ca 0.00 0.88 -0.28 0.00 -0.60 0.00 0.00 56.93 56.93 3hy1 s PHE 403 Cb 0.00 -4.06 -0.11 0.00 0.51 0.00 0.00 43.02 39.37 3hy1 s PHE 403 CO 0.00 -1.40 1.37 -2.14 0.70 0.00 0.00 175.22 173.75 3hy1 s PRO 404 N 4.23 4.27 0.32 0.24 0.02 -1.26 -3.36 135.00 139.46 3hy1 s PRO 404 Ca 0.52 2.34 0.09 0.00 0.02 0.00 0.00 61.00 63.96 3hy1 s PRO 404 Cb -0.13 -3.03 0.90 0.00 0.02 0.00 0.00 34.50 32.26 3hy1 s PRO 404 CO 0.25 -0.31 1.67 -0.24 -0.33 0.00 0.00 177.00 178.05 3hy1 h VAL 405 N 3.01 0.37 0.00 3.83 3.04 -1.95 0.31 116.25 124.86 3hy1 h VAL 405 Ca -0.50 -0.12 -0.06 0.00 -1.01 0.00 0.00 66.70 65.01 3hy1 h VAL 405 Cb 1.23 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3hy1 h VAL 405 CO 0.65 0.06 -0.30 -2.24 -1.01 0.00 0.00 177.57 174.74 3hy1 h ASP 406 N 0.35 0.00 0.05 3.17 -0.00 -1.98 -1.55 116.42 116.46 3hy1 h ASP 406 Ca 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.67 3hy1 h ASP 406 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.68 3hy1 h ASP 406 CO -0.59 0.30 -0.02 0.25 -0.00 0.00 0.00 179.24 179.18 3hy1 h LEU 407 N 0.00 -0.05 -0.67 0.15 6.46 -0.75 -0.26 115.31 120.19 3hy1 h LEU 407 Ca -0.00 -0.40 0.09 0.00 -0.12 0.00 0.00 57.88 57.45 3hy1 h LEU 407 Cb 0.74 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.62 3hy1 h LEU 407 CO 0.04 0.39 0.30 0.74 -0.62 0.00 0.00 178.44 179.29 3hy1 h THR 408 N -0.51 0.82 -0.55 1.05 2.02 -1.33 -0.83 112.91 113.58 3hy1 h THR 408 Ca -0.01 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3hy1 h THR 408 Cb 0.46 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3hy1 h THR 408 CO 0.01 0.10 0.29 0.00 0.37 0.00 0.00 175.52 176.28 3hy1 h ALA 409 N 1.42 1.47 -0.16 6.16 0.00 -1.21 -1.24 119.26 125.70 3hy1 h ALA 409 Ca 0.33 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3hy1 h ALA 409 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3hy1 h ALA 409 CO -0.28 0.44 -0.38 0.22 0.00 0.00 0.00 179.25 179.24 3hy1 h ASP 410 N 0.77 0.37 -0.11 0.00 3.58 0.31 -0.12 116.42 121.21 3hy1 h ASP 410 Ca 0.20 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 3hy1 h ASP 410 Cb 0.05 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3hy1 h ASP 410 CO -0.03 0.72 -0.22 0.58 -2.88 0.00 0.00 179.24 177.42 3hy1 h VAL 411 N 0.30 1.38 -0.21 2.25 2.07 -0.55 -3.24 116.25 118.25 3hy1 h VAL 411 Ca 0.03 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 3hy1 h VAL 411 Cb 0.81 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3hy1 h VAL 411 CO 0.06 0.43 -0.27 0.00 0.02 0.00 0.00 177.57 177.82 3hy1 h ARG 413 N 0.35 0.90 0.00 0.00 2.43 -0.97 -0.12 114.38 116.96 3hy1 h ARG 413 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hy1 h ARG 413 Cb 0.66 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3hy1 h ARG 413 CO 0.05 0.59 0.00 0.39 -1.51 0.00 0.00 179.97 179.49 3hy1 n GLU 414 N -4.60 0.04 -0.14 0.20 1.02 -1.13 -2.03 120.64 114.00 3hy1 n GLU 414 Ca 0.18 0.34 0.09 0.00 -0.02 0.00 0.00 57.16 57.75 3hy1 n GLU 414 Cb 0.38 -1.59 0.15 0.00 -0.02 0.00 0.00 31.44 30.36 3hy1 n GLU 414 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hy1 n ARG 415 N -1.67 1.78 -2.70 3.49 1.74 -0.27 -4.96 116.66 114.07 3hy1 n ARG 415 Ca 0.02 -2.53 -0.19 0.00 -0.77 0.00 0.00 57.85 54.39 3hy1 n ARG 415 Cb 0.15 -1.52 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 3hy1 n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hy1 n ASN 416 N -1.13 -5.46 -4.43 0.55 3.02 -0.86 -5.00 115.26 101.94 