#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hv4 s ARG 5 N 0.00 4.26 0.90 5.31 3.52 -1.26 -5.00 118.95 126.69 3hv4 s ARG 5 Ca 0.00 2.20 -0.12 0.00 -0.13 0.00 0.00 55.73 57.68 3hv4 s ARG 5 Cb 0.00 -3.29 0.13 0.00 -1.56 0.00 0.00 34.95 30.23 3hv4 s ARG 5 CO 0.00 -0.55 1.13 -1.25 -0.81 0.00 0.00 175.30 173.82 3hv4 s PRO 6 N 1.44 1.22 -0.08 5.12 0.04 -1.26 -5.04 135.00 136.43 3hv4 s PRO 6 Ca 0.68 0.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.01 3hv4 s PRO 6 Cb -0.39 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3hv4 s PRO 6 CO 0.31 -2.16 0.20 0.99 0.04 0.00 0.00 177.00 176.37 3hv4 s THR 7 N -3.23 5.41 0.31 1.26 2.01 -1.26 -5.00 115.64 115.14 3hv4 s THR 7 Ca 0.63 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.98 3hv4 s THR 7 Cb -0.15 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 3hv4 s THR 7 CO 0.54 0.57 0.32 -0.36 -0.69 0.00 0.00 174.62 174.99 3hv4 s PHE 8 N -1.09 3.05 0.42 4.92 0.40 -1.26 -1.16 117.98 123.25 3hv4 s PHE 8 Ca 0.18 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 3hv4 s PHE 8 Cb -0.13 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 3hv4 s PHE 8 CO 0.08 0.23 0.16 1.52 0.70 0.00 0.00 175.22 177.91 3hv4 s TYR 9 N -2.21 1.78 -0.02 0.36 -0.85 -0.43 -4.82 117.35 111.16 3hv4 s TYR 9 Ca 0.39 -1.39 -0.06 0.00 -0.52 0.00 0.00 57.07 55.50 3hv4 s TYR 9 Cb -0.07 -1.10 0.01 0.00 0.38 0.00 0.00 41.96 41.17 3hv4 s TYR 9 CO 0.27 -0.42 0.12 0.50 -1.52 0.00 0.00 175.55 174.51 3hv4 s ARG 10 N -3.62 0.32 -0.17 -3.49 3.52 -1.26 -2.09 118.95 112.16 3hv4 s ARG 10 Ca 0.24 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.40 3hv4 s ARG 10 Cb 0.01 0.14 0.12 0.00 -1.56 0.00 0.00 34.95 33.66 3hv4 s ARG 10 CO 0.16 -0.07 0.96 1.14 -0.81 0.00 0.00 175.30 176.69 3hv4 s GLN 11 N -0.71 0.64 -0.17 5.12 -2.07 -1.17 -5.02 119.66 116.28 3hv4 s GLN 11 Ca -0.08 0.25 -0.15 0.00 -1.82 0.00 0.00 55.36 53.57 3hv4 s GLN 11 Cb -0.05 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 3hv4 s GLN 11 CO 0.01 -0.18 0.34 -2.00 -1.32 0.00 0.00 175.29 172.14 3hv4 s GLU 12 N -0.85 4.24 -0.16 9.60 2.12 -1.26 -1.01 118.70 131.37 3hv4 s GLU 12 Ca -0.02 0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.48 3hv4 s GLU 12 Cb -0.01 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.93 3hv4 s GLU 12 CO 0.01 0.14 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.17 3hv4 s LEU 13 N 0.76 2.02 0.00 2.70 1.43 0.19 -4.92 118.68 120.86 3hv4 s LEU 13 Ca 0.18 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3hv4 s LEU 13 Cb -0.14 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.69 3hv4 s LEU 13 CO 0.06 0.01 0.00 0.59 0.23 0.00 0.00 176.35 177.24 3hv4 n ASN 14 N 4.50 0.00 -0.59 2.29 5.03 -1.26 -0.72 115.26 124.52 3hv4 n ASN 14 Ca -0.20 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.36 3hv4 n ASN 14 Cb 0.50 0.00 0.37 0.00 -1.02 0.00 0.00 39.78 39.63 3hv4 n ASN 14 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3hv4 n LYS 15 N 14.00 1.77 -5.09 3.52 2.85 -1.26 -4.95 118.16 129.00 3hv4 n LYS 15 Ca 0.00 -1.16 -0.29 0.00 -1.05 0.00 0.00 58.31 55.81 3hv4 n LYS 15 Cb 0.00 -1.41 -0.16 0.00 -0.65 0.00 0.00 35.03 32.81 3hv4 n LYS 15 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 3hv4 s THR 16 N -1.79 1.80 -0.15 0.58 -1.32 0.10 -5.11 115.64 109.75 3hv4 s THR 16 Ca 0.33 -0.92 -0.29 0.00 -1.21 0.00 0.00 61.69 59.59 3hv4 s THR 16 Cb 0.18 -1.53 -0.01 0.00 -1.51 0.00 0.00 72.50 69.63 3hv4 s THR 16 CO 0.27 0.50 1.13 -0.63 -2.21 0.00 0.00 174.62 173.68 3hv4 s ILE 17 N -0.07 4.50 -0.45 5.08 -1.09 -1.26 0.53 121.20 128.43 3hv4 s ILE 17 Ca -0.04 1.80 -0.01 0.00 -2.23 0.00 0.00 60.65 60.17 3hv4 s ILE 17 Cb -0.13 -4.16 0.12 0.00 -1.58 0.00 0.00 42.46 36.71 3hv4 s ILE 17 CO 0.03 -0.09 0.23 0.26 -1.23 0.00 0.00 174.94 174.14 3hv4 s TRP 18 N 2.82 3.55 -0.40 3.97 0.52 -0.18 -4.97 118.94 124.25 3hv4 s TRP 18 Ca 0.50 -2.63 -0.15 0.00 0.02 0.00 0.00 56.10 53.84 3hv4 s TRP 18 Cb -0.20 -3.15 0.01 0.00 -1.15 0.00 0.00 33.47 28.99 3hv4 s TRP 18 CO 0.14 -0.93 0.33 -2.00 0.02 0.00 0.00 176.95 174.52 3hv4 s GLU 19 N 0.75 3.14 0.04 4.98 2.12 -1.26 -3.02 118.70 125.46 3hv4 s GLU 19 Ca 0.11 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3hv4 s GLU 19 Cb -0.22 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.21 3hv4 s GLU 19 CO -0.04 -0.71 -0.05 0.14 -0.54 0.00 0.00 175.26 174.06 3hv4 s VAL 20 N 1.84 0.33 0.61 3.70 -7.23 -0.89 -4.62 120.40 114.14 3hv4 s VAL 20 Ca 0.08 -1.14 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 3hv4 s VAL 20 Cb -0.18 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 3hv4 s VAL 20 CO 0.11 -0.53 1.30 -2.65 -0.31 0.00 0.00 175.10 173.03 3hv4 n PRO 21 N 1.28 1.30 -0.20 4.82 -0.02 -1.26 -1.31 135.00 139.61 3hv4 n PRO 21 Ca -0.22 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 61.96 3hv4 n PRO 21 Cb 0.56 -2.54 0.56 0.00 -0.02 0.00 0.00 33.50 32.06 3hv4 n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hv4 h GLU 22 N 0.82 0.31 -0.44 -0.52 5.08 -1.46 -1.64 114.58 116.73 3hv4 h GLU 22 Ca -0.51 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 57.96 3hv4 h GLU 22 Cb 1.33 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 3hv4 h GLU 22 CO 0.54 0.20 0.32 0.07 -1.00 0.00 0.00 179.01 179.14 3hv4 h ARG 23 N 0.31 0.00 -5.59 2.33 0.11 -1.88 -3.37 114.38 106.29 3hv4 h ARG 23 Ca 0.43 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.91 3hv4 h ARG 23 Cb 1.19 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.17 3hv4 h ARG 23 CO -0.13 0.00 0.21 0.71 0.10 0.00 0.00 179.97 180.87 3hv4 s TYR 24 N -5.02 3.30 0.36 4.08 1.51 -0.62 -1.05 117.35 119.92 3hv4 s TYR 24 Ca -0.05 0.90 0.06 0.00 -1.01 0.00 0.00 57.07 56.97 3hv4 s TYR 24 Cb 0.19 -2.87 -0.07 0.00 -0.11 0.00 0.00 41.96 39.10 3hv4 s TYR 24 CO 0.72 -0.31 0.01 -0.65 -1.11 0.00 0.00 175.55 174.20 3hv4 s GLN 25 N 2.46 1.78 -1.28 -0.62 -1.52 0.67 -4.85 119.66 116.30 3hv4 s GLN 25 Ca 0.28 -1.98 -0.04 0.00 -1.95 0.00 0.00 55.36 51.67 3hv4 s GLN 25 Cb -0.16 -1.30 0.00 0.00 -0.22 0.00 0.00 33.01 31.34 3hv4 s GLN 25 CO 0.09 -0.07 0.55 0.09 -0.25 0.00 0.00 175.29 175.70 3hv4 n ASN 26 N -0.80 -5.40 -4.69 5.90 5.03 -1.26 -0.45 115.26 113.58 3hv4 n ASN 26 Ca -0.04 -0.26 -0.42 0.00 0.87 0.00 0.00 54.58 54.73 3hv4 n ASN 26 Cb 0.66 -4.22 -0.03 0.00 -1.02 0.00 0.00 39.78 35.17 3hv4 n ASN 26 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hv4 s LEU 27 N -5.68 4.39 -0.02 3.41 1.02 -1.26 -4.43 118.68 116.10 3hv4 s LEU 27 Ca 0.27 2.71 0.00 0.00 0.02 0.00 0.00 54.13 57.14 3hv4 s LEU 27 Cb -0.12 -3.57 0.02 0.00 0.02 0.00 0.00 46.19 42.54 3hv4 s LEU 27 CO 0.34 -0.97 -0.00 -0.94 0.02 0.00 0.00 176.35 174.80 3hv4 s SER 28 N 2.43 0.31 0.23 2.29 1.04 -0.65 -4.98 113.70 114.38 3hv4 s SER 28 Ca 0.78 -0.02 -0.31 0.00 0.48 0.00 0.00 55.95 56.89 3hv4 s SER 28 Cb -0.45 -0.14 -0.11 0.00 0.10 0.00 0.00 66.02 65.42 3hv4 s SER 28 CO 0.35 -0.07 1.53 -2.84 0.98 0.00 0.00 173.24 173.19 3hv4 s PRO 29 N 0.73 4.21 0.00 4.02 0.02 -1.26 -0.41 135.00 142.30 3hv4 s PRO 29 Ca -0.07 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3hv4 s PRO 29 Cb -0.10 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3hv4 s PRO 29 CO -0.01 -0.55 0.90 1.33 -0.33 0.00 0.00 177.00 178.33 3hv4 n VAL 30 N 2.85 0.79 0.00 3.83 0.24 -0.36 -4.83 118.33 120.86 3hv4 n VAL 30 Ca 0.10 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 3hv4 n VAL 30 Cb 0.39 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3hv4 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hv4 n GLY 31 N -0.40 3.13 3.79 7.63 0.00 -1.24 -4.97 105.19 113.12 3hv4 n GLY 31 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 3hv4 n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hv4 s SER 32 N 0.00 -0.24 0.00 1.61 0.15 -1.26 -2.10 113.70 111.86 3hv4 s SER 32 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3hv4 s SER 32 Cb 0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 3hv4 s SER 32 CO 0.00 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 173.94 3hv4 n GLY 33 N -0.46 0.75 0.47 9.45 0.00 -0.84 -4.79 105.19 109.78 3hv4 n GLY 33 Ca -0.06 -1.60 0.28 0.00 0.00 0.00 0.00 46.02 44.65 3hv4 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hv4 h ALA 34 N 0.00 2.79 0.00 4.61 0.00 -1.84 -1.49 119.26 123.32 3hv4 h ALA 34 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hv4 h ALA 34 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hv4 h ALA 34 CO 0.00 -1.08 -0.51 1.88 0.00 0.00 0.00 179.25 179.55 3hv4 h TYR 35 N 0.07 0.00 0.00 0.00 0.05 -1.13 -3.43 116.97 112.54 3hv4 h TYR 35 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.25 3hv4 h TYR 35 Cb 1.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.49 3hv4 h TYR 35 CO -0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 3hv4 n GLY 36 N 1.30 -0.45 3.36 3.88 0.00 -0.56 -3.77 105.19 108.94 3hv4 n GLY 36 Ca 0.03 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 3hv4 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hv4 s SER 37 N 0.00 2.96 -0.02 1.61 0.01 -0.58 -1.98 113.70 115.70 3hv4 s SER 37 Ca 0.00 -0.82 0.05 0.00 1.31 0.00 0.00 55.95 56.49 3hv4 s SER 37 Cb 0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 3hv4 s SER 37 CO 0.00 0.05 -0.17 -0.69 0.41 0.00 0.00 173.24 172.84 3hv4 s VAL 38 N -1.68 1.34 0.04 3.43 1.01 -0.89 -0.57 120.40 123.08 3hv4 s VAL 38 Ca 0.16 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3hv4 s VAL 38 Cb -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3hv4 s VAL 38 CO 0.07 0.38 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 3hv4 s ALA 40 N -0.96 2.82 -0.14 0.00 0.00 0.45 -0.64 121.76 123.28 3hv4 s ALA 40 Ca 0.16 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.70 3hv4 s ALA 40 Cb -0.11 -3.10 0.13 0.00 0.00 0.00 0.00 23.12 20.04 3hv4 s ALA 40 CO 0.06 -1.08 1.08 0.00 0.00 0.00 0.00 175.76 175.83 3hv4 s ALA 41 N -3.17 -1.97 -0.22 0.00 0.00 -0.46 -1.63 121.76 114.31 3hv4 s ALA 41 Ca 0.57 1.48 -0.09 0.00 0.00 0.00 0.00 51.96 53.92 3hv4 s ALA 41 Cb -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3hv4 s ALA 41 CO 0.54 -0.50 0.12 0.12 0.00 0.00 0.00 175.76 176.04 3hv4 s PHE 42 N -2.06 3.29 -0.71 0.00 5.36 0.40 0.41 117.98 124.67 3hv4 s PHE 42 Ca 0.05 0.15 -0.21 0.00 -0.96 0.00 0.00 56.93 55.95 3hv4 s PHE 42 Cb -0.01 -2.19 0.09 0.00 -0.34 0.00 0.00 43.02 40.57 3hv4 s PHE 42 CO -0.04 0.09 0.97 0.34 -1.46 0.00 0.00 175.22 175.12 3hv4 s ASP 43 N 0.79 6.28 0.61 6.13 2.15 -0.18 -0.24 116.67 132.21 3hv4 s ASP 43 Ca 0.06 -1.29 0.33 0.00 0.43 0.00 0.00 52.55 52.08 3hv4 s ASP 43 Cb -0.13 -2.40 1.94 0.00 -0.30 0.00 0.00 42.92 42.03 3hv4 s ASP 43 CO 0.02 -1.31 2.26 0.71 -0.17 0.00 0.00 175.17 176.68 3hv4 h THR 44 N 5.94 0.40 -0.03 1.71 1.35 -1.39 0.29 112.91 121.18 3hv4 h THR 44 Ca -0.19 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.56 3hv4 h THR 44 Cb 1.06 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 3hv4 h THR 44 CO 1.16 0.00 -0.50 0.50 -0.25 0.00 0.00 175.52 176.43 3hv4 h LYS 45 N 0.00 0.08 0.00 4.72 3.64 -1.92 -3.35 116.57 119.74 3hv4 h LYS 45 Ca 0.01 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3hv4 h LYS 45 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3hv4 h LYS 45 CO -0.00 0.57 -1.04 0.25 -2.27 0.00 0.00 179.45 176.95 3hv4 n THR 46 N -3.95 0.01 -0.93 1.00 -2.24 -0.86 -5.02 114.28 102.30 3hv4 n THR 46 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3hv4 n THR 46 Cb 0.52 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3hv4 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hv4 n GLY 47 N 2.54 0.44 3.76 3.38 0.00 0.98 -5.06 105.19 111.21 3hv4 n GLY 47 Ca -0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3hv4 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hv4 s LEU 48 N 0.00 3.76 0.13 0.99 1.43 -1.22 -4.92 118.68 118.86 3hv4 s LEU 48 Ca 0.00 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 3hv4 s LEU 48 Cb 0.00 