#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hu1 h SER 13 N 0.00 0.66 0.00 1.45 4.64 -2.05 -3.38 113.55 114.86 3hu1 h SER 13 Ca 0.00 -0.85 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 3hu1 h SER 13 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3hu1 h SER 13 CO 0.00 1.70 0.00 1.07 -0.87 0.00 0.00 176.83 178.73 3hu1 n THR 14 N -3.61 0.00 -0.15 2.95 5.66 -1.26 -4.05 114.28 113.82 3hu1 n THR 14 Ca -0.20 0.00 0.25 0.00 -3.05 0.00 0.00 64.05 61.04 3hu1 n THR 14 Cb 1.08 -0.98 0.67 0.00 -1.55 0.00 0.00 70.33 69.56 3hu1 n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hu1 h ALA 15 N 1.76 2.64 0.00 1.79 0.00 -2.00 -1.49 119.26 121.97 3hu1 h ALA 15 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hu1 h ALA 15 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3hu1 h ALA 15 CO 0.00 -0.88 -0.34 0.97 0.00 0.00 0.00 179.25 179.01 3hu1 h ILE 16 N 0.08 1.23 0.00 0.00 2.10 -1.95 -3.03 117.51 115.95 3hu1 h ILE 16 Ca 0.39 -1.17 -0.11 0.00 1.08 0.00 0.00 64.86 65.06 3hu1 h ILE 16 Cb 1.44 1.63 -0.02 0.00 -1.09 0.00 0.00 36.82 38.78 3hu1 h ILE 16 CO -0.04 0.33 -0.50 -0.07 -1.08 0.00 0.00 178.15 176.79 3hu1 h LEU 17 N 0.00 0.00 -9.76 2.19 3.38 -1.61 -3.46 115.31 106.05 3hu1 h LEU 17 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 3hu1 h LEU 17 Cb 0.60 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.46 3hu1 h LEU 17 CO 0.04 0.50 0.62 1.17 0.09 0.00 0.00 178.44 180.86 3hu1 n LYS 18 N -3.40 2.28 -0.05 1.13 4.81 -1.15 -4.96 118.16 116.82 3hu1 n LYS 18 Ca 0.01 0.80 -0.14 0.00 -0.87 0.00 0.00 58.31 58.11 3hu1 n LYS 18 Cb 0.65 -2.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.23 3hu1 n LYS 18 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3hu1 h GLN 19 N 3.17 0.79 -2.89 1.64 7.50 -1.90 -3.51 115.11 119.92 3hu1 h GLN 19 Ca -0.47 -0.52 0.00 0.00 0.50 0.00 0.00 58.65 58.16 3hu1 h GLN 19 Cb 1.27 0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.87 3hu1 h GLN 19 CO 0.67 1.15 -0.66 1.63 -1.50 0.00 0.00 178.83 180.12 3hu1 n LYS 20 N -3.98 -3.64 -2.72 1.46 4.01 -1.26 -4.94 118.16 107.09 3hu1 n LYS 20 Ca -0.04 2.64 -0.41 0.00 -0.51 0.00 0.00 58.31 59.98 3hu1 n LYS 20 Cb 0.64 -2.88 -0.04 0.00 -0.51 0.00 0.00 35.03 32.24 3hu1 n LYS 20 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3hu1 s ASN 21 N -1.55 7.49 0.07 4.39 0.01 -1.26 -5.02 114.94 119.08 3hu1 s ASN 21 Ca 0.00 1.81 0.03 0.00 -0.71 0.00 0.00 52.86 53.99 3hu1 s ASN 21 Cb 0.00 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 3hu1 s ASN 21 CO 0.00 -0.06 -0.09 -0.13 -1.51 0.00 0.00 177.10 175.31 3hu1 s ARG 22 N -0.06 0.69 0.31 -0.60 1.81 -1.26 -5.04 118.95 114.79 3hu1 s ARG 22 Ca 0.47 -1.00 0.06 0.00 -1.72 0.00 0.00 55.73 53.54 3hu1 s ARG 22 Cb -0.24 -0.37 0.84 0.00 -0.45 0.00 0.00 34.95 34.74 3hu1 s ARG 22 CO 0.30 0.05 1.65 -1.00 -0.68 0.00 0.00 175.30 175.63 3hu1 h PRO 23 N 3.91 0.25 -0.04 3.54 0.13 -2.00 -2.64 132.00 135.15 3hu1 h PRO 23 Ca -0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3hu1 h PRO 23 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hu1 h PRO 23 CO 0.49 0.17 0.00 0.27 -0.23 0.00 0.00 178.00 178.70 3hu1 n ASN 24 N -5.16 2.24 -4.50 1.44 6.94 -1.26 -4.82 115.26 110.15 3hu1 n ASN 24 Ca 0.25 -1.75 -0.43 0.00 -0.02 0.00 0.00 54.58 52.63 3hu1 n ASN 24 Cb 0.79 -0.01 -0.06 0.00 -2.36 0.00 0.00 39.78 38.13 3hu1 n ASN 24 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3hu1 s ARG 25 N -1.97 3.25 0.10 -3.83 3.52 -1.00 -2.02 118.95 117.00 3hu1 s ARG 25 Ca 0.33 -0.48 0.08 0.00 -0.13 0.00 0.00 55.73 55.53 3hu1 s ARG 25 Cb 0.20 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 3hu1 s ARG 25 CO 0.32 -1.12 -0.20 -0.51 -0.81 0.00 0.00 175.30 172.97 3hu1 s LEU 26 N 2.92 2.31 0.10 -0.88 1.43 -0.53 -4.67 118.68 119.37 3hu1 s LEU 26 Ca 0.22 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 3hu1 s LEU 26 Cb -0.15 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 3hu1 s LEU 26 CO 0.17 0.03 0.81 -0.63 0.23 0.00 0.00 176.35 176.96 3hu1 s ILE 27 N -1.28 4.54 -0.26 -0.59 1.01 -1.00 -1.10 121.20 122.53 3hu1 s ILE 27 Ca 0.06 1.75 -0.27 0.00 0.00 0.00 0.00 60.65 62.19 3hu1 s ILE 27 Cb -0.09 -4.17 0.01 0.00 0.01 0.00 0.00 42.46 38.21 3hu1 s ILE 27 CO 0.04 0.41 0.97 0.68 0.00 0.00 0.00 174.94 177.05 3hu1 s VAL 28 N -0.45 4.70 0.26 2.92 -7.23 -0.70 -0.30 120.40 119.60 3hu1 s VAL 28 Ca 0.39 1.79 0.09 0.00 -1.81 0.00 0.00 61.98 62.44 3hu1 s VAL 28 Cb -0.22 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.41 3hu1 s VAL 28 CO 0.26 -0.21 0.01 -0.62 -0.31 0.00 0.00 175.10 174.23 3hu1 s ASP 29 N 1.35 4.62 0.38 4.85 3.68 0.23 -1.75 116.67 130.03 3hu1 s ASP 29 Ca 0.41 -0.61 -0.27 0.00 2.13 0.00 0.00 52.55 54.20 3hu1 s ASP 29 Cb -0.14 -0.89 -0.10 0.00 -1.45 0.00 0.00 42.92 40.34 3hu1 s ASP 29 CO 0.08 -0.00 1.35 -0.70 0.13 0.00 0.00 175.17 176.04 3hu1 s GLU 30 N -3.68 4.12 0.34 4.34 2.56 -1.26 -2.40 118.70 122.72 3hu1 s GLU 30 Ca 0.31 2.29 -0.25 0.00 0.00 0.00 0.00 54.97 57.32 3hu1 s GLU 30 Cb -0.07 -2.91 -0.10 0.00 2.00 0.00 0.00 34.13 33.05 3hu1 s GLU 30 CO 0.20 -0.41 0.95 0.00 -0.56 0.00 0.00 175.26 175.44 3hu1 s ALA 31 N -1.18 3.18 -0.10 6.30 0.00 -1.20 -4.49 121.76 124.27 3hu1 s ALA 31 Ca 0.53 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.97 3hu1 s ALA 31 Cb -0.41 -3.18 -0.26 0.00 0.00 0.00 0.00 23.12 19.27 3hu1 s ALA 31 CO 0.54 0.16 0.43 0.44 0.00 0.00 0.00 175.76 177.34 3hu1 n ILE 32 N 0.36 1.76 -2.87 0.00 -5.35 -1.26 -4.81 119.36 107.19 3hu1 n ILE 32 Ca 0.03 -0.69 -0.43 0.00 -0.27 0.00 0.00 62.75 61.39 3hu1 n ILE 32 Cb 0.51 -1.61 -0.05 0.00 -1.74 0.00 0.00 39.64 36.75 3hu1 n ILE 32 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3hu1 s ASN 33 N -6.87 6.48 -0.14 7.28 3.84 -1.26 -4.95 114.94 119.32 3hu1 s ASN 33 Ca -0.19 0.08 0.07 0.00 0.21 0.00 0.00 52.86 53.03 3hu1 s ASN 33 Cb 0.07 -2.43 0.44 0.00 -0.55 0.00 0.00 41.25 38.78 3hu1 s ASN 33 CO 0.78 -0.98 1.20 -0.62 -2.79 0.00 0.00 177.10 174.69 3hu1 n GLU 34 N 6.96 3.00 -2.66 0.43 1.02 -1.26 -4.65 120.64 123.48 3hu1 n GLU 34 Ca 0.05 -1.70 -0.38 0.00 -0.02 0.00 0.00 57.16 55.11 3hu1 n GLU 34 Cb 0.48 -1.90 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 3hu1 n GLU 34 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hu1 s ASP 35 N -0.40 7.18 0.56 1.62 2.15 -1.26 -4.95 116.67 121.57 3hu1 s ASP 35 Ca 0.30 1.97 0.33 0.00 0.43 0.00 0.00 52.55 55.58 3hu1 s ASP 35 Cb 0.23 -2.59 1.59 0.00 -0.30 0.00 0.00 42.92 41.84 3hu1 s ASP 35 CO 0.08 -0.18 2.08 0.78 -0.17 0.00 0.00 175.17 177.76 3hu1 h ASN 36 N 3.16 0.00 -0.01 -0.34 2.35 -1.94 -3.07 115.58 115.72 3hu1 h ASN 36 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3hu1 h ASN 36 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3hu1 h ASN 36 CO 0.65 0.06 -0.03 -1.20 -1.65 0.00 0.00 177.43 175.26 3hu1 n SER 37 N -3.31 2.22 -4.40 5.81 7.64 -1.26 -4.73 113.62 115.58 3hu1 n SER 37 Ca -0.01 -1.71 -0.32 0.00 1.01 0.00 0.00 58.87 57.83 3hu1 n SER 37 Cb 0.24 0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 3hu1 n SER 37 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hu1 s VAL 38 N -2.04 2.81 0.01 0.44 0.11 -1.16 -0.10 120.40 120.46 3hu1 s VAL 38 Ca 0.32 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.63 3hu1 s VAL 38 Cb 0.20 -2.10 -0.02 0.00 -1.53 0.00 0.00 36.38 32.93 3hu1 s VAL 38 CO 0.34 0.57 -0.17 0.68 -3.33 0.00 0.00 175.10 173.18 3hu1 s VAL 39 N -0.35 1.37 -0.07 2.04 -7.23 -0.76 -4.65 120.40 110.74 3hu1 s VAL 39 Ca 0.03 -0.86 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 3hu1 s VAL 39 Cb -0.12 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 3hu1 s VAL 39 CO 0.02 0.29 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.58 3hu1 s SER 40 N -0.65 4.50 0.06 4.85 0.01 -0.58 -1.43 113.70 120.46 3hu1 s SER 40 Ca 0.06 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.26 3hu1 s SER 40 Cb -0.07 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.96 3hu1 s SER 40 CO 0.00 0.34 -0.07 -0.76 0.41 0.00 0.00 173.24 173.16 3hu1 s LEU 41 N -0.66 2.35 0.54 2.44 1.43 -0.87 -1.24 118.68 122.68 3hu1 s LEU 41 Ca 0.10 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 3hu1 s LEU 41 Cb -0.11 -0.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 3hu1 s LEU 41 CO 0.02 -0.30 1.18 -0.94 0.23 0.00 0.00 176.35 176.53 3hu1 s SER 42 N -2.10 5.62 0.21 2.29 1.04 -1.25 -0.86 113.70 118.65 3hu1 s SER 42 Ca -0.02 2.31 -0.10 0.00 0.48 0.00 0.00 55.95 58.62 3hu1 s SER 42 Cb -0.04 -2.59 0.20 0.00 0.10 0.00 0.00 66.02 63.69 3hu1 s SER 42 CO -0.02 -1.30 1.84 -0.61 0.98 0.00 0.00 173.24 174.13 3hu1 h GLN 43 N 1.29 0.80 -0.26 4.02 5.75 -1.90 -2.59 115.11 122.22 3hu1 h GLN 43 Ca -0.50 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 57.97 3hu1 h GLN 43 Cb 1.27 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3hu1 h GLN 43 CO 0.57 0.53 0.18 -1.35 -2.65 0.00 0.00 178.83 176.10 3hu1 h PRO 44 N 0.82 0.28 -0.15 -2.39 0.11 -1.96 -2.71 132.00 126.00 3hu1 h PRO 44 Ca 0.29 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.21 3hu1 h PRO 44 Cb 0.06 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3hu1 h PRO 44 CO -0.13 0.19 -0.62 -0.22 -0.21 0.00 0.00 178.00 177.01 3hu1 h LYS 45 N 0.29 0.53 -0.59 1.05 1.63 -1.76 -2.42 116.57 115.29 3hu1 h LYS 45 Ca 0.10 -0.37 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 3hu1 h LYS 45 Cb 0.07 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3hu1 h LYS 45 CO -0.02 0.99 0.07 0.52 -3.45 0.00 0.00 179.45 177.56 3hu1 h MET 46 N 0.39 0.98 -0.04 1.90 2.86 -1.17 -2.57 114.93 117.27 3hu1 h MET 46 Ca -0.01 -0.26 -0.14 0.00 -2.06 0.00 0.00 59.70 57.24 3hu1 h MET 46 Cb 1.18 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3hu1 h MET 46 CO 0.11 0.92 -0.60 -0.44 1.06 0.00 0.00 176.91 177.96 3hu1 h ASP 47 N 0.91 0.17 0.31 1.22 3.45 -1.48 0.29 116.42 121.30 3hu1 h ASP 47 Ca 0.18 -0.10 -0.12 0.00 0.43 0.00 0.00 57.03 57.43 3hu1 h ASP 47 Cb 0.43 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 3hu1 h ASP 47 CO 0.01 0.73 -0.47 -0.08 -1.57 0.00 0.00 179.24 177.86 3hu1 h GLU 48 N 0.11 0.19 -0.47 3.56 4.81 -1.24 -3.15 114.58 118.39 3hu1 h GLU 48 Ca -0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3hu1 h GLU 48 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3hu1 h GLU 48 CO 0.09 0.63 0.00 1.28 -0.73 0.00 0.00 179.01 180.28 3hu1 n LEU 49 N -3.98 3.56 -3.82 1.64 4.77 -0.98 -4.97 117.00 113.22 3hu1 n LEU 49 Ca -0.02 -1.60 -0.30 0.00 -0.03 0.00 0.00 56.01 54.07 3hu1 n LEU 49 Cb 0.52 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3hu1 n LEU 49 CO 0.42 0.80 -0.15 0.00 -1.33 0.00 0.00 177.39 177.13 3hu1 n GLN 50 N 1.53 -2.17 -3.88 3.23 6.02 -1.01 -4.94 117.38 116.16 3hu1 n GLN 50 Ca 0.21 0.42 -0.36 0.00 -0.01 0.00 0.00 57.00 57.26 3hu1 n GLN 50 Cb 0.61 -4.23 -0.13 0.00 1.02 0.00 0.00 30.24 27.51 3hu1 n GLN 50 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hu1 s LEU 51 N -6.75 3.83 0.71 1.08 1.43 0.10 -5.04 118.68 114.04 3hu1 s LEU 51 Ca 0.26 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 3hu1 s LEU 51 Cb -0.10 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3hu1 s LEU 51 CO 0.88 -0.24 1.07 -0.36 0.23 0.00 0.00 176.35 177.92 3hu1 s PHE 52 N 1.31 3.12 0.27 0.29 2.99 -1.26 -4.49 117.98 120.21 3hu1 s PHE 52 Ca -0.03 1.34 -0.30 0.00 0.00 0.00 0.00 56.93 57.95 3hu1 s PHE 52 Cb -0.19 -2.92 -0.10 0.00 0.00 0.00 0.00 43.02 39.81 3hu1 s PHE 52 CO -0.01 -1.28 1.41 0.50 -0.00 0.00 0.00 175.22 175.84 3hu1 s ARG 53 N -5.09 4.28 -0.61 0.44 3.52 -1.26 -3.12 118.95 117.11 3hu1 s ARG 53 Ca 0.58 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 58.47 3hu1 s ARG 53 Cb -0.14 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 3hu1 s ARG 53 CO 0.55 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 3hu1 n GLY 54 N 1.89 0.82 3.76 8.12 0.00 0.11 -5.01 105.19 114.87 3hu1 n GLY 54 Ca 0.05 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 3hu1 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu1 s ASP 55 N -2.89 7.58 0.04 1.61 1.01 -1.18 -4.73 116.67 118.11 3hu1 s ASP 55 Ca 0.00 1.88 -0.30 0.00 0.71 0.00 0.00 52.55 54.83 3hu1 s ASP 55 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.29 3hu1 s ASP 55 CO 0.00 0.17 1.32 0.42 0.21 0.00 0.00 175.17 177.28 3hu1 s THR 56 N -1.18 3.78 0.13 -1.27 -4.23 -1.26 -1.22 115.64 110.38 3hu1 s THR 56 Ca 0.40 1.22 0.09 0.00 -1.18 0.00 0.00 61.69 62.22 3hu1 s THR 56 Cb -0.25 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.77 3hu1 s THR 56 CO 0.31 0.05 -0.23 0.68 -0.54 0.00 0.00 174.62 174.89 3hu1 s VAL 57 N 1.71 1.93 -0.23 2.29 -7.23 0.11 -2.15 120.40 116.84 3hu1 s VAL 57 Ca 0.62 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 59.02 3hu1 s VAL 57 Cb -0.31 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3hu1 s VAL 57 CO 0.27 -0.06 0.06 -0.22 -0.31 0.00 0.00 175.10 174.84 3hu1 s LEU 58 N -2.12 3.49 -0.10 1.32 2.96 0.01 -1.62 118.68 122.62 3hu1 s LEU 58 Ca 0.11 -0.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.85 3hu1 s LEU 58 Cb -0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3hu1 s LEU 58 CO 0.06 0.02 0.02 -0.76 -1.32 0.00 0.00 176.35 174.37 3hu1 s LEU 59 N 1.26 3.66 -0.15 -0.68 1.43 -0.60 -0.53 118.68 123.06 3hu1 s LEU 59 Ca 0.05 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3hu1 s LEU 59 Cb -0.15 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 3hu1 s LEU 59 CO 0.03 0.36 -0.15 -0.54 0.23 0.00 0.00 176.35 176.28 3hu1 s LYS 60 N -0.77 3.22 0.00 1.70 1.02 -1.02 -2.17 119.74 121.71 3hu1 s LYS 60 Ca 0.12 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.36 3hu1 s LYS 60 Cb -0.12 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 3hu1 s LYS 60 CO 0.02 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 3hu1 n GLY 61 N 4.06 2.98 3.92 -3.33 0.00 0.64 -2.46 105.19 110.99 3hu1 n GLY 61 Ca -0.19 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 3hu1 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hu1 s LYS 62 N 3.97 3.35 -1.52 1.61 1.02 -0.79 -4.50 119.74 122.88 3hu1 s LYS 62 Ca 0.00 -0.02 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 3hu1 s LYS 62 Cb 0.00 -2.43 0.07 0.00 -0.52 0.00 0.00 37.83 34.96 3hu1 s LYS 62 CO 0.00 -0.25 0.76 1.63 -0.92 0.00 0.00 175.35 176.57 3hu1 n LYS 63 N -2.22 -4.32 -1.27 1.68 5.02 -1.26 -1.54 118.16 114.25 3hu1 n LYS 63 Ca 0.01 0.50 -0.09 0.00 -2.02 0.00 0.00 58.31 56.70 3hu1 n LYS 63 Cb 0.56 -5.12 -0.04 0.00 -0.02 0.00 0.00 35.03 30.41 3hu1 n LYS 63 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3hu1 n ARG 64 N -4.48 -1.25 -3.01 1.97 3.00 -1.25 -4.74 116.66 106.89 3hu1 n ARG 64 Ca -0.08 0.77 -0.34 0.00 -0.00 0.00 0.00 57.85 58.20 3hu1 n ARG 64 Cb 0.58 -4.92 -0.06 0.00 0.00 0.00 0.00 32.46 28.05 3hu1 n ARG 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hu1 s ARG 65 N -2.57 4.21 0.05 -0.14 1.81 -0.59 -4.93 118.95 116.80 3hu1 s ARG 65 Ca 0.00 0.92 0.00 0.00 -1.72 0.00 0.00 55.73 54.93 3hu1 s ARG 65 Cb 0.00 -2.58 -0.03 0.00 -0.45 0.00 0.00 34.95 31.88 3hu1 s ARG 65 CO 0.00 0.22 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.58 3hu1 s GLU 66 N -2.55 0.58 -0.01 3.54 2.02 -1.26 -0.26 118.70 120.76 3hu1 s GLU 66 Ca 0.51 -1.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.44 3hu1 s GLU 66 Cb -0.13 0.02 -0.00 0.00 0.10 0.00 0.00 34.13 34.11 3hu1 s GLU 66 CO 0.19 -0.05 0.05 0.00 0.02 0.00 0.00 175.26 175.46 3hu1 s ALA 67 N -2.92 -0.10 -0.24 5.21 0.00 -0.92 -4.64 121.76 118.15 3hu1 s ALA 67 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 3hu1 s ALA 67 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 3hu1 s ALA 67 CO -0.05 -0.10 0.07 0.14 0.00 0.00 0.00 175.76 175.82 3hu1 s VAL 68 N -0.65 4.36 0.34 0.00 -7.23 -1.26 -1.55 120.40 114.41 3hu1 s VAL 68 Ca -0.07 -0.