#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hv4 s PRO 6 N 0.00 0.62 0.02 5.56 0.04 -1.26 -5.04 135.00 134.93 3hv4 s PRO 6 Ca 0.00 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 61.68 3hv4 s PRO 6 Cb 0.00 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 3hv4 s PRO 6 CO 0.00 -2.68 0.51 0.99 0.04 0.00 0.00 177.00 175.86 3hv4 s THR 7 N -2.82 4.91 -0.09 1.26 2.01 -1.26 -4.99 115.64 114.65 3hv4 s THR 7 Ca 0.65 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.72 3hv4 s THR 7 Cb -0.20 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3hv4 s THR 7 CO 0.59 0.52 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.55 3hv4 s PHE 8 N -0.77 2.80 -0.13 4.92 0.40 -1.26 -1.56 117.98 122.38 3hv4 s PHE 8 Ca 0.27 -0.35 -0.02 0.00 -0.60 0.00 0.00 56.93 56.23 3hv4 s PHE 8 Cb -0.18 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3hv4 s PHE 8 CO 0.16 0.02 -0.07 1.52 0.70 0.00 0.00 175.22 177.55 3hv4 s TYR 9 N -0.20 2.94 0.41 0.36 -0.85 -0.83 -4.94 117.35 114.23 3hv4 s TYR 9 Ca 0.01 -0.36 -0.15 0.00 -0.52 0.00 0.00 57.07 56.04 3hv4 s TYR 9 Cb -0.13 -1.89 -0.08 0.00 0.38 0.00 0.00 41.96 40.24 3hv4 s TYR 9 CO 0.03 -0.04 0.84 0.50 -1.52 0.00 0.00 175.55 175.36 3hv4 s ARG 10 N 0.19 3.97 0.00 -3.49 3.52 -1.26 -2.98 118.95 118.91 3hv4 s ARG 10 Ca -0.04 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 3hv4 s ARG 10 Cb -0.14 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 30.94 3hv4 s ARG 10 CO 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 175.30 174.50 3hv4 n GLN 11 N -0.94 0.00 -3.77 5.12 10.64 -1.06 -4.99 117.38 122.38 3hv4 n GLN 11 Ca 0.05 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.09 3hv4 n GLN 11 Cb 0.54 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.80 3hv4 n GLN 11 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 3hv4 s GLU 12 N -1.55 0.29 -0.16 2.61 2.12 -1.26 -1.76 118.70 119.00 3hv4 s GLU 12 Ca 0.00 0.41 -0.06 0.00 0.36 0.00 0.00 54.97 55.68 3hv4 s GLU 12 Cb 0.00 0.10 0.07 0.00 0.26 0.00 0.00 34.13 34.56 3hv4 s GLU 12 CO 0.00 -0.06 0.33 -0.51 -0.54 0.00 0.00 175.26 174.48 3hv4 s LEU 13 N 0.36 -0.36 -1.07 2.70 1.43 0.34 -4.95 118.68 117.13 3hv4 s LEU 13 Ca -0.02 0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 53.65 3hv4 s LEU 13 Cb -0.03 1.00 0.01 0.00 0.03 0.00 0.00 46.19 47.19 3hv4 s LEU 13 CO -0.01 -0.23 0.73 0.59 0.23 0.00 0.00 176.35 177.66 3hv4 n ASN 14 N 5.19 -5.21 -0.91 2.29 5.03 -1.26 -1.04 115.26 119.35 3hv4 n ASN 14 Ca -0.10 -0.99 -0.10 0.00 0.87 0.00 0.00 54.58 54.26 3hv4 n ASN 14 Cb 0.50 -2.87 -0.04 0.00 -1.02 0.00 0.00 39.78 36.35 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 -3.92 -1.59 -4.70 3.52 -0.00 -1.26 -4.96 118.16 105.25 3hv4 n LYS 15 Ca -0.13 0.72 -0.23 0.00 -0.00 0.00 0.00 58.31 58.67 3hv4 n LYS 15 Cb 0.59 -4.90 -0.15 0.00 -0.00 0.00 0.00 35.03 30.57 3hv4 n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hv4 s THR 16 N -1.74 1.25 0.44 0.58 2.01 -0.20 -5.14 115.64 112.84 3hv4 s THR 16 Ca 0.00 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 3hv4 s THR 16 Cb 0.00 -1.05 -0.10 0.00 0.01 0.00 0.00 72.50 71.36 3hv4 s THR 16 CO 0.00 0.31 0.99 -0.63 -0.69 0.00 0.00 174.62 174.60 3hv4 s ILE 17 N -0.44 4.10 -0.30 1.82 -1.09 -1.26 -0.51 121.20 123.53 3hv4 s ILE 17 Ca 0.06 1.36 -0.03 0.00 -2.23 0.00 0.00 60.65 59.81 3hv4 s ILE 17 Cb -0.06 -3.58 0.11 0.00 -1.58 0.00 0.00 42.46 37.35 3hv4 s ILE 17 CO -0.00 -0.23 0.16 0.26 -1.23 0.00 0.00 174.94 173.89 3hv4 s TRP 18 N -2.03 0.26 -0.44 3.97 0.52 -0.72 -4.89 118.94 115.62 3hv4 s TRP 18 Ca 0.63 -0.88 -0.08 0.00 0.02 0.00 0.00 56.10 55.79 3hv4 s TRP 18 Cb -0.13 -0.84 0.10 0.00 -1.15 0.00 0.00 33.47 31.44 3hv4 s TRP 18 CO 0.17 -0.84 0.28 -2.00 0.02 0.00 0.00 176.95 174.59 3hv4 s GLU 19 N 2.01 2.49 0.06 4.98 2.12 -1.26 -2.57 118.70 126.53 3hv4 s GLU 19 Ca 0.10 -1.62 0.07 0.00 0.36 0.00 0.00 54.97 53.88 3hv4 s GLU 19 Cb -0.16 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 3hv4 s GLU 19 CO -0.32 -1.06 -0.19 0.08 -0.54 0.00 0.00 175.26 173.23 3hv4 s VAL 20 N 1.37 1.56 1.03 3.70 1.01 -1.16 -4.63 120.40 123.28 3hv4 s VAL 20 Ca 0.04 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 3hv4 s VAL 20 Cb -0.24 -1.39 0.18 0.00 0.00 0.00 0.00 36.38 34.92 3hv4 s VAL 20 CO 0.00 0.07 0.88 -2.65 0.00 0.00 0.00 175.10 173.41 3hv4 n PRO 21 N 1.60 -1.23 0.21 2.72 -0.02 -1.26 -1.97 135.00 135.05 3hv4 n PRO 21 Ca -0.18 -0.31 0.15 0.00 -2.02 0.00 0.00 63.50 61.13 3hv4 n PRO 21 Cb 0.54 -2.17 0.54 0.00 -0.02 0.00 0.00 33.50 32.39 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 -2.14 0.00 0.00 -0.52 5.08 -1.67 -3.22 114.58 112.11 3hv4 h GLU 22 Ca -0.50 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 3hv4 h GLU 22 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3hv4 h GLU 22 CO 0.42 0.00 -0.16 0.07 -1.00 0.00 0.00 179.01 178.35 3hv4 h ARG 23 N 0.00 0.00 -5.14 2.33 0.11 -1.90 -3.41 114.38 106.37 3hv4 h ARG 23 Ca 0.00 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.46 3hv4 h ARG 23 Cb 0.54 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.46 3hv4 h ARG 23 CO 0.00 0.16 -0.54 0.71 0.10 0.00 0.00 179.97 180.40 3hv4 s TYR 24 N -4.03 3.26 0.38 4.08 1.51 -1.22 -0.47 117.35 120.88 3hv4 s TYR 24 Ca -0.02 0.08 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 3hv4 s TYR 24 Cb 0.12 -2.19 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 3hv4 s TYR 24 CO 0.60 0.04 0.04 -0.65 -1.11 0.00 0.00 175.55 174.47 3hv4 s GLN 25 N 0.88 1.85 -1.17 -0.62 -1.52 -0.61 -4.88 119.66 113.60 3hv4 s GLN 25 Ca 0.06 -2.06 -0.17 0.00 -1.95 0.00 0.00 55.36 51.24 3hv4 s GLN 25 Cb -0.13 -1.24 -0.01 0.00 -0.22 0.00 0.00 33.01 31.41 3hv4 s GLN 25 CO 0.03 -0.17 0.76 0.09 -0.25 0.00 0.00 175.29 175.75 3hv4 n ASN 26 N -0.91 -4.57 -4.55 5.90 4.13 -1.26 -1.24 115.26 112.76 3hv4 n ASN 26 Ca -0.05 -0.99 -0.35 0.00 1.68 0.00 0.00 54.58 54.87 3hv4 n ASN 26 Cb 0.67 -3.49 -0.04 0.00 -1.54 0.00 0.00 39.78 35.38 3hv4 n ASN 26 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hv4 s LEU 27 N -6.49 3.25 -0.39 3.41 1.02 -1.26 -4.21 118.68 114.01 3hv4 s LEU 27 Ca 0.39 -0.21 -0.17 0.00 0.02 0.00 0.00 54.13 54.16 3hv4 s LEU 27 Cb -0.13 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.54 3hv4 s LEU 27 CO 0.85 -2.40 0.43 -0.55 0.02 0.00 0.00 176.35 174.71 3hv4 s SER 28 N 7.48 6.21 0.39 2.29 0.15 0.05 -4.91 113.70 125.36 3hv4 s SER 28 Ca 0.64 -0.43 -0.26 0.00 0.70 0.00 0.00 55.95 56.61 3hv4 s SER 28 Cb -0.09 -2.23 -0.11 0.00 -1.71 0.00 0.00 66.02 61.88 3hv4 s SER 28 CO 0.11 -0.50 1.10 -2.65 1.20 0.00 0.00 173.24 172.50 3hv4 n PRO 29 N 5.58 1.58 0.00 5.44 -0.02 -1.26 0.47 135.00 146.78 3hv4 n PRO 29 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3hv4 n PRO 29 Cb 0.48 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3hv4 n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hv4 n VAL 30 N -0.21 0.03 0.00 -1.45 0.24 0.61 -4.76 118.33 112.80 3hv4 n VAL 30 Ca 0.08 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3hv4 n VAL 30 Cb 0.38 1.65 0.00 0.00 -1.47 0.00 0.00 33.84 34.39 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 -0.02 1.16 3.62 7.63 0.00 -1.17 -4.97 105.19 111.43 3hv4 n GLY 31 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.25 0.00 1.61 0.15 -1.26 -1.35 113.70 112.60 3hv4 s SER 32 Ca 0.00 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.08 3hv4 s SER 32 Cb 0.00 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 3hv4 s SER 32 CO 0.00 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 173.91 3hv4 n GLY 33 N -0.38 -0.89 0.23 9.45 0.00 -0.98 -4.75 105.19 107.86 3hv4 n GLY 33 Ca -0.07 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.72 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 1.00 0.00 4.61 0.00 -1.82 -2.91 119.26 120.14 3hv4 h ALA 34 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hv4 h ALA 34 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hv4 h ALA 34 CO 0.00 0.00 -1.71 0.66 0.00 0.00 0.00 179.25 178.20 3hv4 n TYR 35 N -2.80 0.37 0.00 0.00 0.53 -0.63 -4.57 117.16 110.06 3hv4 n TYR 35 Ca 0.01 0.11 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 3hv4 n TYR 35 Cb 0.26 -0.75 0.00 0.00 -1.03 0.00 0.00 39.34 37.82 3hv4 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hv4 n GLY 36 N 1.31 -0.70 3.29 2.72 0.00 -1.10 -2.38 105.19 108.33 3hv4 n GLY 36 Ca -0.07 -1.34 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 2.62 -0.09 1.61 0.01 -0.84 -2.33 113.70 114.67 3hv4 s SER 37 Ca 0.00 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.60 3hv4 s SER 37 Cb 0.00 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.09 3hv4 s SER 37 CO 0.00 0.08 -0.15 -0.69 0.41 0.00 0.00 173.24 172.89 3hv4 s VAL 38 N -1.12 1.41 -0.13 3.43 1.01 -0.46 -1.21 120.40 123.33 3hv4 s VAL 38 Ca 0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3hv4 s VAL 38 Cb -0.10 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3hv4 s VAL 38 CO 0.04 0.42 0.03 0.00 0.00 0.00 0.00 175.10 175.59 3hv4 s ALA 40 N -0.34 2.91 0.22 0.00 0.00 0.18 -1.38 121.76 123.34 3hv4 s ALA 40 Ca 0.08 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 3hv4 s ALA 40 Cb -0.12 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.68 3hv4 s ALA 40 CO 0.02 -0.62 0.65 0.00 0.00 0.00 0.00 175.76 175.81 3hv4 s ALA 41 N -1.64 -1.37 -0.25 0.00 0.00 0.18 -0.77 121.76 117.91 3hv4 s ALA 41 Ca 0.66 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3hv4 s ALA 41 Cb -0.26 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 3hv4 s ALA 41 CO 0.31 -0.91 0.01 0.12 0.00 0.00 0.00 175.76 175.29 3hv4 s PHE 42 N -3.84 3.04 -0.80 0.00 5.36 -0.38 -0.37 117.98 121.00 3hv4 s PHE 42 Ca 0.06 -0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 54.87 3hv4 s PHE 42 Cb -0.03 -2.16 0.06 0.00 -0.34 0.00 0.00 43.02 40.54 3hv4 s PHE 42 CO -0.02 -0.54 1.22 0.34 -1.46 0.00 0.00 175.22 174.75 3hv4 s ASP 43 N 1.49 6.29 0.32 6.13 2.15 -0.26 -1.57 116.67 131.21 3hv4 s ASP 43 Ca 0.04 -0.98 0.09 0.00 0.43 0.00 0.00 52.55 52.14 3hv4 s ASP 43 Cb -0.15 -2.51 0.90 0.00 -0.30 0.00 0.00 42.92 40.86 3hv4 s ASP 43 CO -0.01 -1.58 1.71 0.71 -0.17 0.00 0.00 175.17 175.83 3hv4 h THR 44 N 6.16 0.47 0.00 1.71 1.35 -1.07 1.14 112.91 122.66 3hv4 h THR 44 Ca -0.13 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 3hv4 h THR 44 Cb 1.04 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3hv4 h THR 44 CO 1.27 0.09 0.00 0.50 -0.25 0.00 0.00 175.52 177.13 3hv4 h LYS 45 N 0.48 0.00 0.00 4.72 3.64 -1.91 -3.32 116.57 120.19 3hv4 h LYS 45 Ca 0.65 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 3hv4 h LYS 45 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3hv4 h LYS 45 CO -0.52 0.00 -0.22 0.25 -2.27 0.00 0.00 179.45 176.69 3hv4 n THR 46 N -2.99 0.00 0.00 1.00 -2.24 -0.46 -5.03 114.28 104.57 3hv4 n THR 46 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3hv4 n THR 46 Cb 0.21 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.58 2.70 3.77 3.38 0.00 0.38 -5.02 105.19 110.98 3hv4 n GLY 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 4.00 0.49 0.99 1.43 -1.25 -4.76 118.68 119.58 3hv4 s LEU 48 Ca 0.00 2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 3hv4 s LEU 48 Cb 0.00 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 41.89 3hv4 s LEU 48 CO 0.00 -0.96 1.04 -0.13 0.23 0.00 0.00 176.35 176.53 3hv4 s ARG 49 N -2.72 3.77 0.04 1.70 0.52 -1.26 -1.11 118.95 119.89 3hv4 s ARG 49 Ca 0.64 1.38 0.01 0.00 -0.52 0.00 0.00 55.73 57.23 3hv4 s ARG 49 Cb -0.29 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 3hv4 s ARG 49 CO 0.35 -0.46 -0.05 0.14 0.02 0.00 0.00 175.30 175.30 