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 3hv4 s LEU 48 CO 0.00 0.21 1.20 -0.13 0.23 0.00 0.00 176.35 177.86 3hv4 s ARG 49 N -2.11 4.47 0.19 1.70 1.81 -1.26 -1.01 118.95 122.73 3hv4 s ARG 49 Ca 0.26 1.82 0.07 0.00 -1.72 0.00 0.00 55.73 56.17 3hv4 s ARG 49 Cb -0.12 -3.29 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 3hv4 s ARG 49 CO 0.18 -0.15 -0.15 0.14 -0.68 0.00 0.00 175.30 174.64 3hv4 s VAL 50 N 0.43 1.66 -0.15 3.52 -7.23 0.16 -1.68 120.40 117.12 3hv4 s VAL 50 Ca 0.55 -2.11 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 3hv4 s VAL 50 Cb -0.31 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 3hv4 s VAL 50 CO 0.33 -0.55 0.07 0.00 -0.31 0.00 0.00 175.10 174.64 3hv4 s ALA 51 N -2.79 3.49 -0.21 1.32 0.00 -0.11 -1.35 121.76 122.11 3hv4 s ALA 51 Ca 0.20 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 3hv4 s ALA 51 Cb -0.02 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.27 3hv4 s ALA 51 CO 0.06 0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.13 3hv4 s VAL 52 N -0.17 2.56 -0.29 0.00 1.01 0.19 -1.51 120.40 122.20 3hv4 s VAL 52 Ca 0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 3hv4 s VAL 52 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3hv4 s VAL 52 CO 0.01 0.38 0.13 -0.75 0.00 0.00 0.00 175.10 174.87 3hv4 s LYS 53 N 1.33 3.42 -0.27 2.72 2.20 0.17 -0.83 119.74 128.46 3hv4 s LYS 53 Ca 0.03 -0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 54.81 3hv4 s LYS 53 Cb -0.15 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3hv4 s LYS 53 CO -0.08 -0.36 0.48 0.21 -0.36 0.00 0.00 175.35 175.24 3hv4 s LYS 54 N 1.61 4.00 0.20 4.03 2.20 0.27 -0.50 119.74 131.55 3hv4 s LYS 54 Ca 0.05 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 3hv4 s LYS 54 Cb -0.17 -3.67 -0.08 0.00 -1.51 0.00 0.00 37.83 32.40 3hv4 s LYS 54 CO 0.06 -0.37 1.14 -0.51 -0.36 0.00 0.00 175.35 175.31 3hv4 s LEU 55 N 2.26 4.48 -0.05 5.43 1.43 -0.93 -1.53 118.68 129.78 3hv4 s LEU 55 Ca 0.19 2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 55.24 3hv4 s LEU 55 Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3hv4 s LEU 55 CO 0.10 -0.27 0.73 -0.55 0.23 0.00 0.00 176.35 176.59 3hv4 s SER 56 N -0.17 7.04 -1.42 2.29 0.15 -1.25 -4.35 113.70 116.00 3hv4 s SER 56 Ca 0.50 1.25 -0.02 0.00 0.70 0.00 0.00 55.95 58.38 3hv4 s SER 56 Cb -0.31 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3hv4 s SER 56 CO 0.37 -0.12 0.49 0.54 1.20 0.00 0.00 173.24 175.72 3hv4 n ARG 57 N 3.73 -3.55 0.00 5.44 1.74 -1.26 -4.82 116.66 117.94 3hv4 n ARG 57 Ca -0.01 0.43 0.08 0.00 -0.77 0.00 0.00 57.85 57.59 3hv4 n ARG 57 Cb 0.51 -4.67 0.49 0.00 -1.02 0.00 0.00 32.46 27.77 3hv4 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3hv4 h PRO 58 N -1.83 0.40 -0.17 5.56 0.13 -1.83 -2.80 132.00 131.46 3hv4 h PRO 58 Ca -0.62 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.36 3hv4 h PRO 58 Cb 1.37 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 3hv4 h PRO 58 CO 0.63 0.27 -0.52 1.19 -0.23 0.00 0.00 178.00 179.33 3hv4 n PHE 59 N -4.48 0.61 0.07 1.56 3.72 -1.26 -1.23 117.46 116.45 3hv4 n PHE 59 Ca 0.05 -1.65 0.04 0.00 -0.05 0.00 0.00 57.45 55.84 3hv4 n PHE 59 Cb 0.19 -0.29 -0.04 0.00 -0.94 0.00 0.00 39.48 38.41 3hv4 n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3hv4 h GLN 60 N 1.22 0.00 -4.99 -1.08 4.20 -1.87 -3.47 115.11 109.13 3hv4 h GLN 60 Ca 0.09 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.35 3hv4 h GLN 60 Cb 1.15 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.79 3hv4 h GLN 60 CO 0.18 0.22 -0.57 -1.54 -0.67 0.00 0.00 178.83 176.45 3hv4 s SER 61 N -5.76 1.92 0.10 1.46 1.04 -1.26 -5.04 113.70 106.17 3hv4 s SER 61 Ca -0.01 -1.52 -0.22 0.00 0.48 0.00 0.00 55.95 54.69 3hv4 s SER 61 Cb 0.09 0.28 -0.12 0.00 0.10 0.00 0.00 66.02 66.37 3hv4 s SER 61 CO 0.79 -0.81 1.75 0.40 0.98 0.00 0.00 173.24 176.35 3hv4 h ILE 62 N 2.13 1.00 -0.56 -1.02 2.04 -1.95 -1.80 117.51 117.35 3hv4 h ILE 62 Ca -0.36 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hv4 h ILE 62 Cb 1.25 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3hv4 h ILE 62 CO 0.58 0.01 0.35 0.40 0.00 0.00 0.00 178.15 179.50 3hv4 h ILE 63 N 0.08 1.16 -0.06 -0.67 1.08 -1.97 -0.23 117.51 116.90 3hv4 h ILE 63 Ca 0.03 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3hv4 h ILE 63 Cb -0.00 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3hv4 h ILE 63 CO -0.01 0.16 0.02 0.45 -0.69 0.00 0.00 178.15 178.07 3hv4 h HIS 64 N 0.75 0.09 -0.51 1.37 3.86 -1.80 -0.14 115.15 118.76 3hv4 h HIS 64 Ca 0.20 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.50 3hv4 h HIS 64 Cb -0.05 -0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.29 3hv4 h HIS 64 CO -0.03 0.22 -0.30 0.00 0.86 0.00 0.00 177.93 178.68 3hv4 h ALA 65 N 0.85 -0.03 -0.56 2.45 0.00 -0.25 0.24 119.26 121.96 3hv4 h ALA 65 Ca 0.02 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3hv4 h ALA 65 Cb 0.18 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3hv4 h ALA 65 CO -0.00 -0.66 0.04 -0.22 0.00 0.00 0.00 179.25 178.41 3hv4 h LYS 66 N -0.18 0.95 -0.92 0.00 3.64 -0.85 -1.89 116.57 117.33 3hv4 h LYS 66 Ca 0.22 -0.28 0.09 0.00 -1.27 0.00 0.00 60.65 59.40 3hv4 h LYS 66 Cb 0.53 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 3hv4 h LYS 66 CO -0.61 0.94 0.57 0.00 -2.27 0.00 0.00 179.45 178.07 3hv4 h ARG 67 N 0.84 0.94 -0.05 1.90 3.08 -0.68 0.15 114.38 120.56 3hv4 h ARG 67 Ca 0.16 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3hv4 h ARG 67 Cb 0.48 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3hv4 h ARG 67 CO 0.02 0.62 0.00 1.15 -1.07 0.00 0.00 179.97 180.70 3hv4 h THR 68 N 0.97 1.24 -0.34 2.04 2.02 -0.07 -1.74 112.91 117.04 3hv4 h THR 68 Ca 0.43 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.92 3hv4 h THR 68 Cb 0.31 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3hv4 h THR 68 CO -0.22 0.20 0.13 0.22 0.37 0.00 0.00 175.52 176.22 3hv4 h TYR 69 N -0.19 0.24 0.13 3.16 5.03 -1.23 -2.12 116.97 121.99 3hv4 h TYR 69 Ca 0.01 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.36 3hv4 h TYR 69 Cb 0.31 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 3hv4 h TYR 69 CO 0.03 0.11 -0.30 -0.09 -1.32 0.00 0.00 178.16 176.59 3hv4 h ARG 70 N 0.29 -0.51 -0.76 1.82 2.43 -0.63 -1.53 114.38 115.48 3hv4 h ARG 70 Ca 0.15 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3hv4 h ARG 70 Cb 0.10 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3hv4 h ARG 70 CO -0.14 -0.34 0.38 1.49 -1.51 0.00 0.00 179.97 179.85 3hv4 h GLU 71 N -0.53 1.09 0.26 0.20 4.81 -1.23 -0.95 114.58 118.23 3hv4 h GLU 71 Ca 0.03 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3hv4 h GLU 71 Cb 0.55 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3hv4 h GLU 71 CO -0.17 0.84 -0.13 1.25 -0.73 0.00 0.00 179.01 180.06 3hv4 h LEU 72 N 1.06 -0.32 -0.07 1.64 5.85 -1.24 -0.51 115.31 121.72 3hv4 h LEU 72 Ca 0.26 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3hv4 h LEU 72 Cb 0.10 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3hv4 h LEU 72 CO -0.04 -0.22 -0.13 0.03 -0.34 0.00 0.00 178.44 177.75 3hv4 h ARG 73 N -0.36 -0.17 0.35 1.25 2.47 -1.14 0.21 114.38 116.99 3hv4 h ARG 73 Ca -0.03 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3hv4 h ARG 73 Cb 0.29 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3hv4 h ARG 73 CO 0.05 -0.11 -0.23 1.25 0.56 0.00 0.00 179.97 181.48 3hv4 h LEU 74 N -0.18 -0.59 -1.39 3.04 5.85 -1.16 -2.59 115.31 118.29 3hv4 h LEU 74 Ca 0.07 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3hv4 h LEU 74 Cb 0.27 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hv4 h LEU 74 CO -0.17 -0.36 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.21 3hv4 h LEU 75 N -0.56 0.02 -1.49 2.25 3.38 -0.83 -1.79 115.31 116.29 3hv4 h LEU 75 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hv4 h LEU 75 Cb 0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3hv4 h LEU 75 CO 0.02 0.31 -0.17 0.11 0.09 0.00 0.00 178.44 178.80 3hv4 h LYS 76 N 0.02 0.00 0.00 1.13 1.57 -0.40 -3.19 116.57 115.70 3hv4 h LYS 76 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3hv4 h LYS 76 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 3hv4 h LYS 76 CO 0.04 0.17 -1.45 1.58 -0.57 0.00 0.00 179.45 179.22 3hv4 n HIS 77 N -3.47 0.98 -2.38 -1.35 -0.00 -0.70 -4.91 115.22 103.40 3hv4 n HIS 77 Ca -0.01 0.33 -0.43 0.00 0.46 0.00 0.00 57.72 58.08 3hv4 n HIS 77 Cb 0.34 -1.10 -0.02 0.00 -0.12 0.00 0.00 29.99 29.09 3hv4 n HIS 77 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 3hv4 s MET 78 N -2.88 4.12 -0.41 1.57 -1.94 -1.04 -4.92 119.30 113.80 3hv4 s MET 78 Ca -0.03 1.58 0.03 0.00 -1.71 0.00 0.00 55.69 55.56 3hv4 s MET 78 Cb 0.09 -3.82 0.16 0.00 2.01 0.00 0.00 34.83 33.27 3hv4 s MET 78 CO 0.81 -0.86 0.32 0.15 -0.01 0.00 0.00 175.02 175.43 3hv4 s LYS 79 N 3.78 0.87 -0.23 2.03 1.02 -1.26 -4.58 119.74 121.37 3hv4 s LYS 79 Ca 0.57 -1.98 -0.17 0.00 0.02 0.00 0.00 55.97 54.41 3hv4 s LYS 79 Cb -0.21 -1.45 0.06 0.00 -0.52 0.00 0.00 37.83 35.71 3hv4 s LYS 79 CO 0.18 -1.35 0.58 -1.58 -0.92 0.00 0.00 175.35 172.27 3hv4 s HIS 80 N 0.23 -0.75 0.36 3.18 2.46 -1.26 -5.04 115.29 114.46 3hv4 s HIS 80 Ca 0.30 1.67 0.12 0.00 0.47 0.00 0.00 55.06 57.61 3hv4 s HIS 80 Cb -0.02 0.34 0.91 0.00 -0.13 0.00 0.00 32.58 33.67 3hv4 s HIS 80 CO -0.15 -0.37 1.81 0.93 -2.47 0.00 0.00 174.74 174.49 3hv4 h GLU 81 N 6.02 0.58 -0.64 2.88 5.08 -1.98 -1.65 114.58 124.87 3hv4 h GLU 81 Ca -0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3hv4 h GLU 81 Cb 1.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hv4 h GLU 81 CO 0.17 0.38 0.00 0.09 -1.00 0.00 0.00 179.01 178.65 3hv4 n ASN 82 N -4.63 4.87 -4.02 1.42 4.13 -1.26 -4.67 115.26 111.09 3hv4 n ASN 82 Ca 0.21 -2.66 -0.19 0.00 1.68 0.00 0.00 54.58 53.62 3hv4 n ASN 82 Cb 0.64 -0.62 -0.15 0.00 -1.54 0.00 0.00 39.78 38.10 3hv4 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hv4 s VAL 83 N -2.28 0.75 0.23 2.41 1.01 -0.62 -0.31 120.40 121.59 3hv4 s VAL 83 Ca 0.47 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3hv4 s VAL 83 Cb 0.34 -0.64 -0.15 0.00 0.00 0.00 0.00 36.38 35.93 3hv4 s VAL 83 CO 0.17 0.22 0.94 0.00 0.00 0.00 0.00 175.10 176.43 3hv4 n ILE 84 N 3.02 1.69 -4.39 2.22 0.13 -0.76 -4.44 119.36 116.82 3hv4 n ILE 84 Ca -0.15 -0.42 -0.27 0.00 -1.10 0.00 0.00 62.75 60.81 3hv4 n ILE 84 Cb 0.56 -0.71 -0.11 0.00 -0.84 0.00 0.00 39.64 38.54 3hv4 n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3hv4 s GLY 85 N -0.51 1.70 -0.29 4.50 0.00 -1.26 -4.80 107.32 106.66 3hv4 s GLY 85 Ca 0.64 -1.58 -0.28 0.00 0.00 0.00 0.00 44.72 43.49 3hv4 s GLY 85 CO 0.57 -1.60 1.03 1.08 0.00 0.00 0.00 173.10 174.18 3hv4 s LEU 86 N -2.64 3.99 0.05 0.66 1.43 -1.24 -4.50 118.68 116.44 3hv4 s LEU 86 Ca 0.21 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3hv4 s LEU 86 Cb -0.08 -3.49 -0.26 0.00 0.03 0.00 0.00 46.19 42.38 3hv4 s LEU 86 CO 0.11 -0.80 1.05 -0.07 0.23 0.00 0.00 176.35 176.87 3hv4 h LEU 87 N 9.86 0.30 -7.00 1.79 4.07 -1.29 -3.41 115.31 119.63 3hv4 h LEU 87 Ca -0.21 -0.36 0.07 0.00 0.08 0.00 0.00 57.88 57.46 3hv4 h LEU 87 Cb 1.06 -0.10 -0.24 0.00 1.08 0.00 0.00 40.66 42.47 3hv4 h LEU 87 CO 1.00 1.29 0.51 -0.62 -1.08 0.00 0.00 178.44 179.55 3hv4 s ASP 88 N -6.94 -0.40 -0.01 -0.43 3.68 -1.14 -4.69 116.67 106.74 3hv4 s ASP 88 Ca -0.05 0.52 0.02 0.00 2.13 0.00 0.00 52.55 55.18 3hv4 s ASP 88 Cb 0.08 0.45 -0.00 0.00 -1.45 0.00 0.00 42.92 41.99 3hv4 s ASP 88 CO 0.86 -0.31 -0.08 0.54 0.13 0.00 0.00 175.17 176.31 3hv4 s VAL 89 N -0.79 0.67 0.16 1.11 0.11 -1.26 0.13 120.40 120.53 3hv4 s VAL 89 Ca -0.01 -0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 58.55 3hv4 s VAL 89 Cb -0.02 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3hv4 s VAL 89 CO 0.00 0.20 0.42 0.72 -3.33 0.00 0.00 175.10 173.10 3hv4 s PHE 90 N -0.09 -0.04 -0.01 1.54 -0.12 -0.84 -4.99 117.98 113.43 3hv4 s PHE 