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.99 3hu1 s VAL 68 Cb -0.04 -3.03 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 3hu1 s VAL 68 CO 0.00 0.36 0.04 0.00 -0.31 0.00 0.00 175.10 175.18 3hu1 s ILE 70 N -3.13 3.87 -0.09 0.00 2.07 0.85 0.09 121.20 124.86 3hu1 s ILE 70 Ca 0.36 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 59.08 3hu1 s ILE 70 Cb 0.09 -2.70 -0.05 0.00 0.13 0.00 0.00 42.46 39.93 3hu1 s ILE 70 CO 0.16 0.49 0.37 0.54 -1.91 0.00 0.00 174.94 174.59 3hu1 s VAL 71 N 0.40 5.19 0.12 4.00 0.11 -0.36 -1.82 120.40 128.04 3hu1 s VAL 71 Ca -0.04 0.73 0.05 0.00 -2.93 0.00 0.00 61.98 59.79 3hu1 s VAL 71 Cb -0.14 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 3hu1 s VAL 71 CO 0.03 0.46 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.37 3hu1 s LEU 72 N -0.19 2.40 0.08 2.54 1.43 -0.51 0.08 118.68 124.51 3hu1 s LEU 72 Ca 0.21 -0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 3hu1 s LEU 72 Cb -0.15 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.51 3hu1 s LEU 72 CO 0.09 -0.17 0.82 -0.94 0.23 0.00 0.00 176.35 176.38 3hu1 s SER 73 N -2.44 7.32 -0.00 2.29 1.04 -1.26 -2.05 113.70 118.60 3hu1 s SER 73 Ca 0.08 1.57 0.02 0.00 0.48 0.00 0.00 55.95 58.10 3hu1 s SER 73 Cb -0.05 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 3hu1 s SER 73 CO 0.02 0.03 -0.08 -0.62 0.98 0.00 0.00 173.24 173.57 3hu1 s ASP 74 N -0.22 0.92 -0.18 7.02 2.15 -0.04 -4.87 116.67 121.44 3hu1 s ASP 74 Ca 0.40 -0.18 0.12 0.00 0.43 0.00 0.00 52.55 53.32 3hu1 s ASP 74 Cb -0.22 -0.09 -0.23 0.00 -0.30 0.00 0.00 42.92 42.09 3hu1 s ASP 74 CO 0.25 0.07 0.11 0.47 -0.17 0.00 0.00 175.17 175.90 3hu1 n ASP 75 N 2.74 0.75 0.19 -0.34 10.43 -1.26 -3.82 116.55 125.25 3hu1 n ASP 75 Ca -0.14 0.05 0.14 0.00 2.57 0.00 0.00 54.79 57.40 3hu1 n ASP 75 Cb 0.57 0.37 0.57 0.00 1.84 0.00 0.00 41.12 44.47 3hu1 n ASP 75 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hu1 h THR 76 N 0.01 0.00 -3.53 -3.53 1.03 -1.98 -3.44 112.91 101.46 3hu1 h THR 76 Ca -0.51 -0.34 -0.52 0.00 -0.01 0.00 0.00 66.41 65.03 3hu1 h THR 76 Cb 2.12 1.18 -0.02 0.00 -1.07 0.00 0.00 68.15 70.36 3hu1 h THR 76 CO 0.01 0.00 0.38 0.00 -0.01 0.00 0.00 175.52 175.90 3hu1 s SER 78 N 0.15 3.72 0.11 0.00 0.01 -1.26 -4.43 113.70 112.00 3hu1 s SER 78 Ca 0.48 1.86 -0.26 0.00 1.31 0.00 0.00 55.95 59.35 3hu1 s SER 78 Cb -0.24 -2.47 -0.07 0.00 0.21 0.00 0.00 66.02 63.45 3hu1 s SER 78 CO 0.30 -2.54 1.65 0.44 0.41 0.00 0.00 173.24 173.50 3hu1 h ASP 79 N -1.48 -0.65 -0.71 2.44 3.45 -1.97 -3.11 116.42 114.39 3hu1 h ASP 79 Ca -0.45 0.08 -0.38 0.00 0.43 0.00 0.00 57.03 56.71 3hu1 h ASP 79 Cb 1.25 0.26 -0.22 0.00 -0.56 0.00 0.00 39.33 40.06 3hu1 h ASP 79 CO 0.49 -0.31 0.49 -1.84 -1.57 0.00 0.00 179.24 176.50 3hu1 n GLU 80 N -5.35 1.92 -4.31 3.56 -0.00 -1.26 -4.59 120.64 110.61 3hu1 n GLU 80 Ca -0.06 -2.17 -0.23 0.00 -0.00 0.00 0.00 57.16 54.70 3hu1 n GLU 80 Cb 0.26 -1.85 -0.12 0.00 -0.00 0.00 0.00 31.44 29.73 3hu1 n GLU 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3hu1 s LYS 81 N -2.39 1.19 -0.05 3.44 1.02 -1.17 -2.37 119.74 119.40 3hu1 s LYS 81 Ca 0.41 -1.27 0.05 0.00 0.02 0.00 0.00 55.97 55.18 3hu1 s LYS 81 Cb 0.34 -1.37 -0.00 0.00 -0.52 0.00 0.00 37.83 36.28 3hu1 s LYS 81 CO 0.07 0.30 -0.19 -1.50 -0.92 0.00 0.00 175.35 173.11 3hu1 s ILE 82 N -1.54 1.61 -0.18 2.17 2.07 0.59 -4.53 121.20 121.39 3hu1 s ILE 82 Ca 0.10 -0.81 -0.08 0.00 -1.41 0.00 0.00 60.65 58.45 3hu1 s ILE 82 Cb -0.08 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.09 3hu1 s ILE 82 CO 0.05 0.46 0.08 -0.13 -1.91 0.00 0.00 174.94 173.49 3hu1 s ARG 83 N 0.01 3.98 -0.15 3.50 0.52 -0.37 0.77 118.95 127.21 3hu1 s ARG 83 Ca -0.04 -0.30 -0.22 0.00 -0.52 0.00 0.00 55.73 54.65 3hu1 s ARG 83 Cb -0.12 -3.26 0.06 0.00 0.52 0.00 0.00 34.95 32.14 3hu1 s ARG 83 CO 0.03 0.32 0.57 0.00 0.02 0.00 0.00 175.30 176.24 3hu1 s MET 84 N 0.25 0.78 0.69 3.54 0.23 -1.01 -1.53 119.30 122.26 3hu1 s MET 84 Ca 0.05 0.53 -0.12 0.00 -1.03 0.00 0.00 55.69 55.13 3hu1 s MET 84 Cb -0.12 0.37 0.17 0.00 -1.53 0.00 0.00 34.83 33.72 3hu1 s MET 84 CO -0.00 -0.16 0.71 0.27 -2.03 0.00 0.00 175.02 173.81 3hu1 n ASN 85 N 2.09 -1.07 -0.20 -1.18 0.23 -1.26 -3.23 115.26 110.64 3hu1 n ASN 85 Ca -0.16 -1.04 -0.07 0.00 -0.53 0.00 0.00 54.58 52.79 3hu1 n ASN 85 Cb 0.56 -0.61 0.03 0.00 -2.08 0.00 0.00 39.78 37.68 3hu1 n ASN 85 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3hu1 h ARG 86 N 0.00 0.77 -0.42 -3.83 3.08 -1.98 -2.27 114.38 109.74 3hu1 h ARG 86 Ca -0.25 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 59.79 3hu1 h ARG 86 Cb 0.75 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 3hu1 h ARG 86 CO 0.17 0.55 0.11 0.28 -1.07 0.00 0.00 179.97 180.01 3hu1 h VAL 87 N 0.77 0.82 -0.24 2.04 2.07 -1.93 0.54 116.25 120.32 3hu1 h VAL 87 Ca 0.21 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3hu1 h VAL 87 Cb -0.03 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3hu1 h VAL 87 CO -0.04 0.05 -0.02 0.58 0.02 0.00 0.00 177.57 178.16 3hu1 h VAL 88 N 0.26 1.26 -0.60 2.57 2.07 -1.84 -2.08 116.25 117.90 3hu1 h VAL 88 Ca 0.20 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3hu1 h VAL 88 Cb 0.22 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3hu1 h VAL 88 CO -0.24 0.30 0.32 0.03 0.02 0.00 0.00 177.57 178.00 3hu1 h ARG 89 N 0.20 0.58 -0.27 1.57 3.08 -0.70 -0.88 114.38 117.96 3hu1 h ARG 89 Ca 0.07 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.13 3hu1 h ARG 89 Cb 0.44 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 3hu1 h ARG 89 CO 0.02 0.39 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.34 3hu1 h ASN 90 N 0.60 -0.21 0.21 7.04 4.21 0.14 -0.86 115.58 126.72 3hu1 h ASN 90 Ca 0.26 0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.80 3hu1 h ASN 90 Cb 0.16 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 3hu1 h ASN 90 CO -0.17 -0.07 -0.22 0.78 -1.29 0.00 0.00 177.43 176.46 3hu1 h ASN 91 N 0.02 0.01 0.04 5.81 -0.26 -0.61 -0.92 115.58 119.67 3hu1 h ASN 91 Ca 0.13 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3hu1 h ASN 91 Cb 0.19 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3hu1 h ASN 91 CO -0.26 0.22 -0.06 0.18 -1.06 0.00 0.00 177.43 176.45 3hu1 n LEU 92 N -4.28 1.54 -3.92 1.61 4.77 -0.42 -4.25 117.00 112.05 3hu1 n LEU 92 Ca -0.02 -0.50 -0.26 0.00 -0.03 0.00 0.00 56.01 55.20 3hu1 n LEU 92 Cb 0.28 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 3hu1 n LEU 92 CO 0.37 0.26 -0.16 0.54 -1.33 0.00 0.00 177.39 177.07 3hu1 n ARG 93 N 0.10 -3.75 -4.25 3.23 5.12 -0.35 -1.89 116.66 114.87 3hu1 n ARG 93 Ca 0.17 0.46 -0.20 0.00 -1.93 0.00 0.00 57.85 56.34 3hu1 n ARG 93 Cb 0.38 -4.77 -0.12 0.00 -1.16 0.00 0.00 32.46 26.79 3hu1 n ARG 93 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3hu1 s VAL 94 N -3.81 1.30 0.37 1.55 -7.23 -0.61 -4.40 120.40 107.56 3hu1 s VAL 94 Ca 0.10 -1.32 0.08 0.00 -1.81 0.00 0.00 61.98 59.03 3hu1 s VAL 94 Cb -0.05 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 3hu1 s VAL 94 CO 0.87 -0.13 0.13 -0.83 -0.31 0.00 0.00 175.10 174.83 3hu1 s GLY 95 N -1.68 2.12 -0.04 2.32 0.00 -1.26 -4.37 107.32 104.41 3hu1 s GLY 95 Ca 0.01 -1.96 -0.35 0.00 0.00 0.00 0.00 44.72 42.41 3hu1 s GLY 95 CO 0.03 -1.85 1.74 1.04 0.00 0.00 0.00 173.10 174.06 3hu1 n LEU 96 N -1.14 3.04 0.00 0.66 4.32 -1.26 -1.85 117.00 120.76 3hu1 n LEU 96 Ca -0.02 1.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.99 3hu1 n LEU 96 Cb 0.63 -1.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.09 3hu1 n LEU 96 CO 0.44 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 3hu1 n GLY 97 N 3.97 2.43 3.78 -0.72 0.00 -0.72 -4.99 105.19 108.94 3hu1 n GLY 97 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3hu1 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu1 s ASP 98 N -1.29 5.95 0.10 1.61 1.01 -0.77 -4.61 116.67 118.67 3hu1 s ASP 98 Ca 0.00 2.05 -0.21 0.00 0.71 0.00 0.00 52.55 55.10 3hu1 s ASP 98 Cb 0.00 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 3hu1 s ASP 98 CO 0.00 -1.06 0.62 0.68 0.21 0.00 0.00 175.17 175.62 3hu1 s VAL 99 N -1.92 4.65 0.12 -1.27 -7.23 -1.26 -1.73 120.40 111.76 3hu1 s VAL 99 Ca 0.70 1.33 0.06 0.00 -1.81 0.00 0.00 61.98 62.26 3hu1 s VAL 99 Cb -0.20 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.74 3hu1 s VAL 99 CO 0.25 0.55 -0.14 0.27 -0.31 0.00 0.00 175.10 175.72 3hu1 s ILE 100 N -1.12 1.30 0.31 -0.62 -5.25 -0.26 -4.89 121.20 110.68 3hu1 s ILE 100 Ca 0.31 -1.70 -0.20 0.00 -0.99 0.00 0.00 60.65 58.06 3hu1 s ILE 100 Cb -0.20 -1.51 -0.09 0.00 2.95 0.00 0.00 42.46 43.60 3hu1 s ILE 100 CO 0.21 -0.42 0.82 -0.44 -1.79 0.00 0.00 174.94 173.31 3hu1 s SER 101 N -2.44 7.01 -0.05 4.36 0.01 -1.03 -1.45 113.70 120.10 3hu1 s SER 101 Ca 0.08 1.52 0.03 0.00 1.31 0.00 0.00 55.95 58.89 3hu1 s SER 101 Cb -0.05 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3hu1 s SER 101 CO 0.03 -0.14 -0.15 -0.51 0.41 0.00 0.00 173.24 172.88 3hu1 s ILE 102 N -1.81 1.29 -0.00 1.44 2.07 -0.86 -2.43 121.20 120.90 3hu1 s ILE 102 Ca 0.52 -0.61 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 3hu1 s ILE 102 Cb -0.14 -1.14 -0.01 0.00 0.13 0.00 0.00 42.46 41.31 3hu1 s ILE 102 CO 0.19 0.38 -0.12 -1.58 -1.91 0.00 0.00 174.94 171.90 3hu1 s GLN 103 N 0.29 0.97 0.56 3.50 0.74 0.31 -4.85 119.66 121.19 3hu1 s GLN 103 Ca -0.08 -0.46 -0.20 0.00 0.05 0.00 0.00 55.36 54.66 3hu1 s GLN 103 Cb -0.13 -0.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.99 3hu1 s GLN 103 CO 0.03 0.26 1.26 -1.25 -0.55 0.00 0.00 175.29 175.04 3hu1 s PRO 104 N -0.36 3.11 -0.41 1.67 0.04 -1.26 -0.81 135.00 136.98 3hu1 s PRO 104 Ca 0.04 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.14 3hu1 s PRO 104 Cb -0.05 -2.11 0.24 0.00 0.04 0.00 0.00 34.50 32.62 3hu1 s PRO 104 CO -0.00 -1.13 0.57 0.00 0.04 0.00 0.00 177.00 176.47 3hu1 n PRO 106 N 1.56 1.61 0.19 0.00 -0.05 -1.26 -4.16 135.00 132.88 3hu1 n PRO 106 Ca 0.20 -0.91 0.06 0.00 -0.05 0.00 0.00 63.50 62.79 3hu1 n PRO 106 Cb 0.54 -1.37 0.35 0.00 -0.05 0.00 0.00 33.50 32.98 3hu1 n PRO 106 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 3hu1 h ASP 107 N 1.82 0.00 -2.06 3.54 3.45 -1.94 -3.47 116.42 117.77 3hu1 h ASP 107 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 3hu1 h ASP 107 Cb 0.40 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.19 3hu1 h ASP 107 CO 0.00 0.36 1.12 0.52 -1.57 0.00 0.00 179.24 179.67 3hu1 n VAL 108 N -3.53 0.60 -1.67 -1.35 0.31 -1.26 -4.98 118.33 106.45 3hu1 n VAL 108 Ca -0.00 -0.11 -0.31 0.00 -0.01 0.00 0.00 64.34 63.91 3hu1 n VAL 108 Cb 0.50 -1.93 0.04 0.00 -0.91 0.00 0.00 33.84 31.54 3hu1 n VAL 108 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hu1 s LYS 109 N 4.18 3.11 0.19 5.55 1.02 -1.26 -4.83 119.74 127.70 3hu1 s LYS 109 Ca 0.93 0.92 -0.30 0.00 0.02 0.00 0.00 55.97 57.54 3hu1 s LYS 109 Cb -0.66 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 34.55 3hu1 s LYS 109 CO 0.51 -0.96 1.14 0.71 -0.92 0.00 0.00 175.35 175.82 3hu1 s TYR 110 N -3.04 3.52 0.35 3.18 1.51 -1.26 -1.57 117.35 120.04 3hu1 s TYR 110 Ca 0.58 1.55 -0.28 0.00 -1.01 0.00 0.00 57.07 57.90 3hu1 s TYR 110 Cb -0.13 -3.34 -0.10 0.00 -0.11 0.00 0.00 41.96 38.28 3hu1 s TYR 110 CO 0.54 -0.83 1.23 0.20 -1.11 0.00 0.00 175.55 175.58 3hu1 s GLY 111 N -0.12 2.98 -0.09 0.71 0.00 0.91 -4.82 107.32 106.90 3hu1 s GLY 111 Ca 0.50 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 46.27 3hu1 s GLY 111 CO 0.36 1.72 -0.14 1.17 0.00 0.00 0.00 173.10 176.22 3hu1 n LYS 112 N 0.64 0.26 -4.18 2.90 3.00 -1.26 -3.74 118.16 115.78 3hu1 n LYS 112 Ca 0.01 0.28 -0.18 0.00 -0.00 0.00 0.00 58.31 58.41 3hu1 n LYS 112 Cb 0.44 -1.15 -0.16 0.00 0.00 0.00 0.00 35.03 34.16 3hu1 n LYS 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hu1 s ARG 113 N -1.83 0.68 0.14 1.64 0.52 -1.26 -1.51 118.95 117.33 3hu1 s ARG 113 Ca -0.11 -0.14 0.10 0.00 -0.52 0.00 0.00 55.73 55.05 3hu1 s ARG 113 Cb 0.02 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.76 3hu1 s ARG 113 CO 0.17 0.00 -0.22 0.96 0.02 0.00 0.00 175.30 176.23 3hu1 s ILE 114 N 0.50 1.99 -0.21 1.52 -4.36 -0.72 -0.80 121.20 119.11 3hu1 s ILE 114 Ca -0.06 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 3hu1 s ILE 114 Cb -0.10 -1.84 0.05 0.00 1.25 0.00 0.00 42.46 41.82 3hu1 s ILE 114 CO -0.00 -0.10 -0.10 -2.28 0.24 0.00 0.00 174.94 172.70 3hu1 s HIS 115 N -1.45 2.56 0.15 1.37 2.46 -1.02 -0.78 115.29 118.59 3hu1 s HIS 115 Ca 0.13 -1.72 0.08 0.00 0.47 0.00 0.00 55.06 54.02 3hu1 s HIS 115 Cb -0.09 -1.69 -0.04 0.00 -0.13 0.00 0.00 32.58 30.63 3hu1 s HIS 115 CO 0.06 -0.77 -0.11 0.14 -2.47 0.00 0.00 174.74 171.59 3hu1 s VAL 116 N 1.35 3.20 -0.01 0.89 -7.23 -0.05 -0.39 120.40 118.16 3hu1 s VAL 116 Ca -0.03 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 3hu1 s VAL 116 Cb -0.17 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 3hu1 s VAL 116 CO -0.08 -0.01 0.05 -0.76 -0.31 0.00 0.00 175.10 173.99 3hu1 s LEU 117 N -2.54 1.86 0.53 1.32 1.43 -0.43 -4.15 118.68 116.70 3hu1 s LEU 117 Ca 0.23 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 3hu1 s LEU 117 Cb -0.10 0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.28 3hu1 s LEU 117 CO 0.14 -0.12 1.02 -2.16 0.23 0.00 0.00 176.35 175.47 3hu1 s PRO 118 N -0.44 3.70 -0.16 1.29 0.04 -1.26 -0.07 135.00 138.10 3hu1 s PRO 118 Ca -0.05 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 3hu1 s PRO 118 Cb -0.03 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3hu1 s PRO 118 CO 0.00 -0.49 0.93 0.42 0.04 0.00 0.00 177.00 177.89 3hu1 s ILE 119 N -2.33 4.81 0.24 0.56 1.09 0.56 -1.12 121.20 125.01 3hu1 s ILE 119 Ca 0.63 1.83 -0.12 0.00 -1.10 0.00 0.00 60.65 61.89 3hu1 s ILE 119 Cb -0.14 -4.22 0.32 0.00 -1.06 0.00 0.00 42.46 37.36 3hu1 s ILE 119 CO 0.28 -0.02 1.58 -2.24 -0.10 0.00 0.00 174.94 174.44 3hu1 h ASP 120 N 7.29 -0.90 0.88 3.58 2.03 -1.07 -2.04 116.42 126.18 3hu1 h ASP 120 Ca -0.28 0.26 -0.02 0.00 -0.73 0.00 0.00 57.03 56.27 3hu1 h ASP 120 Cb 1.12 0.55 -0.00 0.00 -0.83 0.00 0.00 39.33 40.17 3hu1 h ASP 120 CO 0.87 -0.28 -0.07 -2.24 -1.03 0.00 0.00 179.24 176.49 3hu1 h ASP 121 N -0.02 0.00 -0.45 4.15 2.03 -1.94 -2.22 116.42 117.98 3hu1 h ASP 121 Ca 0.38 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.63 3hu1 h ASP 121 Cb 0.61 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.08 3hu1 h ASP 121 CO -0.86 0.07 0.06 0.35 -1.03 0.00 0.00 179.24 177.84 3hu1 n THR 122 N -3.22 2.03 -1.05 1.15 -2.24 -0.77 -4.28 114.28 105.90 3hu1 n THR 122 Ca 0.00 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 3hu1 n THR 122 Cb 0.32 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3hu1 n THR 122 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hu1 n VAL 123 N 0.29 0.00 -2.25 2.28 3.14 -0.83 -4.54 118.33 116.41 3hu1 n VAL 123 Ca 0.23 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.19 3hu1 n VAL 123 Cb 0.98 0.95 -0.03 0.00 -1.06 0.00 0.00 33.84 34.68 3hu1 n VAL 123 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3hu1 s GLU 124 N 0.00 4.31 0.00 1.45 2.02 -1.25 -4.72 118.70 120.52 3hu1 s GLU 124 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 54.97 56.93 3hu1 s GLU 124 Cb 0.00 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.75 3hu1 s GLU 124 CO 0.00 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.19 3hu1 n GLY 125 N 3.55 -1.29 2.10 -1.39 0.00 -1.26 -5.08 105.19 101.82 3hu1 n GLY 125 Ca 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3hu1 n GLY 125 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3hu1 n ILE 126 N 1.01 -5.07 -0.04 -0.61 0.13 -1.26 -5.00 119.36 108.52 3hu1 n ILE 126 Ca 0.00 1.21 -0.14 0.00 -1.10 0.00 0.00 62.75 62.71 3hu1 n ILE 126 Cb 0.00 -3.15 -0.12 0.00 -0.84 0.00 0.00 39.64 35.53 3hu1 n ILE 126 CO 0.00 0.00 0.00 0.74 2.80 0.00 0.00 176.55 180.09 3hu1 h THR 127 N 4.07 1.59 0.00 9.51 2.02 -1.98 -3.48 112.91 124.64 3hu1 h THR 127 Ca 0.00 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.27 3hu1 h THR 127 Cb 0.00 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 3hu1 h THR 127 CO 0.00 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.01 3hu1 n GLY 128 N 1.06 0.28 3.58 2.16 0.00 -1.26 -3.32 105.19 107.69 3hu1 n GLY 128 Ca -0.10 0.46 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 3hu1 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hu1 s ASN 129 N -4.00 -1.04 0.24 1.61 3.84 -1.26 -5.07 114.94 109.27 3hu1 s ASN 129 Ca 0.00 1.48 -0.03 0.00 0.21 0.00 0.00 52.86 54.51 3hu1 s ASN 129 Cb 0.00 2.18 0.28 0.00 -0.55 0.00 0.00 41.25 43.16 3hu1 s ASN 129 CO 0.00 -0.22 1.73 -0.07 -2.79 0.00 0.00 177.10 175.75 3hu1 h LEU 130 N 8.02 0.81 -0.28 3.21 3.38 -1.96 -1.38 115.31 127.12 3hu1 h LEU 130 Ca -0.18 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 3hu1 h LEU 130 Cb 1.