3hv4 s VAL 50 N -1.97 0.32 -0.21 3.52 -7.23 0.50 -1.82 120.40 113.51 3hv4 s VAL 50 Ca 0.68 -1.23 -0.07 0.00 -1.81 0.00 0.00 61.98 59.54 3hv4 s VAL 50 Cb -0.17 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 3hv4 s VAL 50 CO 0.20 -0.59 0.07 0.00 -0.31 0.00 0.00 175.10 174.47 3hv4 s ALA 51 N -2.10 3.29 -0.25 1.32 0.00 0.10 -0.65 121.76 123.47 3hv4 s ALA 51 Ca -0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3hv4 s ALA 51 Cb -0.05 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.08 3hv4 s ALA 51 CO -0.03 -0.14 -0.03 0.08 0.00 0.00 0.00 175.76 175.65 3hv4 s VAL 52 N 0.97 3.16 -0.21 0.00 1.01 -0.48 -0.84 120.40 124.01 3hv4 s VAL 52 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3hv4 s VAL 52 Cb -0.14 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3hv4 s VAL 52 CO 0.03 0.20 0.06 -0.75 0.00 0.00 0.00 175.10 174.64 3hv4 s LYS 53 N 1.38 3.80 -0.30 2.72 2.20 0.32 -1.98 119.74 127.88 3hv4 s LYS 53 Ca 0.01 -0.42 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 3hv4 s LYS 53 Cb -0.16 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.88 3hv4 s LYS 53 CO -0.03 0.05 0.19 0.21 -0.36 0.00 0.00 175.35 175.41 3hv4 s LYS 54 N 0.97 3.68 0.45 4.03 2.20 -0.35 0.38 119.74 131.09 3hv4 s LYS 54 Ca 0.04 -0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 54.91 3hv4 s LYS 54 Cb -0.14 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 3hv4 s LYS 54 CO 0.03 -0.30 1.17 -0.51 -0.36 0.00 0.00 175.35 175.38 3hv4 s LEU 55 N 1.71 4.05 -0.21 5.43 1.43 -1.04 -1.99 118.68 128.06 3hv4 s LEU 55 Ca 0.06 2.32 -0.18 0.00 -1.03 0.00 0.00 54.13 55.30 3hv4 s LEU 55 Cb -0.16 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 3hv4 s LEU 55 CO 0.09 -0.87 0.52 -0.55 0.23 0.00 0.00 176.35 175.77 3hv4 s SER 56 N -1.30 6.54 -1.42 2.29 0.15 -1.00 -4.39 113.70 114.56 3hv4 s SER 56 Ca 0.62 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.88 3hv4 s SER 56 Cb -0.29 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3hv4 s SER 56 CO 0.36 -0.20 0.32 0.54 1.20 0.00 0.00 173.24 175.46 3hv4 n ARG 57 N 4.92 -2.21 -0.35 5.44 1.74 -1.26 -4.83 116.66 120.11 3hv4 n ARG 57 Ca -0.05 0.28 0.26 0.00 -0.77 0.00 0.00 57.85 57.58 3hv4 n ARG 57 Cb 0.50 -4.07 0.54 0.00 -1.02 0.00 0.00 32.46 28.41 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 -1.88 0.31 0.00 5.56 0.13 -1.77 -1.93 132.00 132.42 3hv4 h PRO 58 Ca -0.65 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 3hv4 h PRO 58 Cb 1.38 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3hv4 h PRO 58 CO 0.64 0.21 -0.04 1.19 -0.23 0.00 0.00 178.00 179.77 3hv4 n PHE 59 N -4.68 0.00 0.82 1.56 3.72 -1.26 -2.45 117.46 115.17 3hv4 n PHE 59 Ca 0.29 -0.67 0.12 0.00 -0.05 0.00 0.00 57.45 57.14 3hv4 n PHE 59 Cb 1.01 -0.09 0.52 0.00 -0.94 0.00 0.00 39.48 39.98 3hv4 n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hv4 n GLN 60 N -0.87 0.04 -4.17 -1.08 6.02 -0.73 -4.83 117.38 111.76 3hv4 n GLN 60 Ca 0.08 0.10 -0.16 0.00 -0.01 0.00 0.00 57.00 57.00 3hv4 n GLN 60 Cb 0.48 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 30.12 3hv4 n GLN 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3hv4 s SER 61 N -3.25 1.16 -0.11 1.08 1.04 -1.26 -5.05 113.70 107.31 3hv4 s SER 61 Ca 0.12 -1.58 -0.27 0.00 0.48 0.00 0.00 55.95 54.69 3hv4 s SER 61 Cb 0.16 0.60 -0.26 0.00 0.10 0.00 0.00 66.02 66.62 3hv4 s SER 61 CO 0.48 -1.17 0.87 -0.29 0.98 0.00 0.00 173.24 174.10 3hv4 h ILE 62 N 2.15 1.69 -0.36 -1.02 6.09 -1.95 -2.46 117.51 121.66 3hv4 h ILE 62 Ca -0.27 -2.19 0.07 0.00 -1.37 0.00 0.00 64.86 61.11 3hv4 h ILE 62 Cb 1.24 3.16 -0.02 0.00 0.47 0.00 0.00 36.82 41.67 3hv4 h ILE 62 CO 0.39 0.58 0.25 0.40 -3.07 0.00 0.00 178.15 176.69 3hv4 h ILE 63 N -0.82 0.90 -0.02 2.19 2.04 -1.98 0.51 117.51 120.33 3hv4 h ILE 63 Ca -0.02 -0.05 -0.25 0.00 1.00 0.00 0.00 64.86 65.54 3hv4 h ILE 63 Cb 1.01 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3hv4 h ILE 63 CO 0.02 0.03 -0.98 0.45 0.00 0.00 0.00 178.15 177.67 3hv4 h HIS 64 N 0.15 0.91 -0.85 1.37 3.86 -1.82 -2.16 115.15 116.61 3hv4 h HIS 64 Ca 0.16 -0.48 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 3hv4 h HIS 64 Cb 0.46 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 3hv4 h HIS 64 CO -0.00 1.31 0.47 0.00 0.86 0.00 0.00 177.93 180.58 3hv4 h ALA 65 N 0.53 1.23 0.24 2.45 0.00 -0.66 -1.62 119.26 121.44 3hv4 h ALA 65 Ca -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hv4 h ALA 65 Cb 1.62 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hv4 h ALA 65 CO 0.19 0.63 -0.12 0.87 0.00 0.00 0.00 179.25 180.82 3hv4 h LYS 66 N 1.18 -0.31 -0.86 0.00 1.57 -0.92 -2.93 116.57 114.30 3hv4 h LYS 66 Ca 0.30 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.27 3hv4 h LYS 66 Cb 0.01 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 3hv4 h LYS 66 CO -0.05 0.01 0.41 0.00 -0.57 0.00 0.00 179.45 179.25 3hv4 h ARG 67 N -0.66 0.51 0.14 3.15 3.08 -1.31 -0.44 114.38 118.85 3hv4 h ARG 67 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3hv4 h ARG 67 Cb 0.47 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hv4 h ARG 67 CO 0.05 0.34 -0.07 1.15 -1.07 0.00 0.00 179.97 180.37 3hv4 h THR 68 N 0.52 1.01 -0.83 2.04 2.02 -1.30 -1.54 112.91 114.83 3hv4 h THR 68 Ca 0.49 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.95 3hv4 h THR 68 Cb 0.80 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 3hv4 h THR 68 CO -0.43 0.18 0.52 0.22 0.37 0.00 0.00 175.52 176.38 3hv4 h TYR 69 N -0.57 0.96 0.87 3.16 5.03 -1.29 -2.64 116.97 122.49 3hv4 h TYR 69 Ca -0.02 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 3hv4 h TYR 69 Cb 0.44 -0.31 0.01 0.00 1.55 0.00 0.00 36.73 38.41 3hv4 h TYR 69 CO 0.04 0.51 -0.42 -0.09 -1.32 0.00 0.00 178.16 176.89 3hv4 h ARG 70 N 0.97 -1.13 -0.77 1.82 2.43 -0.94 -0.96 114.38 115.79 3hv4 h ARG 70 Ca 0.35 0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.63 3hv4 h ARG 70 Cb 0.11 0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 3hv4 h ARG 70 CO -0.15 -0.75 0.49 1.49 -1.51 0.00 0.00 179.97 179.54 3hv4 h GLU 71 N -1.19 0.92 0.09 0.20 4.81 -1.26 0.36 114.58 118.51 3hv4 h GLU 71 Ca -0.12 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3hv4 h GLU 71 Cb 0.90 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.07 3hv4 h GLU 71 CO 0.20 0.61 -0.04 1.25 -0.73 0.00 0.00 179.01 180.30 3hv4 h LEU 72 N 0.95 -0.10 -0.78 1.64 5.85 -1.43 0.11 115.31 121.55 3hv4 h LEU 72 Ca 0.31 -0.41 0.16 0.00 0.84 0.00 0.00 57.88 58.78 3hv4 h LEU 72 Cb 0.02 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.97 3hv4 h LEU 72 CO -0.11 0.38 0.30 -0.09 -0.34 0.00 0.00 178.44 178.58 3hv4 h ARG 73 N -0.62 0.40 0.30 1.25 2.43 -0.99 -1.15 114.38 116.01 3hv4 h ARG 73 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3hv4 h ARG 73 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3hv4 h ARG 73 CO 0.02 0.27 -0.14 1.25 -1.51 0.00 0.00 179.97 179.85 3hv4 h LEU 74 N 0.41 -0.34 -1.61 3.80 5.85 -0.13 -3.21 115.31 120.09 3hv4 h LEU 74 Ca 0.44 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 3hv4 h LEU 74 Cb 0.71 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3hv4 h LEU 74 CO -0.44 0.07 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.46 3hv4 h LEU 75 N -0.83 0.00 -2.81 2.25 3.38 -0.56 0.16 115.31 116.91 3hv4 h LEU 75 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hv4 h LEU 75 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hv4 h LEU 75 CO 0.07 0.20 -0.00 0.11 0.09 0.00 0.00 178.44 178.91 3hv4 h LYS 76 N 0.00 0.00 -0.01 1.13 1.57 -1.21 -2.46 116.57 115.58 3hv4 h LYS 76 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hv4 h LYS 76 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3hv4 h LYS 76 CO 0.03 0.00 -0.16 0.72 -0.57 0.00 0.00 179.45 179.47 3hv4 n HIS 77 N -3.35 0.00 -2.84 -1.35 8.25 0.03 -4.92 115.22 111.04 3hv4 n HIS 77 Ca -0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.00 3hv4 n HIS 77 Cb 0.08 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 3hv4 n HIS 77 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hv4 s MET 78 N -1.46 3.66 -0.38 -0.41 -1.94 -0.92 -4.75 119.30 113.09 3hv4 s MET 78 Ca 0.14 0.30 0.02 0.00 -1.71 0.00 0.00 55.69 54.44 3hv4 s MET 78 Cb 0.11 -3.87 0.15 0.00 2.01 0.00 0.00 34.83 33.24 3hv4 s MET 78 CO 0.27 -1.08 0.27 0.15 -0.01 0.00 0.00 175.02 174.62 3hv4 s LYS 79 N 3.55 0.75 -0.28 2.03 1.02 -1.26 -4.41 119.74 121.15 3hv4 s LYS 79 Ca 0.36 -1.73 -0.17 0.00 0.02 0.00 0.00 55.97 54.46 3hv4 s LYS 79 Cb -0.11 -1.40 0.09 0.00 -0.52 0.00 0.00 37.83 35.89 3hv4 s LYS 79 CO 0.22 -1.29 0.73 -1.58 -0.92 0.00 0.00 175.35 172.51 3hv4 s HIS 80 N 0.56 -0.98 0.50 3.18 2.46 -1.26 -5.03 115.29 114.71 3hv4 s HIS 80 Ca 0.25 1.99 0.36 0.00 0.47 0.00 0.00 55.06 58.13 3hv4 s HIS 80 Cb -0.10 0.58 1.51 0.00 -0.13 0.00 0.00 32.58 34.43 3hv4 s HIS 80 CO -0.09 -0.49 1.69 0.93 -2.47 0.00 0.00 174.74 174.31 3hv4 h GLU 81 N 6.72 0.07 -0.33 2.88 3.07 -1.99 -0.54 114.58 124.47 3hv4 h GLU 81 Ca -0.30 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3hv4 h GLU 81 Cb 1.22 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3hv4 h GLU 81 CO 0.16 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 177.91 3hv4 n ASN 82 N -4.32 4.24 -3.87 1.42 5.03 -1.26 -4.65 115.26 111.85 3hv4 n ASN 82 Ca 0.34 -2.96 -0.12 0.00 0.87 0.00 0.00 54.58 52.71 3hv4 n ASN 82 Cb 1.46 -0.56 -0.14 0.00 -1.02 0.00 0.00 39.78 39.52 3hv4 n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hv4 s VAL 83 N -2.74 0.03 0.24 2.41 1.01 -0.21 -0.47 120.40 120.67 3hv4 s VAL 83 Ca 0.44 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3hv4 s VAL 83 Cb 0.35 -0.04 -0.13 0.00 0.00 0.00 0.00 36.38 36.56 3hv4 s VAL 83 CO 0.11 0.01 1.55 0.00 0.00 0.00 0.00 175.10 176.77 3hv4 n ILE 84 N 3.09 0.63 -3.85 2.22 0.13 -0.63 -4.47 119.36 116.48 3hv4 n ILE 84 Ca -0.12 -0.16 -0.22 0.00 -1.10 0.00 0.00 62.75 61.15 3hv4 n ILE 84 Cb 0.60 -1.72 -0.04 0.00 -0.84 0.00 0.00 39.64 37.63 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 0.62 1.87 -0.27 4.50 0.00 -1.26 -4.79 107.32 107.99 3hv4 s GLY 85 Ca 0.70 -1.73 -0.19 0.00 0.00 0.00 0.00 44.72 43.50 3hv4 s GLY 85 CO 0.44 -1.64 0.57 1.08 0.00 0.00 0.00 173.10 173.55 3hv4 s LEU 86 N -3.98 4.08 0.09 0.66 1.43 -1.26 -4.69 118.68 115.02 3hv4 s LEU 86 Ca 0.41 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.94 3hv4 s LEU 86 Cb -0.04 -2.75 -0.19 0.00 0.03 0.00 0.00 46.19 43.24 3hv4 s LEU 86 CO 0.26 -0.35 1.25 -0.07 0.23 0.00 0.00 176.35 177.66 3hv4 h LEU 87 N 8.90 0.90 -7.00 1.79 4.07 -1.17 -3.41 115.31 119.39 3hv4 h LEU 87 Ca -0.28 -0.67 0.11 0.00 0.08 0.00 0.00 57.88 57.13 3hv4 h LEU 87 Cb 1.13 -0.27 -0.26 0.00 1.08 0.00 0.00 40.66 42.34 3hv4 h LEU 87 CO 0.75 1.47 0.63 -0.62 -1.08 0.00 0.00 178.44 179.58 3hv4 s ASP 88 N -7.21 -0.30 -0.04 -0.43 3.68 -1.14 -4.60 116.67 106.63 3hv4 s ASP 88 Ca -0.10 0.45 0.03 0.00 2.13 0.00 0.00 52.55 55.06 3hv4 s ASP 88 Cb 0.08 0.41 0.00 0.00 -1.45 0.00 0.00 42.92 41.96 3hv4 s ASP 88 CO 0.91 -0.19 -0.13 0.54 0.13 0.00 0.00 175.17 176.43 3hv4 s VAL 89 N -0.53 1.13 0.07 1.11 0.11 -1.26 -0.13 120.40 120.89 3hv4 s VAL 89 Ca 0.03 -0.52 -0.11 0.00 -2.93 0.00 0.00 61.98 58.44 3hv4 s VAL 89 Cb -0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3hv4 s VAL 89 CO -0.05 0.34 0.24 0.72 -3.33 0.00 0.00 175.10 173.02 3hv4 s PHE 90 N 0.29 0.03 -0.06 1.54 -0.12 -0.85 -5.01 117.98 113.80 3hv4 s PHE 90 Ca -0.07 -0.32 -0.04 0.00 -0.05 0.00 0.00 56.93 56.45 3hv4 s PHE 90 Cb -0.12 0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.31 3hv4 s PHE 90 CO 0.02 -0.51 0.14 -0.08 -0.05 0.00 0.00 175.22 174.74 3hv4 s THR 91 N -3.16 -0.03 0.06 -4.49 -1.32 -1.26 -1.76 115.64 103.68 3hv4 s THR 91 Ca -0.01 0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.45 3hv4 s THR 91 Cb 0.01 -0.23 -0.03 0.00 -1.51 0.00 0.00 72.50 70.75 3hv4 s THR 91 CO -0.07 0.04 1.20 -0.65 -2.21 0.00 0.00 174.62 172.93 3hv4 h PRO 92 N 6.63 -0.05 -3.25 7.08 0.10 -1.82 -3.43 132.00 137.25 3hv4 h PRO 92 Ca -0.34 0.00 -0.40 0.00 0.10 0.00 0.00 66.00 65.36 3hv4 h PRO 92 Cb 1.17 0.01 0.04 0.00 0.10 0.00 0.00 31.00 32.32 3hv4 h PRO 92 CO 0.42 -0.03 -0.11 0.00 0.10 0.00 0.00 178.00 178.38 3hv4 n ALA 93 N -3.01 -2.13 0.15 -0.75 0.00 -1.26 -4.89 120.51 108.63 3hv4 n ALA 93 Ca 0.00 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.82 3hv4 n ALA 93 Cb 0.11 -0.92 0.19 0.00 0.00 0.00 0.00 19.45 18.83 3hv4 n ALA 93 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hv4 n ARG 94 N 0.70 2.33 -3.98 0.00 -4.01 -1.26 -4.99 116.66 105.44 3hv4 n ARG 94 Ca 0.10 -2.13 -0.09 0.00 -1.04 0.00 0.00 57.85 54.69 3hv4 n ARG 94 Cb 0.08 -1.43 -0.04 0.00 -3.04 0.00 0.00 32.46 28.03 3hv4 n ARG 94 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3hv4 s SER 95 N -1.25 -0.04 0.42 2.89 1.04 -1.26 -5.09 113.70 110.41 3hv4 s SER 95 Ca 0.33 -0.93 0.15 0.00 0.48 0.00 0.00 55.95 55.98 3hv4 s SER 95 Cb 0.19 0.62 0.92 0.00 0.10 0.00 0.00 66.02 67.85 3hv4 s SER 95 CO 0.26 -1.21 1.92 0.25 0.98 0.00 0.00 173.24 175.44 3hv4 h LEU 96 N 2.20 0.00 0.02 2.42 5.85 -1.97 -3.24 115.31 120.59 3hv4 h LEU 96 Ca -0.25 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.24 3hv4 h LEU 96 Cb 1.