90 Ca 0.02 -0.30 -0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3hv4 s PHE 90 Cb -0.04 0.24 0.01 0.00 -0.63 0.00 0.00 43.02 42.59 3hv4 s PHE 90 CO -0.00 -0.78 0.02 -0.08 -0.05 0.00 0.00 175.22 174.33 3hv4 s THR 91 N -3.87 -0.01 0.25 -4.49 -1.32 -1.26 -1.79 115.64 103.15 3hv4 s THR 91 Ca 0.08 0.04 -0.04 0.00 -1.21 0.00 0.00 61.69 60.56 3hv4 s THR 91 Cb 0.01 -0.05 0.22 0.00 -1.51 0.00 0.00 72.50 71.18 3hv4 s THR 91 CO -0.06 0.02 1.81 -0.65 -2.21 0.00 0.00 174.62 173.52 3hv4 h PRO 92 N 6.33 0.77 -6.39 7.08 0.11 -1.82 -3.45 132.00 134.63 3hv4 h PRO 92 Ca -0.28 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.18 3hv4 h PRO 92 Cb 1.19 -0.17 0.14 0.00 0.11 0.00 0.00 31.00 32.27 3hv4 h PRO 92 CO 0.49 0.51 -0.26 0.00 -0.21 0.00 0.00 178.00 178.54 3hv4 n ALA 93 N -2.38 -1.14 1.01 -0.75 0.00 -1.26 -4.91 120.51 111.07 3hv4 n ALA 93 Ca 0.14 0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.90 3hv4 n ALA 93 Cb 0.29 -1.85 0.04 0.00 0.00 0.00 0.00 19.45 17.94 3hv4 n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hv4 n ARG 94 N 0.51 0.05 -3.81 0.00 1.74 -1.26 -5.00 116.66 108.90 3hv4 n ARG 94 Ca 0.11 -0.04 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 3hv4 n ARG 94 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3hv4 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hv4 s SER 95 N -2.97 -0.10 0.42 0.55 1.04 -1.26 -5.04 113.70 106.33 3hv4 s SER 95 Ca 0.10 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 56.02 3hv4 s SER 95 Cb 0.17 0.55 0.92 0.00 0.10 0.00 0.00 66.02 67.76 3hv4 s SER 95 CO 0.78 -1.06 2.05 0.25 0.98 0.00 0.00 173.24 176.24 3hv4 h LEU 96 N 2.00 0.42 -0.08 2.42 5.85 -1.97 -2.80 115.31 121.16 3hv4 h LEU 96 Ca -0.26 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.23 3hv4 h LEU 96 Cb 1.23 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.17 3hv4 h LEU 96 CO 0.30 0.30 -0.83 1.05 -0.34 0.00 0.00 178.44 178.92 3hv4 h GLU 97 N 0.50 0.70 0.00 1.25 9.09 -2.02 -2.90 114.58 121.21 3hv4 h GLU 97 Ca 0.17 -0.65 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3hv4 h GLU 97 Cb 0.05 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 3hv4 h GLU 97 CO -0.04 1.25 0.00 0.39 0.05 0.00 0.00 179.01 180.66 3hv4 n GLU 98 N -3.97 0.05 -2.44 1.06 1.02 -1.14 -4.90 120.64 110.33 3hv4 n GLU 98 Ca -0.09 0.25 -0.43 0.00 -0.02 0.00 0.00 57.16 56.87 3hv4 n GLU 98 Cb 0.77 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 3hv4 n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3hv4 s PHE 99 N -2.88 2.60 0.00 -0.32 5.36 -1.07 -4.68 117.98 116.99 3hv4 s PHE 99 Ca 0.08 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 56.80 3hv4 s PHE 99 Cb 0.08 -4.22 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 3hv4 s PHE 99 CO 0.22 -1.69 0.00 0.09 -1.46 0.00 0.00 175.22 172.39 3hv4 n ASN 100 N 8.21 0.00 -3.92 6.13 3.02 -1.26 -5.06 115.26 122.38 3hv4 n ASN 100 Ca 0.15 -0.95 -0.15 0.00 -0.03 0.00 0.00 54.58 53.60 3hv4 n ASN 100 Cb 0.48 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.50 3hv4 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hv4 s ASP 101 N 0.00 0.40 -0.08 6.41 1.01 -1.26 -4.68 116.67 118.48 3hv4 s ASP 101 Ca 0.00 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.21 3hv4 s ASP 101 Cb 0.00 -0.06 0.02 0.00 1.01 0.00 0.00 42.92 43.89 3hv4 s ASP 101 CO 0.00 0.03 -0.10 -0.69 0.21 0.00 0.00 175.17 174.63 3hv4 s VAL 102 N -0.02 1.00 -0.03 -1.27 1.01 -1.26 -4.54 120.40 115.29 3hv4 s VAL 102 Ca 0.01 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3hv4 s VAL 102 Cb -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3hv4 s VAL 102 CO -0.00 0.34 -0.21 -0.31 0.00 0.00 0.00 175.10 174.91 3hv4 s TYR 103 N 1.02 2.49 -0.10 5.22 1.51 -0.74 -2.18 117.35 124.57 3hv4 s TYR 103 Ca -0.08 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 3hv4 s TYR 103 Cb -0.15 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3hv4 s TYR 103 CO -0.00 0.04 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.77 3hv4 s LEU 104 N -0.63 2.32 -0.08 -1.29 1.43 0.35 -1.98 118.68 118.79 3hv4 s LEU 104 Ca 0.10 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3hv4 s LEU 104 Cb -0.10 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3hv4 s LEU 104 CO -0.00 0.19 -0.24 -0.69 0.23 0.00 0.00 176.35 175.84 3hv4 s VAL 105 N 0.18 2.14 0.28 -1.59 1.01 0.12 0.41 120.40 122.95 3hv4 s VAL 105 Ca -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.88 3hv4 s VAL 105 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3hv4 s VAL 105 CO 0.06 0.56 0.15 0.42 0.00 0.00 0.00 175.10 176.30 3hv4 s THR 106 N 0.10 0.28 0.45 3.92 -4.23 -0.57 -0.73 115.64 114.87 3hv4 s THR 106 Ca -0.11 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.16 3hv4 s THR 106 Cb -0.16 -2.53 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 3hv4 s THR 106 CO 0.06 0.00 1.13 1.41 -0.54 0.00 0.00 174.62 176.69 3hv4 n HIS 107 N -0.51 1.60 -2.74 3.99 8.25 -1.26 -0.93 115.22 123.62 3hv4 n HIS 107 Ca 0.02 0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 57.62 3hv4 n HIS 107 Cb 0.65 -2.29 -0.06 0.00 1.12 0.00 0.00 29.99 29.41 3hv4 n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hv4 s LEU 108 N -1.38 4.26 -0.13 2.41 2.96 -0.67 -4.13 118.68 122.00 3hv4 s LEU 108 Ca 0.64 1.86 0.16 0.00 -0.22 0.00 0.00 54.13 56.57 3hv4 s LEU 108 Cb -0.51 -4.10 0.69 0.00 0.50 0.00 0.00 46.19 42.76 3hv4 s LEU 108 CO 0.56 -0.18 1.58 0.23 -1.32 0.00 0.00 176.35 177.21 3hv4 n MET 109 N 0.32 3.77 0.00 1.98 2.81 -1.26 -4.93 117.12 119.81 3hv4 n MET 109 Ca 0.03 -2.68 0.00 0.00 -1.81 0.00 0.00 57.70 53.24 3hv4 n MET 109 Cb 0.50 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 3hv4 n MET 109 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hv4 n GLY 110 N 0.96 0.40 0.00 3.03 0.00 -1.26 -4.01 105.19 104.30 3hv4 n GLY 110 Ca 0.24 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3hv4 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hv4 n ALA 111 N 8.03 0.00 -2.60 4.61 0.00 -1.22 -5.05 120.51 124.27 3hv4 n ALA 111 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3hv4 n ALA 111 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3hv4 n ALA 111 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3hv4 s ASP 112 N 0.14 4.07 0.42 0.00 3.84 -1.26 -0.64 116.67 123.24 3hv4 s ASP 112 Ca 0.00 -1.36 0.17 0.00 -0.00 0.00 0.00 52.55 51.36 3hv4 s ASP 112 Cb 0.00 -0.20 0.94 0.00 -1.38 0.00 0.00 42.92 42.28 3hv4 s ASP 112 CO 0.00 -0.57 1.90 0.25 -0.00 0.00 0.00 175.17 176.75 3hv4 h LEU 113 N 1.58 0.00 -0.67 2.11 5.85 -0.90 -2.95 115.31 120.34 3hv4 h LEU 113 Ca -0.43 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3hv4 h LEU 113 Cb 1.26 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3hv4 h LEU 113 CO 0.77 0.28 0.40 -1.13 -0.34 0.00 0.00 178.44 178.41 3hv4 h ASN 114 N 0.00 0.62 0.29 1.25 -0.00 -1.83 -2.29 115.58 113.63 3hv4 h ASN 114 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.30 3hv4 h ASN 114 Cb 0.56 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 38.76 3hv4 h ASN 114 CO 0.04 0.42 -0.18 0.78 -0.00 0.00 0.00 177.43 178.49 3hv4 h ASN 115 N 0.76 -0.44 -0.59 1.15 -0.26 -1.88 -3.03 115.58 111.28 3hv4 h ASN 115 Ca 0.28 0.02 0.15 0.00 -0.56 0.00 0.00 56.30 56.20 3hv4 h ASN 115 Cb 0.09 0.13 -0.11 0.00 -1.06 0.00 0.00 38.32 37.37 3hv4 h ASN 115 CO -0.14 -0.27 -0.02 -0.38 -1.06 0.00 0.00 177.43 175.56 3hv4 n ILE 116 N -3.34 -0.25 -0.19 2.81 -0.00 -1.18 -1.15 119.36 116.06 3hv4 n ILE 116 Ca -0.05 1.32 -0.05 0.00 -0.00 0.00 0.00 62.75 63.96 3hv4 n ILE 116 Cb 0.18 -1.90 0.05 0.00 -0.00 0.00 0.00 39.64 37.97 3hv4 n ILE 116 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 3hv4 h VAL 117 N 0.00 1.06 0.13 1.39 2.07 -1.29 -2.77 116.25 116.84 3hv4 h VAL 117 Ca 0.35 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3hv4 h VAL 117 Cb 0.68 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3hv4 h VAL 117 CO -0.57 0.12 -0.06 0.11 0.02 0.00 0.00 177.57 177.19 3hv4 h LYS 118 N 0.68 -0.17 0.00 1.57 6.56 -1.13 -3.38 116.57 120.71 3hv4 h LYS 118 Ca 0.23 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.80 3hv4 h LYS 118 Cb 0.03 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 3hv4 h LYS 118 CO -0.10 0.29 -0.15 0.00 -2.06 0.00 0.00 179.45 177.43 3hv4 s GLN 120 N -3.89 0.74 0.49 0.00 -2.07 -1.05 -5.09 119.66 108.80 3hv4 s GLN 120 Ca -0.01 -0.96 -0.01 0.00 -1.82 0.00 0.00 55.36 52.56 3hv4 s GLN 120 Cb 0.11 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.33 3hv4 s GLN 120 CO 0.59 -0.21 0.73 -1.59 -1.32 0.00 0.00 175.29 173.50 3hv4 s LYS 121 N -3.59 2.95 -0.03 9.60 0.00 -1.26 -4.44 119.74 122.97 3hv4 s LYS 121 Ca 0.03 -0.43 0.06 0.00 0.00 0.00 0.00 55.97 55.63 3hv4 s LYS 121 Cb 0.04 -2.49 -0.01 0.00 0.00 0.00 0.00 37.83 35.37 3hv4 s LYS 121 CO -0.09 -0.43 -0.21 -0.51 0.00 0.00 0.00 175.35 174.10 3hv4 s LEU 122 N -4.68 2.02 0.89 2.77 1.43 -1.26 -5.11 118.68 114.74 3hv4 s LEU 122 Ca 0.51 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 3hv4 s LEU 122 Cb -0.10 -1.13 0.13 0.00 0.03 0.00 0.00 46.19 45.11 3hv4 s LEU 122 CO 0.39 0.24 1.10 0.28 0.23 0.00 0.00 176.35 178.59 3hv4 s THR 123 N -0.33 2.65 0.17 5.49 -1.32 -1.26 -4.86 115.64 116.18 3hv4 s THR 123 Ca 0.04 0.21 -0.06 0.00 -1.21 0.00 0.00 61.69 60.67 3hv4 s THR 123 Cb -0.10 -2.53 -0.07 0.00 -1.51 0.00 0.00 72.50 68.29 3hv4 s THR 123 CO 0.01 -0.28 1.47 -0.78 -2.21 0.00 0.00 174.62 172.82 3hv4 h ASP 124 N -1.61 0.74 -0.70 8.08 3.58 -1.98 -0.79 116.42 123.75 3hv4 h ASP 124 Ca -0.47 -0.40 -0.02 0.00 0.42 0.00 0.00 57.03 56.56 3hv4 h ASP 124 Cb 1.27 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 3hv4 h ASP 124 CO 0.50 1.15 0.38 -0.78 -2.88 0.00 0.00 179.24 177.60 3hv4 h ASP 125 N 0.51 0.89 0.37 2.28 3.58 -1.99 0.18 116.42 122.25 3hv4 h ASP 125 Ca 0.01 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 3hv4 h ASP 125 Cb 1.13 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.95 3hv4 h ASP 125 CO 0.11 0.73 -0.18 -0.74 -2.88 0.00 0.00 179.24 176.28 3hv4 h HIS 126 N 1.00 -0.47 -0.65 0.28 2.76 -1.90 -0.44 115.15 115.74 3hv4 h HIS 126 Ca 0.25 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.54 3hv4 h HIS 126 Cb 0.04 0.15 -0.12 0.00 1.55 0.00 0.00 27.41 29.04 3hv4 h HIS 126 CO 0.01 -0.15 -0.18 0.28 -1.30 0.00 0.00 177.93 176.59 3hv4 h VAL 127 N -0.80 0.32 -0.15 5.26 2.07 -0.92 0.19 116.25 122.22 3hv4 h VAL 127 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3hv4 h VAL 127 Cb 0.53 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3hv4 h VAL 127 CO 0.08 0.00 -0.13 1.56 0.02 0.00 0.00 177.57 179.10 3hv4 h GLN 128 N -0.02 -0.14 -0.51 1.57 4.20 -0.54 -1.50 115.11 118.16 3hv4 h GLN 128 Ca 0.31 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.07 3hv4 h GLN 128 Cb 0.49 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3hv4 h GLN 128 CO -0.68 -0.09 0.25 0.35 -0.67 0.00 0.00 178.83 177.99 3hv4 h PHE 129 N -0.15 0.46 -0.22 2.96 3.57 0.80 0.18 116.94 124.54 3hv4 h PHE 129 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3hv4 h PHE 129 Cb 0.29 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3hv4 h PHE 129 CO -0.26 0.21 0.02 -0.07 -2.23 0.00 0.00 178.31 175.98 3hv4 h LEU 130 N 0.49 0.36 -0.26 0.59 3.38 -0.33 -2.54 115.31 116.99 3hv4 h LEU 130 Ca 0.23 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 3hv4 h LEU 130 Cb 0.16 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hv4 h LEU 130 CO -0.17 0.54 -0.89 0.40 0.09 0.00 0.00 178.44 178.41 3hv4 h ILE 131 N 0.16 1.50 -0.46 1.22 1.08 -1.11 -2.72 117.51 117.17 3hv4 h ILE 131 Ca 0.06 -2.64 0.04 0.00 -0.39 0.00 0.00 64.86 61.93 3hv4 h ILE 131 Cb 0.35 2.