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hu1 h LEU 130 CO 0.11 0.88 -0.34 0.15 0.09 0.00 0.00 178.44 179.33 3hu1 h PHE 131 N 0.78 0.87 -0.02 1.13 3.04 -1.96 -2.42 116.94 118.36 3hu1 h PHE 131 Ca 0.15 -0.28 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 3hu1 h PHE 131 Cb 0.48 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 3hu1 h PHE 131 CO 0.03 1.04 -0.02 1.49 -2.02 0.00 0.00 178.31 178.82 3hu1 h GLU 132 N 0.46 0.04 -0.13 1.11 4.57 -1.95 0.20 114.58 118.89 3hu1 h GLU 132 Ca 0.04 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 3hu1 h GLU 132 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 3hu1 h GLU 132 CO 0.08 0.56 -0.42 0.28 -1.18 0.00 0.00 179.01 178.33 3hu1 h VAL 133 N -0.47 1.36 0.00 0.32 2.07 -1.36 -3.40 116.25 114.77 3hu1 h VAL 133 Ca 0.00 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.72 3hu1 h VAL 133 Cb 0.55 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 3hu1 h VAL 133 CO 0.01 0.52 -0.99 -1.22 0.02 0.00 0.00 177.57 175.90 3hu1 n TYR 134 N -4.29 0.00 -0.01 1.57 4.01 -0.93 -4.70 117.16 112.82 3hu1 n TYR 134 Ca -0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.50 3hu1 n TYR 134 Cb 0.55 -0.38 -0.11 0.00 -0.31 0.00 0.00 39.34 39.08 3hu1 n TYR 134 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hu1 h LEU 135 N -0.59 0.40 -0.27 7.72 3.38 -1.32 -3.02 115.31 121.61 3hu1 h LEU 135 Ca -0.12 -0.78 0.05 0.00 0.09 0.00 0.00 57.88 57.12 3hu1 h LEU 135 Cb 0.82 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3hu1 h LEU 135 CO -0.08 1.13 -0.00 0.50 0.09 0.00 0.00 178.44 180.08 3hu1 h LYS 136 N -0.28 0.08 0.00 1.13 3.64 -0.82 -1.94 116.57 118.38 3hu1 h LYS 136 Ca -0.06 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3hu1 h LYS 136 Cb 1.20 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hu1 h LYS 136 CO 0.09 0.05 -0.14 -1.00 -2.27 0.00 0.00 179.45 176.18 3hu1 h PRO 137 N 0.08 0.00 -0.03 1.90 0.13 -1.78 -0.92 132.00 131.38 3hu1 h PRO 137 Ca 0.13 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.13 3hu1 h PRO 137 Cb 0.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.29 3hu1 h PRO 137 CO -0.22 0.14 -0.58 -0.92 -0.23 0.00 0.00 178.00 176.19 3hu1 h TYR 138 N 0.00 0.12 0.00 1.56 3.20 -1.29 -3.38 116.97 117.17 3hu1 h TYR 138 Ca -0.00 -0.04 -0.29 0.00 3.14 0.00 0.00 58.73 61.54 3hu1 h TYR 138 Cb 0.51 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3hu1 h TYR 138 CO 0.00 0.65 -2.08 1.19 -1.64 0.00 0.00 178.16 176.28 3hu1 n PHE 139 N -3.87 0.00 -1.70 -3.82 3.72 -0.78 -4.87 117.46 106.15 3hu1 n PHE 139 Ca -0.02 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.84 3hu1 n PHE 139 Cb 0.59 -0.76 -0.06 0.00 -0.94 0.00 0.00 39.48 38.31 3hu1 n PHE 139 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3hu1 n LEU 140 N -2.71 2.79 -0.00 4.37 7.94 -0.40 -1.64 117.00 127.33 3hu1 n LEU 140 Ca -0.28 1.04 -0.00 0.00 -1.11 0.00 0.00 56.01 55.66 3hu1 n LEU 140 Cb 0.97 -1.23 -0.00 0.00 0.53 0.00 0.00 43.42 43.69 3hu1 n LEU 140 CO 0.29 -0.29 -0.00 -0.62 -1.11 0.00 0.00 177.39 175.66 3hu1 n GLU 141 N 5.85 -2.00 0.07 1.96 -0.58 -1.26 -4.81 120.64 119.87 3hu1 n GLU 141 Ca 0.25 0.50 0.12 0.00 -0.42 0.00 0.00 57.16 57.60 3hu1 n GLU 141 Cb 0.19 -4.98 0.09 0.00 -0.57 0.00 0.00 31.44 26.17 3hu1 n GLU 141 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hu1 n ALA 142 N 0.99 2.89 -4.05 0.62 0.00 -0.65 -4.99 120.51 115.32 3hu1 n ALA 142 Ca -0.00 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.84 3hu1 n ALA 142 Cb 0.50 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3hu1 n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hu1 n TYR 143 N -2.25 -1.52 -2.44 0.00 4.01 -1.23 -4.89 117.16 108.84 3hu1 n TYR 143 Ca 0.02 0.53 -0.42 0.00 -0.16 0.00 0.00 57.90 57.87 3hu1 n TYR 143 Cb 0.47 -3.23 -0.03 0.00 -0.31 0.00 0.00 39.34 36.24 3hu1 n TYR 143 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hu1 s ARG 144 N -6.90 4.47 -0.02 -0.72 0.52 -1.23 -4.65 118.95 110.42 3hu1 s ARG 144 Ca 0.16 1.77 -0.30 0.00 -0.52 0.00 0.00 55.73 56.84 3hu1 s ARG 144 Cb -0.08 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 3hu1 s ARG 144 CO 0.94 -0.16 0.97 -1.25 0.02 0.00 0.00 175.30 175.82 3hu1 s PRO 145 N 0.59 4.53 0.03 3.54 0.05 -1.26 -0.15 135.00 142.33 3hu1 s PRO 145 Ca 0.56 1.39 0.04 0.00 0.05 0.00 0.00 61.00 63.04 3hu1 s PRO 145 Cb -0.30 -3.47 -0.02 0.00 0.05 0.00 0.00 34.50 30.76 3hu1 s PRO 145 CO 0.31 -0.09 -0.12 0.96 0.05 0.00 0.00 177.00 178.11 3hu1 s ILE 146 N 1.19 0.90 -0.00 0.56 -4.36 -0.89 -4.79 121.20 113.80 3hu1 s ILE 146 Ca 0.51 -0.83 0.02 0.00 -0.26 0.00 0.00 60.65 60.09 3hu1 s ILE 146 Cb -0.20 -0.82 -0.03 0.00 1.25 0.00 0.00 42.46 42.65 3hu1 s ILE 146 CO 0.26 -0.00 -0.04 -0.60 0.24 0.00 0.00 174.94 174.79 3hu1 s ARG 147 N -0.95 2.66 0.05 0.37 3.52 -1.26 -2.59 118.95 120.76 3hu1 s ARG 147 Ca 0.00 -0.66 -0.36 0.00 -0.13 0.00 0.00 55.73 54.58 3hu1 s ARG 147 Cb -0.07 -2.58 -0.16 0.00 -1.56 0.00 0.00 34.95 30.59 3hu1 s ARG 147 CO 0.01 0.62 1.47 1.17 -0.81 0.00 0.00 175.30 177.76 3hu1 n LYS 148 N 1.54 1.43 -0.26 5.12 4.81 -0.68 -2.05 118.16 128.08 3hu1 n LYS 148 Ca -0.15 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3hu1 n LYS 148 Cb 0.53 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3hu1 n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hu1 n GLY 149 N 3.03 0.69 3.76 3.14 0.00 0.74 -5.01 105.19 111.53 3hu1 n GLY 149 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hu1 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hu1 s ASP 150 N -2.94 6.81 -0.22 1.61 1.01 -0.87 -4.77 116.67 117.30 3hu1 s ASP 150 Ca 0.00 2.58 -0.04 0.00 0.71 0.00 0.00 52.55 55.80 3hu1 s ASP 150 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 3hu1 s ASP 150 CO 0.00 -0.54 -0.03 -0.63 0.21 0.00 0.00 175.17 174.18 3hu1 s ILE 151 N -0.57 3.54 0.04 0.77 1.09 -1.26 -0.36 121.20 124.45 3hu1 s ILE 151 Ca 0.53 -0.44 0.04 0.00 -1.10 0.00 0.00 60.65 59.69 3hu1 s ILE 151 Cb -0.39 -2.61 -0.02 0.00 -1.06 0.00 0.00 42.46 38.37 3hu1 s ILE 151 CO 0.46 0.41 -0.13 0.72 -0.10 0.00 0.00 174.94 176.31 3hu1 s PHE 152 N 1.43 1.14 -0.16 3.97 -0.71 0.20 -4.83 117.98 119.02 3hu1 s PHE 152 Ca 0.05 -0.37 -0.07 0.00 -1.04 0.00 0.00 56.93 55.49 3hu1 s PHE 152 Cb -0.14 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 3hu1 s PHE 152 CO -0.02 0.03 0.09 -1.17 -1.34 0.00 0.00 175.22 172.81 3hu1 s LEU 153 N -1.23 4.02 -0.07 -1.99 2.96 -1.26 -0.03 118.68 121.08 3hu1 s LEU 153 Ca -0.00 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 3hu1 s LEU 153 Cb -0.08 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3hu1 s LEU 153 CO 0.01 0.25 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.50 3hu1 s VAL 154 N -0.08 1.00 0.26 1.68 1.01 -0.15 -4.98 120.40 119.15 3hu1 s VAL 154 Ca 0.08 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3hu1 s VAL 154 Cb -0.12 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 3hu1 s VAL 154 CO 0.01 0.33 0.76 -0.13 0.00 0.00 0.00 175.10 176.07 3hu1 s ARG 155 N 0.90 4.23 -0.41 2.72 0.52 -1.26 -1.12 118.95 124.53 3hu1 s ARG 155 Ca -0.10 0.88 0.07 0.00 -0.52 0.00 0.00 55.73 56.06 3hu1 s ARG 155 Cb -0.15 -2.74 0.24 0.00 0.52 0.00 0.00 34.95 32.82 3hu1 s ARG 155 CO 0.01 0.31 0.55 0.41 0.02 0.00 0.00 175.30 176.61 3hu1 n GLY 156 N 0.41 2.41 5.74 -3.53 0.00 -0.77 -4.90 105.19 104.54 3hu1 n GLY 156 Ca -0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3hu1 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hu1 n GLY 157 N 1.58 0.41 0.42 -0.02 0.00 -1.26 -4.18 105.19 102.14 3hu1 n GLY 157 Ca 0.20 0.62 -0.11 0.00 0.00 0.00 0.00 46.02 46.73 3hu1 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu1 h MET 158 N 0.00 -0.28 0.00 1.61 -0.00 -2.02 -3.47 114.93 110.78 3hu1 h MET 158 Ca 0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.62 3hu1 h MET 158 Cb 0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 31.64 3hu1 h MET 158 CO 0.00 -0.19 0.05 2.89 -0.00 0.00 0.00 176.91 179.66 3hu1 n ARG 159 N -5.38 0.64 -4.86 -0.10 1.85 -1.26 -5.17 116.66 102.37 3hu1 n ARG 159 Ca -0.01 -1.72 -0.33 0.00 -1.00 0.00 0.00 57.85 54.80 3hu1 n ARG 159 Cb 0.34 1.88 -0.14 0.00 -1.05 0.00 0.00 32.46 33.49 3hu1 n ARG 159 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hu1 s ALA 160 N -2.06 2.57 -0.09 2.89 0.00 -1.26 -1.86 121.76 121.96 3hu1 s ALA 160 Ca 0.15 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3hu1 s ALA 160 Cb -0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 3hu1 s ALA 160 CO 0.11 0.32 -0.19 0.08 0.00 0.00 0.00 175.76 176.08 3hu1 s VAL 161 N 0.10 2.53 -0.03 0.00 1.01 -0.27 -4.94 120.40 118.81 3hu1 s VAL 161 Ca -0.07 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3hu1 s VAL 161 Cb -0.15 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3hu1 s VAL 161 CO 0.05 0.56 0.59 -1.61 0.00 0.00 0.00 175.10 174.69 3hu1 s GLU 162 N 0.05 4.33 0.08 2.72 2.02 -1.26 -0.97 118.70 125.67 3hu1 s GLU 162 Ca -0.08 0.72 0.09 0.00 0.02 0.00 0.00 54.97 55.72 3hu1 s GLU 162 Cb -0.15 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 3hu1 s GLU 162 CO 0.05 0.31 -0.23 -0.06 0.02 0.00 0.00 175.26 175.35 3hu1 s PHE 163 N 0.02 2.02 -0.11 1.61 0.08 0.96 -0.33 117.98 122.24 3hu1 s PHE 163 Ca 0.31 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.94 3hu1 s PHE 163 Cb -0.18 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3hu1 s PHE 163 CO 0.16 0.18 -0.02 0.21 -0.10 0.00 0.00 175.22 175.66 3hu1 s LYS 164 N -1.58 3.21 -0.59 0.44 2.20 0.90 -0.63 119.74 123.69 3hu1 s LYS 164 Ca 0.10 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 54.97 3hu1 s LYS 164 Cb -0.10 -2.82 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 3hu1 s LYS 164 CO 0.03 0.53 1.18 0.08 -0.36 0.00 0.00 175.35 176.82 3hu1 s VAL 165 N -0.42 4.02 -0.03 4.02 1.01 0.51 -1.31 120.40 128.19 3hu1 s VAL 165 Ca 0.07 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 3hu1 s VAL 165 Cb -0.12 -4.73 -0.31 0.00 0.00 0.00 0.00 36.38 31.21 3hu1 s VAL 165 CO 0.02 -1.38 0.74 0.58 0.00 0.00 0.00 175.10 175.06 3hu1 h VAL 166 N 6.13 1.01 -3.81 2.92 2.07 -1.05 0.21 116.25 123.74 3hu1 h VAL 166 Ca -0.25 -2.57 -0.14 0.00 0.82 0.00 0.00 66.70 64.56 3hu1 h VAL 166 Cb 1.06 2.80 -0.18 0.00 -1.52 0.00 0.00 31.29 33.45 3hu1 h VAL 166 CO 1.19 0.85 -0.55 -0.70 0.02 0.00 0.00 177.57 178.37 3hu1 s GLU 167 N -2.59 0.53 -0.05 1.57 2.56 -1.05 -4.73 118.70 114.95 3hu1 s GLU 167 Ca -0.14 -0.70 -0.03 0.00 0.00 0.00 0.00 54.97 54.10 3hu1 s GLU 167 Cb 0.05 0.21 0.02 0.00 2.00 0.00 0.00 34.13 36.41 3hu1 s GLU 167 CO 0.87 -0.13 0.12 0.99 -0.56 0.00 0.00 175.26 176.56 3hu1 s THR 168 N -2.31 -0.03 0.06 -1.70 2.01 -1.26 -2.42 115.64 109.99 3hu1 s THR 168 Ca -0.08 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 3hu1 s THR 168 Cb -0.03 -0.20 -0.27 0.00 0.01 0.00 0.00 72.50 72.02 3hu1 s THR 168 CO -0.03 0.04 1.08 -0.78 -0.69 0.00 0.00 174.62 174.23 3hu1 h ASP 169 N 6.61 0.33 -3.41 3.53 3.58 -1.36 -3.41 116.42 122.29 3hu1 h ASP 169 Ca -0.34 -0.39 -0.53 0.00 0.42 0.00 0.00 57.03 56.20 3hu1 h ASP 169 Cb 1.17 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 3hu1 h ASP 169 CO 0.43 1.31 0.47 -2.84 -2.88 0.00 0.00 179.24 175.73 3hu1 s PRO 170 N -2.65 4.55 0.00 0.28 0.02 -1.26 -4.92 135.00 131.01 3hu1 s PRO 170 Ca -0.04 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.62 3hu1 s PRO 170 Cb 0.07 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3hu1 s PRO 170 CO 0.86 -0.04 0.08 0.43 -0.33 0.00 0.00 177.00 178.00 3hu1 n SER 171 N 3.23 0.00 -0.13 2.53 7.64 -1.26 -3.88 113.62 121.75 3hu1 n SER 171 Ca 0.05 0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 3hu1 n SER 171 Cb 0.48 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 3hu1 n SER 171 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3hu1 n PRO 172 N -0.41 0.65 -4.17 1.43 -0.04 -1.26 -4.67 135.00 126.53 3hu1 n PRO 172 Ca 0.00 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 3hu1 n PRO 172 Cb 0.00 -1.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.84 3hu1 n PRO 172 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3hu1 s TYR 173 N -2.52 0.99 0.19 0.54 -0.85 -1.25 -1.68 117.35 112.78 3hu1 s TYR 173 Ca -0.34 -0.70 -0.16 0.00 -0.52 0.00 0.00 57.07 55.34 3hu1 s TYR 173 Cb 0.09 -0.55 0.02 0.00 0.38 0.00 0.00 41.96 41.90 3hu1 s TYR 173 CO 0.60 -0.04 0.49 0.00 -1.52 0.00 0.00 175.55 175.09 3hu1 s ILE 175 N -3.89 4.98 -0.81 0.00 1.01 -0.61 -2.09 121.20 119.78 3hu1 s ILE 175 Ca 0.11 1.07 -0.20 0.00 0.00 0.00 0.00 60.65 61.63 3hu1 s ILE 175 Cb -0.00 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.72 3hu1 s ILE 175 CO -0.02 0.46 1.05 -0.69 0.00 0.00 0.00 174.94 175.74 3hu1 s VAL 176 N -0.35 4.57 0.59 2.92 1.01 0.79 -0.06 120.40 129.87 3hu1 s VAL 176 Ca 0.28 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3hu1 s VAL 176 Cb -0.17 -4.73 0.03 0.00 0.00 0.00 0.00 36.38 31.50 3hu1 s VAL 176 CO 0.15 -1.47 0.86 0.00 0.00 0.00 0.00 175.10 174.63 3hu1 s ALA 177 N 3.24 3.52 0.45 5.51 0.00 -1.26 -3.50 121.76 129.72 3hu1 s ALA 177 Ca 0.28 -1.01 0.28 0.00 0.00 0.00 0.00 51.96 51.51 3hu1 s ALA 177 Cb -0.10 -2.36 1.35 0.00 0.00 0.00 0.00 23.12 22.00 3hu1 s ALA 177 CO -0.01 -0.85 1.71 -1.35 0.00 0.00 0.00 175.76 175.25 3hu1 h PRO 178 N -0.12 0.17 -0.58 0.00 0.10 -1.96 -2.49 132.00 127.12 3hu1 h PRO 178 Ca -0.44 -0.01 0.04 0.00 0.10 0.00 0.00 66.00 65.69 3hu1 h PRO 178 Cb 1.28 -0.04 -0.03 0.00 0.10 0.00 0.00 31.00 32.31 3hu1 h PRO 178 CO 0.57 0.11 0.38 -0.44 0.10 0.00 0.00 178.00 178.73 3hu1 h ASP 179 N 0.18 0.55 -2.63 -2.05 5.19 -1.94 -3.44 116.42 112.28 3hu1 h ASP 179 Ca 0.69 -0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 56.53 3hu1 h ASP 179 Cb 2.20 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 41.56 3hu1 h ASP 179 CO -0.26 0.37 1.19 -0.89 -3.12 0.00 0.00 179.24 176.52 3hu1 s THR 180 N -5.57 3.54 -0.11 0.35 2.01 -0.94 -4.93 115.64 109.99 3hu1 s THR 180 Ca -0.09 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.22 3hu1 s THR 180 Cb 0.18 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3hu1 s THR 180 CO 0.75 -0.24 1.33 -0.69 -0.69 0.00 0.00 174.62 175.08 3hu1 s VAL 181 N 5.55 4.10 -0.40 3.82 1.01 -0.57 -4.91 120.40 128.99 3hu1 s VAL 181 Ca 0.77 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.99 3hu1 s VAL 181 Cb -0.28 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.25 3hu1 s VAL 181 CO 0.31 -0.08 0.27 -0.63 0.00 0.00 0.00 175.10 174.98 3hu1 s ILE 182 N 3.18 4.96 -0.11 2.22 1.01 -1.26 -1.76 121.20 129.43 3hu1 s ILE 182 Ca 0.59 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 3hu1 s ILE 182 Cb -0.25 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3hu1 s ILE 182 CO 0.20 -0.32 0.24 -1.00 0.00 0.00 0.00 174.94 174.06 3hu1 s HIS 183 N 1.62 3.57 -0.39 3.97 3.76 0.04 -5.01 115.29 122.84 3hu1 s HIS 183 Ca 0.04 