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3hv4 h LEU 96 CO 0.34 0.27 -1.09 1.05 -0.34 0.00 0.00 178.44 178.67 3hv4 h GLU 97 N 0.00 0.04 -1.01 1.25 9.09 -2.02 -3.08 114.58 118.86 3hv4 h GLU 97 Ca -0.00 -0.07 -0.38 0.00 0.05 0.00 0.00 59.36 58.96 3hv4 h GLU 97 Cb 0.49 0.03 -0.22 0.00 -1.65 0.00 0.00 28.75 27.40 3hv4 h GLU 97 CO 0.03 1.00 0.48 0.39 0.05 0.00 0.00 179.01 180.96 3hv4 n GLU 98 N -3.36 1.91 -3.40 1.06 4.71 -1.22 -4.85 120.64 115.49 3hv4 n GLU 98 Ca -0.03 -2.17 -0.44 0.00 -0.01 0.00 0.00 57.16 54.51 3hv4 n GLU 98 Cb 0.96 -1.85 -0.07 0.00 -1.01 0.00 0.00 31.44 29.47 3hv4 n GLU 98 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3hv4 s PHE 99 N -2.39 3.29 0.00 -0.32 5.36 -1.17 -4.25 117.98 118.51 3hv4 s PHE 99 Ca 0.41 -1.33 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 3hv4 s PHE 99 Cb 0.35 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 3hv4 s PHE 99 CO 0.08 -0.95 0.00 0.09 -1.46 0.00 0.00 175.22 172.98 3hv4 n ASN 100 N 5.15 0.00 -4.10 6.13 3.02 -1.26 -5.04 115.26 119.15 3hv4 n ASN 100 Ca -0.12 -0.32 -0.23 0.00 -0.03 0.00 0.00 54.58 53.88 3hv4 n ASN 100 Cb 0.41 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.43 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 1.71 -0.05 6.41 1.11 -1.26 -4.43 116.67 120.15 3hv4 s ASP 101 Ca 0.00 -0.27 -0.02 0.00 0.18 0.00 0.00 52.55 52.44 3hv4 s ASP 101 Cb 0.00 -0.29 0.04 0.00 1.07 0.00 0.00 42.92 43.73 3hv4 s ASP 101 CO 0.00 0.15 0.11 0.54 1.18 0.00 0.00 175.17 177.15 3hv4 s VAL 102 N -0.18 -0.09 -0.05 -1.27 0.11 -1.26 -4.62 120.40 113.04 3hv4 s VAL 102 Ca 0.02 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.36 3hv4 s VAL 102 Cb -0.07 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 3hv4 s VAL 102 CO 0.00 0.10 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.38 3hv4 s TYR 103 N 1.40 2.61 -0.09 1.54 1.51 -0.72 -2.49 117.35 121.11 3hv4 s TYR 103 Ca -0.06 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3hv4 s TYR 103 Cb -0.12 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3hv4 s TYR 103 CO -0.05 0.04 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.75 3hv4 s LEU 104 N -0.50 2.48 -0.06 -1.29 1.43 0.16 -2.02 118.68 118.88 3hv4 s LEU 104 Ca 0.07 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3hv4 s LEU 104 Cb -0.12 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3hv4 s LEU 104 CO 0.01 0.23 -0.22 -0.69 0.23 0.00 0.00 176.35 175.90 3hv4 s VAL 105 N -0.03 2.30 0.16 -1.59 1.01 0.81 0.12 120.40 123.19 3hv4 s VAL 105 Ca -0.05 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3hv4 s VAL 105 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3hv4 s VAL 105 CO 0.04 0.57 0.11 0.42 0.00 0.00 0.00 175.10 176.24 3hv4 s THR 106 N -0.28 0.06 0.19 3.92 -4.23 -0.02 -0.53 115.64 114.75 3hv4 s THR 106 Ca 0.00 -1.91 -0.33 0.00 -1.18 0.00 0.00 61.69 58.28 3hv4 s THR 106 Cb -0.13 -2.22 -0.15 0.00 1.34 0.00 0.00 72.50 71.34 3hv4 s THR 106 CO 0.03 -0.26 1.34 1.41 -0.54 0.00 0.00 174.62 176.59 3hv4 n HIS 107 N -0.18 1.80 -1.96 3.99 8.25 -1.26 0.01 115.22 125.87 3hv4 n HIS 107 Ca -0.02 0.52 -0.40 0.00 -0.26 0.00 0.00 57.72 57.55 3hv4 n HIS 107 Cb 0.65 -2.39 -0.00 0.00 1.12 0.00 0.00 29.99 29.36 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 0.43 4.28 -0.14 2.41 2.96 -0.75 -4.26 118.68 123.61 3hv4 s LEU 108 Ca 0.73 2.81 0.02 0.00 -0.22 0.00 0.00 54.13 57.47 3hv4 s LEU 108 Cb -0.76 -3.78 0.01 0.00 0.50 0.00 0.00 46.19 42.16 3hv4 s LEU 108 CO 0.49 -0.82 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.45 3hv4 s MET 109 N -2.12 3.08 0.00 1.98 -1.94 -1.26 -4.88 119.30 114.17 3hv4 s MET 109 Ca 0.54 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.70 3hv4 s MET 109 Cb -0.42 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 33.94 3hv4 s MET 109 CO 0.55 0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.98 3hv4 n GLY 110 N 4.03 1.39 3.70 -0.03 0.00 -1.26 -4.93 105.19 108.09 3hv4 n GLY 110 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3hv4 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hv4 s ALA 111 N -4.11 3.46 0.50 4.61 0.00 -1.26 -4.98 121.76 119.99 3hv4 s ALA 111 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.78 3hv4 s ALA 111 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3hv4 s ALA 111 CO 0.00 -0.62 0.72 0.16 0.00 0.00 0.00 175.76 176.02 3hv4 s ASP 112 N 1.32 5.50 0.33 0.00 3.84 -1.26 -0.45 116.67 125.96 3hv4 s ASP 112 Ca 0.59 0.07 0.07 0.00 -0.00 0.00 0.00 52.55 53.28 3hv4 s ASP 112 Cb -0.29 -1.10 0.75 0.00 -1.38 0.00 0.00 42.92 40.91 3hv4 s ASP 112 CO 0.27 -0.96 1.85 0.25 -0.00 0.00 0.00 175.17 176.58 3hv4 h LEU 113 N 0.23 0.73 -0.76 2.11 5.85 -1.17 -1.12 115.31 121.19 3hv4 h LEU 113 Ca -0.43 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.44 3hv4 h LEU 113 Cb 1.28 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 3hv4 h LEU 113 CO 0.54 0.36 0.40 -1.13 -0.34 0.00 0.00 178.44 178.26 3hv4 h ASN 114 N 0.77 0.53 0.04 1.25 -0.00 -1.87 0.18 115.58 116.49 3hv4 h ASN 114 Ca 0.48 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 56.84 3hv4 h ASN 114 Cb 0.71 -0.03 0.00 0.00 -0.00 0.00 0.00 38.32 39.00 3hv4 h ASN 114 CO -0.24 0.29 0.00 0.78 -0.00 0.00 0.00 177.43 178.26 3hv4 h ASN 115 N 0.66 0.00 0.00 1.15 -0.26 -1.58 -1.72 115.58 113.83 3hv4 h ASN 115 Ca 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.12 3hv4 h ASN 115 Cb 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 3hv4 h ASN 115 CO -0.28 0.00 -1.36 -0.38 -1.06 0.00 0.00 177.43 174.35 3hv4 n ILE 116 N -2.39 0.00 0.05 2.81 5.41 0.45 -4.29 119.36 121.39 3hv4 n ILE 116 Ca -0.02 -0.28 -0.06 0.00 1.00 0.00 0.00 62.75 63.40 3hv4 n ILE 116 Cb 0.05 0.39 -0.10 0.00 -0.71 0.00 0.00 39.64 39.27 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 1.30 -0.06 1.39 2.07 -0.52 -3.34 116.25 117.10 3hv4 h VAL 117 Ca 0.00 -2.99 0.00 0.00 0.82 0.00 0.00 66.70 64.53 3hv4 h VAL 117 Cb 0.53 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3hv4 h VAL 117 CO 0.00 0.74 0.00 0.29 0.02 0.00 0.00 177.57 178.62 3hv4 n LYS 118 N -3.23 1.37 -0.04 1.57 5.02 -0.69 -4.34 118.16 117.83 3hv4 n LYS 118 Ca -0.05 -0.56 -0.05 0.00 -2.02 0.00 0.00 58.31 55.64 3hv4 n LYS 118 Cb 0.93 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 34.49 3hv4 n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hv4 s GLN 120 N -2.19 1.62 -0.64 0.00 0.00 -1.26 -5.11 119.66 112.09 3hv4 s GLN 120 Ca -0.07 -1.51 -0.19 0.00 -0.00 0.00 0.00 55.36 53.59 3hv4 s GLN 120 Cb 0.03 0.42 0.11 0.00 0.00 0.00 0.00 33.01 33.57 3hv4 s GLN 120 CO 0.29 -0.65 0.76 -1.59 0.00 0.00 0.00 175.29 174.10 3hv4 s LYS 121 N -3.68 3.12 0.41 9.60 0.00 -1.26 -4.82 119.74 123.11 3hv4 s LYS 121 Ca 0.29 -1.37 -0.25 0.00 0.00 0.00 0.00 55.97 54.64 3hv4 s LYS 121 Cb 0.01 -4.32 -0.11 0.00 0.00 0.00 0.00 37.83 33.41 3hv4 s LYS 121 CO 0.14 -1.57 1.11 1.28 0.00 0.00 0.00 175.35 176.30 3hv4 n LEU 122 N 6.36 3.05 -4.87 2.77 7.99 -1.26 -4.98 117.00 126.06 3hv4 n LEU 122 Ca -0.05 1.08 -0.30 0.00 -0.01 0.00 0.00 56.01 56.72 3hv4 n LEU 122 Cb 0.43 -1.40 -0.03 0.00 -0.11 0.00 0.00 43.42 42.31 3hv4 n LEU 122 CO 0.57 -1.17 0.49 0.42 -1.51 0.00 0.00 177.39 176.19 3hv4 s THR 123 N -1.23 4.75 0.32 -5.08 -4.23 -1.26 -4.89 115.64 104.02 3hv4 s THR 123 Ca 0.62 0.70 0.09 0.00 -1.18 0.00 0.00 61.69 61.92 3hv4 s THR 123 Cb -0.55 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 69.85 3hv4 s THR 123 CO 0.58 -0.59 1.73 -0.78 -0.54 0.00 0.00 174.62 175.01 3hv4 h ASP 124 N 1.07 0.68 0.28 3.99 3.58 -1.97 0.71 116.42 124.76 3hv4 h ASP 124 Ca -0.47 0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.00 3hv4 h ASP 124 Cb 1.19 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 3hv4 h ASP 124 CO 0.63 0.11 -0.44 -0.78 -2.88 0.00 0.00 179.24 175.88 3hv4 h ASP 125 N 0.59 0.22 0.36 2.28 3.58 -1.99 -0.55 116.42 120.90 3hv4 h ASP 125 Ca 0.64 -0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.83 3hv4 h ASP 125 Cb 1.21 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 3hv4 h ASP 125 CO -0.47 0.64 -0.69 -0.74 -2.88 0.00 0.00 179.24 175.10 3hv4 h HIS 126 N 0.17 0.40 -0.20 0.28 2.76 -1.29 -0.96 115.15 116.31 3hv4 h HIS 126 Ca 0.01 -0.17 -0.03 0.00 -2.20 0.00 0.00 60.37 57.99 3hv4 h HIS 126 Cb 0.85 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 3hv4 h HIS 126 CO 0.01 0.89 0.02 0.28 -1.30 0.00 0.00 177.93 177.84 3hv4 h VAL 127 N 0.21 1.24 -0.03 5.26 2.07 -0.81 -2.20 116.25 121.98 3hv4 h VAL 127 Ca -0.02 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3hv4 h VAL 127 Cb 1.24 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 3hv4 h VAL 127 CO 0.11 0.24 -0.29 1.56 0.02 0.00 0.00 177.57 179.21 3hv4 h GLN 128 N 0.12 -0.40 -0.59 1.57 4.20 -0.95 0.51 115.11 119.57 3hv4 h GLN 128 Ca 0.06 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.84 3hv4 h GLN 128 Cb 0.34 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 3hv4 h GLN 128 CO 0.01 -0.27 0.33 0.35 -0.67 0.00 0.00 178.83 178.58 3hv4 h PHE 129 N -0.42 0.61 0.37 2.96 3.57 -1.21 0.55 116.94 123.38 3hv4 h PHE 129 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3hv4 h PHE 129 Cb 0.52 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3hv4 h PHE 129 CO -0.33 0.32 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.82 3hv4 h LEU 130 N 0.64 -0.42 -1.28 0.59 4.07 -1.08 -2.59 115.31 115.24 3hv4 h LEU 130 Ca 0.25 -0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.11 3hv4 h LEU 130 Cb 0.11 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 3hv4 h LEU 130 CO -0.14 -0.05 0.51 0.40 -1.08 0.00 0.00 178.44 178.08 3hv4 h ILE 131 N -0.84 1.11 -0.60 1.22 1.08 -0.86 -2.10 117.51 116.50 3hv4 h ILE 131 Ca -0.05 -0.32 0.07 0.00 -0.39 0.00 0.00 64.86 64.17 3hv4 h ILE 131 Cb 0.53 0.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 3hv4 h ILE 131 CO 0.08 0.17 0.30 0.22 -0.69 0.00 0.00 178.15 178.23 3hv4 h TYR 132 N 0.93 0.53 -0.11 1.37 3.20 -0.80 -1.47 116.97 120.62 3hv4 h TYR 132 Ca 0.31 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.11 3hv4 h TYR 132 Cb 0.07 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3hv4 h TYR 132 CO -0.00 0.23 -0.37 1.96 -1.64 0.00 0.00 178.16 178.34 3hv4 h GLN 133 N 0.55 0.23 -0.17 1.82 4.20 -0.99 -2.14 115.11 118.60 3hv4 h GLN 133 Ca 0.28 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3hv4 h GLN 133 Cb 0.