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.54 3hv4 h ILE 131 CO 0.01 0.77 0.23 0.22 -0.69 0.00 0.00 178.15 178.68 3hv4 h TYR 132 N 0.11 0.41 -0.37 1.37 3.20 -0.59 -1.95 116.97 119.16 3hv4 h TYR 132 Ca -0.05 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 3hv4 h TYR 132 Cb 1.53 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 3hv4 h TYR 132 CO 0.03 0.20 -0.17 1.96 -1.64 0.00 0.00 178.16 178.55 3hv4 h GLN 133 N 0.45 0.68 -0.45 1.82 4.20 -1.26 -0.73 115.11 119.81 3hv4 h GLN 133 Ca 0.20 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3hv4 h GLN 133 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3hv4 h GLN 133 CO -0.15 0.81 0.09 0.82 -0.67 0.00 0.00 178.83 179.73 3hv4 h ILE 134 N 0.61 1.24 0.00 2.54 2.04 -1.29 -1.54 117.51 121.10 3hv4 h ILE 134 Ca 0.10 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 64.96 3hv4 h ILE 134 Cb 0.63 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3hv4 h ILE 134 CO 0.04 0.30 -0.66 -0.07 0.00 0.00 0.00 178.15 177.77 3hv4 h LEU 135 N 0.60 0.00 0.67 1.44 3.38 -1.02 -0.01 115.31 120.37 3hv4 h LEU 135 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hv4 h LEU 135 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hv4 h LEU 135 CO 0.01 0.66 -0.32 -0.09 0.09 0.00 0.00 178.44 178.78 3hv4 h ARG 136 N 0.00 -0.87 -0.85 1.13 2.43 -1.01 0.14 114.38 115.35 3hv4 h ARG 136 Ca -0.01 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.43 3hv4 h ARG 136 Cb 1.18 0.20 -0.13 0.00 -0.42 0.00 0.00 29.97 30.80 3hv4 h ARG 136 CO 0.09 -0.55 0.29 0.78 -1.51 0.00 0.00 179.97 179.07 3hv4 h GLY 137 N -1.04 1.34 1.53 2.80 0.00 -1.22 -2.70 103.07 103.77 3hv4 h GLY 137 Ca -0.09 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 3hv4 h GLY 137 CO 0.15 -0.28 -0.62 1.41 0.00 0.00 0.00 176.54 177.21 3hv4 h LEU 138 N 0.31 0.55 -0.69 3.11 3.38 -0.76 -0.19 115.31 121.02 3hv4 h LEU 138 Ca 0.52 -0.32 0.11 0.00 0.09 0.00 0.00 57.88 58.29 3hv4 h LEU 138 Cb 0.98 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 3hv4 h LEU 138 CO -0.56 1.03 0.27 0.50 0.09 0.00 0.00 178.44 179.77 3hv4 h LYS 139 N 0.36 0.43 -0.11 1.13 3.64 -0.41 0.57 116.57 122.18 3hv4 h LYS 139 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3hv4 h LYS 139 Cb 1.16 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3hv4 h LYS 139 CO 0.11 0.29 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.62 3hv4 h TYR 140 N 0.45 0.24 -0.15 1.91 3.20 -1.18 0.47 116.97 121.91 3hv4 h TYR 140 Ca 0.36 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3hv4 h TYR 140 Cb 0.49 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3hv4 h TYR 140 CO -0.16 0.53 0.05 0.82 -1.64 0.00 0.00 178.16 177.75 3hv4 h ILE 141 N -0.12 1.18 -0.23 1.81 2.04 -0.73 -2.71 117.51 118.75 3hv4 h ILE 141 Ca 0.03 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3hv4 h ILE 141 Cb 0.46 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3hv4 h ILE 141 CO 0.01 0.17 0.07 0.45 0.00 0.00 0.00 178.15 178.86 3hv4 h HIS 142 N 0.06 0.31 0.00 1.37 3.86 0.17 -2.00 115.15 118.92 3hv4 h HIS 142 Ca 0.05 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3hv4 h HIS 142 Cb 0.23 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3hv4 h HIS 142 CO -0.00 0.27 -0.05 0.66 0.86 0.00 0.00 177.93 179.67 3hv4 h SER 143 N 0.32 0.00 -0.51 2.45 4.64 -0.56 -0.04 113.55 119.85 3hv4 h SER 143 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hv4 h SER 143 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3hv4 h SER 143 CO -0.01 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 3hv4 n ALA 144 N -2.29 2.75 -2.78 5.18 0.00 -0.77 -4.76 120.51 117.84 3hv4 n ALA 144 Ca -0.02 -1.10 -0.22 0.00 0.00 0.00 0.00 53.44 52.10 3hv4 n ALA 144 Cb 0.15 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.62 3hv4 n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hv4 n ASP 145 N 0.91 -6.05 -4.73 0.00 9.92 -0.03 -4.77 116.55 111.79 3hv4 n ASP 145 Ca 0.19 -0.19 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 3hv4 n ASP 145 Cb 0.61 -4.93 -0.08 0.00 -0.64 0.00 0.00 41.12 36.07 3hv4 n ASP 145 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hv4 s ILE 146 N -3.13 5.09 -0.19 0.53 1.01 -1.12 -5.05 121.20 118.34 3hv4 s ILE 146 Ca 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 3hv4 s ILE 146 Cb -0.08 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3hv4 s ILE 146 CO 0.23 0.52 0.05 -0.63 0.00 0.00 0.00 174.94 175.11 3hv4 s ILE 147 N -0.18 4.55 0.02 2.92 1.01 -1.26 -3.65 121.20 124.60 3hv4 s ILE 147 Ca 0.09 -0.11 -0.25 0.00 0.00 0.00 0.00 60.65 60.38 3hv4 s ILE 147 Cb -0.12 -3.06 -0.18 0.00 0.01 0.00 0.00 42.46 39.11 3hv4 s ILE 147 CO 0.01 0.43 1.43 -0.74 0.00 0.00 0.00 174.94 176.08 3hv4 h HIS 148 N 7.06 0.01 0.00 3.97 -0.00 -1.96 -3.47 115.15 120.76 3hv4 h HIS 148 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3hv4 h HIS 148 Cb 1.17 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3hv4 h HIS 148 CO 0.58 0.32 0.00 0.54 -0.00 0.00 0.00 177.93 179.38 3hv4 n ARG 149 N -4.93 0.00 -2.20 5.26 1.74 -1.26 -4.67 116.66 110.59 3hv4 n ARG 149 Ca -0.08 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.01 3hv4 n ARG 149 Cb 0.17 -1.75 0.04 0.00 -1.02 0.00 0.00 32.46 29.90 3hv4 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hv4 n ASP 150 N 0.00 1.43 -4.68 0.55 4.64 -1.26 -5.02 116.55 112.20 3hv4 n ASP 150 Ca 0.00 -2.10 -0.44 0.00 -1.38 0.00 0.00 54.79 50.87 3hv4 n ASP 150 Cb 0.00 -0.40 -0.04 0.00 -1.04 0.00 0.00 41.12 39.64 3hv4 n ASP 150 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3hv4 n LEU 151 N -0.15 3.74 -3.57 -2.67 4.77 -1.26 -4.82 117.00 113.03 3hv4 n LEU 151 Ca 0.08 1.00 -0.06 0.00 -0.03 0.00 0.00 56.01 57.00 3hv4 n LEU 151 Cb 0.95 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3hv4 n LEU 151 CO 0.03 0.04 0.81 -1.59 -1.33 0.00 0.00 177.39 175.35 3hv4 s LYS 152 N 2.70 0.71 0.53 3.23 -2.85 -1.26 -4.82 119.74 117.98 3hv4 s LYS 152 Ca 0.84 -0.30 0.20 0.00 -1.00 0.00 0.00 55.97 55.70 3hv4 s LYS 152 Cb -0.56 0.30 1.38 0.00 -2.06 0.00 0.00 37.83 36.89 3hv4 s LYS 152 CO 0.40 -0.32 2.13 -1.35 0.10 0.00 0.00 175.35 176.32 3hv4 h PRO 153 N 2.00 0.00 0.00 1.78 0.11 -1.95 -0.17 132.00 133.77 3hv4 h PRO 153 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3hv4 h PRO 153 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hv4 h PRO 153 CO 0.28 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.94 3hv4 n SER 154 N -4.39 0.00 -1.43 -2.05 3.41 -1.26 -2.51 113.62 105.39 3hv4 n SER 154 Ca -0.00 -0.55 0.04 0.00 -0.26 0.00 0.00 58.87 58.10 3hv4 n SER 154 Cb 0.20 -0.15 0.31 0.00 -0.26 0.00 0.00 64.21 64.31 3hv4 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hv4 n ASN 155 N -1.15 4.56 -3.93 4.04 5.03 -0.08 -4.57 115.26 119.16 3hv4 n ASN 155 Ca 0.19 -3.09 -0.30 0.00 0.87 0.00 0.00 54.58 52.25 3hv4 n ASN 155 Cb 0.18 -0.63 -0.15 0.00 -1.02 0.00 0.00 39.78 38.15 3hv4 n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hv4 s LEU 156 N -2.88 2.79 -0.09 3.41 1.43 -1.04 -0.45 118.68 121.85 3hv4 s LEU 156 Ca 0.49 -1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 3hv4 s LEU 156 Cb 0.39 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 3hv4 s LEU 156 CO 0.11 -0.27 0.34 0.00 0.23 0.00 0.00 176.35 176.77 3hv4 s ALA 157 N 1.36 3.66 -0.03 4.21 0.00 -0.57 -0.69 121.76 129.70 3hv4 s ALA 157 Ca -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.59 3hv4 s ALA 157 Cb -0.19 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.58 3hv4 s ALA 157 CO -0.08 0.30 -0.06 0.08 0.00 0.00 0.00 175.76 176.00 3hv4 s VAL 158 N -0.32 0.57 0.62 0.00 1.01 0.19 -1.51 120.40 120.95 3hv4 s VAL 158 Ca 0.20 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3hv4 s VAL 158 Cb -0.15 -0.53 0.08 0.00 0.00 0.00 0.00 36.38 35.78 3hv4 s VAL 158 CO 0.08 0.20 0.86 0.54 0.00 0.00 0.00 175.10 176.78 3hv4 s ASN 159 N 0.38 4.87 0.58 3.32 2.20 -0.94 -3.43 114.94 121.92 3hv4 s ASN 159 Ca -0.05 -0.38 0.28 0.00 -0.94 0.00 0.00 52.86 51.77 3hv4 s ASN 159 Cb -0.09 -0.22 1.56 0.00 -2.00 0.00 0.00 41.25 40.50 3hv4 s ASN 159 CO 0.00 -1.47 2.02 -0.33 -2.94 0.00 0.00 177.10 174.39 3hv4 h GLU 160 N -0.12 0.00 -0.29 3.55 3.07 -1.91 0.19 114.58 119.07 3hv4 h GLU 160 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3hv4 h GLU 160 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3hv4 h GLU 160 CO 0.44 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.80 3hv4 n ASP 161 N -3.85 1.76 0.00 1.42 10.43 -1.26 -4.92 116.55 120.13 3hv4 n ASP 161 Ca 0.05 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.50 3hv4 n ASP 161 Cb 0.46 -0.19 0.00 0.00 1.84 0.00 0.00 41.12 43.23 3hv4 n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hv4 s GLU 163 N -1.14 4.19 -0.09 0.00 2.02 -1.26 -4.78 118.70 117.63 3hv4 s GLU 163 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 54.97 57.33 3hv4 s GLU 163 Cb 0.00 -3.73 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 3hv4 s GLU 163 CO 0.00 -0.78 -0.08 -1.17 0.02 0.00 0.00 175.26 173.25 3hv4 s LEU 164 N 3.10 3.06 -0.05 1.80 0.20 -1.26 -2.21 118.68 123.32 3hv4 s LEU 164 Ca 0.75 -0.11 0.04 0.00 0.69 0.00 0.00 54.13 55.50 3hv4 s LEU 164 Cb -0.39 -1.68 -0.00 0.00 -0.43 0.00 0.00 46.19 43.69 3hv4 s LEU 164 CO 0.33 0.29 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.95 3hv4 s LYS 165 N -0.37 1.94 0.03 1.98 1.02 -0.57 -4.31 119.74 119.45 3hv4 s LYS 165 Ca 0.05 -0.66 -0.26 0.00 0.02 0.00 0.00 55.97 55.13 3hv4 s LYS 165 Cb -0.12 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 3hv4 s LYS 165 CO 0.02 0.25 0.79 0.42 -0.92 0.00 0.00 175.35 175.91 3hv4 s ILE 166 N 0.04 4.78 0.00 2.17 1.01 0.58 -1.52 121.20 128.26 3hv4 s ILE 166 Ca -0.05 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.27 3hv4 s ILE 166 Cb -0.12 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3hv4 s ILE 166 CO 0.03 0.33 0.00 0.00 0.00 0.00 0.00 174.94 175.29 3hv4 n LEU 167 N 3.05 0.00 -3.42 2.97 -0.00 0.41 -1.82 117.00 118.19 3hv4 n LEU 167 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.73 3hv4 n LEU 167 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.81 3hv4 n LEU 167 CO 0.48 0.00 -0.31 -0.62 -0.00 0.00 0.00 177.39 176.94 3hv4 s ASP 168 N 1.13 2.22 0.59 1.45 -1.08 -1.26 -4.78 116.67 114.94 3hv4 s ASP 168 Ca 0.00 -2.48 0.35 0.00 -0.52 0.00 0.00 52.55 49.91 3hv4 s ASP 168 Cb 0.00 -0.33 1.88 0.00 -1.46 0.00 0.00 42.92 43.02 3hv4 s ASP 168 CO 0.00 -0.25 2.21 -0.26 0.52 0.00 0.00 175.17 177.39 3hv4 h PHE 169 N 6.48 0.00 -1.79 -5.34 0.04 -1.89 -3.45 116.94 110.98 3hv4 h PHE 169 Ca 0.14 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.24 3hv4 h PHE 169 Cb 0.95 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.18 3hv4 h PHE 169 CO 0.36 0.03 0.23 0.41 -0.60 0.00 0.00 178.31 178.75 3hv4 n GLY 170 N -0.86 -0.02 0.04 -1.45 0.00 -1.26 -4.90 105.19 96.74 3hv4 n GLY 170 Ca -0.02 0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.57 3hv4 n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hv4 n LEU 171 N 2.02 1.04 0.00 0.99 4.77 -1.26 -4.92 117.00 119.64 3hv4 n LEU 171 Ca 0.16 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3hv4 n LEU 171 Cb 0.23 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3hv4 n LEU 171 CO 0.61 0.29 0.00 0.00 -1.33 0.00 0.00 177.39 176.96 3hv4 n ALA 172 N -0.33 0.00 -3.94 -1.18 0.00 -1.26 -0.47 120.51 113.32 3hv4 n ALA 172 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 3hv4 n ALA 172 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 3hv4 n ALA 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hv4 n VAL 183 N 0.00 -2.90 -1.61 0.00 0.31 -1.26 -4.92 118.33 107.95 3hv4 n VAL 183 Ca 0.00 -0.37 -0.44 0.00 -0.01 0.00 0.00 64.34 63.52 3hv4 n VAL 183 Cb 0.00 -2.73 -0.01 0.00 -0.91 0.00 0.00 33.84 30.19 3hv4 n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hv4 n ALA 184 N -4.41 0.14 -0.32 3.52 0.00 -1.26 -4.88 120.51 113.31 3hv4 n ALA 184 Ca -0.21 0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.56 3hv4 n ALA 184 Cb 0.64 -2.08 0.12 0.00 0.00 0.00 0.00 19.45 18.13 3hv4 n ALA 184 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hv4 h THR 185 N 2.05 1.25 -0.07 0.00 2.02 -1.99 -2.91 112.91 113.25 3hv4 h THR 185 Ca -0.41 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.20 3hv4 h THR 185 Cb 1.33 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3hv4 h THR 185 CO 0.60 0.27 0.10 0.08 0.37 0.00 0.00 175.52 176.95 3hv4 h ARG 186 N 1.23 0.00 -0.29 6.66 0.11 -1.96 -1.76 114.38 118.36 3hv4 h ARG 186 Ca 0.31 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.47 3hv4 h ARG 186 Cb -0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 3hv4 h ARG 186 CO -0.05 0.00 0.21 -1.49 0.10 0.00 0.00 179.97 178.74 3hv4 h TRP 187 N 0.00 0.02 -0.01 4.08 6.55 -1.76 -2.68 115.95 122.15 3hv4 h TRP 187 Ca 0.03 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3hv4 h TRP 187 Cb 0.24 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 3hv4 h TRP 187 CO 0.00 0.01 -0.23 0.66 -1.05 0.00 0.00 178.44 177.83 3hv4 n TYR 188 N -4.45 0.00 -2.72 0.49 4.02 -0.67 -4.53 117.16 109.30 3hv4 n TYR 188 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.52 3hv4 n TYR 188 Cb 0.36 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.64 3hv4 n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3hv4 s ARG 189 N -1.61 4.72 0.45 -0.72 3.52 -1.01 -3.78 118.95 120.52 3hv4 s ARG 189 Ca 0.13 1.48 -0.24 0.00 -0.13 0.00 0.00 55.73 56.96 3hv4 s ARG 189 Cb 0.11 -3.36 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 3hv4 s ARG 189 CO 0.32 0.25 1.18 0.00 -0.81 0.00 0.00 175.30 176.23 3hv4 n ALA 190 N 2.57 0.91 -0.32 6.12 0.00 -1.26 -4.84 120.51 123.68 3hv4 n ALA 190 Ca 0.02 0.21 0.18 0.00 0.00 0.00 0.00 53.44 53.85 3hv4 n ALA 190 Cb 0.49 -2.21 0.43 0.00 0.00 0.00 0.00 19.45 18.16 3hv4 n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hv4 h PRO 191 N 1.69 0.52 -0.36 0.00 0.13 -1.94 -2.14 132.00 129.90 3hv4 h PRO 191 Ca -0.47 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 3hv4 h PRO 191 Cb 1.31 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3hv4 h PRO 191 CO 0.58 0.35 -0.21 1.05 -0.23 0.00 0.00 178.00 179.53 3hv4 h GLU 192 N 0.54 0.70 0.18 0.86 9.09 -1.91 -3.00 114.58 121.04 3hv4 h GLU 192 Ca 0.58 -0.27 -0.01 0.00 0.05 0.00 0.00 59.36 59.71 3hv4 h GLU 192 Cb 1.23 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 3hv4 h GLU 192 CO -0.33 0.85 -0.09 0.82 0.05 0.00 0.00 179.01 180.31 3hv4 h ILE 193 N 0.62 0.83 0.00 -1.06 2.04 -1.73 -1.38 117.51 116.83 3hv4 h ILE 193 Ca 0.09 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3hv4 h ILE 193 Cb 0.69 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3hv4 h ILE 193 CO 0.05 0.00 0.43 0.23 0.00 0.00 0.00 178.15 178.87 3hv4 n MET 194 N -5.19 0.06 -0.30 2.37 2.81 -1.12 -0.16 117.12 115.60 3hv4 n MET 194 Ca -0.09 0.52 0.08 0.00 -1.81 0.00 0.00 57.70 56.40 3hv4 n MET 194 Cb 0.12 -2.14 0.22 0.00 -0.71 0.00 0.00 33.22 30.72 3hv4 n MET 194 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hv4 n LEU 195 N -1.92 3.46 -3.98 4.03 4.32 -0.55 -4.97 117.00 117.39 3hv4 n LEU 195 Ca -0.01 -2.17 -0.38 0.00 -0.02 0.00 0.00 56.01 53.44 3hv4 n LEU 195 Cb 0.44 -0.36 0.01 0.00 -1.62 0.00 0.00 43.42 41.90 3hv4 n LEU 195 CO 0.04 0.79 -0.16 -3.20 -1.22 0.00 0.00 177.39 173.64 3hv4 n ASN 196 N 0.69 -3.54 -4.66 -1.43 5.15 0.78 -4.90 115.26 107.35 3hv4 n ASN 196 Ca 0.17 -1.07 -0.43 0.00 -0.60 0.00 0.00 54.58 52.65 3hv4 n ASN 196 Cb 0.57 -1.34 -0.02 0.00 -0.53 0.00 0.00 39.78 38.47 3hv4 n ASN 196 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3hv4 s TRP 197 N -3.62 3.31 -1.53 1.20 -0.11 -1.02 -4.95 118.94 112.22 3hv4 s TRP 197 Ca 0.36 1.43 0.24 0.00 1.22 0.00 0.00 56.10 59.35 3hv4 s TRP 197 Cb -0.20 -3.33 1.27 0.00 -1.50 0.00 0.00 33.47 29.71 3hv4 s TRP 197 CO 0.82 -0.54 1.81 -1.33 -4.62 0.00 0.00 176.95 173.09 3hv4 n MET 198 N 6.40 0.42 -2.82 5.86 2.81 -1.26 -3.91 117.12 124.63 3hv4 n MET 198 Ca 0.12 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.93 3hv4 n MET 198 Cb 0.46 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.48 3hv4 n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3hv4 n HIS 199 N -1.23 1.07 -2.54 2.03 1.44 -1.26 -5.12 115.22 109.60 3hv4 n HIS 199 Ca 0.13 -3.15 -0.31 0.00 -2.01 0.00 0.00 57.72 52.38 3hv4 n HIS 199 Cb 0.17 -0.38 -0.03 0.00 0.12 0.00 0.00 29.99 29.88 3hv4 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3hv4 s TYR 200 N -2.95 3.48 0.03 -1.40 1.13 -1.25 -5.09 117.35 111.30 3hv4 s TYR 200 Ca 0.33 1.25 0.00 0.00 -1.41 0.00 0.00 57.07 57.23 3hv4 s TYR 200 Cb 0.42 -2.62 -0.00 0.00 -1.10 0.00 0.00 41.96 38.66 3hv4 s TYR 200 CO -0.01 -0.29 0.00 0.27 -2.51 0.00 0.00 175.55 173.01 3hv4 n ASN 201 N -1.61 1.64 -0.32 -0.18 0.23 -1.26 -5.04 115.26 108.71 3hv4 n ASN 201 Ca 0.05 -1.12 0.10 0.00 -0.53 0.00 0.00 54.58 53.07 3hv4 n ASN 201 Cb 0.54 0.03 0.27 0.00 -2.08 0.00 0.00 39.78 38.55 3hv4 n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3hv4 h GLN 202 N 0.00 0.65 -0.38 -3.83 4.20 -1.98 -1.19 115.11 112.58 3hv4 h GLN 202 Ca -0.02 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.76 3hv4 h GLN 202 Cb 0.07 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3hv4 h GLN 202 CO 0.03 0.43 0.65 1.79 -0.67 0.00 0.00 178.83 181.07 3hv4 h THR 203 N 0.67 0.14 -0.96 -0.54 1.35 -1.94 0.21 112.91 111.84 3hv4 h THR 203 Ca 0.52 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.52 3hv4 h THR 203 Cb 0.78 0.43 -0.08 0.00 -1.73 0.00 0.00 68.15 67.55 3hv4 h THR 203 CO -0.38 0.00 0.61 -0.37 -0.25 0.00 0.00 175.52 175.12 3hv4 h VAL 204 N 0.00 0.84 -0.89 6.82 -1.51 -1.60 -1.28 116.25 118.63 3hv4 h VAL 204 Ca 0.18 -0.28 0.01 0.00 -1.23 0.00 0.00 66.70 65.38 3hv4 h VAL 204 Cb 1.48 -0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.55 3hv4 h VAL 204 CO -0.00 0.15 0.58 0.44 -1.23 0.00 0.00 177.57 177.51 3hv4 h ASP 205 N 0.81 1.03 -0.54 4.19 3.45 -0.80 -2.78 116.42 121.79 3hv4 h ASP 205 Ca 0.49 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.80 3hv4 h ASP 205 Cb 0.68 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 3hv4 h ASP 205 CO -0.26 0.75 -0.13 0.40 -1.57 0.00 0.00 179.24 178.44 3hv4 h ILE 206 N 1.21 1.27 -0.78 0.35 1.08 -1.40 -0.72 117.51 118.52 3hv4 h ILE 206 Ca 0.32 -1.29 0.17 0.00 -0.39 0.00 0.00 64.86 63.67 3hv4 h ILE 206 Cb -0.13 0.98 -0.11 0.00 -3.07 0.00 0.00 36.82 34.50 3hv4 h ILE 206 CO -0.07 0.46 0.24 -0.25 -0.69 0.00 0.00 178.15 177.84 3hv4 h TRP 207 N 0.92 0.39 -0.28 1.37 2.91 -1.07 0.22 115.95 120.41 3hv4 h TRP 207 Ca 0.14 0.04 -0.12 0.00 1.13 0.00 0.00 58.89 60.08 3hv4 h TRP 207 Cb 0.70 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.30 3hv4 h TRP 207 CO 0.05 -0.05 -0.28 0.77 -1.03 0.00 0.00 178.44 177.90 3hv4 h SER 208 N 0.33 0.73 -0.42 2.65 0.02 -0.98 -1.12 113.55 114.76 3hv4 h SER 208 Ca 0.45 -0.47 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3hv4 h SER 208 Cb 0.77 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3hv4 h SER 208 CO -0.50 1.05 0.22 0.58 -1.14 0.00 0.00 176.83 177.04 3hv4 h VAL 209 N 0.41 0.99 -0.85 2.27 2.07 -0.71 -0.42 116.25 120.01 3hv4 h VAL 209 Ca 0.04 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.56 3hv4 h VAL 209 Cb 0.85 0.51 -0.15 0.00 -1.52 0.00 0.00 31.29 30.98 3hv4 h VAL 209 CO 0.07 0.08 -0.32 1.23 0.02 0.00 0.00 177.57 178.65 3hv4 h GLY 210 N 0.44 0.22 1.45 2.17 0.00 -0.08 0.11 103.07 107.37 3hv4 h GLY 210 Ca 0.18 0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.87 3hv4 h GLY 210 CO -0.11 -0.25 0.03 0.00 0.00 0.00 0.00 176.54 176.21 3hv4 h ILE 212 N 0.65 1.35 -0.16 0.00 2.04 -0.13 -2.43 117.51 118.83 3hv4 h ILE 212 Ca 0.14 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.76 3hv4 h ILE 212 Cb 0.37 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3hv4 h ILE 212 CO 0.01 0.36 0.05 -0.03 0.00 0.00 0.00 178.15 178.55 3hv4 h MET 213 N -0.08 0.13 -0.19 2.37 4.05 -0.73 0.22 114.93 120.70 3hv4 h MET 213 Ca 0.02 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3hv4 h MET 213 Cb 0.63 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.34 3hv4 h MET 213 CO 0.03 0.08 -0.19 0.00 0.23 0.00 0.00 176.91 177.06 3hv4 h ALA 214 N 1.10 -0.08 -0.91 0.39 0.00 -1.48 0.11 119.26 118.38 3hv4 h ALA 214 Ca 0.07 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3hv4 h ALA 214 Cb 0.04 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3hv4 h ALA 214 CO -0.07 -0.63 0.57 1.49 0.00 0.00 0.00 179.25 180.61 3hv4 h GLU 215 N -0.21 0.99 -0.27 0.00 4.81 -0.97 0.55 114.58 119.48 3hv4 h GLU 215 Ca 0.12 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3hv4 h GLU 215 Cb 0.39 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3hv4 h GLU 215 CO -0.31 0.66 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.39 3hv4 h LEU 216 N 1.02 0.46 -0.07 1.64 3.38 0.15 -0.17 115.31 121.72 3hv4 h LEU 216 Ca 0.41 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 3hv4 h LEU 216 Cb 0.21 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hv4 h LEU 216 CO -0.19 0.65 -0.43 -0.07 0.09 0.00 0.00 178.44 178.50 3hv4 h LEU 217 N 0.43 0.49 -0.04 1.67 3.38 0.47 -3.37 115.31 118.35 3hv4 h LEU 217 Ca 0.08 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3hv4 h LEU 217 Cb 0.55 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hv4 h LEU 217 CO 0.04 1.09 -0.81 0.35 0.09 0.00 0.00 178.44 179.19 3hv4 n THR 218 N -4.32 0.00 0.00 0.22 -2.24 0.05 -4.92 114.28 103.06 3hv4 n THR 218 Ca -0.09 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3hv4 n THR 218 Cb 0.57 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3hv4 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hv4 n GLY 219 N 1.49 2.94 3.41 3.38 0.00 -0.09 -5.03 105.19 111.30 3hv4 n GLY 219 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 3hv4 n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hv4 s ARG 220 N -0.18 1.50 0.00 1.61 1.70 -1.24 -4.88 118.95 117.46 3hv4 s ARG 220 Ca 0.00 -1.68 -0.37 0.00 -0.47 0.00 0.00 55.73 53.21 3hv4 s ARG 220 Cb 0.00 -1.42 -0.16 0.00 -0.57 0.00 0.00 34.95 32.80 3hv4 s ARG 220 CO 0.00 0.25 1.52 2.41 -1.08 0.00 0.00 175.30 178.39 3hv4 n THR 221 N -0.50 0.12 0.37 4.99 -1.04 -1.26 -4.19 114.28 112.77 3hv4 n THR 221 Ca -0.07 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.05 61.74 3hv4 n THR 221 Cb 0.60 -1.12 -0.09 0.00 -1.82 0.00 0.00 70.33 67.91 3hv4 n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hv4 h LEU 222 N 5.78 -0.89 -6.70 -4.42 5.85 -1.92 -3.39 115.31 109.62 3hv4 h LEU 222 Ca -0.47 0.04 -0.61 0.00 0.84 0.00 0.00 57.88 57.69 3hv4 h LEU 222 Cb 1.31 0.25 -0.41 0.00 0.37 0.00 0.00 40.66 42.18 3hv4 h LEU 222 CO 0.85 -0.59 -0.69 0.49 -0.34 0.00 0.00 178.44 178.16 3hv4 n PHE 223 N -5.51 2.23 -1.24 1.25 3.01 -1.26 -5.01 117.46 110.93 3hv4 n PHE 223 Ca -0.13 -4.03 -0.36 0.00 1.01 0.00 0.00 57.45 53.93 3hv4 n PHE 223 Cb 0.40 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 3hv4 n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3hv4 n PRO 224 N 1.89 3.37 -2.27 -1.08 -0.04 -1.26 -4.58 135.00 131.02 3hv4 n PRO 224 Ca 0.24 -2.10 -0.39 0.00 -0.04 0.00 0.00 63.50 61.21 3hv4 n PRO 224 Cb 0.40 -2.77 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 3hv4 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hv4 s GLY 225 N 2.47 2.92 0.00 0.55 0.00 -1.26 -4.95 107.32 107.05 3hv4 s GLY 225 Ca 0.63 1.03 0.28 0.00 0.00 0.00 0.00 44.72 46.66 3hv4 s GLY 225 CO -0.06 1.58 1.70 -1.30 0.00 0.00 0.00 173.10 175.02 3hv4 n THR 226 N 0.35 0.00 -3.90 0.90 -2.24 -1.26 -4.85 114.28 103.28 3hv4 n THR 226 Ca 0.03 -0.22 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 3hv4 n THR 226 Cb 0.45 0.48 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3hv4 n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hv4 n ASP 227 N -0.02 -1.54 -0.11 3.42 3.85 -1.26 -5.02 116.55 115.87 3hv4 n ASP 227 Ca 0.17 -1.73 -0.01 0.00 -0.71 0.00 0.00 54.79 52.51 3hv4 n ASP 227 Cb 0.36 2.48 0.25 0.00 -1.35 0.00 0.00 41.12 42.86 3hv4 n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3hv4 h HIS 228 N 1.93 0.77 