0.63 0.12 0.00 -0.15 0.00 0.00 55.06 55.70 3hu1 s HIS 183 Cb -0.20 -2.16 0.37 0.00 1.11 0.00 0.00 32.58 31.69 3hu1 s HIS 183 CO 0.08 0.52 0.79 0.00 -0.85 0.00 0.00 174.74 175.28 3hu1 h GLU 185 N 2.99 -0.06 0.00 0.00 5.08 -1.96 -3.48 114.58 117.15 3hu1 h GLU 185 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hu1 h GLU 185 Cb 0.94 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3hu1 h GLU 185 CO 0.55 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 3hu1 n GLY 186 N 0.79 -3.19 3.79 -3.84 0.00 -1.26 -5.01 105.19 96.47 3hu1 n GLY 186 Ca -0.01 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 3hu1 n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hu1 s GLU 187 N -0.32 3.57 0.23 1.61 2.02 -1.26 -4.99 118.70 119.56 3hu1 s GLU 187 Ca 0.00 1.38 -0.32 0.00 0.02 0.00 0.00 54.97 56.05 3hu1 s GLU 187 Cb 0.00 -2.06 -0.12 0.00 0.10 0.00 0.00 34.13 32.05 3hu1 s GLU 187 CO 0.00 -0.63 1.71 -2.14 0.02 0.00 0.00 175.26 174.22 3hu1 s PRO 188 N -3.46 4.12 0.21 0.39 0.02 -1.26 -4.85 135.00 130.16 3hu1 s PRO 188 Ca 0.68 2.62 -0.32 0.00 0.02 0.00 0.00 61.00 63.99 3hu1 s PRO 188 Cb -0.18 -3.06 -0.12 0.00 0.02 0.00 0.00 34.50 31.16 3hu1 s PRO 188 CO 0.26 -0.74 1.71 0.42 -0.33 0.00 0.00 177.00 178.32 3hu1 s ILE 189 N 0.94 2.06 0.17 2.83 -1.09 -0.28 -4.70 121.20 121.12 3hu1 s ILE 189 Ca 0.73 0.04 -0.30 0.00 -2.23 0.00 0.00 60.65 58.89 3hu1 s ILE 189 Cb -0.50 -3.03 -0.08 0.00 -1.58 0.00 0.00 42.46 37.28 3hu1 s ILE 189 CO 0.35 0.00 1.27 -0.54 -1.23 0.00 0.00 174.94 174.80 3hu1 s LYS 190 N 1.06 4.41 0.19 2.79 1.02 -1.26 -0.50 119.74 127.45 3hu1 s LYS 190 Ca 0.74 1.97 -0.14 0.00 0.02 0.00 0.00 55.97 58.56 3hu1 s LYS 190 Cb -0.49 -3.23 0.19 0.00 -0.52 0.00 0.00 37.83 33.77 3hu1 s LYS 190 CO 0.33 -0.23 1.68 -0.09 -0.92 0.00 0.00 175.35 176.12 3hu1 h ARG 191 N 5.72 0.12 -0.03 1.68 9.65 -1.93 -2.25 114.38 127.34 3hu1 h ARG 191 Ca -0.44 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.44 3hu1 h ARG 191 Cb 1.21 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3hu1 h ARG 191 CO 0.78 0.08 0.02 0.93 2.80 0.00 0.00 179.97 184.58 3hu1 h GLU 192 N 0.12 0.00 -0.31 0.20 5.08 -1.98 -0.89 114.58 116.81 3hu1 h GLU 192 Ca 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3hu1 h GLU 192 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hu1 h GLU 192 CO -0.41 0.00 0.02 -0.44 -1.00 0.00 0.00 179.01 177.18 3hu1 h ASP 193 N 0.00 0.51 1.29 1.42 3.45 -1.80 -1.39 116.42 119.89 3hu1 h ASP 193 Ca 0.01 -0.29 -0.12 0.00 0.43 0.00 0.00 57.03 57.06 3hu1 h ASP 193 Cb 0.06 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 3hu1 h ASP 193 CO -0.00 0.67 -0.59 -0.33 -1.57 0.00 0.00 179.24 177.42 3hu1 h GLU 194 N 0.33 0.00 0.00 3.56 4.39 -1.27 -2.02 114.58 119.57 3hu1 h GLU 194 Ca 0.09 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 3hu1 h GLU 194 Cb 0.39 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3hu1 h GLU 194 CO 0.01 0.59 -0.82 0.93 -1.16 0.00 0.00 179.01 178.56 3hu1 h GLU 195 N 0.00 0.07 0.00 2.33 4.39 -1.23 -1.47 114.58 118.67 3hu1 h GLU 195 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3hu1 h GLU 195 Cb 1.39 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3hu1 h GLU 195 CO 0.08 0.85 0.00 -1.91 -1.16 0.00 0.00 179.01 176.87 3hu1 n GLU 196 N -3.62 0.04 0.02 2.33 2.13 -0.53 -1.06 120.64 119.96 3hu1 n GLU 196 Ca -0.02 0.07 -0.20 0.00 0.66 0.00 0.00 57.16 57.68 3hu1 n GLU 196 Cb 0.78 -1.55 -0.14 0.00 0.27 0.00 0.00 31.44 30.80 3hu1 n GLU 196 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hu1 h SER 197 N 0.00 0.41 -0.68 4.31 0.87 -1.18 -3.29 113.55 113.99 3hu1 h SER 197 Ca 0.00 -0.80 -0.06 0.00 -1.23 0.00 0.00 61.79 59.71 3hu1 h SER 197 Cb 0.50 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3hu1 h SER 197 CO 0.00 1.70 0.22 -0.07 -0.53 0.00 0.00 176.83 178.15 3hu1 h LEU 198 N 0.07 1.01 -1.62 2.23 3.38 -1.21 -3.15 115.31 116.02 3hu1 h LEU 198 Ca -0.37 -0.18 0.31 0.00 0.09 0.00 0.00 57.88 57.73 3hu1 h LEU 198 Cb 2.05 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 42.45 3hu1 h LEU 198 CO 0.12 0.94 0.76 0.78 0.09 0.00 0.00 178.44 181.12 3hu1 h ASN 199 N 1.04 0.25 -1.43 -0.43 4.21 -1.22 -3.46 115.58 114.55 3hu1 h ASN 199 Ca 0.23 0.06 -0.71 0.00 1.21 0.00 0.00 56.30 57.08 3hu1 h ASN 199 Cb 0.29 0.02 0.06 0.00 -1.12 0.00 0.00 38.32 37.57 3hu1 h ASN 199 CO -0.01 0.03 0.16 -0.62 -1.29 0.00 0.00 177.43 175.70 3hu1 n GLU 200 N -4.45 0.61 -2.51 0.81 1.02 -1.19 -4.86 120.64 110.07 3hu1 n GLU 200 Ca 0.27 0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 3hu1 n GLU 200 Cb 1.08 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.75 3hu1 n GLU 200 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hu1 s VAL 201 N -0.01 4.03 0.39 2.62 1.01 -1.26 -5.06 120.40 122.11 3hu1 s VAL 201 Ca 0.82 1.61 0.04 0.00 0.00 0.00 0.00 61.98 64.45 3hu1 s VAL 201 Cb -1.04 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.26 3hu1 s VAL 201 CO 0.53 0.21 0.07 -0.83 0.00 0.00 0.00 175.10 175.08 3hu1 s GLY 202 N 0.39 2.46 0.62 4.51 0.00 -1.26 -4.14 107.32 109.90 3hu1 s GLY 202 Ca 0.53 -1.53 0.31 0.00 0.00 0.00 0.00 44.72 44.02 3hu1 s GLY 202 CO 0.32 -1.92 2.08 -0.97 0.00 0.00 0.00 173.10 172.61 3hu1 h TYR 203 N 1.84 0.00 0.00 1.90 0.99 -1.96 0.12 116.97 119.86 3hu1 h TYR 203 Ca -0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.33 3hu1 h TYR 203 Cb 1.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.00 3hu1 h TYR 203 CO 1.06 0.00 0.00 -0.44 -0.00 0.00 0.00 178.16 178.78 3hu1 h ASP 204 N 0.00 0.00 0.04 3.88 5.19 -2.00 -2.80 116.42 120.73 3hu1 h ASP 204 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3hu1 h ASP 204 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 3hu1 h ASP 204 CO -0.00 0.00 -0.07 0.47 -3.12 0.00 0.00 179.24 176.52 3hu1 n ASP 205 N -3.01 1.49 -4.30 6.45 9.92 0.43 -4.82 116.55 122.71 3hu1 n ASP 205 Ca 0.00 -1.39 -0.36 0.00 -0.53 0.00 0.00 54.79 52.52 3hu1 n ASP 205 Cb 0.28 0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.67 3hu1 n ASP 205 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3hu1 s ILE 206 N -2.13 3.52 0.13 0.53 1.10 -1.06 -4.99 121.20 118.31 3hu1 s ILE 206 Ca 0.34 -0.73 0.04 0.00 -0.51 0.00 0.00 60.65 59.78 3hu1 s ILE 206 Cb 0.20 -2.76 -0.04 0.00 0.15 0.00 0.00 42.46 40.02 3hu1 s ILE 206 CO 0.38 0.20 0.16 -0.83 -2.11 0.00 0.00 174.94 172.73 3hu1 s GLY 207 N 1.45 1.84 -1.58 1.50 0.00 -1.26 -4.63 107.32 104.64 3hu1 s GLY 207 Ca 0.03 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 3hu1 s GLY 207 CO -0.01 -1.09 0.86 0.61 0.00 0.00 0.00 173.10 173.48 3hu1 n GLY 208 N -0.11 -0.45 0.92 0.20 0.00 -1.26 -4.83 105.19 99.66 3hu1 n GLY 208 Ca -0.08 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.13 3hu1 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hu1 h ARG 210 N 0.47 -0.15 -0.86 0.00 3.08 -1.91 0.77 114.38 115.77 3hu1 h ARG 210 Ca -0.10 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.04 3hu1 h ARG 210 Cb 1.59 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.60 3hu1 h ARG 210 CO 0.04 -0.10 0.52 -0.22 -1.07 0.00 0.00 179.97 179.14 3hu1 h LYS 211 N -0.16 0.87 0.01 0.04 3.64 -2.00 -2.10 116.57 116.88 3hu1 h LYS 211 Ca 0.13 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.23 3hu1 h LYS 211 Cb 0.35 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3hu1 h LYS 211 CO -0.32 0.58 -0.97 1.96 -2.27 0.00 0.00 179.45 178.43 3hu1 h GLN 212 N 0.90 0.40 -0.31 1.90 7.50 -1.69 -2.41 115.11 121.40 3hu1 h GLN 212 Ca 0.40 -0.44 -0.07 0.00 0.50 0.00 0.00 58.65 59.03 3hu1 h GLN 212 Cb 0.28 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 3hu1 h GLN 212 CO -0.21 1.11 -0.12 -0.07 -1.50 0.00 0.00 178.83 178.05 3hu1 h LEU 213 N 0.22 0.51 -0.66 1.46 3.38 -0.62 -1.03 115.31 118.57 3hu1 h LEU 213 Ca -0.08 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3hu1 h LEU 213 Cb 1.61 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 3hu1 h LEU 213 CO 0.17 0.66 0.03 0.00 0.09 0.00 0.00 178.44 179.39 3hu1 h ALA 214 N 1.39 0.87 -0.57 1.53 0.00 -1.26 -1.38 119.26 119.84 3hu1 h ALA 214 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3hu1 h ALA 214 Cb 0.49 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hu1 h ALA 214 CO 0.03 0.67 0.12 1.96 0.00 0.00 0.00 179.25 182.03 3hu1 h GLN 215 N 0.99 0.93 -0.72 0.00 4.20 -1.02 -2.21 115.11 117.27 3hu1 h GLN 215 Ca 0.18 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3hu1 h GLN 215 Cb 0.52 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3hu1 h GLN 215 CO 0.03 0.87 0.22 0.82 -0.67 0.00 0.00 178.83 180.10 3hu1 h ILE 216 N 0.83 1.26 -0.06 2.54 2.04 -0.97 -0.84 117.51 122.32 3hu1 h ILE 216 Ca 0.18 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 3hu1 h ILE 216 Cb 0.38 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3hu1 h ILE 216 CO 0.01 0.35 -0.36 0.11 0.00 0.00 0.00 178.15 178.26 3hu1 h LYS 217 N 1.06 0.11 -0.07 2.37 1.57 -1.10 0.11 116.57 120.63 3hu1 h LYS 217 Ca 0.23 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3hu1 h LYS 217 Cb 0.31 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 3hu1 h LYS 217 CO -0.01 0.46 -0.05 0.93 -0.57 0.00 0.00 179.45 180.22 3hu1 h GLU 218 N 0.10 0.15 0.00 3.15 5.08 -0.88 0.31 114.58 122.49 3hu1 h GLU 218 Ca 0.01 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3hu1 h GLU 218 Cb 0.68 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3hu1 h GLU 218 CO 0.05 0.57 -1.09 0.52 -1.00 0.00 0.00 179.01 178.06 3hu1 h MET 219 N -0.27 0.00 0.00 2.33 2.86 -1.06 -3.38 114.93 115.42 3hu1 h MET 219 Ca 0.01 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 3hu1 h MET 219 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3hu1 h MET 219 CO 0.01 0.32 -0.83 0.28 1.06 0.00 0.00 176.91 177.75 3hu1 n VAL 220 N -2.97 1.06 -0.04 -2.22 0.31 0.38 -4.70 118.33 110.15 3hu1 n VAL 220 Ca -0.05 0.14 -0.15 0.00 -0.01 0.00 0.00 64.34 64.27 3hu1 n VAL 220 Cb 0.78 -1.80 -0.09 0.00 -0.91 0.00 0.00 33.84 31.82 3hu1 n VAL 220 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3hu1 h GLU 221 N -0.39 0.38 -0.25 5.55 4.57 -1.37 -3.23 114.58 119.85 3hu1 h GLU 221 Ca -0.10 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 3hu1 h GLU 221 Cb 0.70 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 3hu1 h GLU 221 CO -0.06 0.91 0.10 1.25 -1.18 0.00 0.00 179.01 180.02 3hu1 h LEU 222 N -0.07 0.13 -0.65 1.64 5.85 -0.59 -1.58 115.31 120.03 3hu1 h LEU 222 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hu1 h LEU 222 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3hu1 h LEU 222 CO 0.07 0.10 0.00 -0.65 -0.34 0.00 0.00 178.44 177.62 3hu1 h PRO 223 N 0.22 0.00 0.14 5.25 0.11 -1.73 -0.53 132.00 135.46 3hu1 h PRO 223 Ca 0.11 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.88 3hu1 h PRO 223 Cb 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 3hu1 h PRO 223 CO -0.10 0.00 -1.70 -0.07 -0.21 0.00 0.00 178.00 175.93 3hu1 h LEU 224 N 0.00 0.45 0.06 2.35 3.38 -1.53 -3.09 115.31 116.93 3hu1 h LEU 224 Ca 0.00 -0.71 -0.26 0.00 0.09 0.00 0.00 57.88 56.99 3hu1 h LEU 224 Cb 0.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3hu1 h LEU 224 CO 0.00 1.61 -1.32 0.03 0.09 0.00 0.00 178.44 178.84 3hu1 h ARG 225 N 0.08 0.12 -2.10 1.13 2.47 -1.31 -3.40 114.38 111.37 3hu1 h ARG 225 Ca -0.31 -0.20 -0.58 0.00 -1.26 0.00 0.00 59.98 57.63 3hu1 h ARG 225 Cb 2.05 0.07 -0.41 0.00 -1.65 0.00 0.00 29.97 30.04 3hu1 h ARG 225 CO 0.15 0.98 -0.86 0.72 0.56 0.00 0.00 179.97 181.52 3hu1 n HIS 226 N -3.36 1.70 0.27 3.04 8.25 -0.21 -4.94 115.22 119.98 3hu1 n HIS 226 Ca -0.09 -3.87 0.13 0.00 -0.26 0.00 0.00 57.72 53.63 3hu1 n HIS 226 Cb 1.00 -0.46 0.76 0.00 1.12 0.00 0.00 29.99 32.42 3hu1 n HIS 226 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hu1 h PRO 227 N 3.97 0.00 -0.85 -0.41 0.13 -1.73 -2.71 132.00 130.41 3hu1 h PRO 227 Ca 0.13 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.40 3hu1 h PRO 227 Cb 0.77 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 3hu1 h PRO 227 CO 0.65 0.09 0.55 0.00 -0.23 0.00 0.00 178.00 179.07 3hu1 h ALA 228 N 1.91 1.88 0.07 -0.56 0.00 -1.92 -1.63 119.26 119.00 3hu1 h ALA 228 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hu1 h ALA 228 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hu1 h ALA 228 CO 0.01 -0.10 -0.03 -0.07 0.00 0.00 0.00 179.25 179.06 3hu1 h LEU 229 N 0.64 -0.08 -0.38 0.00 3.38 -1.87 -0.35 115.31 116.65 3hu1 h LEU 229 Ca 0.42 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 3hu1 h LEU 229 Cb 0.70 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3hu1 h LEU 229 CO -0.18 0.05 -0.50 -0.26 0.09 0.00 0.00 178.44 177.64 3hu1 h PHE 230 N -0.20 1.01 -0.59 1.13 -1.00 -1.66 -2.34 116.94 113.29 3hu1 h PHE 230 Ca -0.01 -0.34 -0.07 0.00 2.81 0.00 0.00 57.97 60.35 3hu1 h PHE 230 Cb 0.17 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3hu1 h PHE 230 CO -0.04 1.15 0.07 -0.22 -1.61 0.00 0.00 178.31 177.66 3hu1 h LYS 231 N 0.64 0.96 -0.25 1.51 3.11 -1.30 -1.47 116.57 119.76 3hu1 h LYS 231 Ca 0.03 -0.25 -0.12 0.00 -2.81 0.00 0.00 60.65 57.50 3hu1 h LYS 231 Cb 1.09 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.20 3hu1 h LYS 231 CO 0.11 0.91 -0.29 0.00 -2.81 0.00 0.00 179.45 177.36 3hu1 h ALA 232 N 1.17 0.37 0.00 5.00 0.00 -0.95 -2.98 119.26 121.86 3hu1 h ALA 232 Ca 0.18 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3hu1 h ALA 232 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hu1 h ALA 232 CO 0.01 0.39 -0.38 0.97 0.00 0.00 0.00 179.25 180.25 3hu1 h ILE 233 N 0.35 1.00 0.00 0.00 2.10 -1.41 -3.47 117.51 116.08 3hu1 h ILE 233 Ca 0.03 -1.44 0.00 0.00 1.08 0.00 0.00 64.86 64.54 3hu1 h ILE 233 Cb 0.87 1.84 0.00 0.00 -1.09 0.00 0.00 36.82 38.44 3hu1 h ILE 233 CO 0.07 0.37 0.00 0.61 -1.08 0.00 0.00 178.15 178.12 3hu1 n GLY 234 N -0.01 0.92 2.83 8.18 0.00 -0.86 -5.11 105.19 111.14 3hu1 n GLY 234 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 3hu1 n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hu1 s VAL 235 N -1.82 0.09 0.11 1.61 1.01 -0.61 -5.04 120.40 115.75 3hu1 s VAL 235 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3hu1 s VAL 235 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.16 3hu1 s VAL 235 CO 0.00 0.09 1.03 -0.54 0.00 0.00 0.00 175.10 175.68 3hu1 s LYS 236 N 0.66 4.63 0.22 2.72 1.02 -1.26 -4.04 119.74 123.68 3hu1 s LYS 236 Ca -0.06 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.19 3hu1 s LYS 236 Cb -0.09 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.78 3hu1 s LYS 236 CO -0.02 0.10 1.15 -1.25 -0.92 0.00 0.00 175.35 174.42 3hu1 s PRO 237 N 0.10 4.55 0.47 -1.68 0.04 -1.26 -4.99 135.00 132.22 3hu1 s PRO 237 Ca 0.49 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 63.12 3hu1 s PRO 237 Cb -0.25 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 30.98 3hu1 s PRO 237 CO 0.31 0.03 1.43 -2.14 0.04 0.00 0.00 177.00 176.68 3hu1 s PRO 238 N -0.72 3.58 0.00 0.56 0.02 -1.26 -4.96 135.00 132.22 3hu1 s PRO 238 Ca 0.49 2.43 0.04 0.00 0.02 0.00 0.00 61.00 63.98 3hu1 s PRO 238 Cb -0.32 -2.60 0.05 0.00 0.02 0.00 0.00 34.50 31.65 3hu1 s PRO 238 CO 0.38 -0.90 0.74 2.89 -0.33 0.00 0.00 177.00 179.78 3hu1 n ARG 239 N -0.33 0.42 -3.54 5.54 1.85 -1.26 -4.96 116.66 114.37 3hu1 n ARG 239 Ca 0.06 -0.97 -0.18 0.00 -1.00 0.00 0.00 57.85 55.76 3hu1 n ARG 239 Cb 0.42 -1.07 -0.13 0.00 -1.05 0.00 0.00 32.46 30.62 3hu1 n ARG 239 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3hu1 s GLY 240 N -0.49 0.01 -0.13 2.89 0.00 -1.12 -1.56 107.32 106.92 3hu1 s GLY 240 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3hu1 s GLY 240 CO 0.05 2.04 -0.14 -0.42 0.00 0.00 0.00 173.10 174.63 3hu1 s ILE 241 N 2.33 2.93 -0.21 0.90 1.09 -0.21 -2.46 121.20 125.57 3hu1 s ILE 241 Ca 0.05 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.92 