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3hv4 h GLN 133 CO -0.21 0.57 0.07 0.82 -0.67 0.00 0.00 178.83 179.41 3hv4 h ILE 134 N 0.19 1.16 -0.01 2.54 2.04 -0.68 -2.17 117.51 120.57 3hv4 h ILE 134 Ca 0.02 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 3hv4 h ILE 134 Cb 0.75 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3hv4 h ILE 134 CO 0.06 0.15 -0.36 -0.07 0.00 0.00 0.00 178.15 177.93 3hv4 h LEU 135 N 0.12 0.03 -0.15 1.44 3.38 -1.26 0.79 115.31 119.66 3hv4 h LEU 135 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3hv4 h LEU 135 Cb 0.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hv4 h LEU 135 CO -0.00 0.38 -0.17 -0.09 0.09 0.00 0.00 178.44 178.65 3hv4 h ARG 136 N 0.03 0.37 -0.76 1.13 2.43 -1.22 0.42 114.38 116.77 3hv4 h ARG 136 Ca 0.00 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3hv4 h ARG 136 Cb 0.64 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 3hv4 h ARG 136 CO 0.05 0.77 0.50 0.78 -1.51 0.00 0.00 179.97 180.56 3hv4 h GLY 137 N -0.01 1.08 1.28 2.80 0.00 -0.97 -2.33 103.07 104.91 3hv4 h GLY 137 Ca 0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 3hv4 h GLY 137 CO 0.04 0.40 -0.25 -2.00 0.00 0.00 0.00 176.54 174.73 3hv4 h LEU 138 N 1.04 0.85 -0.36 3.11 5.85 -0.61 0.11 115.31 125.29 3hv4 h LEU 138 Ca 0.28 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3hv4 h LEU 138 Cb -0.11 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3hv4 h LEU 138 CO -0.06 1.06 0.13 0.50 -0.34 0.00 0.00 178.44 179.73 3hv4 h LYS 139 N 0.71 0.27 0.94 1.25 3.64 0.02 0.10 116.57 123.50 3hv4 h LYS 139 Ca 0.09 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3hv4 h LYS 139 Cb 0.79 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3hv4 h LYS 139 CO 0.07 0.18 -0.45 -0.92 -2.27 0.00 0.00 179.45 176.06 3hv4 h TYR 140 N 0.28 -1.17 -0.72 1.91 3.20 -0.85 -1.38 116.97 118.25 3hv4 h TYR 140 Ca 0.16 -0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.14 3hv4 h TYR 140 Cb 0.13 0.39 -0.13 0.00 1.54 0.00 0.00 36.73 38.66 3hv4 h TYR 140 CO -0.14 -0.73 -0.29 0.82 -1.64 0.00 0.00 178.16 176.19 3hv4 h ILE 141 N -1.32 0.17 0.00 1.81 2.04 -0.92 0.05 117.51 119.34 3hv4 h ILE 141 Ca -0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3hv4 h ILE 141 Cb 0.97 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3hv4 h ILE 141 CO 0.21 0.00 -0.05 0.45 0.00 0.00 0.00 178.15 178.77 3hv4 h HIS 142 N -0.08 0.00 0.00 1.37 3.86 -0.72 -1.60 115.15 117.98 3hv4 h HIS 142 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3hv4 h HIS 142 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3hv4 h HIS 142 CO -0.66 0.05 0.00 -1.13 0.86 0.00 0.00 177.93 177.05 3hv4 n SER 143 N -3.33 0.29 -0.64 2.45 3.41 -0.00 -2.32 113.62 113.48 3hv4 n SER 143 Ca -0.02 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3hv4 n SER 143 Cb 0.20 -0.61 0.37 0.00 -0.26 0.00 0.00 64.21 63.91 3hv4 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hv4 n ALA 144 N -1.60 2.56 -2.57 7.33 0.00 -0.61 -4.64 120.51 120.97 3hv4 n ALA 144 Ca 0.06 -0.53 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 3hv4 n ALA 144 Cb 0.37 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.79 3hv4 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hv4 n ASP 145 N 0.54 -3.78 -4.47 0.00 2.03 -0.98 -4.24 116.55 105.65 3hv4 n ASP 145 Ca 0.17 -0.12 -0.33 0.00 0.52 0.00 0.00 54.79 55.03 3hv4 n ASP 145 Cb 0.44 -2.73 -0.13 0.00 -0.72 0.00 0.00 41.12 37.98 3hv4 n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hv4 s ILE 146 N -2.80 3.16 -0.19 5.18 1.01 -1.16 -4.69 121.20 121.72 3hv4 s ILE 146 Ca 0.13 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 3hv4 s ILE 146 Cb -0.06 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3hv4 s ILE 146 CO 0.16 0.58 0.05 -0.63 0.00 0.00 0.00 174.94 175.10 3hv4 s ILE 147 N -0.51 4.61 0.06 2.92 1.01 -1.26 -3.83 121.20 124.21 3hv4 s ILE 147 Ca 0.07 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.40 3hv4 s ILE 147 Cb -0.12 -3.08 -0.13 0.00 0.01 0.00 0.00 42.46 39.14 3hv4 s ILE 147 CO 0.02 0.45 1.53 -0.74 0.00 0.00 0.00 174.94 176.19 3hv4 h HIS 148 N 6.89 0.19 0.00 3.97 -0.00 -1.96 -3.46 115.15 120.78 3hv4 h HIS 148 Ca -0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3hv4 h HIS 148 Cb 1.17 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3hv4 h HIS 148 CO 0.57 0.37 0.00 0.54 -0.00 0.00 0.00 177.93 179.41 3hv4 n ARG 149 N -4.85 0.00 -2.71 5.26 1.74 -1.26 -4.75 116.66 110.09 3hv4 n ARG 149 Ca -0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.96 3hv4 n ARG 149 Cb 0.16 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.54 -4.70 0.55 4.64 -1.26 -4.99 116.55 112.33 3hv4 n ASP 150 Ca 0.00 -2.50 -0.42 0.00 -1.38 0.00 0.00 54.79 50.49 3hv4 n ASP 150 Cb 0.00 -0.51 -0.03 0.00 -1.04 0.00 0.00 41.12 39.54 3hv4 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3hv4 s LEU 151 N -3.36 4.33 0.06 -2.67 1.43 -1.26 -4.80 118.68 112.40 3hv4 s LEU 151 Ca 0.27 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 54.81 3hv4 s LEU 151 Cb 0.41 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 43.15 3hv4 s LEU 151 CO 0.01 -0.39 0.89 -1.59 0.23 0.00 0.00 176.35 175.51 3hv4 s LYS 152 N 1.44 0.97 0.53 1.70 -2.85 -1.26 -4.80 119.74 115.47 3hv4 s LYS 152 Ca 0.53 -0.43 0.18 0.00 -1.00 0.00 0.00 55.97 55.24 3hv4 s LYS 152 Cb -0.22 0.40 1.31 0.00 -2.06 0.00 0.00 37.83 37.26 3hv4 s LYS 152 CO 0.25 -0.43 2.15 -1.35 0.10 0.00 0.00 175.35 176.06 3hv4 h PRO 153 N 2.00 0.00 0.00 1.78 0.11 -1.94 -0.28 132.00 133.66 3hv4 h PRO 153 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3hv4 h PRO 153 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hv4 h PRO 153 CO 0.29 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.95 3hv4 n SER 154 N -4.48 0.00 -1.38 -2.05 3.41 -1.26 -1.98 113.62 105.87 3hv4 n SER 154 Ca -0.02 -0.98 0.09 0.00 -0.26 0.00 0.00 58.87 57.70 3hv4 n SER 154 Cb 0.13 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.99 4.34 -4.10 4.04 5.03 -0.12 -4.68 115.26 118.79 3hv4 n ASN 155 Ca 0.22 -2.36 -0.32 0.00 0.87 0.00 0.00 54.58 53.00 3hv4 n ASN 155 Cb 0.10 -0.52 -0.16 0.00 -1.02 0.00 0.00 39.78 38.18 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 -1.67 2.01 -0.35 3.41 1.43 -0.84 -1.29 118.68 121.39 3hv4 s LEU 156 Ca 0.47 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.81 3hv4 s LEU 156 Cb 0.29 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 3hv4 s LEU 156 CO 0.24 -0.00 0.39 0.00 0.23 0.00 0.00 176.35 177.21 3hv4 s ALA 157 N 1.26 3.49 -0.24 4.21 0.00 -0.60 -1.48 121.76 128.40 3hv4 s ALA 157 Ca 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 3hv4 s ALA 157 Cb -0.13 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.13 3hv4 s ALA 157 CO -0.10 -1.12 -0.06 0.08 0.00 0.00 0.00 175.76 174.55 3hv4 s VAL 158 N 2.08 3.03 0.75 0.00 1.01 0.40 -2.04 120.40 125.64 3hv4 s VAL 158 Ca 0.13 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.19 3hv4 s VAL 158 Cb -0.16 -2.46 0.17 0.00 0.00 0.00 0.00 36.38 33.92 3hv4 s VAL 158 CO 0.12 0.30 1.02 -0.46 0.00 0.00 0.00 175.10 176.09 3hv4 n ASN 159 N 4.72 0.31 0.22 3.32 0.23 -0.93 -4.29 115.26 118.84 3hv4 n ASN 159 Ca -0.17 -1.51 0.05 0.00 -0.53 0.00 0.00 54.58 52.42 3hv4 n ASN 159 Cb 0.49 -0.76 0.48 0.00 -2.08 0.00 0.00 39.78 37.91 3hv4 n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3hv4 h GLU 160 N 0.00 0.00 -0.00 -3.83 3.07 -1.98 -0.66 114.58 111.18 3hv4 h GLU 160 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3hv4 h GLU 160 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 3hv4 h GLU 160 CO 0.26 0.24 -0.02 -0.25 -1.40 0.00 0.00 179.01 177.84 3hv4 n ASP 161 N -4.14 0.18 -0.35 1.42 10.43 -1.26 -4.92 116.55 117.91 3hv4 n ASP 161 Ca -0.02 -0.65 -0.04 0.00 2.57 0.00 0.00 54.79 56.64 3hv4 n ASP 161 Cb 0.30 -0.11 -0.02 0.00 1.84 0.00 0.00 41.12 43.13 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 -2.59 4.38 -0.11 0.00 2.02 -1.26 -4.86 118.70 116.28 3hv4 s GLU 163 Ca 0.00 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.31 3hv4 s GLU 163 Cb 0.00 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 3hv4 s GLU 163 CO 0.00 -0.37 -0.02 -1.17 0.02 0.00 0.00 175.26 173.72 3hv4 s LEU 164 N 2.24 3.42 -0.06 1.80 0.20 -1.26 -2.18 118.68 122.83 3hv4 s LEU 164 Ca 0.46 0.03 0.02 0.00 0.69 0.00 0.00 54.13 55.34 3hv4 s LEU 164 Cb -0.17 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 3hv4 s LEU 164 CO 0.15 0.31 -0.12 -0.54 -0.29 0.00 0.00 176.35 175.86 3hv4 s LYS 165 N -0.46 1.60 0.11 1.98 1.02 -0.87 -4.13 119.74 118.98 3hv4 s LYS 165 Ca 0.08 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 3hv4 s LYS 165 Cb -0.12 -1.34 -0.06 0.00 -0.52 0.00 0.00 37.83 35.79 3hv4 s LYS 165 CO 0.02 0.03 0.94 0.42 -0.92 0.00 0.00 175.35 175.84 3hv4 s ILE 166 N 0.63 4.52 0.18 2.17 1.01 0.38 -1.56 121.20 128.54 3hv4 s ILE 166 Ca -0.13 2.02 0.01 0.00 0.00 0.00 0.00 60.65 62.55 3hv4 s ILE 166 Cb -0.15 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 3hv4 s ILE 166 CO 0.03 0.33 0.22 0.00 0.00 0.00 0.00 174.94 175.52 3hv4 n LEU 167 N 2.77 0.00 -3.90 2.97 -0.00 -0.41 -1.61 117.00 116.82 3hv4 n LEU 167 Ca 0.02 -1.59 -0.29 0.00 -0.00 0.00 0.00 56.01 54.15 3hv4 n LEU 167 Cb 0.49 1.18 -0.13 0.00 -0.00 0.00 0.00 43.42 44.97 3hv4 n LEU 167 CO 0.51 -0.32 -0.10 -0.62 -0.00 0.00 0.00 177.39 176.86 3hv4 s ASP 168 N -2.19 4.53 0.65 1.45 -1.08 -1.26 -4.75 116.67 114.01 3hv4 s ASP 168 Ca 0.18 -3.52 0.25 0.00 -0.52 0.00 0.00 52.55 48.94 3hv4 s ASP 168 Cb 0.00 -1.59 1.37 0.00 -1.46 0.00 0.00 42.92 41.24 3hv4 s ASP 168 CO 0.13 -0.14 1.76 -0.26 0.52 0.00 0.00 175.17 177.18 3hv4 h PHE 169 N 5.81 0.00 -2.22 -5.34 0.04 -1.88 -3.45 116.94 109.91 3hv4 h PHE 169 Ca 0.07 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.25 3hv4 h PHE 169 Cb 0.81 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.00 3hv4 h PHE 169 CO 0.61 0.00 0.99 0.41 -0.60 0.00 0.00 178.31 179.72 3hv4 n GLY 170 N -1.26 1.38 0.00 -1.45 0.00 -1.26 -4.86 105.19 97.75 3hv4 n GLY 170 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 5.25 0.54 0.00 0.99 4.77 -1.26 -4.95 117.00 122.33 3hv4 n LEU 171 Ca 0.20 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3hv4 n LEU 171 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hv4 n LEU 171 CO 0.68 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.87 3hv4 n ALA 172 N -0.00 0.00 -3.63 -1.18 0.00 -1.26 -1.61 120.51 112.82 3hv4 n ALA 172 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3hv4 n ALA 172 Cb 0.12 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.09 -3.39 -2.40 0.00 0.31 -1.26 -5.00 118.33 105.51 3hv4 n VAL 183 Ca 0.00 0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 3hv4 n VAL 183 Cb 0.00 -3.05 -0.03 0.00 -0.91 0.00 0.00 33.84 29.85 3hv4 n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hv4 s ALA 184 N -2.29 3.54 0.23 3.52 0.00 -1.26 -4.94 121.76 120.57 3hv4 s ALA 184 Ca 0.17 0.65 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 3hv4 s ALA 184 Cb -0.02 -3.55 0.38 0.00 0.00 0.00 0.00 23.12 19.94 3hv4 s ALA 184 CO 0.87 -0.87 1.70 1.15 0.00 0.00 0.00 175.76 178.61 3hv4 h THR 185 N 5.08 0.58 -0.33 0.00 2.02 -2.00 -1.12 112.91 117.14 3hv4 h THR 185 Ca -0.34 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 66.81 3hv4 h THR 185 Cb 1.16 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 3hv4 h THR 185 