0.02 2.11 3.86 -1.97 -0.34 115.15 121.53 3hv4 h HIS 228 Ca -0.25 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 58.80 3hv4 h HIS 228 Cb 1.13 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 29.37 3hv4 h HIS 228 CO 0.00 0.60 -0.51 0.82 0.86 0.00 0.00 177.93 179.70 3hv4 h ILE 229 N 0.77 1.48 -0.72 2.45 1.08 -1.97 -2.86 117.51 117.74 3hv4 h ILE 229 Ca 0.18 -2.10 0.07 0.00 -0.39 0.00 0.00 64.86 62.62 3hv4 h ILE 229 Cb 0.15 2.74 -0.06 0.00 -3.07 0.00 0.00 36.82 36.58 3hv4 h ILE 229 CO -0.02 0.60 0.40 -0.78 -0.69 0.00 0.00 178.15 177.66 3hv4 h ASP 230 N -0.27 0.58 -0.33 1.72 -0.00 -1.94 -1.83 116.42 114.34 3hv4 h ASP 230 Ca -0.07 0.04 0.06 0.00 -0.00 0.00 0.00 57.03 57.06 3hv4 h ASP 230 Cb 1.25 -0.07 -0.05 0.00 -0.00 0.00 0.00 39.33 40.46 3hv4 h ASP 230 CO 0.10 0.36 -0.01 -0.61 -0.00 0.00 0.00 179.24 179.08 3hv4 h GLN 231 N 0.71 0.08 -0.57 0.28 5.75 -1.02 0.28 115.11 120.62 3hv4 h GLN 231 Ca 0.33 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.77 3hv4 h GLN 231 Cb 0.25 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3hv4 h GLN 231 CO -0.21 0.05 0.14 -0.07 -2.65 0.00 0.00 178.83 176.10 3hv4 h LEU 232 N 0.08 0.82 -0.20 -2.39 3.38 -1.25 -1.98 115.31 113.77 3hv4 h LEU 232 Ca 0.16 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hv4 h LEU 232 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hv4 h LEU 232 CO -0.27 0.80 0.12 0.11 0.09 0.00 0.00 178.44 179.29 3hv4 h LYS 233 N 0.85 0.27 -0.50 1.13 1.57 -0.41 -1.16 116.57 118.33 3hv4 h LYS 233 Ca 0.19 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hv4 h LYS 233 Cb 0.30 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3hv4 h LYS 233 CO -0.00 0.23 0.32 -0.07 -0.57 0.00 0.00 179.45 179.36 3hv4 h LEU 234 N 0.24 0.57 0.03 2.94 3.38 -0.10 -2.35 115.31 120.03 3hv4 h LEU 234 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hv4 h LEU 234 Cb 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hv4 h LEU 234 CO -0.01 0.42 -0.02 0.40 0.09 0.00 0.00 178.44 179.32 3hv4 h ILE 235 N 0.67 1.34 0.00 1.22 2.04 -1.16 -3.21 117.51 118.41 3hv4 h ILE 235 Ca 0.18 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 3hv4 h ILE 235 Cb -0.06 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3hv4 h ILE 235 CO -0.04 0.32 -0.00 -0.07 0.00 0.00 0.00 178.15 178.36 3hv4 h LEU 236 N -0.62 0.00 -0.72 1.44 3.38 -1.00 0.19 115.31 117.99 3hv4 h LEU 236 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3hv4 h LEU 236 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hv4 h LEU 236 CO 0.01 0.00 -0.49 0.03 0.09 0.00 0.00 178.44 178.08 3hv4 h ARG 237 N 0.00 0.37 0.00 1.13 3.08 -1.43 0.11 114.38 117.65 3hv4 h ARG 237 Ca -0.00 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3hv4 h ARG 237 Cb 0.31 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hv4 h ARG 237 CO 0.00 0.78 -0.16 1.25 -1.07 0.00 0.00 179.97 180.77 3hv4 h LEU 238 N 0.30 0.00 0.00 3.04 5.85 -1.10 -3.42 115.31 119.98 3hv4 h LEU 238 Ca 0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3hv4 h LEU 238 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hv4 h LEU 238 CO 0.08 0.63 -0.42 1.33 -0.34 0.00 0.00 178.44 179.72 3hv4 n VAL 239 N -4.72 0.01 0.00 1.05 0.24 0.50 -1.57 118.33 113.83 3hv4 n VAL 239 Ca -0.03 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3hv4 n VAL 239 Cb 0.12 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3hv4 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hv4 n GLY 240 N 1.50 -1.56 3.73 7.63 0.00 0.38 -4.38 105.19 112.49 3hv4 n GLY 240 Ca 0.06 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 3hv4 n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hv4 n THR 241 N -0.99 4.21 -1.59 2.61 -2.24 -0.68 -4.74 114.28 110.86 3hv4 n THR 241 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3hv4 n THR 241 Cb 0.00 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 3hv4 n THR 241 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3hv4 n PRO 242 N -1.30 1.32 -2.60 -0.78 -0.04 -1.26 -4.96 135.00 125.38 3hv4 n PRO 242 Ca 0.12 0.47 -0.23 0.00 -0.04 0.00 0.00 63.50 63.82 3hv4 n PRO 242 Cb 0.46 -1.94 0.11 0.00 -0.04 0.00 0.00 33.50 32.08 3hv4 n PRO 242 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hv4 s GLY 243 N -0.67 1.76 0.12 0.55 0.00 -1.26 -4.87 107.32 102.94 3hv4 s GLY 243 Ca 0.61 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 3hv4 s GLY 243 CO 0.58 -1.19 1.62 0.00 0.00 0.00 0.00 173.10 174.11 3hv4 h ALA 244 N -0.52 0.47 0.00 3.20 0.00 -1.97 0.29 119.26 120.72 3hv4 h ALA 244 Ca -0.36 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hv4 h ALA 244 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hv4 h ALA 244 CO 0.40 0.14 0.23 1.49 0.00 0.00 0.00 179.25 181.50 3hv4 h GLU 245 N 0.42 0.00 0.00 0.00 4.22 -1.99 0.86 114.58 118.09 3hv4 h GLU 245 Ca 0.11 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.27 3hv4 h GLU 245 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3hv4 h GLU 245 CO 0.00 0.00 -2.07 -0.11 -2.18 0.00 0.00 179.01 174.65 3hv4 n LEU 246 N -2.63 1.41 0.11 1.64 7.94 -0.90 -4.22 117.00 120.35 3hv4 n LEU 246 Ca -0.02 -0.05 0.03 0.00 -1.11 0.00 0.00 56.01 54.86 3hv4 n LEU 246 Cb 0.27 -0.12 0.41 0.00 0.53 0.00 0.00 43.42 44.51 3hv4 n LEU 246 CO 0.12 0.59 0.94 -0.07 -1.11 0.00 0.00 177.39 177.85 3hv4 h LEU 247 N 0.00 0.24 -2.11 -1.96 3.38 0.89 -1.37 115.31 114.38 3hv4 h LEU 247 Ca -0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3hv4 h LEU 247 Cb 1.81 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 3hv4 h LEU 247 CO -0.02 0.35 -0.04 0.11 0.09 0.00 0.00 178.44 178.93 3hv4 h LYS 248 N 0.25 0.00 0.00 1.13 1.57 0.50 -1.94 116.57 118.08 3hv4 h LYS 248 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hv4 h LYS 248 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hv4 h LYS 248 CO 0.01 0.04 0.00 0.87 -0.57 0.00 0.00 179.45 179.81 3hv4 h LYS 249 N 0.00 0.00 -3.86 3.15 1.57 -1.42 -3.40 116.57 112.62 3hv4 h LYS 249 Ca -0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.04 3hv4 h LYS 249 Cb 0.09 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.10 3hv4 h LYS 249 CO 0.01 0.00 -0.19 0.42 -0.57 0.00 0.00 179.45 179.12 3hv4 s ILE 250 N -3.18 4.61 -2.00 1.86 1.01 -0.73 -4.94 121.20 117.82 3hv4 s ILE 250 Ca 0.08 -2.46 0.07 0.00 0.00 0.00 0.00 60.65 58.35 3hv4 s ILE 250 Cb 0.09 -3.94 0.20 0.00 0.01 0.00 0.00 42.46 38.82 3hv4 s ILE 250 CO 0.62 -0.91 1.27 -1.54 0.00 0.00 0.00 174.94 174.37 3hv4 n SER 251 N 4.05 0.08 -4.68 3.58 3.41 -1.26 -4.69 113.62 114.11 3hv4 n SER 251 Ca 0.06 -1.79 -0.43 0.00 -0.26 0.00 0.00 58.87 56.45 3hv4 n SER 251 Cb 0.42 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 3hv4 n SER 251 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hv4 s SER 252 N -1.21 7.11 0.18 4.04 0.01 -1.26 -4.93 113.70 117.64 3hv4 s SER 252 Ca 0.11 1.62 0.03 0.00 1.31 0.00 0.00 55.95 59.01 3hv4 s SER 252 Cb 0.05 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.78 3hv4 s SER 252 CO 0.08 -0.58 1.42 -0.08 0.41 0.00 0.00 173.24 174.49 3hv4 h GLU 253 N 7.43 0.21 -0.21 12.44 4.81 -2.01 -2.52 114.58 134.74 3hv4 h GLU 253 Ca -0.29 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3hv4 h GLU 253 Cb 1.13 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 3hv4 h GLU 253 CO 0.90 0.91 -0.40 0.66 -0.73 0.00 0.00 179.01 180.35 3hv4 h SER 254 N 0.13 -1.29 0.00 1.04 4.64 -1.98 -3.09 113.55 112.99 3hv4 h SER 254 Ca -0.04 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3hv4 h SER 254 Cb 1.42 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 3hv4 h SER 254 CO 0.13 -0.40 0.00 0.00 -0.87 0.00 0.00 176.83 175.69 3hv4 n ALA 255 N -2.96 -0.10 -0.28 5.18 0.00 -1.19 -3.36 120.51 117.81 3hv4 n ALA 255 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 3hv4 n ALA 255 Cb 0.35 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 3hv4 n ALA 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hv4 n ARG 256 N -0.99 -0.29 0.07 0.00 1.74 -0.95 -0.64 116.66 115.59 3hv4 n ARG 256 Ca 0.00 1.02 0.03 0.00 -0.77 0.00 0.00 57.85 58.14 3hv4 n ARG 256 Cb 0.00 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.36 3hv4 n ARG 256 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hv4 h ASN 257 N 0.00 0.33 1.48 0.55 -0.26 -1.69 -1.51 115.58 114.48 3hv4 h ASN 257 Ca 0.11 -0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.74 3hv4 h ASN 257 Cb 0.27 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3hv4 h ASN 257 CO -0.62 0.34 -0.33 0.10 -1.06 0.00 0.00 177.43 175.86 3hv4 h TYR 258 N 0.37 0.00 0.13 1.19 -0.00 -0.88 -2.57 116.97 115.20 3hv4 h TYR 258 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 58.73 58.52 3hv4 h TYR 258 Cb 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 36.91 3hv4 h TYR 258 CO 0.00 0.33 -1.25 0.82 -0.00 0.00 0.00 178.16 178.06 3hv4 h ILE 259 N 0.00 1.31 0.00 -0.90 2.04 -0.95 -3.06 117.51 115.95 3hv4 h ILE 259 Ca -0.00 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 3hv4 h ILE 259 Cb 1.16 2.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 3hv4 h ILE 259 CO 0.04 0.77 -0.02 1.56 0.00 0.00 0.00 178.15 180.50 3hv4 h GLN 260 N 0.24 0.00 0.00 2.37 4.20 -1.31 -2.32 115.11 118.29 3hv4 h GLN 260 Ca -0.18 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 3hv4 h GLN 260 Cb 1.93 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.70 3hv4 h GLN 260 CO 0.23 0.02 -0.43 0.66 -0.67 0.00 0.00 178.83 178.65 3hv4 h SER 261 N 0.00 0.00 -2.89 1.46 4.64 -1.48 -3.43 113.55 111.84 3hv4 h SER 261 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hv4 h SER 261 Cb 0.50 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.62 3hv4 h SER 261 CO 0.00 0.16 0.82 -0.76 -0.87 0.00 0.00 176.83 176.18 3hv4 s LEU 262 N -6.06 4.37 -0.02 5.97 1.43 -0.87 -4.93 118.68 118.56 3hv4 s LEU 262 Ca 0.04 2.47 -0.38 0.00 -1.03 0.00 0.00 54.13 55.23 3hv4 s LEU 262 Cb 0.07 -3.59 -0.16 0.00 0.03 0.00 0.00 46.19 42.54 3hv4 s LEU 262 CO 0.72 -0.75 1.47 0.41 0.23 0.00 0.00 176.35 178.43 3hv4 n THR 263 N 4.03 0.10 -0.90 5.49 -1.04 -1.26 -4.90 114.28 115.80 3hv4 n THR 263 Ca 0.13 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.78 3hv4 n THR 263 Cb 0.40 -0.96 0.10 0.00 -1.82 0.00 0.00 70.33 68.05 3hv4 n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hv4 n GLN 264 N 3.41 -0.16 -3.68 -2.82 1.13 -1.26 -5.02 117.38 108.98 3hv4 n GLN 264 Ca 0.21 -0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 55.13 3hv4 n GLN 264 Cb 0.18 -1.69 -0.13 0.00 0.11 0.00 0.00 30.24 28.71 3hv4 n GLN 264 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3hv4 s MET 265 N -3.19 0.20 0.71 -1.09 -1.94 -1.26 -5.00 119.30 107.73 3hv4 s MET 265 Ca 0.55 0.74 -0.11 0.00 -1.71 0.00 0.00 55.69 55.15 3hv4 s MET 265 Cb -0.23 -0.01 0.02 0.00 2.01 0.00 0.00 34.83 36.62 3hv4 s MET 265 CO 0.69 -0.24 1.08 -1.25 -0.01 0.00 0.00 175.02 175.28 3hv4 s PRO 266 N 2.10 2.83 -0.07 2.03 0.04 -1.26 -1.69 135.00 138.99 3hv4 s PRO 266 Ca -0.02 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 3hv4 s PRO 266 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3hv4 s PRO 266 CO -0.09 -1.10 1.38 0.21 0.04 0.00 0.00 177.00 177.44 3hv4 s LYS 267 N -5.21 4.26 0.57 4.56 2.20 -1.26 -3.85 119.74 121.00 3hv4 s LYS 267 Ca 0.58 1.88 -0.18 0.00 -0.36 0.00 0.00 55.97 57.89 3hv4 s LYS 267 Cb -0.12 -3.70 -0.05 0.00 -1.51 0.00 0.00 37.83 32.45 3hv4 s LYS 267 CO 0.53 -0.65 1.10 -1.64 -0.36 0.00 0.00 175.35 174.34 3hv4 s MET 268 N 3.00 3.30 -0.34 4.03 -1.94 -0.61 -4.96 119.30 121.78 3hv4 s MET 268 Ca 0.62 1.46 -0.23 0.00 -1.71 0.00 0.00 55.69 55.82 3hv4 s MET 268 Cb -0.28 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.56 3hv4 s MET 268 CO 0.23 -0.87 0.79 1.21 -0.01 0.00 0.00 175.02 176.37 3hv4 s ASN 269 N -2.14 6.59 0.52 3.03 2.47 -1.26 -4.92 114.94 119.23 3hv4 s ASN 269 Ca 0.69 0.48 0.18 0.00 0.42 0.00 0.00 52.86 54.63 3hv4 s ASN 269 Cb -0.21 -2.40 1.28 0.00 -1.45 0.00 0.00 