3hu1 s ILE 241 Cb -0.15 -2.23 0.03 0.00 -1.06 0.00 0.00 42.46 39.05 3hu1 s ILE 241 CO -0.11 0.52 -0.15 -0.22 -0.10 0.00 0.00 174.94 174.89 3hu1 s LEU 242 N 0.46 2.67 -0.07 2.97 2.96 -0.32 -1.11 118.68 126.23 3hu1 s LEU 242 Ca -0.10 -0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 52.76 3hu1 s LEU 242 Cb -0.16 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 3hu1 s LEU 242 CO 0.05 -0.07 0.49 -0.76 -1.32 0.00 0.00 176.35 174.73 3hu1 s LEU 243 N 1.26 4.34 0.10 -0.68 1.43 0.21 -0.92 118.68 124.41 3hu1 s LEU 243 Ca 0.01 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 3hu1 s LEU 243 Cb -0.15 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3hu1 s LEU 243 CO -0.09 0.08 0.01 -0.72 0.23 0.00 0.00 176.35 175.86 3hu1 s TYR 244 N 0.15 0.72 0.00 0.29 -0.85 -0.61 -1.05 117.35 116.00 3hu1 s TYR 244 Ca 0.26 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.66 3hu1 s TYR 244 Cb -0.16 -0.45 0.00 0.00 0.38 0.00 0.00 41.96 41.73 3hu1 s TYR 244 CO 0.12 -0.44 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 3hu1 n GLY 245 N -0.01 0.04 3.68 5.49 0.00 -1.17 -0.45 105.19 112.76 3hu1 n GLY 245 Ca -0.09 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 3hu1 n GLY 245 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hu1 s PRO 246 N -1.86 1.02 0.17 1.61 0.02 -1.26 -4.16 135.00 130.54 3hu1 s PRO 246 Ca 0.00 1.12 -0.34 0.00 0.02 0.00 0.00 61.00 61.80 3hu1 s PRO 246 Cb 0.00 -1.76 -0.14 0.00 0.02 0.00 0.00 34.50 32.62 3hu1 s PRO 246 CO 0.00 -2.49 1.51 -2.30 -0.33 0.00 0.00 177.00 173.39 3hu1 n PRO 247 N -4.09 2.01 -1.22 5.54 -0.02 -1.26 -3.63 135.00 132.33 3hu1 n PRO 247 Ca 0.08 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3hu1 n PRO 247 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3hu1 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hu1 n GLY 248 N 3.02 0.50 0.10 -1.23 0.00 -1.26 -4.93 105.19 101.39 3hu1 n GLY 248 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3hu1 n GLY 248 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hu1 h THR 249 N 0.00 0.56 0.00 2.61 1.35 -1.89 -1.35 112.91 114.19 3hu1 h THR 249 Ca 0.00 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 3hu1 h THR 249 Cb 0.35 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3hu1 h THR 249 CO 0.00 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3hu1 n GLY 250 N 1.37 0.29 0.30 5.82 0.00 -1.26 -4.64 105.19 107.07 3hu1 n GLY 250 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 3hu1 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hu1 h LYS 251 N 0.00 -0.65 -0.45 1.61 1.57 -1.94 0.19 116.57 116.90 3hu1 h LYS 251 Ca 0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hu1 h LYS 251 Cb 0.00 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hu1 h LYS 251 CO 0.00 -0.43 0.18 1.15 -0.57 0.00 0.00 179.45 179.78 3hu1 h THR 252 N -0.68 1.17 -0.60 -0.16 2.02 -1.99 -0.29 112.91 112.39 3hu1 h THR 252 Ca -0.06 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3hu1 h THR 252 Cb 0.54 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3hu1 h THR 252 CO 0.08 0.21 0.28 0.25 0.37 0.00 0.00 175.52 176.71 3hu1 h LEU 253 N 0.64 0.79 -0.90 2.58 5.85 -1.82 -1.10 115.31 121.36 3hu1 h LEU 253 Ca 0.16 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3hu1 h LEU 253 Cb 0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hu1 h LEU 253 CO -0.02 0.70 0.15 0.40 -0.34 0.00 0.00 178.44 179.34 3hu1 h ILE 254 N 0.82 1.24 -0.51 4.05 2.04 0.48 -1.36 117.51 124.27 3hu1 h ILE 254 Ca 0.20 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.23 3hu1 h ILE 254 Cb 0.13 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3hu1 h ILE 254 CO -0.02 0.34 0.25 0.00 0.00 0.00 0.00 178.15 178.71 3hu1 h ALA 255 N 1.24 0.65 -0.40 1.87 0.00 -0.31 0.17 119.26 122.48 3hu1 h ALA 255 Ca 0.20 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 3hu1 h ALA 255 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hu1 h ALA 255 CO -0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 179.25 178.80 3hu1 h ARG 256 N 0.48 0.93 -0.11 0.00 2.47 -0.98 -2.08 114.38 115.09 3hu1 h ARG 256 Ca 0.23 -0.46 -0.00 0.00 -1.26 0.00 0.00 59.98 58.49 3hu1 h ARG 256 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 3hu1 h ARG 256 CO -0.17 1.12 0.05 0.00 0.56 0.00 0.00 179.97 181.53 3hu1 h ALA 257 N 0.83 0.14 -0.24 0.04 0.00 -0.25 -2.21 119.26 117.57 3hu1 h ALA 257 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hu1 h ALA 257 Cb 0.92 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3hu1 h ALA 257 CO 0.09 -0.30 0.08 0.28 0.00 0.00 0.00 179.25 179.39 3hu1 h VAL 258 N 0.05 0.93 -0.96 0.00 2.07 -0.65 0.71 116.25 118.40 3hu1 h VAL 258 Ca 0.04 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.67 3hu1 h VAL 258 Cb 0.11 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 3hu1 h VAL 258 CO -0.00 0.03 0.61 0.00 0.02 0.00 0.00 177.57 178.23 3hu1 h ALA 259 N 1.15 1.81 0.00 1.67 0.00 -1.08 -0.05 119.26 122.76 3hu1 h ALA 259 Ca 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hu1 h ALA 259 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hu1 h ALA 259 CO -0.11 -0.12 -1.01 -0.91 0.00 0.00 0.00 179.25 177.10 3hu1 h ASN 260 N 0.70 0.00 0.00 0.00 -0.26 -0.53 -3.37 115.58 112.12 3hu1 h ASN 260 Ca 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.26 3hu1 h ASN 260 Cb 0.88 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.14 3hu1 h ASN 260 CO -0.29 0.09 -1.12 -0.62 -1.06 0.00 0.00 177.43 174.44 3hu1 n GLU 261 N -2.74 0.49 -3.59 0.81 -0.58 0.09 -3.76 120.64 111.36 3hu1 n GLU 261 Ca -0.01 -0.03 -0.29 0.00 -0.42 0.00 0.00 57.16 56.41 3hu1 n GLU 261 Cb 0.59 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.99 3hu1 n GLU 261 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3hu1 s THR 262 N -2.97 5.15 0.01 2.62 -4.23 -0.42 -4.61 115.64 111.19 3hu1 s THR 262 Ca 0.05 -0.17 0.22 0.00 -1.18 0.00 0.00 61.69 60.61 3hu1 s THR 262 Cb 0.15 -3.71 0.21 0.00 1.34 0.00 0.00 72.50 70.49 3hu1 s THR 262 CO 0.82 -0.17 1.72 1.23 -0.54 0.00 0.00 174.62 177.68 3hu1 h GLY 263 N 2.09 0.00 -2.20 3.99 0.00 -1.95 -3.46 103.07 101.54 3hu1 h GLY 263 Ca -0.47 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.36 3hu1 h GLY 263 CO 0.68 0.00 0.42 0.00 0.00 0.00 0.00 176.54 177.65 3hu1 s ALA 264 N -3.45 2.81 0.26 3.60 0.00 -1.26 -5.03 121.76 118.70 3hu1 s ALA 264 Ca 0.02 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3hu1 s ALA 264 Cb 0.09 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 3hu1 s ALA 264 CO 0.66 -0.57 1.38 0.12 0.00 0.00 0.00 175.76 177.35 3hu1 s PHE 265 N -1.80 3.07 -0.06 0.00 5.36 -0.97 -4.85 117.98 118.72 3hu1 s PHE 265 Ca 0.69 1.16 0.06 0.00 -0.96 0.00 0.00 56.93 57.88 3hu1 s PHE 265 Cb -0.22 -3.75 -0.01 0.00 -0.34 0.00 0.00 43.02 38.71 3hu1 s PHE 265 CO 0.26 -2.32 -0.24 0.12 -1.46 0.00 0.00 175.22 171.58 3hu1 s PHE 266 N -0.28 2.32 -0.11 10.12 5.36 -1.26 -0.25 117.98 133.88 3hu1 s PHE 266 Ca 0.56 -0.71 0.01 0.00 -0.96 0.00 0.00 56.93 55.83 3hu1 s PHE 266 Cb -0.40 -1.53 0.02 0.00 -0.34 0.00 0.00 43.02 40.77 3hu1 s PHE 266 CO 0.45 -0.23 -0.12 0.12 -1.46 0.00 0.00 175.22 173.98 3hu1 s PHE 267 N -0.08 1.73 -0.14 10.12 2.19 0.48 -4.97 117.98 127.30 3hu1 s PHE 267 Ca -0.05 -0.82 -0.08 0.00 0.33 0.00 0.00 56.93 56.31 3hu1 s PHE 267 Cb -0.14 -1.31 -0.04 0.00 -1.31 0.00 0.00 43.02 40.22 3hu1 s PHE 267 CO 0.04 -0.47 0.14 -1.17 1.83 0.00 0.00 175.22 175.59 3hu1 s LEU 268 N 1.23 4.34 -0.11 6.12 2.96 -1.26 -0.42 118.68 131.54 3hu1 s LEU 268 Ca -0.03 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3hu1 s LEU 268 Cb -0.14 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3hu1 s LEU 268 CO -0.04 0.34 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.59 3hu1 s ILE 269 N -0.64 1.22 -0.20 6.68 1.01 0.13 -4.94 121.20 124.46 3hu1 s ILE 269 Ca 0.13 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 3hu1 s ILE 269 Cb -0.12 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 3hu1 s ILE 269 CO 0.02 0.39 0.20 0.20 0.00 0.00 0.00 174.94 175.76 3hu1 s ASN 270 N 1.29 6.27 0.12 3.58 0.01 -1.26 -0.24 114.94 124.71 3hu1 s ASN 270 Ca -0.02 0.30 -0.26 0.00 -0.71 0.00 0.00 52.86 52.17 3hu1 s ASN 270 Cb -0.14 -2.13 -0.07 0.00 0.41 0.00 0.00 41.25 39.32 3hu1 s ASN 270 CO -0.05 0.11 1.45 1.23 -1.51 0.00 0.00 177.10 178.34 3hu1 h GLY 271 N 6.94 -1.16 1.73 0.66 0.00 -0.57 -1.90 103.07 108.76 3hu1 h GLY 271 Ca -0.40 0.82 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 3hu1 h GLY 271 CO 0.73 -0.17 0.05 -2.55 0.00 0.00 0.00 176.54 174.60 3hu1 h PRO 272 N -0.13 0.35 -0.34 4.80 0.11 -1.84 -1.47 132.00 133.48 3hu1 h PRO 272 Ca 0.11 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3hu1 h PRO 272 Cb 0.40 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3hu1 h PRO 272 CO -0.68 0.34 0.13 1.49 -0.21 0.00 0.00 178.00 179.07 3hu1 h GLU 273 N 0.34 0.48 -0.00 1.05 4.22 -1.81 -1.44 114.58 117.42 3hu1 h GLU 273 Ca 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.46 3hu1 h GLU 273 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hu1 h GLU 273 CO -0.00 0.41 -0.02 0.82 -2.18 0.00 0.00 179.01 178.04 3hu1 h ILE 274 N 0.48 1.61 0.00 2.32 1.08 -0.54 -3.33 117.51 119.13 3hu1 h ILE 274 Ca 0.12 -1.81 0.00 0.00 -0.39 0.00 0.00 64.86 62.78 3hu1 h ILE 274 Cb 0.12 2.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 3hu1 h ILE 274 CO -0.01 0.47 0.00 0.23 -0.69 0.00 0.00 178.15 178.15 3hu1 n MET 275 N -4.70 0.01 0.05 2.37 2.81 -0.73 -1.76 117.12 115.17 3hu1 n MET 275 Ca -0.09 0.30 0.13 0.00 -1.81 0.00 0.00 57.70 56.23 3hu1 n MET 275 Cb 0.39 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 31.79 3hu1 n MET 275 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3hu1 n SER 276 N -1.48 0.53 -4.90 7.83 3.41 -0.58 -4.92 113.62 113.51 3hu1 n SER 276 Ca 0.03 0.36 -0.28 0.00 -0.26 0.00 0.00 58.87 58.72 3hu1 n SER 276 Cb 0.13 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3hu1 n SER 276 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hu1 s LYS 277 N -3.07 3.64 0.61 4.33 1.02 -0.72 -5.06 119.74 120.48 3hu1 s LYS 277 Ca 0.11 0.16 -0.18 0.00 0.02 0.00 0.00 55.97 56.08 3hu1 s LYS 277 Cb 0.15 -2.50 -0.06 0.00 -0.52 0.00 0.00 37.83 34.90 3hu1 s LYS 277 CO 0.62 0.02 0.66 1.28 -0.92 0.00 0.00 175.35 177.01 3hu1 n LEU 278 N -1.50 1.73 -4.68 3.17 4.77 -1.26 -4.67 117.00 114.56 3hu1 n LEU 278 Ca -0.00 0.72 -0.47 0.00 -0.03 0.00 0.00 56.01 56.23 3hu1 n LEU 278 Cb 0.54 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 3hu1 n LEU 278 CO 0.49 -2.70 1.48 0.00 -1.33 0.00 0.00 177.39 175.34 3hu1 n ALA 279 N -1.87 1.02 0.00 -1.18 0.00 -1.26 -2.09 120.51 115.13 3hu1 n ALA 279 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3hu1 n ALA 279 Cb 0.48 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3hu1 n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hu1 n GLY 280 N 4.35 2.68 0.29 0.00 0.00 -1.26 -4.75 105.19 106.50 3hu1 n GLY 280 Ca 0.22 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.72 3hu1 n GLY 280 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hu1 h GLU 281 N 0.00 0.00 -0.13 1.61 4.81 -1.85 0.29 114.58 119.31 3hu1 h GLU 281 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3hu1 h GLU 281 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hu1 h GLU 281 CO 0.00 0.00 -0.34 0.66 -0.73 0.00 0.00 179.01 178.60 3hu1 h SER 282 N 0.00 0.52 -0.32 1.04 4.64 -1.69 -2.78 113.55 114.96 3hu1 h SER 282 Ca 0.00 -0.58 -0.03 0.00 -0.47 0.00 0.00 61.79 60.71 3hu1 h SER 282 Cb 0.01 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3hu1 h SER 282 CO -0.00 1.01 0.11 -0.33 -0.87 0.00 0.00 176.83 176.76 3hu1 h GLU 283 N 0.05 0.56 -0.37 4.77 3.07 -1.67 -2.48 114.58 118.50 3hu1 h GLU 283 Ca -0.01 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 3hu1 h GLU 283 Cb 0.95 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 3hu1 h GLU 283 CO 0.07 0.50 0.12 1.03 -1.40 0.00 0.00 179.01 179.33 3hu1 h SER 284 N 0.55 0.54 -0.27 1.42 0.87 -1.03 -1.97 113.55 113.67 3hu1 h SER 284 Ca 0.13 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 3hu1 h SER 284 Cb 0.18 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3hu1 h SER 284 CO -0.01 0.60 -0.04 0.78 -0.53 0.00 0.00 176.83 177.63 3hu1 h ASN 285 N 0.46 0.60 0.08 6.23 -0.26 -1.19 -0.86 115.58 120.64 3hu1 h ASN 285 Ca 0.12 -0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3hu1 h ASN 285 Cb 0.26 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 3hu1 h ASN 285 CO -0.00 0.70 -0.04 -0.07 -1.06 0.00 0.00 177.43 176.96 3hu1 h LEU 286 N 0.59 -0.09 -0.42 1.61 3.38 -1.26 -0.36 115.31 118.75 3hu1 h LEU 286 Ca 0.12 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hu1 h LEU 286 Cb 0.44 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hu1 h LEU 286 CO 0.02 -0.05 0.22 0.03 0.09 0.00 0.00 178.44 178.75 3hu1 h ARG 287 N -0.13 0.43 -0.87 1.13 3.08 -1.24 -2.44 114.38 114.35 3hu1 h ARG 287 Ca -0.01 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3hu1 h ARG 287 Cb 0.10 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3hu1 h ARG 287 CO 0.02 0.29 0.57 -0.22 -1.07 0.00 0.00 179.97 179.55 3hu1 h LYS 288 N 0.44 0.92 -0.37 0.04 1.63 -1.04 0.15 116.57 118.34 3hu1 h LYS 288 Ca 0.18 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 3hu1 h LYS 288 Cb 0.07 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 3hu1 h LYS 288 CO -0.12 0.61 0.19 0.00 -3.45 0.00 0.00 179.45 176.68 3hu1 h ALA 289 N 1.54 0.48 -0.11 5.00 0.00 -0.60 0.08 119.26 125.64 3hu1 h ALA 289 Ca 0.38 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3hu1 h ALA 289 Cb 0.27 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hu1 h ALA 289 CO -0.15 0.03 -0.50 0.74 0.00 0.00 0.00 179.25 179.37 3hu1 h PHE 290 N 0.47 0.71 -0.97 0.00 -1.00 -0.82 -1.28 116.94 114.05 3hu1 h PHE 290 Ca 0.13 -0.31 0.00 0.00 2.81 0.00 0.00 57.97 60.60 3hu1 h PHE 290 Cb 0.10 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.50 3hu1 h PHE 290 CO -0.02 1.09 0.62 0.93 -1.61 0.00 0.00 178.31 179.32 3hu1 h GLU 291 N 0.13 1.29 -0.32 1.51 5.08 -0.75 -0.25 114.58 121.27 3hu1 h GLU 291 Ca -0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3hu1 h GLU 291 Cb 1.14 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hu1 h GLU 291 CO 0.10 0.87 0.04 1.49 -1.00 0.00 0.00 179.01 180.51 3hu1 h GLU 292 N 1.32 0.54 -0.56 2.33 4.57 -0.95 -1.31 114.58 120.52 3hu1 h GLU 292 Ca 0.35 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 3hu1 h GLU 292 Cb -0.12 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 3hu1 h GLU 292 CO -0.07 0.65 0.20 0.00 -1.18 0.00 0.00 179.01 178.61 3hu1 h ALA 293 N 0.87 0.73 -0.54 2.92 0.00 -1.05 -2.37 119.26 119.83 3hu1 h ALA 293 Ca 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hu1 h ALA 293 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3hu1 h ALA 293 CO 0.01 0.36 0.17 0.93 0.00 0.00 0.00 179.25 180.72 3hu1 h GLU 294 N 0.77 0.79 -0.08 0.00 5.08 -0.99 -2.73 114.58 117.41 3hu1 h GLU 294 Ca 0.18 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 3hu1 h GLU 294 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hu1 h GLU 294 CO -0.01 0.68 -0.52 -0.22 -1.00 0.00 0.00 179.01 177.94 3hu1 h LYS 295 N 0.78 0.22 -4.18 2.33 3.64 -1.11 -3.42 116.57 114.82 3hu1 h LYS 295 Ca 0.18 -0.13 -0.73 0.00 -1.27 0.00 0.00 60.65 58.70 3hu1 h LYS 295 Cb 0.22 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 31.75 3hu1 h LYS 295 CO -0.01 0.69 -0.35 -0.80 -2.27 0.00 0.00 179.45 176.70 3hu1 s ASN 296 N -6.89 5.72 0.71 4.20 -0.87 -0.91 -5.06 114.94 111.85 3hu1 s ASN 296 Ca -0.04 -2.10 0.00 0.00 -1.57 0.00 0.00 52.86 49.15 3hu1 s ASN 296 Cb 0.13 -2.00 0.00 0.00 -0.02 0.00 0.00 41.25 39.35 3hu1 s ASN 296 CO 0.78 -0.64 0.00 0.00 -2.57 0.00 0.00 177.10 