CO 0.90 0.05 -0.09 -1.14 0.37 0.00 0.00 175.52 175.61 3hv4 n ARG 186 N -5.13 -0.04 0.31 6.66 0.63 -1.26 -1.10 116.66 116.73 3hv4 n ARG 186 Ca 0.12 0.51 0.18 0.00 -0.92 0.00 0.00 57.85 57.74 3hv4 n ARG 186 Cb 0.39 -0.76 1.04 0.00 0.45 0.00 0.00 32.46 33.58 3hv4 n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3hv4 h TRP 187 N 0.00 0.00 -0.21 -0.14 6.55 -1.44 -2.76 115.95 117.94 3hv4 h TRP 187 Ca 0.15 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.99 3hv4 h TRP 187 Cb 0.23 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 3hv4 h TRP 187 CO -0.26 0.01 0.00 0.66 -1.05 0.00 0.00 178.44 177.79 3hv4 n TYR 188 N -3.49 0.28 -3.44 0.49 4.02 -0.26 -4.55 117.16 110.21 3hv4 n TYR 188 Ca -0.03 -0.42 -0.38 0.00 -0.01 0.00 0.00 57.90 57.06 3hv4 n TYR 188 Cb 0.09 -0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.95 4.00 0.38 -0.72 3.52 -1.04 -3.66 118.95 120.48 3hv4 s ARG 189 Ca 0.16 0.50 -0.27 0.00 -0.13 0.00 0.00 55.73 55.98 3hv4 s ARG 189 Cb 0.08 -3.23 -0.09 0.00 -1.56 0.00 0.00 34.95 30.15 3hv4 s ARG 189 CO 0.11 0.66 1.34 0.00 -0.81 0.00 0.00 175.30 176.60 3hv4 s ALA 190 N -1.03 3.37 0.33 6.12 0.00 -1.26 -4.92 121.76 124.36 3hv4 s ALA 190 Ca 0.25 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3hv4 s ALA 190 Cb -0.17 -3.51 0.55 0.00 0.00 0.00 0.00 23.12 19.99 3hv4 s ALA 190 CO 0.15 -0.83 1.94 -1.00 0.00 0.00 0.00 175.76 176.01 3hv4 h PRO 191 N 2.89 0.81 -0.94 0.00 0.13 -1.95 -2.31 132.00 130.63 3hv4 h PRO 191 Ca -0.50 -0.09 0.23 0.00 -0.87 0.00 0.00 66.00 64.77 3hv4 h PRO 191 Cb 1.24 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 3hv4 h PRO 191 CO 0.63 0.62 0.62 1.05 -0.23 0.00 0.00 178.00 180.70 3hv4 h GLU 192 N 0.81 0.33 -0.27 0.86 9.09 -1.91 0.58 114.58 124.06 3hv4 h GLU 192 Ca 0.20 -0.02 -0.15 0.00 0.05 0.00 0.00 59.36 59.44 3hv4 h GLU 192 Cb 0.07 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 3hv4 h GLU 192 CO -0.03 0.22 -0.45 0.82 0.05 0.00 0.00 179.01 179.62 3hv4 h ILE 193 N 0.34 1.29 0.00 -1.06 2.04 -1.79 -2.46 117.51 115.87 3hv4 h ILE 193 Ca 0.49 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3hv4 h ILE 193 Cb 1.34 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3hv4 h ILE 193 CO -0.17 0.53 0.00 0.23 0.00 0.00 0.00 178.15 178.74 3hv4 n MET 194 N -4.02 0.01 -0.32 2.37 2.81 0.15 -1.21 117.12 116.91 3hv4 n MET 194 Ca -0.02 0.18 0.11 0.00 -1.81 0.00 0.00 57.70 56.15 3hv4 n MET 194 Cb 0.56 -1.51 0.28 0.00 -0.71 0.00 0.00 33.22 31.84 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 -1.52 3.71 -3.68 4.03 4.77 -0.90 -4.99 117.00 118.42 3hv4 n LEU 195 Ca 0.04 -1.95 -0.23 0.00 -0.03 0.00 0.00 56.01 53.85 3hv4 n LEU 195 Cb 0.22 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3hv4 n LEU 195 CO 0.18 0.92 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.87 3hv4 n ASN 196 N 1.41 -2.45 -4.77 -1.43 5.15 -0.35 -4.92 115.26 107.91 3hv4 n ASN 196 Ca 0.21 -0.87 -0.39 0.00 -0.60 0.00 0.00 54.58 52.93 3hv4 n ASN 196 Cb 0.58 -3.92 -0.03 0.00 -0.53 0.00 0.00 39.78 35.88 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 -3.63 3.29 -0.04 1.20 -0.11 -1.03 -4.99 118.94 113.62 3hv4 s TRP 197 Ca 0.14 1.60 -0.17 0.00 1.22 0.00 0.00 56.10 58.90 3hv4 s TRP 197 Cb -0.04 -3.35 -0.11 0.00 -1.50 0.00 0.00 33.47 28.47 3hv4 s TRP 197 CO 0.82 -1.00 0.69 0.52 -4.62 0.00 0.00 176.95 173.37 3hv4 h MET 198 N 3.17 -0.39 -7.23 5.86 2.86 -1.92 -3.44 114.93 113.84 3hv4 h MET 198 Ca -0.48 0.03 -0.45 0.00 -2.06 0.00 0.00 59.70 56.73 3hv4 h MET 198 Cb 1.22 0.09 0.08 0.00 0.06 0.00 0.00 31.60 33.05 3hv4 h MET 198 CO 0.65 -0.13 0.18 -1.01 1.06 0.00 0.00 176.91 177.65 3hv4 s HIS 199 N -3.30 2.71 -0.17 -0.22 3.76 -1.26 -5.12 115.29 111.69 3hv4 s HIS 199 Ca -0.09 0.29 -0.34 0.00 -0.15 0.00 0.00 55.06 54.76 3hv4 s HIS 199 Cb 0.01 -3.15 0.14 0.00 1.11 0.00 0.00 32.58 30.68 3hv4 s HIS 199 CO 0.31 -1.42 1.17 1.52 -0.85 0.00 0.00 174.74 175.48 3hv4 s TYR 200 N -3.19 -0.16 0.45 1.40 -0.00 -1.26 -5.07 117.35 109.52 3hv4 s TYR 200 Ca 0.61 0.11 0.02 0.00 -0.00 0.00 0.00 57.07 57.80 3hv4 s TYR 200 Cb -0.10 0.52 -0.01 0.00 -0.00 0.00 0.00 41.96 42.37 3hv4 s TYR 200 CO 0.44 -0.24 0.06 0.27 -0.00 0.00 0.00 175.55 176.08 3hv4 n ASN 201 N -0.07 2.47 0.22 -0.18 0.23 -1.26 -5.02 115.26 111.64 3hv4 n ASN 201 Ca -0.01 -3.12 0.11 0.00 -0.53 0.00 0.00 54.58 51.04 3hv4 n ASN 201 Cb 0.59 0.61 0.69 0.00 -2.08 0.00 0.00 39.78 39.59 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 0.00 0.00 -3.83 4.20 -1.96 -0.09 115.11 113.43 3hv4 h GLN 202 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3hv4 h GLN 202 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3hv4 h GLN 202 CO 0.59 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.00 3hv4 n THR 203 N -4.40 1.43 -0.31 -0.54 -2.24 -1.26 -1.40 114.28 105.56 3hv4 n THR 203 Ca -0.01 0.41 0.14 0.00 -2.27 0.00 0.00 64.05 62.32 3hv4 n THR 203 Cb 0.19 -1.31 0.38 0.00 -2.10 0.00 0.00 70.33 67.49 3hv4 n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3hv4 h VAL 204 N 0.00 0.74 -0.06 2.28 -1.51 -1.37 0.01 116.25 116.34 3hv4 h VAL 204 Ca 0.00 -0.23 -0.19 0.00 -1.23 0.00 0.00 66.70 65.04 3hv4 h VAL 204 Cb 0.12 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.29 3hv4 h VAL 204 CO 0.00 0.12 -0.79 0.44 -1.23 0.00 0.00 177.57 176.12 3hv4 h ASP 205 N 0.67 0.48 -0.86 4.19 3.45 -1.48 -2.75 116.42 120.12 3hv4 h ASP 205 Ca 0.52 -0.33 -0.02 0.00 0.43 0.00 0.00 57.03 57.62 3hv4 h ASP 205 Cb 0.91 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.50 3hv4 h ASP 205 CO -0.28 1.09 0.44 0.40 -1.57 0.00 0.00 179.24 179.32 3hv4 h ILE 206 N 0.25 1.26 -0.54 0.35 1.08 -1.27 -0.80 117.51 117.84 3hv4 h ILE 206 Ca -0.04 -0.68 0.09 0.00 -0.39 0.00 0.00 64.86 63.84 3hv4 h ILE 206 Cb 1.38 0.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.18 3hv4 h ILE 206 CO 0.13 0.30 0.13 -0.25 -0.69 0.00 0.00 178.15 177.77 3hv4 h TRP 207 N 1.22 0.21 -0.75 1.37 2.91 -0.77 -1.28 115.95 118.86 3hv4 h TRP 207 Ca 0.30 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.35 3hv4 h TRP 207 Cb 0.07 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 3hv4 h TRP 207 CO 0.01 0.01 0.45 0.77 -1.03 0.00 0.00 178.44 178.65 3hv4 h SER 208 N 0.27 0.91 -0.83 2.65 0.02 -1.03 -2.31 113.55 113.23 3hv4 h SER 208 Ca 0.27 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3hv4 h SER 208 Cb 0.37 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3hv4 h SER 208 CO -0.34 0.70 0.47 0.58 -1.14 0.00 0.00 176.83 177.10 3hv4 h VAL 209 N 1.03 1.24 0.09 2.27 2.07 -0.66 0.10 116.25 122.40 3hv4 h VAL 209 Ca 0.27 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3hv4 h VAL 209 Cb -0.03 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 3hv4 h VAL 209 CO -0.05 0.27 -0.45 1.23 0.02 0.00 0.00 177.57 178.58 3hv4 h GLY 210 N 1.15 -0.92 0.34 2.17 0.00 -0.92 0.22 103.07 105.11 3hv4 h GLY 210 Ca 0.29 0.55 0.09 0.00 0.00 0.00 0.00 47.33 48.26 3hv4 h GLY 210 CO -0.05 -0.26 0.11 0.00 0.00 0.00 0.00 176.54 176.34 3hv4 h ILE 212 N 0.25 0.92 -0.77 0.00 2.04 -0.68 -2.25 117.51 117.02 3hv4 h ILE 212 Ca 0.26 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 3hv4 h ILE 212 Cb 0.35 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3hv4 h ILE 212 CO -0.33 0.03 0.44 -0.03 0.00 0.00 0.00 178.15 178.25 3hv4 h MET 213 N 0.14 1.06 -0.50 2.37 4.05 0.47 -1.46 114.93 121.06 3hv4 h MET 213 Ca 0.09 -0.11 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 3hv4 h MET 213 Cb 0.08 -0.21 -0.09 0.00 -0.80 0.00 0.00 31.60 30.57 3hv4 h MET 213 CO -0.11 0.77 -0.06 0.00 0.23 0.00 0.00 176.91 177.74 3hv4 h ALA 214 N 1.23 0.41 -0.10 0.39 0.00 -0.66 -1.21 119.26 119.33 3hv4 h ALA 214 Ca 0.27 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 3hv4 h ALA 214 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hv4 h ALA 214 CO -0.05 -0.42 -0.28 1.49 0.00 0.00 0.00 179.25 180.00 3hv4 h GLU 215 N 0.06 0.17 -0.14 0.00 4.81 -0.74 -2.04 114.58 116.71 3hv4 h GLU 215 Ca 0.25 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 3hv4 h GLU 215 Cb 0.38 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3hv4 h GLU 215 CO -0.47 0.45 -0.69 -0.07 -0.73 0.00 0.00 179.01 177.50 3hv4 h LEU 216 N 0.16 0.66 -1.01 1.64 3.38 -0.27 -0.00 115.31 119.88 3hv4 h LEU 216 Ca 0.02 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3hv4 h LEU 216 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hv4 h LEU 216 CO 0.04 1.16 -0.49 -0.07 0.09 0.00 0.00 178.44 179.17 3hv4 h LEU 217 N 0.40 0.00 0.00 1.67 3.38 -0.73 -3.37 115.31 116.67 3hv4 h LEU 217 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3hv4 h LEU 217 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3hv4 h LEU 217 CO 0.13 0.49 -1.54 0.35 0.09 0.00 0.00 178.44 177.96 3hv4 n THR 218 N -3.92 0.43 -0.09 0.22 -2.24 -0.82 -4.87 114.28 102.98 3hv4 n THR 218 Ca -0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3hv4 n THR 218 Cb 0.51 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 2.34 0.67 3.19 3.38 0.00 -0.02 -5.07 105.19 109.68 3hv4 n GLY 219 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.91 0.63 -0.08 1.61 1.70 -1.16 -4.98 118.95 115.76 3hv4 s ARG 220 Ca 0.00 -0.36 -0.38 0.00 -0.47 0.00 0.00 55.73 54.51 3hv4 s ARG 220 Cb 0.00 0.27 -0.16 0.00 -0.57 0.00 0.00 34.95 34.49 3hv4 s ARG 220 CO 0.00 -0.17 1.51 2.41 -1.08 0.00 0.00 175.30 177.97 3hv4 n THR 221 N 1.15 0.13 0.13 4.99 -1.04 -1.26 -4.13 114.28 114.25 3hv4 n THR 221 Ca -0.21 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 3hv4 n THR 221 Cb 0.57 -0.97 -0.08 0.00 -1.82 0.00 0.00 70.33 68.03 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 5.67 -0.26 -7.16 -4.42 5.85 -1.91 -3.38 115.31 109.70 3hv4 h LEU 222 Ca -0.47 -0.17 -0.63 0.00 0.84 0.00 0.00 57.88 57.45 3hv4 h LEU 222 Cb 1.33 0.07 -0.41 0.00 0.37 0.00 0.00 40.66 42.02 3hv4 h LEU 222 CO 0.86 0.03 -0.56 -0.36 -0.34 0.00 0.00 178.44 178.07 3hv4 s PHE 223 N -5.09 3.52 -1.46 1.25 0.40 -1.26 -5.00 117.98 110.34 3hv4 s PHE 223 Ca -0.15 -3.29 -0.11 0.00 -0.60 0.00 0.00 56.93 52.79 3hv4 s PHE 223 Cb 0.03 -2.76 0.04 0.00 0.51 0.00 0.00 43.02 40.83 3hv4 s PHE 223 CO 0.60 -0.59 2.41 -0.35 0.70 0.00 0.00 175.22 177.99 3hv4 n PRO 224 N 2.22 3.52 -2.26 0.24 -0.04 -1.26 -4.56 135.00 132.85 3hv4 n PRO 224 Ca 0.17 -2.78 -0.38 0.00 -0.04 0.00 0.00 63.50 60.47 3hv4 n PRO 224 Cb 0.35 -2.97 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 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 2.02 2.86 0.06 0.55 0.00 -1.26 -4.96 107.32 106.58 3hv4 s GLY 225 Ca 0.54 0.99 0.05 0.00 0.00 0.00 0.00 44.72 46.30 3hv4 s GLY 225 CO -0.06 1.50 1.07 -0.91 0.00 0.00 0.00 173.10 174.70 3hv4 h THR 226 N 2.26 1.42 -1.55 0.90 1.35 -1.93 -3.45 112.91 111.92 3hv4 h THR 226 Ca -0.49 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.24 3hv4 h THR 226 Cb 1.24 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 3hv4 h THR 226 CO 0.62 0.85 0.00 -0.90 -0.25 0.00 0.00 175.52 175.84 3hv4 n ASP 227 N -3.33 0.00 0.05 5.36 5.75 -1.26 -5.03 116.55 118.08 3hv4 n ASP 227 Ca -0.07 -0.55 -0.20 0.00 -0.01 0.00 0.00 54.79 53.95 3hv4 n ASP 227 Cb 0.99 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.97 3hv4 n ASP 227 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3hv4 h HIS 228 N 0.55 0.93 -0.27 2.11 3.86 -1.98 -1.74 115.15 118.60 3hv4 h HIS 228 Ca 0.00 -0.53 0.02 0.00 -1.16 0.00 0.00 60.37 58.69 3hv4 h HIS 228 Cb 0.00 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3hv4 h HIS 228 CO 0.00 1.37 0.14 0.82 0.86 0.00 0.00 177.93 181.13 3hv4 h ILE 229 N 0.22 1.01 -0.75 2.45 1.08 -1.97 0.16 117.51 119.71 3hv4 h ILE 229 Ca -0.14 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3hv4 