3hy1 n ASN 416 Ca 0.16 -0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.21 3hy1 n ASN 416 Cb 0.65 -4.38 -0.13 0.00 -0.61 0.00 0.00 39.78 35.31 3hy1 n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hy1 s ILE 417 N -3.03 3.44 0.47 2.41 -1.09 -0.22 -4.92 121.20 118.27 3hy1 s ILE 417 Ca 0.16 -0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 3hy1 s ILE 417 Cb -0.07 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 3hy1 s ILE 417 CO 0.20 0.51 0.75 -0.54 -1.23 0.00 0.00 174.94 174.63 3hy1 s LYS 418 N 0.33 3.31 -0.08 2.79 1.02 0.39 -3.18 119.74 124.34 3hy1 s LYS 418 Ca -0.08 -0.06 0.04 0.00 0.02 0.00 0.00 55.97 55.89 3hy1 s LYS 418 Cb -0.15 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3hy1 s LYS 418 CO 0.04 -0.26 -0.20 0.14 -0.92 0.00 0.00 175.35 174.16 3hy1 s VAL 419 N -2.69 2.51 -0.72 3.17 -7.23 -1.26 0.78 120.40 114.97 3hy1 s VAL 419 Ca 0.48 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 59.49 3hy1 s VAL 419 Cb -0.10 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 3hy1 s VAL 419 CO 0.42 0.56 1.70 -0.62 -0.31 0.00 0.00 175.10 176.85 3hy1 s ASP 420 N -0.12 5.57 0.33 4.85 2.15 0.84 -4.78 116.67 125.50 3hy1 s ASP 420 Ca -0.03 -0.16 0.15 0.00 0.43 0.00 0.00 52.55 52.93 3hy1 s ASP 420 Cb -0.14 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.49 3hy1 s ASP 420 CO 0.04 -2.23 1.69 -0.33 -0.17 0.00 0.00 175.17 174.17 3hy1 h GLU 421 N 12.75 0.00 -0.71 4.34 5.08 -1.96 -2.54 114.58 131.54 3hy1 h GLU 421 Ca -0.17 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3hy1 h GLU 421 Cb 1.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3hy1 h GLU 421 CO 1.25 0.48 0.19 0.00 -1.00 0.00 0.00 179.01 179.93 3hy1 h ALA 422 N 1.52 0.93 -0.38 3.43 0.00 -1.99 -1.40 119.26 121.37 3hy1 h ALA 422 Ca -0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3hy1 h ALA 422 Cb 0.95 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hy1 h ALA 422 CO 0.06 0.64 -0.19 0.78 0.00 0.00 0.00 179.25 180.54 3hy1 h GLY 423 N 1.06 0.87 0.70 0.00 0.00 -1.88 -0.86 103.07 102.96 3hy1 h GLY 423 Ca 0.23 -0.79 0.05 0.00 0.00 0.00 0.00 47.33 46.82 3hy1 h GLY 423 CO -0.00 0.71 0.26 -2.75 0.00 0.00 0.00 176.54 174.77 3hy1 h PHE 424 N 0.60 0.48 -0.64 5.60 3.04 -1.36 0.11 116.94 124.77 3hy1 h PHE 424 Ca 0.08 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3hy1 h PHE 424 Cb 0.74 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 3hy1 h PHE 424 CO 0.06 0.23 0.40 0.93 -2.02 0.00 0.00 178.31 177.90 3hy1 h GLU 425 N 0.51 0.86 -0.20 1.11 5.08 -1.07 0.10 114.58 120.97 3hy1 h GLU 425 Ca 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3hy1 h GLU 425 Cb 0.15 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hy1 h GLU 425 CO -0.17 0.61 0.09 0.00 -1.00 0.00 0.00 179.01 178.54 3hy1 h ALA 426 N 1.21 0.26 -0.91 3.43 0.00 -0.63 -0.11 119.26 122.50 3hy1 h ALA 426 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hy1 h ALA 426 Cb -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hy1 h ALA 426 CO -0.05 -0.17 0.51 0.00 0.00 0.00 0.00 179.25 179.54 3hy1 h ALA 427 N 0.94 1.18 -0.43 0.00 0.00 -0.60 0.08 119.26 120.44 3hy1 h ALA 427 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hy1 h ALA 427 Cb 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hy1 h ALA 427 CO -0.01 0.67 -0.02 0.52 0.00 0.00 0.00 179.25 180.41 3hy1 h MET 428 N 1.27 0.77 -0.17 0.00 2.07 -0.74 -2.67 114.93 115.45 3hy1 h MET 428 Ca 0.32 -0.26 -0.11 0.00 -2.07 0.00 0.00 59.70 57.59 3hy1 h MET 428 Cb 0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.66 3hy1 h MET 428 CO -0.05 0.85 -0.37 1.49 1.07 0.00 0.00 176.91 179.90 3hy1 h GLU 429 N 0.61 0.37 0.00 1.72 4.57 -0.72 -2.42 114.58 118.70 3hy1 h GLU 429 Ca 0.12 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3hy1 h GLU 429 Cb 0.52 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3hy1 h GLU 429 CO 0.03 0.68 -0.26 0.93 -1.18 0.00 0.00 179.01 179.21 3hy1 h GLU 430 N 0.31 0.00 0.10 1.92 5.08 -0.83 -1.54 114.58 119.62 3hy1 h GLU 430 Ca 0.03 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.13 3hy1 h GLU 430 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3hy1 h GLU 430 CO 0.06 0.26 -1.25 0.37 -1.00 0.00 0.00 179.01 177.46 3hy1 h GLN 431 N 0.00 0.22 -0.19 2.33 4.15 -1.20 -2.44 115.11 117.97 3hy1 h GLN 431 Ca -0.00 -0.38 -0.06 0.00 0.77 0.00 0.00 58.65 58.98 3hy1 h GLN 431 Cb 0.50 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3hy1 h GLN 431 CO 0.03 1.16 -0.16 0.00 -1.93 0.00 0.00 178.83 177.93 3hy1 h ARG 432 N 0.06 0.33 0.01 1.69 3.08 -1.10 0.30 114.38 118.75 3hy1 h ARG 432 Ca -0.13 -0.09 -0.20 0.00 0.07 0.00 0.00 59.98 59.63 3hy1 h ARG 432 Cb 1.95 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.94 3hy1 h ARG 432 CO 0.19 0.49 -0.91 0.00 -1.07 0.00 0.00 179.97 178.66 3hy1 h ARG 433 N 0.30 0.11 -0.35 0.04 3.08 -1.32 -0.67 114.38 115.57 3hy1 h ARG 433 Ca 0.06 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 3hy1 h ARG 433 Cb 0.47 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3hy1 h ARG 433 CO 0.03 0.94 -0.37 0.00 -1.07 0.00 0.00 179.97 179.50 3hy1 h ARG 434 N 0.05 0.82 -0.17 0.04 3.08 -1.08 -0.13 114.38 116.99 3hy1 h ARG 434 Ca -0.03 -0.42 -0.11 0.00 0.07 0.00 0.00 59.98 59.49 3hy1 h ARG 434 Cb 1.57 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.62 3hy1 h ARG 434 CO 0.13 1.06 -0.37 0.00 -1.07 0.00 0.00 179.97 179.72 3hy1 h ALA 435 N 0.89 1.05 -0.11 0.04 0.00 -0.88 -1.09 119.26 119.17 3hy1 h ALA 435 Ca 0.06 -0.40 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 3hy1 h ALA 435 Cb 0.94 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hy1 h ALA 435 CO 0.09 0.59 -0.85 -0.09 0.00 0.00 0.00 179.25 178.98 3hy1 h ARG 436 N 0.31 0.78 0.09 0.00 2.43 -0.99 -2.41 114.38 114.59 3hy1 h ARG 436 Ca 0.03 -0.69 -0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3hy1 h ARG 436 Cb 0.80 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3hy1 h ARG 436 CO 0.06 1.28 -0.05 1.49 -1.51 0.00 0.00 179.97 181.25 3hy1 h GLU 437 N 0.51 -0.12 -0.65 0.20 4.81 -0.93 -2.98 114.58 115.41 3hy1 h GLU 437 Ca -0.07 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3hy1 h GLU 437 Cb 1.49 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.87 3hy1 h GLU 437 CO 0.17 0.19 0.40 0.00 -0.73 0.00 0.00 179.01 179.04 3hy1 h ALA 438 N 0.42 1.47 -0.31 2.92 0.00 -1.29 -2.12 119.26 120.35 3hy1 h ALA 438 Ca -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hy1 h ALA 438 Cb 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3hy1 h ALA 438 CO 0.02 0.46 0.09 0.45 0.00 0.00 0.00 179.25 180.27 3hy1 n SER 439 N -4.41 3.17 0.00 0.00 2.88 -0.91 -5.10 113.62 109.26 3hy1 n SER 439 Ca 0.07 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 3hy1 n SER 439 Cb 0.07 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 3hy1 n SER 439 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42