174.67 3hu1 n ALA 297 N 4.64 -0.31 -1.64 0.60 0.00 -1.26 -4.07 120.51 118.46 3hu1 n ALA 297 Ca -0.04 0.03 -0.49 0.00 0.00 0.00 0.00 53.44 52.94 3hu1 n ALA 297 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 3hu1 n ALA 297 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hu1 n PRO 298 N -1.69 1.72 -4.10 0.00 -0.01 -1.26 -4.88 135.00 124.78 3hu1 n PRO 298 Ca 0.00 0.62 -0.13 0.00 -0.01 0.00 0.00 63.50 63.98 3hu1 n PRO 298 Cb 0.05 -2.34 -0.11 0.00 -0.01 0.00 0.00 33.50 31.08 3hu1 n PRO 298 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3hu1 s ALA 299 N 1.13 0.74 -0.15 3.55 0.00 -0.87 -2.30 121.76 123.87 3hu1 s ALA 299 Ca 0.83 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 3hu1 s ALA 299 Cb -0.81 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3hu1 s ALA 299 CO 0.44 -0.03 -0.10 0.42 0.00 0.00 0.00 175.76 176.48 3hu1 s ILE 300 N -1.79 3.19 -0.23 0.00 1.01 0.65 -2.23 121.20 121.81 3hu1 s ILE 300 Ca -0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 3hu1 s ILE 300 Cb -0.07 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3hu1 s ILE 300 CO -0.00 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.86 3hu1 s ILE 301 N 0.57 4.25 -0.32 2.92 1.01 -0.58 -0.38 121.20 128.67 3hu1 s ILE 301 Ca -0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3hu1 s ILE 301 Cb -0.15 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.39 3hu1 s ILE 301 CO 0.03 0.38 0.08 0.12 0.00 0.00 0.00 174.94 175.55 3hu1 s PHE 302 N 1.32 3.24 -0.64 3.97 5.36 0.44 0.18 117.98 131.85 3hu1 s PHE 302 Ca 0.05 -1.48 -0.19 0.00 -0.96 0.00 0.00 56.93 54.35 3hu1 s PHE 302 Cb -0.15 -2.23 0.11 0.00 -0.34 0.00 0.00 43.02 40.41 3hu1 s PHE 302 CO 0.03 -0.73 0.77 0.42 -1.46 0.00 0.00 175.22 174.25 3hu1 s ILE 303 N 1.38 4.82 0.23 3.12 1.01 0.65 -0.70 121.20 131.72 3hu1 s ILE 303 Ca -0.02 -1.09 -0.26 0.00 0.00 0.00 0.00 60.65 59.27 3hu1 s ILE 303 Cb -0.19 -4.53 -0.09 0.00 0.01 0.00 0.00 42.46 37.66 3hu1 s ILE 303 CO 0.02 -1.19 0.86 -0.62 0.00 0.00 0.00 174.94 174.01 3hu1 s ASP 304 N 3.54 7.43 -1.14 3.58 2.15 0.66 -2.10 116.67 130.79 3hu1 s ASP 304 Ca 0.15 1.76 -0.09 0.00 0.43 0.00 0.00 52.55 54.81 3hu1 s ASP 304 Cb -0.21 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.84 3hu1 s ASP 304 CO 0.04 0.12 0.85 -0.62 -0.17 0.00 0.00 175.17 175.39 3hu1 n GLU 305 N 1.26 -2.91 0.12 4.34 1.02 -0.81 0.03 120.64 123.68 3hu1 n GLU 305 Ca -0.03 0.70 0.15 0.00 -0.02 0.00 0.00 57.16 57.96 3hu1 n GLU 305 Cb 0.49 -5.21 0.67 0.00 -0.02 0.00 0.00 31.44 27.37 3hu1 n GLU 305 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hu1 h LEU 306 N -1.55 0.00 -2.16 -4.62 5.85 -1.36 -1.89 115.31 109.58 3hu1 h LEU 306 Ca -0.62 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 3hu1 h LEU 306 Cb 1.34 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 3hu1 h LEU 306 CO 0.48 0.00 -0.05 -2.24 -0.34 0.00 0.00 178.44 176.30 3hu1 h ASP 307 N 0.00 0.00 -0.37 1.25 3.04 -1.85 -0.03 116.42 118.46 3hu1 h ASP 307 Ca 0.14 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.82 3hu1 h ASP 307 Cb 0.57 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.85 3hu1 h ASP 307 CO -0.00 0.05 -0.18 0.00 -2.04 0.00 0.00 179.24 177.07 3hu1 h ALA 308 N 1.95 0.86 0.00 4.15 0.00 -1.71 -3.33 119.26 121.19 3hu1 h ALA 308 Ca -0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 3hu1 h ALA 308 Cb 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3hu1 h ALA 308 CO 0.01 0.64 -1.90 0.44 0.00 0.00 0.00 179.25 178.44 3hu1 n ILE 309 N -4.13 1.04 -3.25 0.00 -5.35 -0.70 -4.72 119.36 102.26 3hu1 n ILE 309 Ca 0.01 -0.72 -0.25 0.00 -0.27 0.00 0.00 62.75 61.52 3hu1 n ILE 309 Cb 0.42 -0.51 -0.07 0.00 -1.74 0.00 0.00 39.64 37.75 3hu1 n ILE 309 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hu1 n ALA 310 N -2.50 3.42 -1.92 -1.28 0.00 -0.11 -4.27 120.51 113.85 3hu1 n ALA 310 Ca -0.17 -4.18 -0.28 0.00 0.00 0.00 0.00 53.44 48.81 3hu1 n ALA 310 Cb 0.91 -0.85 0.11 0.00 0.00 0.00 0.00 19.45 19.62 3hu1 n ALA 310 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hu1 s PRO 311 N -2.22 1.68 -0.34 0.00 0.04 -1.25 -2.64 135.00 130.27 3hu1 s PRO 311 Ca 0.40 -0.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.01 3hu1 s PRO 311 Cb 0.20 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 3hu1 s PRO 311 CO -0.07 -1.71 2.13 0.15 0.04 0.00 0.00 177.00 177.54 3hu1 s LYS 312 N -5.56 2.91 0.49 4.56 1.02 -0.78 -3.88 119.74 118.49 3hu1 s LYS 312 Ca 0.65 1.63 0.37 0.00 0.02 0.00 0.00 55.97 58.64 3hu1 s LYS 312 Cb -0.09 -4.38 1.52 0.00 -0.52 0.00 0.00 37.83 34.36 3hu1 s LYS 312 CO 0.49 -2.36 1.64 0.00 -0.92 0.00 0.00 175.35 174.20 3hu1 h ARG 313 N 15.55 0.06 -0.92 1.68 3.08 -1.92 0.31 114.38 132.21 3hu1 h ARG 313 Ca -0.34 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.75 3hu1 h ARG 313 Cb 1.22 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 3hu1 h ARG 313 CO 1.04 0.04 0.59 1.05 -1.07 0.00 0.00 179.97 181.62 3hu1 h GLU 314 N 0.06 1.08 -2.45 0.04 4.11 -2.02 -3.35 114.58 112.05 3hu1 h GLU 314 Ca 0.81 -0.06 -0.60 0.00 0.07 0.00 0.00 59.36 59.57 3hu1 h GLU 314 Cb 2.84 -0.24 -0.42 0.00 0.50 0.00 0.00 28.75 31.43 3hu1 h GLU 314 CO -0.23 0.71 -0.62 1.17 0.07 0.00 0.00 179.01 180.12 3hu1 n LYS 315 N -4.54 2.20 -3.63 1.06 4.81 0.11 -4.99 118.16 113.17 3hu1 n LYS 315 Ca 0.13 -4.52 -0.03 0.00 -0.87 0.00 0.00 58.31 53.01 3hu1 n LYS 315 Cb 0.13 -2.21 -0.05 0.00 0.02 0.00 0.00 35.03 32.92 3hu1 n LYS 315 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3hu1 s THR 316 N -2.08 -0.62 0.04 3.15 -1.32 -1.24 -4.60 115.64 108.98 3hu1 s THR 316 Ca 0.35 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.65 3hu1 s THR 316 Cb 0.09 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.91 3hu1 s THR 316 CO -0.07 0.00 1.24 0.45 -2.21 0.00 0.00 174.62 174.03 3hu1 h HIS 317 N 7.59 0.68 -3.81 9.09 3.86 -1.94 -3.46 115.15 127.16 3hu1 h HIS 317 Ca -0.22 -0.29 -0.49 0.00 -1.16 0.00 0.00 60.37 58.21 3hu1 h HIS 317 Cb 1.15 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.50 3hu1 h HIS 317 CO 0.12 1.06 0.39 0.20 0.86 0.00 0.00 177.93 180.57 3hu1 s GLY 318 N -3.88 3.02 0.17 2.45 0.00 -1.26 -4.98 107.32 102.84 3hu1 s GLY 318 Ca -0.13 0.70 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 3hu1 s GLY 318 CO 0.82 1.25 1.68 0.83 0.00 0.00 0.00 173.10 177.68 3hu1 h GLU 319 N 3.75 0.91 -1.00 2.90 5.08 -2.00 -2.36 114.58 121.87 3hu1 h GLU 319 Ca -0.46 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 57.70 3hu1 h GLU 319 Cb 1.20 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 3hu1 h GLU 319 CO 0.67 0.84 0.66 0.28 -1.00 0.00 0.00 179.01 180.46 3hu1 h VAL 320 N 0.81 1.23 -0.46 3.13 2.07 -1.98 0.01 116.25 121.06 3hu1 h VAL 320 Ca 0.18 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3hu1 h VAL 320 Cb 0.34 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3hu1 h VAL 320 CO 0.00 0.24 -0.12 -0.33 0.02 0.00 0.00 177.57 177.38 3hu1 h GLU 321 N 1.33 0.84 -0.27 1.57 5.08 -1.92 -1.58 114.58 119.64 3hu1 h GLU 321 Ca 0.38 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 3hu1 h GLU 321 Cb -0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3hu1 h GLU 321 CO -0.09 0.92 -0.47 0.00 -1.00 0.00 0.00 179.01 178.37 3hu1 h ARG 322 N 0.76 0.72 -0.26 2.33 3.08 -0.97 -3.18 114.38 116.86 3hu1 h ARG 322 Ca 0.12 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 3hu1 h ARG 322 Cb 0.63 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3hu1 h ARG 322 CO 0.04 1.03 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.79 3hu1 h ARG 323 N 0.57 0.42 -0.37 0.04 2.43 -0.51 -2.69 114.38 114.27 3hu1 h ARG 323 Ca 0.03 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3hu1 h ARG 323 Cb 1.03 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3hu1 h ARG 323 CO 0.10 0.52 0.01 0.82 -1.51 0.00 0.00 179.97 179.91 3hu1 h ILE 324 N 0.40 1.26 -0.31 1.20 5.03 -1.29 -0.66 117.51 123.14 3hu1 h ILE 324 Ca 0.08 -0.97 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 3hu1 h ILE 324 Cb 0.41 1.16 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 3hu1 h ILE 324 CO 0.02 0.32 0.20 0.58 -0.68 0.00 0.00 178.15 178.60 3hu1 h VAL 325 N 0.47 1.08 -0.93 1.67 2.07 -1.48 -0.40 116.25 118.73 3hu1 h VAL 325 Ca 0.11 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.51 3hu1 h VAL 325 Cb 0.45 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3hu1 h VAL 325 CO 0.02 0.08 0.61 0.28 0.02 0.00 0.00 177.57 178.58 3hu1 h SER 326 N 0.42 1.02 -0.82 0.57 0.02 -1.42 -1.53 113.55 111.81 3hu1 h SER 326 Ca 0.11 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3hu1 h SER 326 Cb -0.05 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3hu1 h SER 326 CO -0.02 0.70 0.37 -0.61 -1.14 0.00 0.00 176.83 176.13 3hu1 h GLN 327 N 1.18 1.19 -0.03 3.45 5.75 0.17 -2.24 115.11 124.58 3hu1 h GLN 327 Ca 0.37 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3hu1 h GLN 327 Cb -0.01 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.33 3hu1 h GLN 327 CO -0.11 0.93 -0.03 1.25 -2.65 0.00 0.00 178.83 178.23 3hu1 h LEU 328 N 1.17 0.08 -0.55 -2.39 5.85 -0.37 -2.40 115.31 116.70 3hu1 h LEU 328 Ca 0.28 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.63 3hu1 h LEU 328 Cb 0.15 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 3hu1 h LEU 328 CO -0.03 0.54 0.10 -0.07 -0.34 0.00 0.00 178.44 178.64 3hu1 h LEU 329 N -0.37 -0.03 -0.90 2.25 3.38 -1.24 -0.31 115.31 118.09 3hu1 h LEU 329 Ca 0.01 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3hu1 h LEU 329 Cb 0.51 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3hu1 h LEU 329 CO 0.01 0.01 0.59 0.74 0.09 0.00 0.00 178.44 179.87 3hu1 h THR 330 N 0.23 1.19 -0.13 0.22 2.02 -1.37 -2.17 112.91 112.90 3hu1 h THR 330 Ca 0.29 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3hu1 h THR 330 Cb 0.41 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3hu1 h THR 330 CO -0.38 0.22 0.01 -0.07 0.37 0.00 0.00 175.52 175.67 3hu1 h LEU 331 N 1.18 0.22 -0.93 2.58 3.38 -0.76 0.90 115.31 121.87 3hu1 h LEU 331 Ca 0.34 -0.29 0.20 0.00 0.09 0.00 0.00 57.88 58.23 3hu1 h LEU 331 Cb -0.08 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.50 3hu1 h LEU 331 CO -0.09 0.45 0.50 0.24 0.09 0.00 0.00 178.44 179.62 3hu1 h MET 332 N -0.02 0.55 0.00 1.13 2.86 -0.79 -0.84 114.93 117.81 3hu1 h MET 332 Ca 0.04 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3hu1 h MET 332 Cb 0.33 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3hu1 h MET 332 CO 0.00 0.37 -0.96 -0.44 1.06 0.00 0.00 176.91 176.94 3hu1 h ASP 333 N 0.57 0.00 0.12 1.22 3.32 -1.26 -3.35 116.42 117.04 3hu1 h ASP 333 Ca 0.56 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.57 3hu1 h ASP 333 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3hu1 h ASP 333 CO -0.45 0.30 -0.16 1.23 -1.72 0.00 0.00 179.24 178.45 3hu1 h GLY 334 N 3.81 0.08 -5.65 2.75 0.00 0.65 -3.41 103.07 101.30 3hu1 h GLY 334 Ca -0.06 -0.05 -0.56 0.00 0.00 0.00 0.00 47.33 46.66 3hu1 h GLY 334 CO 0.03 0.04 1.08 1.08 0.00 0.00 0.00 176.54 178.77 3hu1 s LEU 335 N -8.70 4.08 0.78 3.11 1.43 -1.03 -5.03 118.68 113.33 3hu1 s LEU 335 Ca -0.04 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 3hu1 s LEU 335 Cb 0.16 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.90 3hu1 s LEU 335 CO 0.71 -1.07 1.12 -0.54 0.23 0.00 0.00 176.35 176.80 3hu1 s LYS 336 N 4.27 2.23 0.20 1.70 1.02 -1.26 -5.00 119.74 122.90 3hu1 s LYS 336 Ca 0.69 0.42 -0.11 0.00 0.02 0.00 0.00 55.97 56.99 3hu1 s LYS 336 Cb -0.27 -1.95 0.26 0.00 -0.52 0.00 0.00 37.83 35.35 3hu1 s LYS 336 CO 0.27 -1.47 1.70 1.96 -0.92 0.00 0.00 175.35 176.89 3hu1 h GLN 337 N -0.97 0.22 0.00 1.68 1.08 -1.97 -2.79 115.11 112.35 3hu1 h GLN 337 Ca -0.46 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 3hu1 h GLN 337 Cb 1.28 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 3hu1 h GLN 337 CO 0.63 0.14 0.00 2.89 -0.95 0.00 0.00 178.83 181.54 3hu1 n ARG 338 N -5.15 0.69 0.09 1.46 -4.01 -1.26 -2.90 116.66 105.59 3hu1 n ARG 338 Ca 0.08 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.83 3hu1 n ARG 338 Cb 0.30 -1.01 0.06 0.00 -3.04 0.00 0.00 32.46 28.78 3hu1 n ARG 338 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3hu1 h ALA 339 N 2.40 0.71 -6.17 2.89 0.00 -1.88 -3.48 119.26 113.72 3hu1 h ALA 339 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 54.91 53.84 3hu1 h ALA 339 Cb 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 17.76 3hu1 h ALA 339 CO 0.00 0.85 -0.89 0.72 0.00 0.00 0.00 179.25 179.93 3hu1 n HIS 340 N -3.74 -1.90 -4.26 0.00 8.25 -1.14 -4.81 115.22 107.61 3hu1 n HIS 340 Ca -0.02 0.65 -0.27 0.00 -0.26 0.00 0.00 57.72 57.82 3hu1 n HIS 340 Cb 0.71 -3.83 -0.17 0.00 1.12 0.00 0.00 29.99 27.83 3hu1 n HIS 340 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hu1 s VAL 341 N -3.62 1.21 -0.12 1.59 1.01 -1.26 -2.04 120.40 117.16 3hu1 s VAL 341 Ca 0.24 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3hu1 s VAL 341 Cb -0.08 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3hu1 s VAL 341 CO 0.84 0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 175.69 3hu1 s ILE 342 N 1.18 4.18 -0.23 2.22 -1.09 -0.94 -4.94 121.20 121.57 3hu1 s ILE 342 Ca -0.04 -0.27 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 3hu1 s ILE 342 Cb -0.14 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 3hu1 s ILE 342 CO -0.03 0.54 0.04 -0.69 -1.23 0.00 0.00 174.94 173.58 3hu1 s VAL 343 N -0.25 4.14 0.06 2.92 1.01 -0.60 -1.52 120.40 126.16 3hu1 s VAL 343 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.83 3hu1 s VAL 343 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3hu1 s VAL 343 CO 0.02 0.37 0.04 -0.04 0.00 0.00 0.00 175.10 175.49 3hu1 s MET 344 N 1.45 2.78 -0.01 2.72 -1.94 0.13 -1.04 119.30 123.38 3hu1 s MET 344 Ca 0.05 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.21 3hu1 s MET 344 Cb -0.15 -2.67 0.02 0.00 2.01 0.00 0.00 34.83 34.04 3hu1 s MET 344 CO 0.02 0.58 0.25 0.00 -0.01 0.00 0.00 175.02 175.86 3hu1 s ALA 345 N -1.29 -0.61 0.02 3.03 0.00 -0.27 -0.25 121.76 122.40 3hu1 s ALA 345 Ca 0.26 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.45 3hu1 s ALA 345 Cb -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3hu1 s ALA 345 CO 0.18 -0.24 -0.19 0.00 0.00 0.00 0.00 175.76 175.51 3hu1 s ALA 346 N -1.31 1.58 0.06 0.00 0.00 -0.89 0.65 121.76 121.85 3hu1 s ALA 346 Ca -0.14 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 3hu1 s ALA 346 Cb -0.06 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3hu1 s ALA 346 CO 0.03 0.36 0.40 -0.08 0.00 0.00 0.00 175.76 176.47 3hu1 s THR 347 N -0.68 0.06 -1.77 0.00 -1.32 -0.22 -1.39 115.64 110.32 3hu1 s THR 347 Ca 0.06 -0.50 0.15 0.00 -1.21 0.00 0.00 61.69 60.19 3hu1 s THR 347 Cb -0.08 -0.99 0.18 0.00 -1.51 0.00 0.00 72.50 70.10 3hu1 s THR 347 CO 0.01 -0.28 1.06 -0.46 -2.21 0.00 0.00 174.62 172.74 3hu1 n ASN 348 N 0.38 2.47 -3.30 8.08 0.23 -1.26 -3.03 115.26 118.84 3hu1 n ASN 348 Ca -0.18 -1.71 -0.25 0.00 -0.53 0.00 0.00 54.58 51.91 3hu1 n ASN 348 Cb 0.60 -0.06 -0.08 0.00 -2.08 0.00 0.00 39.78 38.16 3hu1 n ASN 348 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3hu1 n ARG 349 N 0.86 0.66 0.26 -3.83 1.85 -1.26 -4.75 116.66 110.46 3hu1 n ARG 349 Ca 0.10 -3.33 0.10 0.00 -1.00 0.00 0.00 57.85 53.73 3hu1 n ARG 349 Cb 0.40 -1.47 0.70 0.00 -1.05 0.00 0.00 32.46 31.05 3hu1 n ARG 349 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3hu1 h PRO 350 N 4.64 0.00 0.00 2.89 0.13 -1.94 -2.16 132.00 135.55 3hu1 h PRO 350 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3hu1 h PRO 350 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3hu1 h PRO 350 CO 0.46 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 3hu1 n ASN 351 N -4.08 0.00 -0.62 1.44 3.02 -1.26 -2.66 115.26 111.10 3hu1 