41.25 38.47 3hv4 s ASN 269 CO 0.31 -0.69 2.10 -0.26 -3.72 0.00 0.00 177.10 174.84 3hv4 h PHE 270 N 8.34 0.03 0.00 0.43 0.05 -1.95 0.20 116.94 124.05 3hv4 h PHE 270 Ca -0.25 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.54 3hv4 h PHE 270 Cb 1.09 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 39.03 3hv4 h PHE 270 CO 0.79 0.02 -0.01 0.00 -0.18 0.00 0.00 178.31 178.92 3hv4 h ALA 271 N 1.92 1.95 -0.29 2.45 0.00 -1.91 0.22 119.26 123.60 3hv4 h ALA 271 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hv4 h ALA 271 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hv4 h ALA 271 CO -0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3hv4 n ASN 272 N -4.48 2.22 -0.06 0.00 3.02 0.69 -4.38 115.26 112.27 3hv4 n ASN 272 Ca -0.03 -1.85 -0.12 0.00 -0.03 0.00 0.00 54.58 52.55 3hv4 n ASN 272 Cb 0.10 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.04 3hv4 n ASN 272 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hv4 n VAL 273 N 0.69 0.63 -3.01 2.41 0.31 0.56 -4.80 118.33 115.12 3hv4 n VAL 273 Ca 0.16 -0.17 -0.44 0.00 -0.01 0.00 0.00 64.34 63.88 3hv4 n VAL 273 Cb 0.40 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 3hv4 n VAL 273 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3hv4 s PHE 274 N -2.21 3.52 -0.03 3.52 0.40 0.04 -4.98 117.98 118.23 3hv4 s PHE 274 Ca -0.16 -2.02 -0.30 0.00 -0.60 0.00 0.00 56.93 53.85 3hv4 s PHE 274 Cb 0.06 -4.22 -0.03 0.00 0.51 0.00 0.00 43.02 39.33 3hv4 s PHE 274 CO 0.21 -1.34 1.15 0.96 0.70 0.00 0.00 175.22 176.90 3hv4 s ILE 275 N 1.41 4.36 0.00 0.64 -4.36 -1.26 -3.06 121.20 118.93 3hv4 s ILE 275 Ca 0.37 1.68 0.00 0.00 -0.26 0.00 0.00 60.65 62.44 3hv4 s ILE 275 Cb -0.05 -4.08 0.00 0.00 1.25 0.00 0.00 42.46 39.59 3hv4 s ILE 275 CO -0.04 0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3hv4 n GLY 276 N 3.25 0.57 3.89 6.27 0.00 -1.26 -5.03 105.19 112.86 3hv4 n GLY 276 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3hv4 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hv4 s ALA 277 N -2.37 3.14 0.09 4.61 0.00 -1.17 -5.02 121.76 121.04 3hv4 s ALA 277 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.36 3hv4 s ALA 277 Cb 0.00 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 3hv4 s ALA 277 CO 0.00 -0.72 1.81 1.21 0.00 0.00 0.00 175.76 178.06 3hv4 s ASN 278 N -4.22 6.47 0.37 0.00 3.84 -1.26 -4.87 114.94 115.27 3hv4 s ASN 278 Ca 0.54 2.68 0.21 0.00 0.21 0.00 0.00 52.86 56.50 3hv4 s ASN 278 Cb -0.11 -2.56 1.32 0.00 -0.55 0.00 0.00 41.25 39.35 3hv4 s ASN 278 CO 0.51 -0.99 1.60 -0.65 -2.79 0.00 0.00 177.10 174.78 3hv4 h PRO 279 N 8.90 0.06 -0.29 0.43 0.11 -1.97 0.46 132.00 139.70 3hv4 h PRO 279 Ca -0.46 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 3hv4 h PRO 279 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hv4 h PRO 279 CO 0.94 0.04 -0.49 -0.07 -0.21 0.00 0.00 178.00 178.21 3hv4 h LEU 280 N 0.06 0.89 -0.29 2.35 3.38 -1.99 -0.94 115.31 118.77 3hv4 h LEU 280 Ca 0.83 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 58.40 3hv4 h LEU 280 Cb 2.20 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 42.64 3hv4 h LEU 280 CO -0.71 1.23 -0.02 0.00 0.09 0.00 0.00 178.44 179.03 3hv4 h ALA 281 N 0.80 0.24 -0.10 1.53 0.00 -1.30 -1.49 119.26 118.94 3hv4 h ALA 281 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hv4 h ALA 281 Cb 1.08 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hv4 h ALA 281 CO 0.11 -0.43 0.01 0.28 0.00 0.00 0.00 179.25 179.22 3hv4 h VAL 282 N 0.06 0.94 -0.88 0.00 2.07 -1.17 0.22 116.25 117.50 3hv4 h VAL 282 Ca 0.14 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3hv4 h VAL 282 Cb 0.19 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3hv4 h VAL 282 CO -0.25 0.01 0.56 -0.78 0.02 0.00 0.00 177.57 177.12 3hv4 h ASP 283 N 0.05 0.89 -0.08 0.57 3.58 -1.03 -0.95 116.42 119.45 3hv4 h ASP 283 Ca 0.05 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 3hv4 h ASP 283 Cb 0.05 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 3hv4 h ASP 283 CO -0.07 0.57 -0.00 0.25 -2.88 0.00 0.00 179.24 177.11 3hv4 h LEU 284 N 1.02 0.13 -0.67 2.28 5.85 -0.31 -2.47 115.31 121.14 3hv4 h LEU 284 Ca 0.38 -0.32 0.14 0.00 0.84 0.00 0.00 57.88 58.93 3hv4 h LEU 284 Cb 0.14 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 3hv4 h LEU 284 CO -0.16 0.42 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.26 3hv4 h LEU 285 N -0.15 -0.35 -1.37 2.25 3.38 -0.41 0.17 115.31 118.82 3hv4 h LEU 285 Ca 0.02 0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.29 3hv4 h LEU 285 Cb 0.35 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 3hv4 h LEU 285 CO 0.00 -0.15 0.53 -0.33 0.09 0.00 0.00 178.44 178.58 3hv4 h GLU 286 N 0.09 0.64 0.00 1.13 4.39 -0.79 0.40 114.58 120.45 3hv4 h GLU 286 Ca 0.35 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3hv4 h GLU 286 Cb 0.59 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3hv4 h GLU 286 CO -0.60 0.42 0.00 0.87 -1.16 0.00 0.00 179.01 178.54 3hv4 h LYS 287 N 0.66 0.00 0.05 2.33 1.57 -0.26 -3.31 116.57 117.61 3hv4 h LYS 287 Ca 0.39 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.80 3hv4 h LYS 287 Cb 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 3hv4 h LYS 287 CO -0.16 0.00 -2.23 -1.33 -0.57 0.00 0.00 179.45 175.16 3hv4 n MET 288 N -3.01 0.68 -1.38 3.15 2.81 -0.02 -2.06 117.12 117.29 3hv4 n MET 288 Ca 0.03 0.23 -0.29 0.00 -1.81 0.00 0.00 57.70 55.85 3hv4 n MET 288 Cb 0.43 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.36 3hv4 n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3hv4 n LEU 289 N -3.49 7.05 -4.77 4.03 4.77 -0.31 -4.31 117.00 119.96 3hv4 n LEU 289 Ca -0.40 -4.09 -0.39 0.00 -0.03 0.00 0.00 56.01 51.09 3hv4 n LEU 289 Cb 0.99 -1.08 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 3hv4 n LEU 289 CO 0.30 1.53 0.40 -0.69 -1.33 0.00 0.00 177.39 177.61 3hv4 s VAL 290 N -3.58 4.68 0.12 4.08 1.01 -1.26 -4.90 120.40 120.56 3hv4 s VAL 290 Ca 0.52 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.81 3hv4 s VAL 290 Cb 0.39 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3hv4 s VAL 290 CO -0.15 0.45 1.72 0.25 0.00 0.00 0.00 175.10 177.37 3hv4 h LEU 291 N 5.15 0.35 -8.39 3.92 5.85 -1.91 -3.38 115.31 116.90 3hv4 h LEU 291 Ca -0.46 -0.09 -0.52 0.00 0.84 0.00 0.00 57.88 57.65 3hv4 h LEU 291 Cb 1.21 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 3hv4 h LEU 291 CO 0.68 0.34 1.17 -0.62 -0.34 0.00 0.00 178.44 179.67 3hv4 s ASP 292 N -5.57 5.85 0.51 1.25 2.15 -1.26 -4.87 116.67 114.73 3hv4 s ASP 292 Ca -0.13 -0.24 0.37 0.00 0.43 0.00 0.00 52.55 52.98 3hv4 s ASP 292 Cb 0.09 -2.55 1.53 0.00 -0.30 0.00 0.00 42.92 41.69 3hv4 s ASP 292 CO 0.71 -2.03 1.70 0.77 -0.17 0.00 0.00 175.17 176.16 3hv4 h SER 293 N 11.70 0.10 0.18 -0.34 4.64 -1.98 0.37 113.55 128.22 3hv4 h SER 293 Ca -0.24 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3hv4 h SER 293 Cb 1.08 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3hv4 h SER 293 CO 1.26 -0.03 -0.10 0.44 -0.87 0.00 0.00 176.83 177.54 3hv4 h ASP 294 N 0.06 0.00 -0.00 4.97 3.32 -1.94 -2.92 116.42 119.92 3hv4 h ASP 294 Ca 0.73 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.78 3hv4 h ASP 294 Cb 2.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.22 3hv4 h ASP 294 CO -0.12 0.10 -0.06 0.29 -1.72 0.00 0.00 179.24 177.72 3hv4 n LYS 295 N -4.02 1.84 -2.51 3.56 4.76 0.13 -4.95 118.16 116.98 3hv4 n LYS 295 Ca -0.02 -1.34 -0.36 0.00 -2.87 0.00 0.00 58.31 53.71 3hv4 n LYS 295 Cb 0.19 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 3hv4 n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hv4 s ARG 296 N -2.08 3.97 0.44 1.97 0.52 -1.10 -4.95 118.95 117.72 3hv4 s ARG 296 Ca 0.31 1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 56.77 3hv4 s ARG 296 Cb 0.20 -2.35 -0.08 0.00 0.52 0.00 0.00 34.95 33.24 3hv4 s ARG 296 CO 0.36 -0.31 1.21 -1.50 0.02 0.00 0.00 175.30 175.08 3hv4 s ILE 297 N -1.76 2.91 0.61 1.52 2.07 -0.88 -5.03 121.20 120.64 3hv4 s ILE 297 Ca 0.62 0.73 -0.03 0.00 -1.41 0.00 0.00 60.65 60.57 3hv4 s ILE 297 Cb -0.21 -3.39 0.04 0.00 0.13 0.00 0.00 42.46 39.03 3hv4 s ILE 297 CO 0.26 0.03 0.87 0.42 -1.91 0.00 0.00 174.94 174.61 3hv4 s THR 298 N -1.43 2.71 0.09 4.00 -4.23 -1.26 -4.90 115.64 110.63 3hv4 s THR 298 Ca 0.61 -0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 3hv4 s THR 298 Cb -0.32 -3.08 -0.14 0.00 1.34 0.00 0.00 72.50 70.30 3hv4 s THR 298 CO 0.40 -0.07 1.70 0.00 -0.54 0.00 0.00 174.62 176.11 3hv4 h ALA 299 N -0.19 -0.24 -0.69 3.99 0.00 -1.93 -0.42 119.26 119.78 3hv4 h ALA 299 Ca -0.44 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.56 3hv4 h ALA 299 Cb 1.30 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 3hv4 h ALA 299 CO 0.56 -0.65 0.22 0.00 0.00 0.00 0.00 179.25 179.39 3hv4 h ALA 300 N 0.58 0.91 -0.53 0.00 0.00 -1.93 -1.37 119.26 116.93 3hv4 h ALA 300 Ca -0.01 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3hv4 h ALA 300 Cb 0.23 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hv4 h ALA 300 CO -0.00 -0.26 -0.09 1.96 0.00 0.00 0.00 179.25 180.86 3hv4 h GLN 301 N 0.36 0.97 -0.76 0.00 4.20 -1.87 -3.05 115.11 114.95 3hv4 h GLN 301 Ca 0.38 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hv4 h GLN 301 Cb 0.57 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 3hv4 h GLN 301 CO -0.41 1.01 0.38 0.00 -0.67 0.00 0.00 178.83 179.14 3hv4 h ALA 302 N 1.02 0.98 -0.19 3.87 0.00 0.01 -2.63 119.26 122.33 3hv4 h ALA 302 Ca 0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hv4 h ALA 302 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hv4 h ALA 302 CO 0.04 0.53 0.16 -0.07 0.00 0.00 0.00 179.25 179.92 3hv4 h LEU 303 N 1.07 0.00 0.00 0.00 3.38 -1.28 -1.48 115.31 117.00 3hv4 h LEU 303 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hv4 h LEU 303 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3hv4 h LEU 303 CO -0.04 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.16 3hv4 h ALA 304 N 1.85 0.79 -2.81 1.53 0.00 -1.54 -3.43 119.26 115.65 3hv4 h ALA 304 Ca 0.09 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.46 3hv4 h ALA 304 Cb 0.41 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.36 3hv4 h ALA 304 CO -0.00 0.00 0.42 -1.58 0.00 0.00 0.00 179.25 178.09 3hv4 s HIS 305 N -3.16 2.01 -0.53 0.00 5.04 -0.56 -4.86 115.29 113.24 3hv4 s HIS 305 Ca 0.08 1.58 0.21 0.00 -1.54 0.00 0.00 55.06 55.39 3hv4 s HIS 305 Cb 0.12 -3.55 0.93 0.00 0.04 0.00 0.00 32.58 30.12 3hv4 s HIS 305 CO 0.67 -2.76 1.65 0.00 -2.34 0.00 0.00 174.74 171.97 3hv4 n ALA 306 N -2.55 1.57 0.15 1.58 0.00 -1.26 -2.39 120.51 117.61 3hv4 n ALA 306 Ca 0.14 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.77 3hv4 n ALA 306 Cb 0.50 -1.35 0.63 0.00 0.00 0.00 0.00 19.45 19.23 3hv4 n ALA 306 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3hv4 h TYR 307 N 0.00 0.06 -0.77 0.00 3.20 -1.89 -2.55 116.97 115.02 3hv4 h TYR 307 Ca 0.00 0.00 -0.44 0.00 3.14 0.00 0.00 58.73 61.43 3hv4 h TYR 307 Cb 0.29 -0.02 -0.25 0.00 1.54 0.00 0.00 36.73 38.29 3hv4 h TYR 307 CO 0.00 0.04 0.35 1.19 -1.64 0.00 0.00 178.16 178.10 3hv4 n PHE 308 N -4.49 2.44 -0.12 -3.82 3.01 -1.01 -4.68 117.46 108.79 3hv4 n PHE 308 Ca 0.02 -2.02 -0.03 0.00 1.01 0.00 0.00 57.45 56.43 3hv4 n PHE 308 Cb 0.25 -0.85 0.19 0.00 -0.01 0.00 0.00 39.48 39.05 3hv4 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hv4 h ALA 309 N 1.27 1.21 -0.45 4.37 0.00 -1.65 0.67 119.26 124.68 3hv4 h ALA 309 Ca 0.48 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.31 3hv4 h ALA 309 Cb 2.