h ILE 229 Cb 1.68 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 36.07 3hv4 h ILE 229 CO 0.19 0.06 0.45 -0.78 -0.69 0.00 0.00 178.15 177.38 3hv4 h ASP 230 N 0.30 0.89 -0.08 1.72 -0.00 -1.96 0.90 116.42 118.20 3hv4 h ASP 230 Ca 0.11 -0.05 0.03 0.00 -0.00 0.00 0.00 57.03 57.12 3hv4 h ASP 230 Cb 0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 39.33 39.09 3hv4 h ASP 230 CO -0.07 0.68 -0.12 -0.61 -0.00 0.00 0.00 179.24 179.13 3hv4 h GLN 231 N 1.03 -0.16 -0.56 0.28 5.75 -0.69 -0.36 115.11 120.40 3hv4 h GLN 231 Ca 0.27 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.74 3hv4 h GLN 231 Cb -0.04 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3hv4 h GLN 231 CO -0.05 -0.11 0.17 -0.07 -2.65 0.00 0.00 178.83 176.13 3hv4 h LEU 232 N -0.17 0.77 -0.74 -2.39 3.38 -0.21 -2.37 115.31 113.58 3hv4 h LEU 232 Ca 0.07 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hv4 h LEU 232 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hv4 h LEU 232 CO -0.18 0.73 0.25 0.50 0.09 0.00 0.00 178.44 179.84 3hv4 h LYS 233 N 0.81 1.14 -0.50 1.13 3.64 -0.46 -1.95 116.57 120.38 3hv4 h LYS 233 Ca 0.19 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3hv4 h LYS 233 Cb 0.24 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hv4 h LYS 233 CO -0.01 0.96 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.91 3hv4 h LEU 234 N 1.09 0.98 -0.55 5.20 3.38 -0.90 -2.63 115.31 121.88 3hv4 h LEU 234 Ca 0.24 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hv4 h LEU 234 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3hv4 h LEU 234 CO -0.01 1.12 0.35 0.40 0.09 0.00 0.00 178.44 180.39 3hv4 h ILE 235 N 0.86 1.15 -0.08 1.22 2.04 -1.26 -2.90 117.51 118.54 3hv4 h ILE 235 Ca 0.13 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 3hv4 h ILE 235 Cb 0.71 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3hv4 h ILE 235 CO 0.05 0.15 -0.46 -0.07 0.00 0.00 0.00 178.15 177.83 3hv4 h LEU 236 N 0.75 0.19 -1.03 1.44 3.38 -1.18 -0.25 115.31 118.60 3hv4 h LEU 236 Ca 0.20 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hv4 h LEU 236 Cb -0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3hv4 h LEU 236 CO -0.04 0.63 0.65 0.03 0.09 0.00 0.00 178.44 179.80 3hv4 h ARG 237 N 0.15 1.25 0.00 1.13 -0.00 -1.27 0.21 114.38 115.84 3hv4 h ARG 237 Ca 0.01 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.40 3hv4 h ARG 237 Cb 0.87 -0.28 -0.00 0.00 0.00 0.00 0.00 29.97 30.55 3hv4 h ARG 237 CO 0.07 0.83 -0.08 1.25 0.00 0.00 0.00 179.97 182.04 3hv4 h LEU 238 N 1.28 0.00 -0.63 3.04 5.85 -1.28 -3.40 115.31 120.17 3hv4 h LEU 238 Ca 0.38 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3hv4 h LEU 238 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3hv4 h LEU 238 CO -0.10 0.88 -0.54 1.33 -0.34 0.00 0.00 178.44 179.67 3hv4 n VAL 239 N -4.65 0.00 -0.06 1.05 0.24 -0.16 -1.95 118.33 112.80 3hv4 n VAL 239 Ca -0.08 -0.16 0.01 0.00 -2.04 0.00 0.00 64.34 62.06 3hv4 n VAL 239 Cb 0.35 0.96 -0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 1.43 -2.34 3.80 7.63 0.00 0.72 -4.23 105.19 112.20 3hv4 n GLY 240 Ca 0.09 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 3hv4 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hv4 s THR 241 N -2.59 3.74 0.81 2.61 -4.23 -0.74 -4.77 115.64 110.47 3hv4 s THR 241 Ca 0.00 0.74 -0.13 0.00 -1.18 0.00 0.00 61.69 61.12 3hv4 s THR 241 Cb 0.00 -3.31 0.08 0.00 1.34 0.00 0.00 72.50 70.61 3hv4 s THR 241 CO 0.00 -0.57 1.21 -2.84 -0.54 0.00 0.00 174.62 171.88 3hv4 s PRO 242 N -4.35 1.62 0.32 3.99 0.02 -1.26 -4.89 135.00 130.44 3hv4 s PRO 242 Ca 0.63 1.77 0.07 0.00 0.02 0.00 0.00 61.00 63.49 3hv4 s PRO 242 Cb -0.16 -1.77 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3hv4 s PRO 242 CO 0.43 -2.23 0.35 0.20 -0.33 0.00 0.00 177.00 175.41 3hv4 s GLY 243 N -2.14 1.65 0.07 0.52 0.00 -1.26 -4.93 107.32 101.25 3hv4 s GLY 243 Ca 0.73 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 3hv4 s GLY 243 CO 0.51 -1.48 0.41 0.00 0.00 0.00 0.00 173.10 172.54 3hv4 n ALA 244 N -1.45 0.05 -0.12 3.20 0.00 -1.26 -0.21 120.51 120.72 3hv4 n ALA 244 Ca -0.02 0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 3hv4 n ALA 244 Cb 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3hv4 n ALA 244 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hv4 h GLU 245 N 0.00 0.49 -0.15 0.00 4.81 -2.01 -2.75 114.58 114.97 3hv4 h GLU 245 Ca 0.12 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 3hv4 h GLU 245 Cb 0.19 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3hv4 h GLU 245 CO -0.27 0.33 -0.54 1.25 -0.73 0.00 0.00 179.01 179.04 3hv4 h LEU 246 N 0.51 0.50 -1.84 1.64 5.85 -0.97 -3.13 115.31 117.87 3hv4 h LEU 246 Ca 0.15 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3hv4 h LEU 246 Cb -0.04 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3hv4 h LEU 246 CO -0.04 0.94 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.83 3hv4 h LEU 247 N 0.35 0.00 0.00 2.25 3.38 -1.00 -1.67 115.31 118.62 3hv4 h LEU 247 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hv4 h LEU 247 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hv4 h LEU 247 CO 0.10 0.10 0.00 2.29 0.09 0.00 0.00 178.44 181.02 3hv4 n LYS 248 N -4.33 0.82 -0.04 1.13 2.85 -1.12 -3.01 118.16 114.45 3hv4 n LYS 248 Ca -0.03 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.31 3hv4 n LYS 248 Cb 0.18 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.14 3hv4 n LYS 248 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3hv4 n LYS 249 N -1.06 1.28 -2.89 -1.58 5.02 -0.63 -4.93 118.16 113.37 3hv4 n LYS 249 Ca 0.20 -1.49 -0.42 0.00 -2.02 0.00 0.00 58.31 54.58 3hv4 n LYS 249 Cb 0.12 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3hv4 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hv4 s ILE 250 N -1.15 4.70 -0.03 -0.18 1.01 -1.16 -4.93 121.20 119.45 3hv4 s ILE 250 Ca 0.19 1.15 0.12 0.00 0.00 0.00 0.00 60.65 62.11 3hv4 s ILE 250 Cb 0.12 -4.23 -0.19 0.00 0.01 0.00 0.00 42.46 38.17 3hv4 s ILE 250 CO 0.18 -0.39 0.88 0.77 0.00 0.00 0.00 174.94 176.38 3hv4 h SER 251 N 8.30 0.00 -3.03 3.58 4.64 -1.91 -3.45 113.55 121.68 3hv4 h SER 251 Ca -0.24 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.51 3hv4 h SER 251 Cb 1.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 3hv4 h SER 251 CO 0.93 0.88 0.81 -0.55 -0.87 0.00 0.00 176.83 178.03 3hv4 s SER 252 N -6.18 7.05 0.18 4.97 0.15 -1.26 -4.95 113.70 113.66 3hv4 s SER 252 Ca -0.02 1.55 -0.13 0.00 0.70 0.00 0.00 55.95 58.05 3hv4 s SER 252 Cb 0.09 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.94 3hv4 s SER 252 CO 0.82 -0.68 1.81 -0.08 1.20 0.00 0.00 173.24 176.31 3hv4 h GLU 253 N 7.72 0.82 0.00 5.44 4.57 -1.99 -2.03 114.58 129.10 3hv4 h GLU 253 Ca -0.24 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 3hv4 h GLU 253 Cb 1.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3hv4 h GLU 253 CO 0.96 0.60 -0.72 0.66 -1.18 0.00 0.00 179.01 179.33 3hv4 h SER 254 N 0.82 0.00 0.66 1.04 4.64 -1.99 -0.53 113.55 118.19 3hv4 h SER 254 Ca 0.22 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 3hv4 h SER 254 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3hv4 h SER 254 CO -0.04 0.72 -0.48 0.00 -0.87 0.00 0.00 176.83 176.16 3hv4 h ALA 255 N 1.28 -1.17 -0.64 5.18 0.00 -1.97 -1.51 119.26 120.42 3hv4 h ALA 255 Ca -0.01 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.81 3hv4 h ALA 255 Cb 1.53 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.86 3hv4 h ALA 255 CO 0.09 -1.18 0.14 0.00 0.00 0.00 0.00 179.25 178.30 3hv4 h ARG 256 N -1.10 0.25 0.07 0.00 3.08 -1.30 0.14 114.38 115.53 3hv4 h ARG 256 Ca -0.08 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3hv4 h ARG 256 Cb 0.91 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3hv4 h ARG 256 CO 0.04 0.17 -0.13 -0.91 -1.07 0.00 0.00 179.97 178.06 3hv4 h ASN 257 N 0.26 -0.37 0.35 7.04 -0.26 -1.06 -0.82 115.58 120.73 3hv4 h ASN 257 Ca 0.35 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 56.13 3hv4 h ASN 257 Cb 0.54 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 3hv4 h ASN 257 CO -0.44 -0.19 -0.28 0.22 -1.06 0.00 0.00 177.43 175.67 3hv4 h TYR 258 N -0.26 -0.75 -0.91 1.19 5.03 -0.13 -2.02 116.97 119.13 3hv4 h TYR 258 Ca 0.03 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.45 3hv4 h TYR 258 Cb 0.28 0.28 -0.08 0.00 1.55 0.00 0.00 36.73 38.76 3hv4 h TYR 258 CO -0.16 -0.42 0.54 0.82 -1.32 0.00 0.00 178.16 177.62 3hv4 h ILE 259 N -0.64 0.88 -0.00 1.81 2.04 -0.72 -0.66 117.51 120.22 3hv4 h ILE 259 Ca -0.03 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3hv4 h ILE 259 Cb 0.56 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hv4 h ILE 259 CO -0.01 0.16 -0.27 1.56 0.00 0.00 0.00 178.15 179.59 3hv4 h GLN 260 N 0.85 0.00 0.00 2.37 4.20 -0.72 -2.30 115.11 119.51 3hv4 h GLN 260 Ca 0.45 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 3hv4 h GLN 260 Cb 0.47 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3hv4 h GLN 260 CO -0.28 0.27 0.00 -1.13 -0.67 0.00 0.00 178.83 177.02 3hv4 n SER 261 N -4.22 0.14 -4.79 1.46 3.41 -0.26 -4.82 113.62 104.55 3hv4 n SER 261 Ca -0.02 0.56 -0.37 0.00 -0.26 0.00 0.00 58.87 58.77 3hv4 n SER 261 Cb 0.32 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 3hv4 n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hv4 s LEU 262 N -3.35 4.38 0.26 1.04 1.43 -0.87 -5.00 118.68 116.57 3hv4 s LEU 262 Ca 0.01 1.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 3hv4 s LEU 262 Cb 0.04 -3.83 -0.11 0.00 0.03 0.00 0.00 46.19 42.32 3hv4 s LEU 262 CO 0.12 -0.01 1.56 -0.89 0.23 0.00 0.00 176.35 177.36 3hv4 s THR 263 N -1.53 2.30 0.36 5.49 2.01 -1.26 -4.95 115.64 118.06 3hv4 s THR 263 Ca 0.47 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 3hv4 s THR 263 Cb -0.19 -3.16 -0.12 0.00 0.01 0.00 0.00 72.50 69.05 3hv4 s THR 263 CO 0.24 0.04 1.35 1.67 -0.69 0.00 0.00 174.62 177.23 3hv4 n GLN 264 N 2.60 2.29 -4.07 4.92 7.27 -1.26 -4.92 117.38 124.21 3hv4 n GLN 264 Ca 0.09 0.80 -0.19 0.00 0.07 0.00 0.00 57.00 57.77 3hv4 n GLN 264 Cb 0.38 -2.45 -0.16 0.00 2.41 0.00 0.00 30.24 30.42 3hv4 n GLN 264 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3hv4 s MET 265 N -1.99 0.64 0.58 3.69 -1.94 -1.26 -4.99 119.30 114.03 3hv4 s MET 265 Ca 0.55 -0.04 -0.17 0.00 -1.71 0.00 0.00 55.69 54.32 3hv4 s MET 265 Cb -0.53 -0.72 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 3hv4 s MET 265 CO 0.62 -0.11 1.08 -1.25 -0.01 0.00 0.00 175.02 175.36 3hv4 s PRO 266 N 0.98 3.31 0.15 2.03 0.04 -1.26 -1.79 135.00 138.46 3hv4 s PRO 266 Ca -0.10 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 61.96 3hv4 s PRO 266 Cb -0.14 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 3hv4 s PRO 266 CO -0.01 -0.84 1.70 1.17 0.04 0.00 0.00 177.00 179.07 3hv4 n LYS 267 N -1.78 2.48 -2.61 4.56 4.81 -1.26 -3.80 118.16 120.56 3hv4 n LYS 267 Ca 0.10 0.90 -0.33 0.00 -0.87 0.00 0.00 58.31 58.10 3hv4 n LYS 267 Cb 0.52 -2.72 -0.05 0.00 0.02 0.00 0.00 35.03 32.80 3hv4 n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3hv4 s MET 268 N 1.60 4.02 -0.20 1.64 -1.94 -0.82 -4.96 119.30 118.63 3hv4 s MET 268 Ca 0.79 1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 55.62 3hv4 s MET 268 Cb -0.59 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 3hv4 s MET 268 CO 0.37 -0.22 1.69 1.21 -0.01 0.00 0.00 175.02 178.06 3hv4 s ASN 269 N -2.40 6.32 0.37 3.03 3.04 -1.26 -4.90 114.94 119.15 3hv4 s ASN 269 Ca 0.62 1.73 0.06 0.00 0.04 0.00 0.00 52.86 55.32 3hv4 s ASN 269 Cb -0.11 -2.53 0.72 0.00 -1.54 0.00 0.00 41.25 37.79 3hv4 s ASN 269 CO 0.20 -1.29 1.94 -0.26 -3.04 0.00 0.00 177.10 174.66 3hv4 h PHE 270 N 11.00 0.47 -0.48 0.43 0.05 -1.95 -2.03 116.94 124.43 3hv4 h PHE 270 Ca -0.35 -0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.35 3hv4 h PHE 270 Cb 1.17 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.95 3hv4 h PHE 270 CO 0.91 0.43 0.06 0.00 -0.18 0.00 0.00 178.31 179.54 3hv4 h ALA 271 N 1.61 1.21 -0.16 2.45 0.00 -1.90 0.51 119.26 122.97 3hv4 h ALA 271 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hv4 h ALA 271 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hv4 h ALA 271 CO 0.00 0.53 -0.28 -0.97 0.00 0.00 0.00 179.25 178.54 3hv4 h ASN 272 N 0.72 0.52 0.08 0.00 -1.24 -1.88 -3.09 115.58 110.69 3hv4 h ASN 272 Ca 0.15 -0.54 0.02 0.00 0.71 0.00 0.00 56.30 56.64 3hv4 h ASN 272 Cb 0.35 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 3hv4 h ASN 272 CO 0.01 0.96 -0.17 0.58 -1.29 0.00 0.00 177.43 177.51 3hv4 h VAL 273 N 0.09 0.60 -2.24 2.57 2.07 -1.08 -3.02 116.25 115.23 3hv4 h VAL 273 Ca 0.01 0.00 -0.81 0.00 0.82 0.00 0.00 66.70 66.72 3hv4 h VAL 273 Cb 0.86 0.60 -0.27 0.00 -1.52 0.00 0.00 31.29 30.96 3hv4 h VAL 273 CO 0.06 0.00 1.03 0.49 0.02 0.00 0.00 177.57 179.17 3hv4 n PHE 274 N -5.30 2.79 0.25 1.57 3.01 0.14 -4.78 117.46 115.14 3hv4 n PHE 274 Ca -0.06 -2.56 0.17 0.00 1.01 0.00 0.00 57.45 56.01 3hv4 n PHE 274 Cb 0.22 -1.19 0.90 0.00 -0.01 0.00 0.00 39.48 39.39 3hv4 n PHE 274 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3hv4 h ILE 275 N 2.21 0.39 -0.10 4.37 6.09 -1.44 -2.14 117.51 126.90 3hv4 h ILE 275 Ca 0.54 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.97 3hv4 h ILE 275 Cb 0.31 0.88 -0.00 0.00 0.47 0.00 0.00 36.82 38.48 3hv4 h ILE 275 CO 1.19 0.00 -0.15 1.23 -3.07 0.00 0.00 178.15 177.35 3hv4 h GLY 276 N 0.00 0.30 -1.84 8.18 0.00 -1.87 -3.49 103.07 104.35 3hv4 h GLY 276 Ca 0.05 -0.33 -0.53 0.00 0.00 0.00 0.00 47.33 46.52 3hv4 h GLY 276 CO -0.00 0.30 0.41 0.00 0.00 0.00 0.00 176.54 177.25 3hv4 s ALA 277 N -4.10 2.32 0.15 3.60 0.00 -0.81 -4.97 121.76 117.96 3hv4 s ALA 277 Ca -0.15 0.83 -0.34 0.00 0.00 0.00 0.00 51.96 52.31 3hv4 s ALA 277 Cb 0.04 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 3hv4 s ALA 277 CO 0.74 -1.53 1.40 -1.71 0.00 0.00 0.00 175.76 174.67 3hv4 n ASN 278 N -2.32 2.28 0.26 0.00 2.85 -1.26 -4.86 115.26 112.20 3hv4 n ASN 278 Ca 0.13 1.11 0.10 0.00 -0.11 0.00 0.00 54.58 55.81 3hv4 n ASN 278 Cb 0.50 -1.32 0.68 0.00 1.24 0.00 0.00 39.78 40.89 3hv4 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hv4 h PRO 279 N 4.76 0.00 -0.06 1.20 0.11 -1.96 -0.90 132.00 135.15 3hv4 h PRO 279 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 3hv4 h PRO 279 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3hv4 h PRO 279 CO 0.80 0.10 -0.62 -0.07 -0.21 0.00 0.00 178.00 177.99 3hv4 h LEU 280 N 0.00 0.25 -0.27 2.35 3.38 -1.98 -0.56 115.31 118.48 3hv4 h LEU 280 Ca -0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3hv4 h LEU 280 Cb 0.20 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3hv4 h LEU 280 CO 0.01 0.81 -0.04 0.00 0.09 0.00 0.00 178.44 179.32 3hv4 h ALA 281 N 1.19 0.36 -0.81 1.53 0.00 -1.58 -1.74 119.26 118.22 3hv4 h ALA 281 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hv4 h ALA 281 Cb 1.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3hv4 h ALA 281 CO 0.10 0.14 0.50 0.28 0.00 0.00 0.00 179.25 180.27 3hv4 h VAL 282 N 0.26 1.22 -0.87 0.00 2.07 -1.21 -0.52 116.25 117.21 3hv4 h VAL 282 Ca 0.07 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3hv4 h VAL 282 Cb 0.49 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3hv4 h VAL 282 CO 0.02 0.23 0.54 -0.78 0.02 0.00 0.00 177.57 177.59 3hv4 h ASP 283 N 1.11 1.04 -0.41 0.57 3.58 -0.92 -0.75 116.42 120.65 3hv4 h ASP 283 Ca 0.29 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.55 3hv4 h ASP 283 Cb -0.07 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.71 3hv4 h ASP 283 CO -0.06 0.79 -0.26 0.25 -2.88 0.00 0.00 179.24 177.09 3hv4 h LEU 284 N 1.20 0.93 -0.43 2.28 5.85 -0.61 -2.93 115.31 121.59 3hv4 h LEU 284 Ca 0.31 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3hv4 h LEU 284 Cb -0.07 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 3hv4 h LEU 284 CO -0.06 1.15 0.11 -0.07 -0.34 0.00 0.00 178.44 179.23 3hv4 h LEU 285 N 0.71 0.05 -1.94 2.25 3.38 -0.69 0.48 115.31 119.56 3hv4 h LEU 285 Ca 0.08 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hv4 h LEU 285 Cb 0.83 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3hv4 h LEU 285 CO 0.07 0.06 0.26 -0.33 0.09 0.00 0.00 178.44 178.59 3hv4 h GLU 286 N 0.25 0.00 0.00 1.13 5.08 -0.96 -0.05 114.58 120.03 3hv4 h GLU 286 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hv4 h GLU 286 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hv4 h GLU 286 CO -0.25 0.00 -1.04 1.63 -1.00 0.00 0.00 179.01 178.34 3hv4 n LYS 287 N -2.75 1.26 -0.07 2.33 5.02 0.08 -4.41 118.16 119.62 3hv4 n LYS 287 Ca -0.02 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.01 3hv4 n LYS 287 Cb 0.30 -1.32 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 3hv4 n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hv4 n MET 288 N -1.57 0.65 -2.17 1.97 2.81 -0.50 -2.03 117.12 116.27 3hv4 n MET 288 Ca 0.02 0.37 -0.42 0.00 -1.81 0.00 0.00 57.70 55.86 3hv4 n MET 288 Cb 0.31 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 -3.92 7.09 -4.26 4.03 4.77 -0.15 -4.42 117.00 120.13 3hv4 n LEU 289 Ca -0.37 -4.66 -0.32 0.00 -0.03 0.00 0.00 56.01 50.64 3hv4 n LEU 289 Cb 0.88 -1.46 -0.16 0.00 -2.33 0.00 0.00 43.42 40.34 3hv4 n LEU 289 CO 0.27 1.55 -0.55 -0.69 -1.33 0.00 0.00 177.39 176.64 3hv4 s VAL 290 N 0.27 2.16 0.08 4.08 1.01 -1.26 -4.90 120.40 121.83 3hv4 s VAL 290 Ca 0.45 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 3hv4 s VAL 290 Cb 0.12 -1.81 -0.16 0.00 0.00 0.00 0.00 36.38 34.54 3hv4 s VAL 290 CO -0.03 0.56 1.67 0.25 0.00 0.00 0.00 175.10 177.56 3hv4 h LEU 291 N 6.33 -0.13 -9.01 3.92 5.85 -1.91 -3.39 115.31 116.98 3hv4 h LEU 291 Ca -0.27 -0.04 -0.57 0.00 0.84 0.00 0.00 57.88 57.84 3hv4 h LEU 291 Cb 1.20 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3hv4 h LEU 291 CO 0.48 -0.04 1.15 -0.62 -0.34 0.00 0.00 178.44 179.06 3hv4 s ASP 292 N -5.11 6.31 0.56 1.25 -1.08 -1.26 -4.90 116.67 112.44 3hv4 s ASP 292 Ca -0.14 1.56 0.25 0.00 -0.52 0.00 0.00 52.55 53.70 3hv4 s ASP 292 Cb 0.05 -2.53 1.61 0.00 -1.46 0.00 0.00 42.92 40.59 3hv4 s ASP 292 CO 0.65 -1.32 2.20 0.77 0.52 0.00 0.00 175.17 177.99 3hv4 h SER 293 N 11.03 0.00 1.10 -0.34 4.64 -1.98 -1.33 113.55 126.67 3hv4 h SER 293 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3hv4 h SER 293 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3hv4 h SER 293 CO 1.01 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 177.45 3hv4 n ASP 294 N -4.05 0.73 -0.17 4.97 8.00 -1.26 -2.97 116.55 121.80 3hv4 n ASP 294 Ca -0.03 0.62 0.09 0.00 0.71 0.00 0.00 54.79 56.18 3hv4 n ASP 294 Cb 0.10 -0.80 -0.07 0.00 -0.02 0.00 0.00 41.12 40.34 3hv4 n ASP 294 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hv4 n LYS 295 N -2.24 1.09 -2.19 -1.24 4.76 -0.51 -4.93 118.16 112.89 3hv4 n LYS 295 Ca 0.04 -0.35 -0.41 0.00 -2.87 0.00 0.00 58.31 54.72 3hv4 n LYS 295 Cb 0.33 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.55 4.40 0.41 1.97 0.52 -1.16 -4.98 118.95 117.57 3hv4 s ARG 296 Ca 0.11 2.11 -0.27 0.00 -0.52 0.00 0.00 55.73 57.16 3hv4 s ARG 296 Cb 0.15 -3.13 -0.10 0.00 0.52 0.00 0.00 34.95 32.39 3hv4 s ARG 296 CO 0.66 -0.16 1.46 -1.50 0.02 0.00 0.00 175.30 175.78 3hv4 s ILE 297 N -0.69 2.05 0.81 1.52 2.07 -0.86 -5.03 121.20 121.07 3hv4 s ILE 297 Ca 0.51 0.05 -0.10 0.00 -1.41 0.00 0.00 60.65 59.70 3hv4 s ILE 297 Cb -0.38 -3.03 0.10 0.00 0.13 0.00 0.00 42.46 39.29 3hv4 s ILE 297 CO 0.46 0.01 1.15 0.42 -1.91 0.00 0.00 174.94 175.07 3hv4 s THR 298 N -1.15 2.10 0.06 4.00 -4.23 -1.26 -4.86 115.64 110.29 3hv4 s THR 298 Ca 0.56 -0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.77 3hv4 s THR 298 Cb -0.45 -2.97 -0.13 0.00 1.34 0.00 0.00 72.50 70.29 3hv4 s THR 298 CO 0.60 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 176.02 3hv4 h ALA 299 N -1.01 0.29 -0.12 3.99 0.00 -1.93 0.16 119.26 120.63 3hv4 h ALA 299 Ca -0.44 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.11 3hv4 h ALA 299 Cb 1.30 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3hv4 h ALA 299 CO 0.56 0.30 -0.25 0.00 0.00 0.00 0.00 179.25 179.86 3hv4 h ALA 300 N 0.61 -0.25 -0.41 0.00 0.00 -1.95 -0.09 119.26 117.16 3hv4 h ALA 300 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hv4 h ALA 300 Cb 0.87 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 3hv4 h ALA 300 CO 0.07 -0.72 0.15 1.96 0.00 0.00 0.00 179.25 180.70 3hv4 h GLN 301 N -0.33 0.30 -0.37 0.00 4.20 -1.94 -2.85 115.11 114.13 3hv4 h GLN 301 Ca 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3hv4 h GLN 301 Cb 0.47 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3hv4 h GLN 301 CO -0.31 0.20 0.20 0.00 -0.67 0.00 0.00 178.83 178.26 3hv4 h ALA 302 N 1.27 1.67 -0.56 3.87 0.00 -0.11 -2.11 119.26 123.28 3hv4 h ALA 302 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hv4 h ALA 302 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3hv4 h ALA 302 CO -0.19 0.28 0.30 -0.07 0.00 0.00 0.00 179.25 179.57 3hv4 h LEU 303 N 0.50 0.69 -0.79 0.00 3.38 -0.79 -2.45 115.31 115.85 3hv4 h LEU 303 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hv4 h LEU 303 Cb 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hv4 h LEU 303 CO -0.02 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.07 3hv4 n ALA 304 N -2.45 2.54 -1.77 1.53 0.00 -0.80 -4.70 120.51 114.85 3hv4 n ALA 304 Ca 0.05 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 3hv4 n ALA 304 Cb 0.10 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3hv4 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hv4 s HIS 305 N -1.84 3.76 0.54 0.00 5.04 -0.92 -4.94 115.29 116.93 3hv4 s HIS 305 Ca 0.30 1.82 0.29 0.00 -1.54 0.00 0.00 55.06 55.92 3hv4 s HIS 305 Cb 0.16 -2.94 1.45 0.00 0.04 0.00 0.00 32.58 31.28 3hv4 s HIS 305 CO 0.24 0.26 1.94 0.00 -2.34 0.00 0.00 174.74 174.83 3hv4 h ALA 306 N 3.42 2.64 -0.62 1.58 0.00 -1.91 -1.26 119.26 123.11 3hv4 h ALA 306 Ca -0.46 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.58 3hv4 h ALA 306 Cb 1.