n ASN 351 Ca -0.03 -0.65 0.08 0.00 -0.03 0.00 0.00 54.58 53.95 3hu1 n ASN 351 Cb 0.16 -0.05 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 3hu1 n ASN 351 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hu1 n SER 352 N -1.05 2.29 -4.78 6.41 3.41 -0.81 -4.96 113.62 114.12 3hu1 n SER 352 Ca 0.17 -1.64 -0.39 0.00 -0.26 0.00 0.00 58.87 56.75 3hu1 n SER 352 Cb 0.10 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 3hu1 n SER 352 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hu1 s ILE 353 N -1.31 4.49 -0.08 -1.33 1.01 -1.09 -1.87 121.20 121.02 3hu1 s ILE 353 Ca 0.18 1.56 -0.38 0.00 0.00 0.00 0.00 60.65 62.01 3hu1 s ILE 353 Cb 0.13 -4.07 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 3hu1 s ILE 353 CO 0.20 0.52 1.56 -0.67 0.00 0.00 0.00 174.94 176.55 3hu1 n ASP 354 N 1.70 2.14 0.28 3.58 -0.08 -1.08 -4.65 116.55 118.44 3hu1 n ASP 354 Ca -0.07 1.09 0.14 0.00 -1.51 0.00 0.00 54.79 54.44 3hu1 n ASP 354 Cb 0.49 -1.19 0.85 0.00 2.34 0.00 0.00 41.12 43.61 3hu1 n ASP 354 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hu1 h PRO 355 N 6.06 0.00 -0.52 -0.67 0.11 -1.94 -2.32 132.00 132.72 3hu1 h PRO 355 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 3hu1 h PRO 355 Cb 1.32 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 3hu1 h PRO 355 CO 0.87 0.00 0.36 0.00 -0.21 0.00 0.00 178.00 179.02 3hu1 h ALA 356 N 1.99 2.22 0.00 -0.75 0.00 -2.00 0.89 119.26 121.61 3hu1 h ALA 356 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hu1 h ALA 356 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hu1 h ALA 356 CO -0.00 -0.35 -0.03 1.28 0.00 0.00 0.00 179.25 180.15 3hu1 n LEU 357 N -4.44 0.82 -1.15 0.00 4.77 -0.87 -2.93 117.00 113.19 3hu1 n LEU 357 Ca 0.09 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.72 3hu1 n LEU 357 Cb 0.45 -0.31 0.27 0.00 -2.33 0.00 0.00 43.42 41.50 3hu1 n LEU 357 CO 0.35 -0.18 0.74 -1.14 -1.33 0.00 0.00 177.39 175.83 3hu1 n ARG 358 N -2.26 3.17 -1.85 3.23 0.63 0.30 -0.79 116.66 119.09 3hu1 n ARG 358 Ca 0.05 -2.58 -0.29 0.00 -0.92 0.00 0.00 57.85 54.11 3hu1 n ARG 358 Cb 0.43 -1.63 0.10 0.00 0.45 0.00 0.00 32.46 31.81 3hu1 n ARG 358 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hu1 s ARG 359 N -1.56 1.87 0.19 -0.14 3.00 -1.15 -4.50 118.95 116.66 3hu1 s ARG 359 Ca 0.41 0.15 -0.33 0.00 0.00 0.00 0.00 55.73 55.96 3hu1 s ARG 359 Cb 0.25 -1.94 -0.13 0.00 0.00 0.00 0.00 34.95 33.14 3hu1 s ARG 359 CO 0.21 -1.67 1.63 0.34 0.00 0.00 0.00 175.30 175.82 3hu1 n PHE 360 N -3.37 2.50 0.00 -0.53 7.35 -1.26 -2.32 117.46 119.83 3hu1 n PHE 360 Ca 0.08 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.94 3hu1 n PHE 360 Cb 0.61 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.84 3hu1 n PHE 360 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hu1 n GLY 361 N 3.55 1.86 0.00 7.13 0.00 -1.26 -4.97 105.19 111.50 3hu1 n GLY 361 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hu1 n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hu1 n ARG 362 N -2.00 0.00 -2.36 1.61 1.74 -0.98 -4.77 116.66 109.90 3hu1 n ARG 362 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3hu1 n ARG 362 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3hu1 n ARG 362 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hu1 n PHE 363 N 0.00 3.81 0.60 -1.55 3.72 0.03 -2.79 117.46 121.28 3hu1 n PHE 363 Ca 0.00 -2.97 0.10 0.00 -0.05 0.00 0.00 57.45 54.53 3hu1 n PHE 363 Cb 0.00 -2.26 0.27 0.00 -0.94 0.00 0.00 39.48 36.55 3hu1 n PHE 363 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3hu1 n ASP 364 N 5.52 2.67 -4.12 4.37 3.85 -1.09 -4.40 116.55 123.35 3hu1 n ASP 364 Ca 0.44 -1.91 -0.20 0.00 -0.71 0.00 0.00 54.79 52.41 3hu1 n ASP 364 Cb 0.40 -0.24 -0.14 0.00 -1.35 0.00 0.00 41.12 39.79 3hu1 n ASP 364 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3hu1 s ARG 365 N -1.52 0.93 -0.01 0.11 1.81 -1.03 -4.99 118.95 114.25 3hu1 s ARG 365 Ca 0.35 -0.68 0.03 0.00 -1.72 0.00 0.00 55.73 53.71 3hu1 s ARG 365 Cb 0.19 -0.92 -0.00 0.00 -0.45 0.00 0.00 34.95 33.77 3hu1 s ARG 365 CO 0.27 0.23 -0.08 -1.21 -0.68 0.00 0.00 175.30 173.83 3hu1 s GLU 366 N -0.95 0.74 -0.16 3.54 2.02 -1.26 -1.18 118.70 121.45 3hu1 s GLU 366 Ca 0.02 -0.30 0.01 0.00 0.02 0.00 0.00 54.97 54.72 3hu1 s GLU 366 Cb -0.07 -0.72 0.02 0.00 0.10 0.00 0.00 34.13 33.46 3hu1 s GLU 366 CO 0.01 0.16 -0.16 0.08 0.02 0.00 0.00 175.26 175.37 3hu1 s VAL 367 N -0.08 1.77 -0.63 2.63 1.01 -0.10 -4.91 120.40 120.08 3hu1 s VAL 367 Ca 0.01 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.97 3hu1 s VAL 367 Cb -0.05 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3hu1 s VAL 367 CO -0.00 0.47 1.01 -0.62 0.00 0.00 0.00 175.10 175.96 3hu1 s ASP 368 N 1.40 6.23 -1.20 3.32 2.15 -1.26 -1.57 116.67 125.74 3hu1 s ASP 368 Ca 0.04 -0.67 -0.17 0.00 0.43 0.00 0.00 52.55 52.18 3hu1 s ASP 368 Cb -0.13 -2.45 0.10 0.00 -0.30 0.00 0.00 42.92 40.14 3hu1 s ASP 368 CO -0.11 -1.44 1.56 -0.63 -0.17 0.00 0.00 175.17 174.38 3hu1 s ILE 369 N 4.31 4.44 0.00 4.11 -1.09 0.40 -4.95 121.20 128.41 3hu1 s ILE 369 Ca 0.27 -1.98 0.00 0.00 -2.23 0.00 0.00 60.65 56.72 3hu1 s ILE 369 Cb -0.14 -5.06 0.00 0.00 -1.58 0.00 0.00 42.46 35.69 3hu1 s ILE 369 CO 0.14 -1.85 0.00 0.61 -1.23 0.00 0.00 174.94 172.62 3hu1 n GLY 370 N 5.18 -0.80 3.73 6.18 0.00 -1.26 -4.20 105.19 114.02 3hu1 n GLY 370 Ca 0.41 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 3hu1 n GLY 370 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hu1 s ILE 371 N -0.45 3.59 0.58 -0.61 1.09 -1.26 -4.90 121.20 119.23 3hu1 s ILE 371 Ca 0.00 1.24 -0.19 0.00 -1.10 0.00 0.00 60.65 60.60 3hu1 s ILE 371 Cb 0.00 -3.79 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 3hu1 s ILE 371 CO 0.00 0.15 1.21 -2.16 -0.10 0.00 0.00 174.94 174.04 3hu1 s PRO 372 N 0.38 3.07 0.76 2.79 0.04 -1.26 -5.06 135.00 135.72 3hu1 s PRO 372 Ca 0.57 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 3hu1 s PRO 372 Cb -0.33 -1.99 0.11 0.00 0.04 0.00 0.00 34.50 32.33 3hu1 s PRO 372 CO 0.34 -1.13 1.07 0.16 0.04 0.00 0.00 177.00 177.48 3hu1 s ASP 373 N -1.55 4.34 0.28 6.66 -4.77 -1.26 -4.82 116.67 115.54 3hu1 s ASP 373 Ca 0.76 0.19 0.02 0.00 -3.30 0.00 0.00 52.55 50.21 3hu1 s ASP 373 Cb -0.30 -0.64 0.66 0.00 -1.09 0.00 0.00 42.92 41.55 3hu1 s ASP 373 CO 0.33 -1.90 1.70 0.00 0.70 0.00 0.00 175.17 176.01 3hu1 h ALA 374 N -0.79 1.34 -0.32 2.11 0.00 -1.95 -0.38 119.26 119.28 3hu1 h ALA 374 Ca -0.42 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hu1 h ALA 374 Cb 1.28 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3hu1 h ALA 374 CO 0.50 -0.30 0.13 1.15 0.00 0.00 0.00 179.25 180.72 3hu1 h THR 375 N 0.42 1.18 -0.64 0.00 2.02 -1.94 -2.69 112.91 111.26 3hu1 h THR 375 Ca 0.53 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hu1 h THR 375 Cb 0.95 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 3hu1 h THR 375 CO -0.50 0.19 0.42 1.23 0.37 0.00 0.00 175.52 177.23 3hu1 h GLY 376 N 0.37 0.91 0.70 2.16 0.00 -1.48 -2.81 103.07 102.91 3hu1 h GLY 376 Ca 0.11 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.15 3hu1 h GLY 376 CO -0.01 0.34 0.45 3.21 0.00 0.00 0.00 176.54 180.53 3hu1 h ARG 377 N 0.87 0.79 -0.71 4.80 3.08 -0.95 -1.38 114.38 120.88 3hu1 h ARG 377 Ca 0.23 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.28 3hu1 h ARG 377 Cb -0.08 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.73 3hu1 h ARG 377 CO -0.05 0.53 0.42 1.25 -1.07 0.00 0.00 179.97 181.05 3hu1 h LEU 378 N 0.82 0.66 -0.30 3.04 5.85 -1.27 -0.98 115.31 123.13 3hu1 h LEU 378 Ca 0.34 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3hu1 h LEU 378 Cb 0.18 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3hu1 h LEU 378 CO -0.18 0.44 0.18 -0.33 -0.34 0.00 0.00 178.44 178.21 3hu1 h GLU 379 N 0.80 0.35 -0.56 1.25 5.08 -1.08 -1.64 114.58 118.78 3hu1 h GLU 379 Ca 0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3hu1 h GLU 379 Cb 0.12 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3hu1 h GLU 379 CO -0.15 0.23 0.33 0.82 -1.00 0.00 0.00 179.01 179.24 3hu1 h ILE 380 N 0.36 1.18 -0.39 3.13 2.04 -0.82 -0.32 117.51 122.68 3hu1 h ILE 380 Ca 0.12 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 3hu1 h ILE 380 Cb -0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3hu1 h ILE 380 CO -0.05 0.19 -0.06 -0.07 0.00 0.00 0.00 178.15 178.15 3hu1 h LEU 381 N 0.76 0.63 -0.62 1.44 3.38 -1.05 -0.11 115.31 119.74 3hu1 h LEU 381 Ca 0.20 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3hu1 h LEU 381 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3hu1 h LEU 381 CO -0.04 0.74 -0.15 1.56 0.09 0.00 0.00 178.44 180.65 3hu1 h GLN 382 N 0.61 0.93 -0.45 1.13 4.20 -0.83 -1.85 115.11 118.86 3hu1 h GLN 382 Ca 0.12 -0.35 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 3hu1 h GLN 382 Cb 0.47 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3hu1 h GLN 382 CO 0.02 1.01 -0.07 0.82 -0.67 0.00 0.00 178.83 179.95 3hu1 h ILE 383 N 0.82 1.27 -0.19 2.54 2.04 -0.57 -3.13 117.51 120.30 3hu1 h ILE 383 Ca 0.12 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.68 3hu1 h ILE 383 Cb 0.69 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3hu1 h ILE 383 CO 0.05 0.40 -0.48 0.45 0.00 0.00 0.00 178.15 178.57 3hu1 h HIS 384 N 0.68 0.59 -0.22 1.37 3.86 -0.97 -3.27 115.15 117.19 3hu1 h HIS 384 Ca 0.12 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3hu1 h HIS 384 Cb 0.59 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3hu1 h HIS 384 CO 0.05 0.87 0.00 0.25 0.86 0.00 0.00 177.93 179.96 3hu1 n THR 385 N -3.99 0.28 0.32 2.45 -2.24 -0.70 -4.34 114.28 106.05 3hu1 n THR 385 Ca -0.02 -0.46 0.20 0.00 -2.27 0.00 0.00 64.05 61.50 3hu1 n THR 385 Cb 0.55 0.59 1.09 0.00 -2.10 0.00 0.00 70.33 70.46 3hu1 n THR 385 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3hu1 h LYS 386 N 2.94 0.00 -0.00 -0.78 2.10 -1.60 0.96 116.57 120.18 3hu1 h LYS 386 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hu1 h LYS 386 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3hu1 h LYS 386 CO 0.00 0.00 -0.36 0.09 -2.00 0.00 0.00 179.45 177.18 3hu1 n ASN 387 N -3.31 1.00 -4.81 7.07 3.02 -1.26 -5.00 115.26 111.97 3hu1 n ASN 387 Ca -0.03 -1.00 -0.34 0.00 -0.03 0.00 0.00 54.58 53.18 3hu1 n ASN 387 Cb 0.12 0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 39.91 3hu1 n ASN 387 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hu1 s MET 388 N -1.73 4.32 -0.44 3.52 -1.94 0.33 -5.04 119.30 118.31 3hu1 s MET 388 Ca 0.07 1.11 -0.22 0.00 -1.71 0.00 0.00 55.69 54.95 3hu1 s MET 388 Cb 0.09 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.50 3hu1 s MET 388 CO 0.36 0.12 0.71 0.15 -0.01 0.00 0.00 175.02 176.35 3hu1 s LYS 389 N -2.72 3.34 0.23 2.03 -0.14 -1.26 -5.01 119.74 116.21 3hu1 s LYS 389 Ca 0.56 -0.24 0.07 0.00 -1.36 0.00 0.00 55.97 55.00 3hu1 s LYS 389 Cb -0.13 -3.95 -0.04 0.00 -1.68 0.00 0.00 37.83 32.04 3hu1 s LYS 389 CO 0.17 -1.07 0.12 -0.51 -0.76 0.00 0.00 175.35 173.31 3hu1 s LEU 390 N 3.06 3.61 0.33 3.17 1.43 -1.26 -0.06 118.68 128.96 3hu1 s LEU 390 Ca 0.26 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3hu1 s LEU 390 Cb -0.13 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3hu1 s LEU 390 CO 0.21 0.00 0.51 0.00 0.23 0.00 0.00 176.35 177.30 3hu1 s ALA 391 N -2.08 3.82 0.25 4.21 0.00 -0.72 -4.79 121.76 122.44 3hu1 s ALA 391 Ca 0.32 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 3hu1 s ALA 391 Cb -0.08 -1.98 0.48 0.00 0.00 0.00 0.00 23.12 21.54 3hu1 s ALA 391 CO 0.23 -0.01 1.64 -0.44 0.00 0.00 0.00 175.76 177.17 3hu1 h ASP 392 N 0.82 -0.30 0.90 0.00 5.19 -2.01 -2.91 116.42 118.11 3hu1 h ASP 392 Ca -0.49 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3hu1 h ASP 392 Cb 1.23 0.33 0.00 0.00 0.18 0.00 0.00 39.33 41.07 3hu1 h ASP 392 CO 0.60 -0.17 0.00 -2.24 -3.12 0.00 0.00 179.24 174.30 3hu1 h ASP 393 N 0.12 0.00 -2.45 6.45 2.03 -1.96 -3.43 116.42 117.19 3hu1 h ASP 393 Ca 0.43 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 56.15 3hu1 h ASP 393 Cb 0.78 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.26 3hu1 h ASP 393 CO -0.67 0.00 1.33 -0.69 -1.03 0.00 0.00 179.24 178.19 3hu1 s VAL 394 N -3.37 3.33 -0.40 4.15 1.01 -1.10 -4.68 120.40 119.33 3hu1 s VAL 394 Ca 0.04 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 3hu1 s VAL 394 Cb 0.09 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 33.13 3hu1 s VAL 394 CO 0.45 -0.25 0.21 -0.62 0.00 0.00 0.00 175.10 174.90 3hu1 s ASP 395 N 6.57 5.52 0.26 3.32 2.15 -1.26 -4.96 116.67 128.28 3hu1 s ASP 395 Ca 0.86 -1.45 0.03 0.00 0.43 0.00 0.00 52.55 52.42 3hu1 s ASP 395 Cb -0.27 -1.94 0.34 0.00 -0.30 0.00 0.00 42.92 40.75 3hu1 s ASP 395 CO 0.34 -0.48 1.65 -0.07 -0.17 0.00 0.00 175.17 176.44 3hu1 h LEU 396 N 8.33 0.40 -0.85 -1.34 3.38 -1.99 -2.68 115.31 120.56 3hu1 h LEU 396 Ca -0.22 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 57.66 3hu1 h LEU 396 Cb 1.08 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 3hu1 h LEU 396 CO 0.71 0.77 0.51 -0.33 0.09 0.00 0.00 178.44 180.19 3hu1 h GLU 397 N 0.32 0.86 -0.09 1.13 5.08 -1.95 0.33 114.58 120.25 3hu1 h GLU 397 Ca 0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hu1 h GLU 397 Cb 0.86 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3hu1 h GLU 397 CO 0.07 0.57 0.05 0.37 -1.00 0.00 0.00 179.01 179.07 3hu1 h GLN 398 N 0.88 0.12 -0.63 2.33 5.75 -1.94 -2.18 115.11 119.44 3hu1 h GLN 398 Ca 0.39 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.83 3hu1 h GLN 398 Cb 0.28 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 3hu1 h GLN 398 CO -0.21 0.12 0.20 0.28 -2.65 0.00 0.00 178.83 176.57 3hu1 h VAL 399 N 0.08 1.24 -0.76 2.39 2.07 -1.10 -2.02 116.25 118.14 3hu1 h VAL 399 Ca 0.03 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3hu1 h VAL 399 Cb 0.04 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3hu1 h VAL 399 CO -0.01 0.31 0.49 0.00 0.02 0.00 0.00 177.57 178.39 3hu1 h ALA 400 N 1.28 0.99 -0.09 1.67 0.00 -0.22 -2.76 119.26 120.13 3hu1 h ALA 400 Ca 0.21 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3hu1 h ALA 400 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hu1 h ALA 400 CO -0.01 0.33 -0.68 -0.91 0.00 0.00 0.00 179.25 177.98 3hu1 h ASN 401 N 0.99 0.46 0.31 0.00 2.35 -0.92 -2.98 115.58 115.78 3hu1 h ASN 401 Ca 0.29 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3hu1 h ASN 401 Cb -0.04 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.19 3hu1 h ASN 401 CO -0.09 1.01 0.00 -0.62 -1.65 0.00 0.00 177.43 176.08 3hu1 n GLU 402 N -3.86 0.63 -2.77 0.81 1.02 -0.80 -4.28 120.64 111.38 3hu1 n GLU 402 Ca -0.04 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.75 3hu1 n GLU 402 Cb 0.68 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.59 3hu1 n GLU 402 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hu1 n THR 403 N -1.16 5.01 -0.17 2.62 -2.24 -1.06 -4.92 114.28 112.35 3hu1 n THR 403 Ca 0.17 -5.84 -0.04 0.00 -2.27 0.00 0.00 64.05 56.07 3hu1 n THR 403 Cb 0.17 -1.54 0.06 0.00 -2.10 0.00 0.00 70.33 66.92 3hu1 n THR 403 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3hu1 h HIS 404 N 3.86 0.49 -0.02 4.78 2.76 -1.81 -2.85 115.15 122.35 3hu1 h HIS 404 Ca 0.38 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 3hu1 h HIS 404 Cb 0.40 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3hu1 h HIS 404 CO 1.15 0.24 -0.03 0.41 -1.30 0.00 0.00 177.93 178.39 3hu1 n GLY 405 N -1.25 0.54 3.75 5.26 0.00 -1.26 -4.99 105.19 107.24 3hu1 n GLY 405 Ca 0.05 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 3hu1 n GLY 405 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hu1 s HIS 406 N -2.04 3.68 0.46 1.61 4.02 -1.08 -4.51 115.29 117.43 3hu1 s HIS 406 Ca 0.31 1.73 0.07 0.00 1.02 0.00 0.00 55.06 58.20 3hu1 s HIS 406 Cb 0.20 -3.21 0.01 0.00 -1.02 0.00 0.00 32.58 28.56 3hu1 s HIS 406 CO 0.33 -0.32 0.44 0.14 1.02 0.00 0.00 174.74 176.35 3hu1 s VAL 407 N -0.99 2.40 0.25 -0.90 -7.23 -1.26 -4.48 120.40 108.19 3hu1 s VAL 407 Ca 0.45 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 3hu1 s VAL 407 Cb -0.30 -2.72 0.23 0.00 0.56 0.00 0.00 36.38 34.15 3hu1 s VAL 407 CO 0.38 0.00 1.71 1.23 -0.31 0.00 0.00 175.10 178.10 3hu1 h GLY 408 N 0.84 1.11 0.96 2.32 0.00 -1.82 -1.39 103.07 105.10 3hu1 h GLY 408 Ca -0.39 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 46.87 3hu1 h GLY 408 CO 0.55 -0.16 0.66 0.00 0.00 0.00 0.00 176.54 177.59 3hu1 h ALA 409 N 1.59 1.31 -0.32 3.60 0.00 -1.60 0.99 119.26 124.83 3hu1 h ALA 409 Ca 0.42 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 3hu1 h ALA 409 Cb 0.70 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hu1 h ALA 409 CO -0.46 0.62 -0.17 -0.44 0.00 0.00 0.00 179.25 178.80 3hu1 h ASP 410 N 1.33 0.57 -0.13 0.00 3.32 -1.56 -2.37 116.42 117.58 3hu1 h ASP 410 Ca 0.38 -0.17 -0.22 0.00 0.02 0.00 0.00 57.03 57.04 3hu1 h ASP 410 Cb -0.09 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.31 3hu1 h ASP 410 CO -0.10 0.76 -0.78 -0.07 -1.72 0.00 0.00 179.24 177.34 3hu1 h LEU 411 N 0.52 0.92 -0.53 1.55 3.38 -0.63 -0.88 115.31 119.64 3hu1 h LEU 411 Ca 0.09 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.49 3hu1 h LEU 411 Cb 0.59 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3hu1 h LEU 411 CO 0.04 1.40 0.30 0.00 0.09 0.00 0.00 178.44 180.27 3hu1 h ALA 412 N 0.58 0.68 -0.55 1.53 0.00 -0.76 -2.11 119.26 118.64 3hu1 h ALA 412 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3hu1 h ALA 412 Cb 1.