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 3hv4 h ALA 309 CO 0.94 0.54 0.32 0.37 0.00 0.00 0.00 179.25 181.43 3hv4 h GLN 310 N 0.79 0.03 0.00 0.00 5.75 -1.86 -3.34 115.11 116.47 3hv4 h GLN 310 Ca 0.17 -0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.51 3hv4 h GLN 310 Cb 0.31 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 3hv4 h GLN 310 CO 0.00 0.02 -1.61 0.66 -2.65 0.00 0.00 178.83 175.25 3hv4 n TYR 311 N -4.41 0.00 -1.47 3.99 4.02 -0.01 -5.05 117.16 114.23 3hv4 n TYR 311 Ca 0.08 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.52 3hv4 n TYR 311 Cb 0.51 -0.41 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 3hv4 n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3hv4 n HIS 312 N -2.81 0.04 -3.15 -0.72 -0.00 0.21 -5.00 115.22 103.79 3hv4 n HIS 312 Ca -0.19 0.78 0.05 0.00 0.46 0.00 0.00 57.72 58.81 3hv4 n HIS 312 Cb 0.70 -2.06 -0.00 0.00 -0.12 0.00 0.00 29.99 28.51 3hv4 n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3hv4 s ASP 313 N -0.83 -1.14 0.00 0.26 2.15 -1.26 -4.99 116.67 110.85 3hv4 s ASP 313 Ca 0.62 0.25 0.20 0.00 0.43 0.00 0.00 52.55 54.05 3hv4 s ASP 313 Cb -0.76 1.77 1.03 0.00 -0.30 0.00 0.00 42.92 44.66 3hv4 s ASP 313 CO 0.58 -0.21 1.64 -0.81 -0.17 0.00 0.00 175.17 176.20 3hv4 n PRO 314 N 5.34 0.29 0.00 4.34 -0.04 -1.26 -1.16 135.00 142.50 3hv4 n PRO 314 Ca 0.04 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 3hv4 n PRO 314 Cb 0.55 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.78 3hv4 n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hv4 n ASP 315 N -1.29 1.70 -2.57 3.54 10.43 -1.26 -4.14 116.55 122.97 3hv4 n ASP 315 Ca 0.10 -1.37 -0.07 0.00 2.57 0.00 0.00 54.79 56.01 3hv4 n ASP 315 Cb 0.16 0.17 0.04 0.00 1.84 0.00 0.00 41.12 43.33 3hv4 n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3hv4 n ASP 316 N 0.02 2.61 -3.24 -2.24 4.64 -0.31 -4.87 116.55 113.15 3hv4 n ASP 316 Ca 0.13 -2.56 -0.24 0.00 -1.38 0.00 0.00 54.79 50.74 3hv4 n ASP 316 Cb 0.42 -0.44 -0.07 0.00 -1.04 0.00 0.00 41.12 40.00 3hv4 n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3hv4 n GLU 317 N -0.63 1.51 -1.53 -0.67 1.02 -1.21 -4.91 120.64 114.23 3hv4 n GLU 317 Ca 0.18 -3.83 -0.31 0.00 -0.02 0.00 0.00 57.16 53.19 3hv4 n GLU 317 Cb 0.85 -1.68 0.06 0.00 -0.02 0.00 0.00 31.44 30.65 3hv4 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hv4 s PRO 318 N -1.91 2.79 0.31 3.49 0.04 -1.26 -4.97 135.00 133.48 3hv4 s PRO 318 Ca 0.38 1.03 0.07 0.00 0.04 0.00 0.00 61.00 62.52 3hv4 s PRO 318 Cb 0.19 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 3hv4 s PRO 318 CO -0.08 -1.22 0.35 0.14 0.04 0.00 0.00 177.00 176.23 3hv4 s VAL 319 N -2.96 4.13 0.47 -0.36 -7.23 -1.26 -4.26 120.40 108.93 3hv4 s VAL 319 Ca 0.59 -1.19 -0.19 0.00 -1.81 0.00 0.00 61.98 59.38 3hv4 s VAL 319 Cb -0.15 -3.40 -0.10 0.00 0.56 0.00 0.00 36.38 33.29 3hv4 s VAL 319 CO 0.54 -0.22 0.97 0.00 -0.31 0.00 0.00 175.10 176.07 3hv4 s ALA 320 N -2.18 3.04 0.69 1.32 0.00 -1.26 -5.03 121.76 118.34 3hv4 s ALA 320 Ca 0.40 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 3hv4 s ALA 320 Cb -0.08 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3hv4 s ALA 320 CO 0.28 -0.03 1.12 -0.51 0.00 0.00 0.00 175.76 176.62 3hv4 s ASP 321 N -2.53 4.83 0.13 0.00 -0.00 -1.26 -4.79 116.67 113.05 3hv4 s ASP 321 Ca 0.61 2.05 -0.34 0.00 -0.00 0.00 0.00 52.55 54.87 3hv4 s ASP 321 Cb -0.10 -2.55 -0.17 0.00 -0.00 0.00 0.00 42.92 40.10 3hv4 s ASP 321 CO 0.21 -1.82 1.06 -2.65 -0.00 0.00 0.00 175.17 171.96 3hv4 n PRO 322 N -2.64 0.72 -4.07 8.23 -0.02 -1.26 -4.88 135.00 131.08 3hv4 n PRO 322 Ca 0.11 0.26 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 3hv4 n PRO 322 Cb 0.52 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.16 3hv4 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hv4 s TYR 323 N -0.22 3.14 -0.50 6.00 5.04 -1.26 -5.08 117.35 124.46 3hv4 s TYR 323 Ca 0.77 -2.19 -0.27 0.00 -2.44 0.00 0.00 57.07 52.93 3hv4 s TYR 323 Cb -0.97 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 3hv4 s TYR 323 CO 0.54 -0.86 1.76 0.34 -1.34 0.00 0.00 175.55 175.98 3hv4 s ASP 324 N 1.15 5.65 0.00 4.32 -1.08 -1.26 -4.87 116.67 120.57 3hv4 s ASP 324 Ca -0.07 0.69 0.23 0.00 -0.52 0.00 0.00 52.55 52.89 3hv4 s ASP 324 Cb -0.19 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.16 3hv4 s ASP 324 CO -0.06 -2.01 1.40 0.00 0.52 0.00 0.00 175.17 175.01 3hv4 n GLN 325 N 8.79 2.49 0.20 4.34 6.02 -1.26 -4.66 117.38 133.30 3hv4 n GLN 325 Ca 0.20 -2.25 0.18 0.00 -0.01 0.00 0.00 57.00 55.12 3hv4 n GLN 325 Cb 0.50 -1.51 0.79 0.00 1.02 0.00 0.00 30.24 31.04 3hv4 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hv4 h SER 326 N 4.47 0.00 0.04 1.08 4.64 -2.02 -0.84 113.55 120.93 3hv4 h SER 326 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hv4 h SER 326 Cb 0.98 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3hv4 h SER 326 CO 0.00 0.00 -0.04 2.19 -0.87 0.00 0.00 176.83 178.11 3hv4 h PHE 327 N 0.00 0.00 -0.15 4.77 -0.00 -1.97 -2.69 116.94 116.90 3hv4 h PHE 327 Ca 0.10 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.12 3hv4 h PHE 327 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.78 3hv4 h PHE 327 CO 0.00 0.04 0.11 0.93 -0.00 0.00 0.00 178.31 179.38 3hv4 h GLU 328 N 0.00 0.00 -0.43 6.09 4.39 -1.53 -1.83 114.58 121.28 3hv4 h GLU 328 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hv4 h GLU 328 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3hv4 h GLU 328 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 3hv4 n SER 329 N -4.47 4.16 -4.90 1.42 3.41 -1.01 -4.92 113.62 107.31 3hv4 n SER 329 Ca 0.01 -2.63 -0.34 0.00 -0.26 0.00 0.00 58.87 55.64 3hv4 n SER 329 Cb 0.23 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 3hv4 n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hv4 s ARG 330 N -2.16 3.45 -0.44 4.33 0.52 -0.69 -5.08 118.95 118.89 3hv4 s ARG 330 Ca 0.42 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.32 3hv4 s ARG 330 Cb 0.30 -3.12 0.11 0.00 0.52 0.00 0.00 34.95 32.77 3hv4 s ARG 330 CO 0.16 0.70 0.26 -0.51 0.02 0.00 0.00 175.30 175.92 3hv4 s ASP 331 N -1.70 5.41 0.44 0.23 1.01 -1.26 -5.05 116.67 115.75 3hv4 s ASP 331 Ca 0.24 -2.01 0.07 0.00 0.71 0.00 0.00 52.55 51.56 3hv4 s ASP 331 Cb -0.13 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 3hv4 s ASP 331 CO 0.15 -0.59 0.29 -0.76 0.21 0.00 0.00 175.17 174.46 3hv4 s LEU 332 N 1.19 3.13 0.16 1.23 1.43 -1.26 -5.12 118.68 119.44 3hv4 s LEU 332 Ca 0.08 -1.00 -0.26 0.00 -1.03 0.00 0.00 54.13 51.92 3hv4 s LEU 332 Cb -0.24 -1.61 -0.08 0.00 0.03 0.00 0.00 46.19 44.30 3hv4 s LEU 332 CO -0.03 -0.68 0.79 -0.76 0.23 0.00 0.00 176.35 175.90 3hv4 s LEU 333 N -4.05 4.58 0.22 1.79 1.02 -1.26 -4.95 118.68 116.04 3hv4 s LEU 333 Ca 0.42 1.66 -0.07 0.00 0.02 0.00 0.00 54.13 56.15 3hv4 s LEU 333 Cb 0.00 -3.32 0.34 0.00 0.02 0.00 0.00 46.19 43.23 3hv4 s LEU 333 CO 0.24 0.18 1.24 -0.38 0.02 0.00 0.00 176.35 177.65 3hv4 n ILE 334 N 1.74 -0.34 0.25 -0.59 5.41 -1.26 -0.02 119.36 124.54 3hv4 n ILE 334 Ca -0.05 1.82 0.08 0.00 1.00 0.00 0.00 62.75 65.60 3hv4 n ILE 334 Cb 0.49 -2.51 0.62 0.00 -0.71 0.00 0.00 39.64 37.53 3hv4 n ILE 334 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hv4 h ASP 335 N 0.00 0.00 -0.08 4.38 3.45 -1.94 -0.16 116.42 122.06 3hv4 h ASP 335 Ca 0.37 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.77 3hv4 h ASP 335 Cb 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3hv4 h ASP 335 CO -0.81 0.08 -0.16 -0.33 -1.57 0.00 0.00 179.24 176.44 3hv4 h GLU 336 N 0.00 0.25 -0.70 3.56 5.08 -0.83 0.15 114.58 122.10 3hv4 h GLU 336 Ca -0.00 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3hv4 h GLU 336 Cb 0.14 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3hv4 h GLU 336 CO 0.01 0.76 0.46 -1.49 -1.00 0.00 0.00 179.01 177.75 3hv4 h TRP 337 N -0.22 0.77 -0.11 4.33 -0.00 -1.05 0.57 115.95 120.24 3hv4 h TRP 337 Ca 0.00 0.02 -0.06 0.00 -0.00 0.00 0.00 58.89 58.85 3hv4 h TRP 337 Cb 0.75 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.16 29.66 3hv4 h TRP 337 CO 0.11 0.43 -0.16 -0.22 -0.00 0.00 0.00 178.44 178.60 3hv4 h LYS 338 N 0.78 0.30 -0.56 0.49 3.64 -0.85 -1.09 116.57 119.27 3hv4 h LYS 338 Ca 0.29 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 3hv4 h LYS 338 Cb 0.16 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3hv4 h LYS 338 CO -0.09 0.75 0.23 1.03 -2.27 0.00 0.00 179.45 179.11 3hv4 h SER 339 N -0.13 0.28 -0.60 4.20 0.87 -0.24 0.16 113.55 118.10 3hv4 h SER 339 Ca 0.01 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3hv4 h SER 339 Cb 0.72 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 3hv4 h SER 339 CO 0.04 0.18 0.15 -0.07 -0.53 0.00 0.00 176.83 176.60 3hv4 h LEU 340 N 0.44 0.90 -1.10 2.23 3.38 -0.77 -0.30 115.31 120.09 3hv4 h LEU 340 Ca 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hv4 h LEU 340 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3hv4 h LEU 340 CO -0.24 0.89 0.30 0.74 0.09 0.00 0.00 178.44 180.21 3hv4 h THR 341 N 0.86 1.22 -0.02 0.22 2.02 -0.75 -2.54 112.91 113.92 3hv4 h THR 341 Ca 0.19 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3hv4 h THR 341 Cb 0.34 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3hv4 h THR 341 CO 0.00 0.26 0.01 0.22 0.37 0.00 0.00 175.52 176.38 3hv4 h TYR 342 N 0.93 0.02 -0.97 3.16 3.20 0.91 -1.29 116.97 122.92 3hv4 h TYR 342 Ca 0.23 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.30 3hv4 h TYR 342 Cb 0.12 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.29 3hv4 h TYR 342 CO 0.01 0.02 0.62 -0.44 -1.64 0.00 0.00 178.16 176.72 3hv4 h ASP 343 N 0.03 0.61 0.75 -2.11 3.32 -0.90 0.16 116.42 118.28 3hv4 h ASP 343 Ca 0.01 0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.92 3hv4 h ASP 343 Cb -0.00 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3hv4 h ASP 343 CO -0.00 0.22 -0.95 -0.33 -1.72 0.00 0.00 179.24 176.46 3hv4 h GLU 344 N 0.59 0.11 0.68 3.56 4.39 -1.03 0.92 114.58 123.81 3hv4 h GLU 344 Ca 0.54 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 60.06 3hv4 h GLU 344 Cb 1.07 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3hv4 h GLU 344 CO -0.29 0.97 -0.33 0.28 -1.16 0.00 0.00 179.01 178.48 3hv4 h VAL 345 N 0.05 0.11 -0.80 3.13 2.07 -0.55 -3.04 116.25 117.22 3hv4 h VAL 345 Ca -0.04 -0.30 0.19 0.00 0.82 0.00 0.00 66.70 67.37 3hv4 h VAL 345 Cb 1.63 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 31.40 3hv4 h VAL 345 CO 0.14 0.01 0.02 0.40 0.02 0.00 0.00 177.57 178.16 3hv4 h ILE 346 N -1.18 0.29 -0.14 4.57 1.08 -0.67 -2.08 117.51 119.38 3hv4 h ILE 346 Ca -0.09 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3hv4 h ILE 346 Cb 0.72 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3hv4 h ILE 346 CO 0.15 0.02 0.00 -1.54 -0.69 0.00 0.00 178.15 176.09 3hv4 n SER 347 N -5.36 1.19 -4.73 1.72 3.41 0.31 -4.92 113.62 105.24 3hv4 n SER 347 Ca 0.15 -1.69 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 3hv4 n SER 347 Cb 0.52 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 3hv4 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hv4 s PHE 348 N -1.82 2.98 -0.22 7.33 5.36 -0.79 -5.00 117.98 125.82 3hv4 s PHE 348 Ca 0.28 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 56.98 3hv4 s PHE 348 Cb 0.15 -3.95 0.04 0.00 -0.34 0.00 0.00 43.02 38.91 3hv4 s PHE 348 CO 0.22 -3.40 -0.15 0.08 -1.46 0.00 0.00 175.22 170.52 3hv4 s VAL 349 N 0.69 2.17 0.72 3.12 1.01 -1.26 -5.10 120.40 121.75 3hv4 s VAL 349 Ca 0.67 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 3hv4 s VAL 349 Cb -0.45 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3hv4 s VAL 349 CO 0.37 0.24 1.21 -2.16 0.00 0.00 0.00 175.10 174.75 3hv4 s PRO 350 N 1.20 2.20 0.53 2.72 0.04 -1.26 -4.98 135.00 135.44 3hv4 s PRO 350 Ca -0.02 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 3hv4 s PRO 350 Cb -0.17 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 3hv4 s PRO 350 CO -0.08 -1.79 1.06 -1.25 0.04 0.00 0.00 177.00 174.98 3hv4 s PRO 351 N -3.88 3.54 0.00 0.56 0.04 -1.26 -5.16 135.00 128.84 3hv4 s PRO 351 Ca 0.75 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.15 3hv4 s PRO 351 Cb -0.29 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3hv4 s PRO 351 CO 0.45 -0.65 0.33 -0.35 0.04 0.00 0.00 177.00 176.82