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hv4 h ALA 306 CO 0.66 -0.88 0.44 -0.92 0.00 0.00 0.00 179.25 178.55 3hv4 h TYR 307 N 0.00 0.15 -1.00 0.00 3.20 -1.92 -0.51 116.97 116.90 3hv4 h TYR 307 Ca 0.33 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.69 3hv4 h TYR 307 Cb 1.36 -0.05 -0.31 0.00 1.54 0.00 0.00 36.73 39.28 3hv4 h TYR 307 CO 0.00 0.06 0.66 1.19 -1.64 0.00 0.00 178.16 178.42 3hv4 n PHE 308 N -4.40 3.07 0.02 -3.82 3.01 -0.47 -4.71 117.46 110.15 3hv4 n PHE 308 Ca 0.12 -1.84 0.03 0.00 1.01 0.00 0.00 57.45 56.76 3hv4 n PHE 308 Cb 0.61 -0.95 0.40 0.00 -0.01 0.00 0.00 39.48 39.53 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 1.01 1.62 0.00 4.37 0.00 -1.24 -0.44 119.26 124.58 3hv4 h ALA 309 Ca 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 3hv4 h ALA 309 Cb 2.87 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 20.51 3hv4 h ALA 309 CO 1.11 0.31 -0.10 0.37 0.00 0.00 0.00 179.25 180.93 3hv4 h GLN 310 N 0.51 0.00 0.00 0.00 5.75 -1.84 -3.34 115.11 116.18 3hv4 h GLN 310 Ca 0.13 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3hv4 h GLN 310 Cb 0.06 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 3hv4 h GLN 310 CO -0.02 0.10 -1.17 0.66 -2.65 0.00 0.00 178.83 175.75 3hv4 n TYR 311 N -3.28 0.00 -1.72 3.99 4.02 -0.54 -5.04 117.16 114.59 3hv4 n TYR 311 Ca -0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 3hv4 n TYR 311 Cb 0.33 -0.11 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 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 -1.87 2.68 -3.17 -0.72 -0.00 -0.29 -4.99 115.22 106.86 3hv4 n HIS 312 Ca -0.03 0.28 0.02 0.00 0.46 0.00 0.00 57.72 58.46 3hv4 n HIS 312 Cb 0.35 -2.57 -0.01 0.00 -0.12 0.00 0.00 29.99 27.64 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 0.49 -1.28 0.41 0.26 2.15 -1.26 -5.02 116.67 112.42 3hv4 s ASP 313 Ca 0.66 0.31 0.28 0.00 0.43 0.00 0.00 52.55 54.23 3hv4 s ASP 313 Cb -0.54 1.94 1.45 0.00 -0.30 0.00 0.00 42.92 45.47 3hv4 s ASP 313 CO 0.48 -0.30 1.85 1.55 -0.17 0.00 0.00 175.17 178.59 3hv4 h PRO 314 N 8.02 0.00 -0.53 4.34 0.13 -1.96 -1.21 132.00 140.79 3hv4 h PRO 314 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3hv4 h PRO 314 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hv4 h PRO 314 CO 0.20 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.72 3hv4 n ASP 315 N -2.49 3.59 -2.69 1.44 10.43 -1.26 -4.19 116.55 121.37 3hv4 n ASP 315 Ca -0.01 -1.99 -0.07 0.00 2.57 0.00 0.00 54.79 55.28 3hv4 n ASP 315 Cb 0.09 -0.35 0.03 0.00 1.84 0.00 0.00 41.12 42.73 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 1.52 1.57 -3.29 -2.24 4.64 -0.46 -4.92 116.55 113.37 3hv4 n ASP 316 Ca 0.21 -2.58 -0.25 0.00 -1.38 0.00 0.00 54.79 50.79 3hv4 n ASP 316 Cb 0.60 -0.52 -0.08 0.00 -1.04 0.00 0.00 41.12 40.08 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 -0.20 0.71 -1.47 -0.67 1.02 -1.23 -4.88 120.64 113.92 3hv4 n GLU 317 Ca 0.09 -3.34 -0.30 0.00 -0.02 0.00 0.00 57.16 53.59 3hv4 n GLU 317 Cb 0.81 -1.46 0.11 0.00 -0.02 0.00 0.00 31.44 30.89 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 -0.90 1.68 0.30 3.49 0.04 -1.26 -4.97 135.00 133.38 3hv4 s PRO 318 Ca 0.34 0.60 0.10 0.00 0.04 0.00 0.00 61.00 62.09 3hv4 s PRO 318 Cb 0.12 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 3hv4 s PRO 318 CO -0.13 -1.89 -0.08 0.14 0.04 0.00 0.00 177.00 175.08 3hv4 s VAL 319 N -3.13 2.73 0.98 -0.36 -7.23 -1.26 -4.18 120.40 107.96 3hv4 s VAL 319 Ca 0.62 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 3hv4 s VAL 319 Cb -0.15 -2.62 0.18 0.00 0.56 0.00 0.00 36.38 34.35 3hv4 s VAL 319 CO 0.55 -0.31 1.11 0.00 -0.31 0.00 0.00 175.10 176.13 3hv4 s ALA 320 N -2.48 0.91 0.82 1.32 0.00 -1.26 -5.03 121.76 116.04 3hv4 s ALA 320 Ca 0.32 0.33 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 3hv4 s ALA 320 Cb -0.03 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.81 3hv4 s ALA 320 CO 0.18 -3.03 1.18 0.16 0.00 0.00 0.00 175.76 174.24 3hv4 s ASP 321 N -2.69 4.35 0.00 0.00 1.47 -1.26 -4.95 116.67 113.59 3hv4 s ASP 321 Ca 0.67 0.65 0.21 0.00 1.18 0.00 0.00 52.55 55.26 3hv4 s ASP 321 Cb -0.23 -1.10 1.17 0.00 -0.34 0.00 0.00 42.92 42.42 3hv4 s ASP 321 CO 0.60 -1.98 1.66 -0.81 0.68 0.00 0.00 175.17 175.31 3hv4 n PRO 322 N -3.32 0.51 -2.03 2.11 -0.04 -1.26 -4.82 135.00 126.14 3hv4 n PRO 322 Ca 0.09 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 3hv4 n PRO 322 Cb 0.61 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 3hv4 n PRO 322 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3hv4 s TYR 323 N -2.25 3.12 0.08 0.54 1.51 -1.26 -4.90 117.35 114.19 3hv4 s TYR 323 Ca 0.27 0.81 -0.31 0.00 -1.01 0.00 0.00 57.07 56.83 3hv4 s TYR 323 Cb 0.14 -3.82 -0.07 0.00 -0.11 0.00 0.00 41.96 38.10 3hv4 s TYR 323 CO 0.28 -2.93 1.38 0.34 -1.11 0.00 0.00 175.55 173.51 3hv4 s ASP 324 N 0.98 6.84 0.00 2.29 2.15 -1.26 -4.92 116.67 122.75 3hv4 s ASP 324 Ca 0.66 2.26 0.05 0.00 0.43 0.00 0.00 52.55 55.95 3hv4 s ASP 324 Cb -0.41 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 39.69 3hv4 s ASP 324 CO 0.33 -0.66 0.74 0.00 -0.17 0.00 0.00 175.17 175.41 3hv4 n GLN 325 N 4.30 0.22 -3.60 4.34 1.13 -1.26 -4.86 117.38 117.66 3hv4 n GLN 325 Ca 0.12 -0.96 -0.29 0.00 -1.94 0.00 0.00 57.00 53.93 3hv4 n GLN 325 Cb 0.43 -1.11 -0.12 0.00 0.11 0.00 0.00 30.24 29.55 3hv4 n GLN 325 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hv4 s SER 326 N -0.53 3.20 -0.09 1.08 1.04 -1.26 -4.93 113.70 112.21 3hv4 s SER 326 Ca 0.07 -2.59 0.19 0.00 0.48 0.00 0.00 55.95 54.10 3hv4 s SER 326 Cb 0.05 -0.77 0.42 0.00 0.10 0.00 0.00 66.02 65.81 3hv4 s SER 326 CO 0.07 -0.26 1.19 2.22 0.98 0.00 0.00 173.24 177.44 3hv4 n PHE 327 N 3.55 0.00 -0.25 5.02 -1.74 -1.26 -4.84 117.46 117.95 3hv4 n PHE 327 Ca 0.13 -0.93 0.24 0.00 -0.56 0.00 0.00 57.45 56.33 3hv4 n PHE 327 Cb 0.37 -0.19 0.44 0.00 1.52 0.00 0.00 39.48 41.62 3hv4 n PHE 327 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 3hv4 n GLU 328 N -0.24 -0.04 -0.25 3.97 2.13 -1.26 -2.24 120.64 122.71 3hv4 n GLU 328 Ca 0.12 0.99 -0.04 0.00 0.66 0.00 0.00 57.16 58.89 3hv4 n GLU 328 Cb 0.94 -1.81 0.02 0.00 0.27 0.00 0.00 31.44 30.86 3hv4 n GLU 328 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 3hv4 h SER 329 N 0.00 -1.20 -0.77 4.31 0.02 -2.04 -3.44 113.55 110.43 3hv4 h SER 329 Ca 0.62 0.25 -0.65 0.00 -0.84 0.00 0.00 61.79 61.17 3hv4 h SER 329 Cb 1.70 0.61 0.02 0.00 0.14 0.00 0.00 62.40 64.87 3hv4 h SER 329 CO -0.53 -0.30 0.37 0.54 -1.14 0.00 0.00 176.83 175.77 3hv4 n ARG 330 N -5.45 0.00 -1.89 3.45 1.74 -0.95 -4.86 116.66 108.70 3hv4 n ARG 330 Ca 0.06 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 3hv4 n ARG 330 Cb 0.37 -1.15 0.04 0.00 -1.02 0.00 0.00 32.46 30.70 3hv4 n ARG 330 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hv4 n ASP 331 N 2.45 6.30 -4.69 0.55 2.03 -1.26 -5.05 116.55 116.88 3hv4 n ASP 331 Ca 0.21 -3.78 -0.26 0.00 0.52 0.00 0.00 54.79 51.48 3hv4 n ASP 331 Cb -0.01 -0.72 0.10 0.00 -0.72 0.00 0.00 41.12 39.77 3hv4 n ASP 331 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hv4 s LEU 332 N -3.77 2.84 0.03 -2.67 1.02 -1.26 -5.10 118.68 109.77 3hv4 s LEU 332 Ca 0.55 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.91 3hv4 s LEU 332 Cb 0.44 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3hv4 s LEU 332 CO -0.13 -1.91 0.08 -0.76 0.02 0.00 0.00 176.35 173.65 3hv4 s LEU 333 N -5.36 3.88 0.57 1.79 1.02 -1.26 -5.00 118.68 114.32 3hv4 s LEU 333 Ca 0.65 0.10 0.37 0.00 0.02 0.00 0.00 54.13 55.26 3hv4 s LEU 333 Cb -0.08 -2.37 1.44 0.00 0.02 0.00 0.00 46.19 45.20 3hv4 s LEU 333 CO 0.46 0.23 1.63 0.16 0.02 0.00 0.00 176.35 178.85 3hv4 h ILE 334 N 2.94 0.18 0.00 -0.59 -0.00 -1.93 0.69 117.51 118.80 3hv4 h ILE 334 Ca -0.48 0.00 -0.08 0.00 -0.00 0.00 0.00 64.86 64.30 3hv4 h ILE 334 Cb 1.17 0.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.20 3hv4 h ILE 334 CO 0.64 0.00 -0.39 0.44 -0.00 0.00 0.00 178.15 178.84 3hv4 h ASP 335 N 0.00 0.00 0.03 2.16 3.45 -1.96 -0.66 116.42 119.44 3hv4 h ASP 335 Ca 0.61 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.98 3hv4 h ASP 335 Cb 2.72 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 41.50 3hv4 h ASP 335 CO -0.01 0.39 -0.35 -0.08 -1.57 0.00 0.00 179.24 177.62 3hv4 h GLU 336 N 0.00 0.19 -0.45 3.56 4.81 0.00 -2.14 114.58 120.55 3hv4 h GLU 336 Ca -0.00 -0.24 0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3hv4 h GLU 336 Cb 0.79 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.18 3hv4 h GLU 336 CO 0.05 1.02 0.02 -1.49 -0.73 0.00 0.00 179.01 177.87 3hv4 h TRP 337 N -0.52 0.00 0.15 0.92 -0.00 -1.57 0.29 115.95 115.22 3hv4 h TRP 337 Ca -0.05 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 3hv4 h TRP 337 Cb 1.16 0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 30.35 3hv4 h TRP 337 CO 0.20 -0.08 -0.43 -0.22 -0.00 0.00 0.00 178.44 177.91 3hv4 h LYS 338 N 0.13 -0.65 -0.05 0.49 3.64 -1.13 0.14 116.57 119.14 3hv4 h LYS 338 Ca 0.23 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3hv4 h LYS 338 Cb 0.33 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3hv4 h LYS 338 CO -0.36 -0.43 -0.03 0.66 -2.27 0.00 0.00 179.45 177.02 3hv4 h SER 339 N -0.68 -0.09 -0.97 4.20 4.64 -0.88 0.15 113.55 119.92 3hv4 h SER 339 Ca 0.01 0.02 0.14 0.00 -0.47 0.00 0.00 61.79 61.50 3hv4 h SER 339 Cb 0.69 0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.74 3hv4 h SER 339 CO -0.23 -0.04 0.59 -0.07 -0.87 0.00 0.00 176.83 176.21 3hv4 h LEU 340 N -0.03 0.82 -0.12 5.97 3.38 -0.25 0.14 115.31 125.22 3hv4 h LEU 340 Ca 0.03 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hv4 h LEU 340 Cb 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hv4 h LEU 340 CO -0.06 0.39 0.01 0.74 0.09 0.00 0.00 178.44 179.60 3hv4 h THR 341 N 0.86 1.23 -0.77 0.22 2.02 -0.15 -2.66 112.91 113.67 3hv4 h THR 341 Ca 0.51 -0.75 0.17 0.00 0.77 0.00 0.00 66.41 67.12 3hv4 h THR 341 Cb 0.62 1.50 -0.12 0.00 -1.74 0.00 0.00 68.15 68.41 3hv4 h THR 341 CO -0.31 0.22 0.19 0.22 0.37 0.00 0.00 175.52 176.21 3hv4 h TYR 342 N -0.04 0.29 -0.16 3.16 3.20 0.12 0.17 116.97 123.72 3hv4 h TYR 342 Ca 0.04 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.00 3hv4 h TYR 342 Cb 0.32 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 3hv4 h TYR 342 CO 0.02 -0.11 -0.23 -0.44 -1.64 0.00 0.00 178.16 175.77 3hv4 h ASP 343 N 0.26 -0.71 -0.87 -2.11 3.32 -0.62 -1.15 116.42 114.54 3hv4 h ASP 343 Ca 0.44 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.64 3hv4 h ASP 343 Cb 0.79 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 3hv4 h ASP 343 CO -0.54 -0.28 0.58 -0.33 -1.72 0.00 0.00 179.24 176.95 3hv4 h GLU 344 N -0.28 1.09 -0.04 3.56 4.39 -0.69 0.20 114.58 122.81 3hv4 h GLU 344 Ca 0.11 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3hv4 h GLU 344 Cb 0.44 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3hv4 h GLU 344 CO -0.32 0.72 0.02 0.28 -1.16 0.00 0.00 179.01 178.55 3hv4 h VAL 345 N 1.12 1.14 -0.28 3.13 2.07 -0.14 -2.09 116.25 121.19 3hv4 h VAL 345 Ca 0.34 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.29 3hv4 h VAL 345 Cb -0.03 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3hv4 h VAL 345 CO -0.09 0.11 -0.45 0.40 0.02 0.00 0.00 177.57 177.56 3hv4 h ILE 346 N -0.09 1.29 0.00 4.57 2.04 -0.85 -3.24 117.51 121.23 3hv4 h ILE 346 Ca 0.01 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3hv4 h ILE 346 Cb 0.17 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3hv4 h ILE 346 CO -0.00 0.53 0.00 -1.54 0.00 0.00 0.00 178.15 177.14 3hv4 n SER 347 N -4.02 0.31 -4.67 1.72 3.41 0.65 -4.85 113.62 106.17 3hv4 n SER 347 Ca -0.02 0.55 -0.48 0.00 -0.26 0.00 0.00 58.87 58.65 3hv4 n SER 347 Cb 0.56 -0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 63.84 3hv4 n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hv4 n PHE 348 N -1.81 2.23 -4.38 7.33 7.35 -0.80 -5.00 117.46 122.38 3hv4 n PHE 348 Ca 0.05 0.20 -0.34 0.00 -0.76 0.00 0.00 57.45 56.60 3hv4 n PHE 348 Cb 0.30 -2.57 -0.12 0.00 0.35 0.00 0.00 39.48 37.44 3hv4 n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3hv4 s VAL 349 N 2.35 3.96 1.17 -2.13 1.01 -1.26 -5.08 120.40 120.43 3hv4 s VAL 349 Ca 0.86 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 3hv4 s VAL 349 Cb -0.73 -2.74 0.29 0.00 0.00 0.00 0.00 36.38 33.20 3hv4 s VAL 349 CO 0.46 0.50 1.03 -2.84 0.00 0.00 0.00 175.10 174.24 3hv4 s PRO 350 N 0.31 -0.98 0.91 2.72 0.02 -1.26 -5.06 135.00 131.66 3hv4 s PRO 350 Ca -0.03 0.90 -0.14 0.00 0.02 0.00 0.00 61.00 61.75 3hv4 s PRO 350 Cb -0.14 -1.54 0.17 0.00 0.02 0.00 0.00 34.50 33.01 3hv4 s PRO 350 CO 0.03 -3.78 1.27 -1.25 -0.33 0.00 0.00 177.00 172.93 3hv4 s PRO 351 N -4.43 1.00 0.00 5.54 0.04 -1.26 -5.15 135.00 130.74 3hv4 s PRO 351 Ca 0.69 -0.36 0.23 0.00 0.04 0.00 0.00 61.00 61.60 3hv4 s PRO 351 Cb -0.25 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.56 3hv4 s PRO 351 CO 0.65 -2.16 1.22 -0.35 0.04 0.00 0.00 177.00 176.40