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3hu1 h ALA 412 CO 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.41 3hu1 h ALA 413 N 1.25 0.74 -0.84 0.00 0.00 -1.41 -1.79 119.26 117.21 3hu1 h ALA 413 Ca 0.22 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hu1 h ALA 413 Cb 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 3hu1 h ALA 413 CO -0.12 0.55 0.50 1.25 0.00 0.00 0.00 179.25 181.43 3hu1 h LEU 414 N 0.84 0.76 -0.91 0.00 5.85 -0.99 -0.85 115.31 120.01 3hu1 h LEU 414 Ca 0.16 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3hu1 h LEU 414 Cb 0.52 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hu1 h LEU 414 CO 0.03 0.46 -0.40 0.00 -0.34 0.00 0.00 178.44 178.19 3hu1 h SER 416 N 0.25 0.81 0.69 0.00 0.87 -0.66 -2.39 113.55 113.11 3hu1 h SER 416 Ca 0.02 -0.46 -0.15 0.00 -1.23 0.00 0.00 61.79 59.98 3hu1 h SER 416 Cb 0.82 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 3hu1 h SER 416 CO 0.06 1.10 -0.70 -0.33 -0.53 0.00 0.00 176.83 176.43 3hu1 h GLU 417 N 0.52 0.01 -0.59 2.24 4.39 -0.93 -0.92 114.58 119.30 3hu1 h GLU 417 Ca 0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3hu1 h GLU 417 Cb 0.86 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 3hu1 h GLU 417 CO 0.07 0.71 0.23 0.00 -1.16 0.00 0.00 179.01 178.86 3hu1 h ALA 418 N 1.29 0.76 -0.19 3.43 0.00 -1.16 -2.38 119.26 121.01 3hu1 h ALA 418 Ca -0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3hu1 h ALA 418 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hu1 h ALA 418 CO 0.09 0.38 -0.44 0.00 0.00 0.00 0.00 179.25 179.29 3hu1 h ALA 419 N 1.08 0.90 -0.29 0.00 0.00 -0.94 -2.61 119.26 117.40 3hu1 h ALA 419 Ca 0.19 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3hu1 h ALA 419 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hu1 h ALA 419 CO -0.01 0.64 -0.28 1.25 0.00 0.00 0.00 179.25 180.84 3hu1 h LEU 420 N 0.37 0.61 -0.71 0.00 6.46 -1.17 -2.20 115.31 118.67 3hu1 h LEU 420 Ca 0.03 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 3hu1 h LEU 420 Cb 0.92 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 3hu1 h LEU 420 CO 0.08 0.87 0.31 -0.61 -0.62 0.00 0.00 178.44 178.47 3hu1 h GLN 421 N 0.51 1.04 -0.15 1.25 5.75 -1.13 0.42 115.11 122.81 3hu1 h GLN 421 Ca 0.07 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 3hu1 h GLN 421 Cb 0.75 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 3hu1 h GLN 421 CO 0.06 0.84 -0.24 0.00 -2.65 0.00 0.00 178.83 176.84 3hu1 h ALA 422 N 1.15 1.32 -0.36 3.38 0.00 -1.20 -0.54 119.26 123.01 3hu1 h ALA 422 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3hu1 h ALA 422 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hu1 h ALA 422 CO -0.03 0.46 -0.04 0.82 0.00 0.00 0.00 179.25 180.47 3hu1 h ILE 423 N 0.24 1.27 -0.67 0.00 2.04 -0.96 -2.98 117.51 116.45 3hu1 h ILE 423 Ca 0.04 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 64.86 3hu1 h ILE 423 Cb 0.56 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3hu1 h ILE 423 CO 0.04 0.35 0.44 0.03 0.00 0.00 0.00 178.15 179.01 3hu1 h ARG 424 N 0.46 0.83 0.00 2.37 3.08 -0.06 -1.17 114.38 119.90 3hu1 h ARG 424 Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3hu1 h ARG 424 Cb 0.52 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3hu1 h ARG 424 CO 0.03 0.55 -0.07 0.87 -1.07 0.00 0.00 179.97 180.28 3hu1 h LYS 425 N 0.86 0.00 -0.61 0.04 1.57 -1.05 -2.64 116.57 114.74 3hu1 h LYS 425 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3hu1 h LYS 425 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3hu1 h LYS 425 CO -0.06 0.07 0.00 1.17 -0.57 0.00 0.00 179.45 180.05 3hu1 n LYS 426 N -3.26 2.75 -0.14 3.15 3.00 -0.48 -4.75 118.16 118.42 3hu1 n LYS 426 Ca -0.01 -2.47 -0.06 0.00 -0.00 0.00 0.00 58.31 55.77 3hu1 n LYS 426 Cb 0.28 -1.48 0.02 0.00 0.00 0.00 0.00 35.03 33.85 3hu1 n LYS 426 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 3hu1 h MET 427 N 3.63 0.48 0.00 1.64 2.86 -1.07 -2.75 114.93 119.74 3hu1 h MET 427 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3hu1 h MET 427 Cb 0.91 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 3hu1 h MET 427 CO 0.00 0.32 -0.01 0.38 1.06 0.00 0.00 176.91 178.66 3hu1 h ASP 428 N 0.50 0.00 0.11 1.22 2.03 -1.85 -1.23 116.42 117.20 3hu1 h ASP 428 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3hu1 h ASP 428 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 3hu1 h ASP 428 CO -0.09 0.01 -0.11 0.18 -1.03 0.00 0.00 179.24 178.20 3hu1 n LEU 429 N -3.15 1.20 -4.29 0.15 4.32 -1.04 -4.86 117.00 109.33 3hu1 n LEU 429 Ca -0.02 -0.36 -0.28 0.00 -0.02 0.00 0.00 56.01 55.33 3hu1 n LEU 429 Cb 0.17 -0.06 -0.15 0.00 -1.62 0.00 0.00 43.42 41.76 3hu1 n LEU 429 CO 0.24 0.21 -0.55 -0.63 -1.22 0.00 0.00 177.39 175.44 3hu1 s ILE 430 N -2.23 1.90 0.03 -0.08 1.01 -0.46 -4.82 121.20 116.54 3hu1 s ILE 430 Ca 0.32 -1.20 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3hu1 s ILE 430 Cb 0.20 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3hu1 s ILE 430 CO 0.42 0.37 -0.06 -0.62 0.00 0.00 0.00 174.94 175.05 3hu1 s ASP 431 N -0.99 0.65 0.25 3.58 2.15 -1.26 -4.89 116.67 116.17 3hu1 s ASP 431 Ca 0.10 -0.46 0.23 0.00 0.43 0.00 0.00 52.55 52.85 3hu1 s ASP 431 Cb -0.09 0.04 0.97 0.00 -0.30 0.00 0.00 42.92 43.54 3hu1 s ASP 431 CO 0.01 -0.18 1.70 -0.11 -0.17 0.00 0.00 175.17 176.41 3hu1 n LEU 432 N 1.75 0.63 -0.05 -1.34 7.94 -1.26 -3.94 117.00 120.73 3hu1 n LEU 432 Ca -0.21 0.66 -0.20 0.00 -1.11 0.00 0.00 56.01 55.15 3hu1 n LEU 432 Cb 0.55 -0.59 -0.13 0.00 0.53 0.00 0.00 43.42 43.79 3hu1 n LEU 432 CO 0.21 -0.57 -1.03 -0.62 -1.11 0.00 0.00 177.39 174.28 3hu1 n GLU 433 N -2.21 0.72 -1.73 1.96 -0.58 -1.26 -4.93 120.64 112.60 3hu1 n GLU 433 Ca 0.02 0.22 -0.39 0.00 -0.42 0.00 0.00 57.16 56.59 3hu1 n GLU 433 Cb 0.22 -1.63 0.04 0.00 -0.57 0.00 0.00 31.44 29.49 3hu1 n GLU 433 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hu1 n ASP 434 N -3.40 2.67 0.02 1.62 5.75 -1.25 -4.97 116.55 116.98 3hu1 n ASP 434 Ca -0.38 1.00 -0.12 0.00 -0.01 0.00 0.00 54.79 55.29 3hu1 n ASP 434 Cb 1.02 -1.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.48 3hu1 n ASP 434 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3hu1 h GLU 435 N 1.57 0.07 -6.09 0.11 4.81 -1.92 -3.45 114.58 109.68 3hu1 h GLU 435 Ca -0.50 -0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.17 3hu1 h GLU 435 Cb 1.30 -0.01 -0.20 0.00 0.63 0.00 0.00 28.75 30.47 3hu1 h GLU 435 CO 0.58 0.09 -0.81 0.95 -0.73 0.00 0.00 179.01 179.08 3hu1 s THR 436 N -6.01 1.78 0.08 0.32 -4.23 -1.26 -5.14 115.64 101.18 3hu1 s THR 436 Ca -0.13 -1.71 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 3hu1 s THR 436 Cb 0.06 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.14 3hu1 s THR 436 CO 0.67 -0.16 0.66 -0.63 -0.54 0.00 0.00 174.62 174.61 3hu1 s ILE 437 N -1.53 4.66 0.26 2.99 -1.09 -1.26 -5.03 121.20 120.19 3hu1 s ILE 437 Ca 0.11 1.41 -0.30 0.00 -2.23 0.00 0.00 60.65 59.64 3hu1 s ILE 437 Cb -0.08 -4.00 -0.14 0.00 -1.58 0.00 0.00 42.46 36.66 3hu1 s ILE 437 CO 0.05 0.50 1.24 -0.67 -1.23 0.00 0.00 174.94 174.83 3hu1 n ASP 438 N 1.99 2.12 -0.11 3.58 -0.08 -1.26 -4.94 116.55 117.86 3hu1 n ASP 438 Ca -0.07 1.16 -0.09 0.00 -1.51 0.00 0.00 54.79 54.28 3hu1 n ASP 438 Cb 0.50 -1.36 -0.02 0.00 2.34 0.00 0.00 41.12 42.58 3hu1 n ASP 438 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hu1 h ALA 439 N 3.19 0.43 -0.45 -1.67 0.00 -2.00 -2.82 119.26 115.94 3hu1 h ALA 439 Ca -0.43 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3hu1 h ALA 439 Cb 1.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3hu1 h ALA 439 CO 0.68 -0.02 0.20 1.49 0.00 0.00 0.00 179.25 181.61 3hu1 h GLU 440 N 0.40 0.40 -0.99 0.00 4.57 -2.01 -2.67 114.58 114.29 3hu1 h GLU 440 Ca 0.11 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3hu1 h GLU 440 Cb 0.11 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 3hu1 h GLU 440 CO -0.02 0.26 0.64 0.28 -1.18 0.00 0.00 179.01 179.00 3hu1 h VAL 441 N 0.41 1.10 -0.82 0.32 2.07 -1.92 -2.07 116.25 115.34 3hu1 h VAL 441 Ca 0.20 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3hu1 h VAL 441 Cb 0.14 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.69 3hu1 h VAL 441 CO -0.16 0.21 0.40 -0.03 0.02 0.00 0.00 177.57 178.01 3hu1 h MET 442 N 1.18 1.17 0.08 1.57 1.85 -1.23 -3.16 114.93 116.39 3hu1 h MET 442 Ca 0.42 -0.17 -0.27 0.00 -0.61 0.00 0.00 59.70 59.08 3hu1 h MET 442 Cb 0.14 -0.21 0.02 0.00 0.43 0.00 0.00 31.60 31.97 3hu1 h MET 442 CO -0.17 0.90 -1.14 -0.91 -0.40 0.00 0.00 176.91 175.19 3hu1 h ASN 443 N 1.16 0.68 0.46 1.39 2.35 -1.20 -3.21 115.58 117.21 3hu1 h ASN 443 Ca 0.28 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 3hu1 h ASN 443 Cb 0.10 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.26 3hu1 h ASN 443 CO -0.04 1.44 0.00 -1.54 -1.65 0.00 0.00 177.43 175.64 3hu1 n SER 444 N -3.73 0.28 -4.58 5.81 3.41 -0.83 -4.73 113.62 109.25 3hu1 n SER 444 Ca -0.10 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.68 3hu1 n SER 444 Cb 0.94 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3hu1 n SER 444 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hu1 s LEU 445 N -3.65 3.42 0.01 1.04 1.43 -1.20 -4.95 118.68 114.78 3hu1 s LEU 445 Ca 0.04 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 3hu1 s LEU 445 Cb 0.08 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 3hu1 s LEU 445 CO 0.26 -2.13 -0.17 0.00 0.23 0.00 0.00 176.35 174.55 3hu1 s ALA 446 N 8.63 1.39 -0.24 4.21 0.00 -1.26 -4.78 121.76 129.72 3hu1 s ALA 446 Ca 0.83 -0.81 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 3hu1 s ALA 446 Cb -0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3hu1 s ALA 446 CO 0.29 0.32 0.68 0.08 0.00 0.00 0.00 175.76 177.13 3hu1 s VAL 447 N -0.58 4.96 0.43 0.00 1.01 0.92 -4.88 120.40 122.25 3hu1 s VAL 447 Ca 0.05 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.32 3hu1 s VAL 447 Cb -0.07 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3hu1 s VAL 447 CO 0.00 0.03 0.61 0.42 0.00 0.00 0.00 175.10 176.16 3hu1 s THR 448 N 2.43 3.59 0.20 3.92 -4.23 -1.26 -1.76 115.64 118.53 3hu1 s THR 448 Ca 0.29 -0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.92 3hu1 s THR 448 Cb -0.16 -3.28 0.13 0.00 1.34 0.00 0.00 72.50 70.54 3hu1 s THR 448 CO 0.09 -0.16 1.86 -0.03 -0.54 0.00 0.00 174.62 175.84 3hu1 h MET 449 N 0.53 0.88 -0.77 3.99 4.05 -1.92 -2.79 114.93 118.89 3hu1 h MET 449 Ca -0.44 -0.05 0.15 0.00 -0.28 0.00 0.00 59.70 59.08 3hu1 h MET 449 Cb 1.27 -0.20 -0.10 0.00 -0.80 0.00 0.00 31.60 31.77 3hu1 h MET 449 CO 0.53 0.58 0.28 0.22 0.23 0.00 0.00 176.91 178.75 3hu1 h ASP 450 N 0.90 0.23 -0.64 1.39 3.58 -1.95 -0.65 116.42 119.28 3hu1 h ASP 450 Ca 0.26 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.90 3hu1 h ASP 450 Cb -0.06 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.04 3hu1 h ASP 450 CO -0.07 0.06 0.33 0.44 -2.88 0.00 0.00 179.24 177.12 3hu1 h ASP 451 N 0.40 0.46 -0.67 2.28 3.32 -1.82 -1.20 116.42 119.19 3hu1 h ASP 451 Ca 0.43 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.46 3hu1 h ASP 451 Cb 0.69 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 3hu1 h ASP 451 CO -0.44 0.29 0.19 -0.26 -1.72 0.00 0.00 179.24 177.31 3hu1 h PHE 452 N 0.60 1.11 -0.19 4.55 -1.00 -1.07 0.82 116.94 121.75 3hu1 h PHE 452 Ca 0.30 -0.11 -0.07 0.00 2.81 0.00 0.00 57.97 60.89 3hu1 h PHE 452 Cb 0.24 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 3hu1 h PHE 452 CO -0.10 0.89 -0.18 0.00 -1.61 0.00 0.00 178.31 177.31 3hu1 h ARG 453 N 1.03 0.33 -0.34 1.51 3.08 -0.80 0.33 114.38 119.53 3hu1 h ARG 453 Ca 0.22 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3hu1 h ARG 453 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3hu1 h ARG 453 CO -0.00 0.51 -0.14 2.35 -1.07 0.00 0.00 179.97 181.62 3hu1 h TRP 454 N 0.31 0.79 -0.92 3.04 7.01 -0.49 -1.32 115.95 124.36 3hu1 h TRP 454 Ca 0.06 -0.19 0.02 0.00 2.11 0.00 0.00 58.89 60.89 3hu1 h TRP 454 Cb 0.50 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.33 3hu1 h TRP 454 CO 0.01 0.88 0.61 0.00 -2.79 0.00 0.00 178.44 177.15 3hu1 h ALA 455 N 0.79 1.20 -0.52 2.65 0.00 -0.36 -2.90 119.26 120.12 3hu1 h ALA 455 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3hu1 h ALA 455 Cb 0.66 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hu1 h ALA 455 CO 0.04 0.51 -0.01 -0.07 0.00 0.00 0.00 179.25 179.72 3hu1 h LEU 456 N 1.20 0.86 -1.89 0.00 3.38 -0.12 -2.62 115.31 116.12 3hu1 h LEU 456 Ca 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hu1 h LEU 456 Cb -0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3hu1 h LEU 456 CO -0.10 0.93 -0.09 0.77 0.09 0.00 0.00 178.44 180.04 3hu1 h SER 457 N 0.82 0.00 0.40 -0.43 4.64 -1.04 -2.86 113.55 115.08 3hu1 h SER 457 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3hu1 h SER 457 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hu1 h SER 457 CO 0.03 0.09 -1.17 0.00 -0.87 0.00 0.00 176.83 174.91 3hu1 n GLN 458 N -3.41 0.36 -0.95 4.77 1.13 -1.02 -5.04 117.38 113.23 3hu1 n GLN 458 Ca -0.01 -0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.74 3hu1 n GLN 458 Cb 0.25 -1.60 0.20 0.00 0.11 0.00 0.00 30.24 29.19 3hu1 n GLN 458 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3hu1 s SER 459 N -4.10 2.18 -0.13 1.08 0.15 -1.04 -5.08 113.70 106.76 3hu1 s SER 459 Ca 0.02 1.38 -0.11 0.00 0.70 0.00 0.00 55.95 57.94 3hu1 s SER 459 Cb 0.14 -2.08 0.04 0.00 -1.71 0.00 0.00 66.02 62.41 3hu1 s SER 459 CO 0.82 -3.43 0.34 0.21 1.20 0.00 0.00 173.24 172.37 3hu1 s ASN 460 N -3.11 -0.36 0.57 5.45 3.84 -1.26 -5.09 114.94 114.99 3hu1 s ASN 460 Ca 0.66 0.69 -0.09 0.00 0.21 0.00 0.00 52.86 54.33 3hu1 s ASN 460 Cb -0.21 0.67 -0.04 0.00 -0.55 0.00 0.00 41.25 41.12 3hu1 s ASN 460 CO 0.60 -0.13 0.95 -2.16 -2.79 0.00 0.00 177.10 173.57 3hu1 s PRO 461 N 0.44 3.59 0.00 0.43 0.04 -1.26 -4.94 135.00 133.31 3hu1 s PRO 461 Ca -0.02 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3hu1 s PRO 461 Cb -0.04 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3hu1 s PRO 461 CO -0.02 -0.44 0.00 -1.13 0.04 0.00 0.00 177.00 175.45