#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ip4 s HIS 2 N 0.00 3.67 0.05 2.03 0.09 -1.26 -5.02 115.29 114.85 3ip4 s HIS 2 Ca 0.00 0.78 -0.00 0.00 -0.00 0.00 0.00 55.06 55.84 3ip4 s HIS 2 Cb 0.00 -2.13 -0.03 0.00 -0.00 0.00 0.00 32.58 30.41 3ip4 s HIS 2 CO 0.00 0.68 -0.04 -0.59 -0.00 0.00 0.00 174.74 174.79 3ip4 s PHE 3 N -1.07 0.53 -0.18 1.40 -0.71 -1.26 -0.02 117.98 116.66 3ip4 s PHE 3 Ca 0.20 -0.89 -0.13 0.00 -1.04 0.00 0.00 56.93 55.07 3ip4 s PHE 3 Cb -0.15 -0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.25 3ip4 s PHE 3 CO 0.10 -0.29 0.26 -2.00 -1.34 0.00 0.00 175.22 171.95 3ip4 s GLU 4 N -3.22 4.23 -0.39 1.99 2.12 0.79 -4.85 118.70 119.36 3ip4 s GLU 4 Ca 0.02 0.02 -0.19 0.00 0.36 0.00 0.00 54.97 55.18 3ip4 s GLU 4 Cb 0.03 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.98 3ip4 s GLU 4 CO -0.07 0.21 0.54 0.99 -0.54 0.00 0.00 175.26 176.39 3ip4 s THR 5 N 0.56 4.97 -0.24 -1.70 2.01 -1.26 -1.12 115.64 118.85 3ip4 s THR 5 Ca 0.14 0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 3ip4 s THR 5 Cb -0.13 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3ip4 s THR 5 CO 0.03 -0.37 0.08 -0.69 -0.69 0.00 0.00 174.62 172.98 3ip4 s VAL 6 N 2.47 4.47 0.00 3.82 1.01 -0.66 -4.09 120.40 127.42 3ip4 s VAL 6 Ca 0.19 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3ip4 s VAL 6 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3ip4 s VAL 6 CO 0.15 0.34 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 3ip4 s ILE 7 N 1.48 1.39 0.02 2.22 1.01 -0.08 -1.82 121.20 125.43 3ip4 s ILE 7 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3ip4 s ILE 7 Cb -0.15 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 3ip4 s ILE 7 CO 0.04 0.32 -0.12 -0.83 0.00 0.00 0.00 174.94 174.36 3ip4 s GLY 8 N -0.59 0.65 -0.08 6.18 0.00 0.23 -2.49 107.32 111.23 3ip4 s GLY 8 Ca 0.06 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.15 3ip4 s GLY 8 CO -0.00 -0.64 -0.22 1.08 0.00 0.00 0.00 173.10 173.31 3ip4 s LEU 9 N -0.85 2.02 -0.35 0.66 1.43 -1.26 -0.68 118.68 119.64 3ip4 s LEU 9 Ca 0.01 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.54 3ip4 s LEU 9 Cb -0.07 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.90 3ip4 s LEU 9 CO 0.01 0.17 0.13 -0.70 0.23 0.00 0.00 176.35 176.19 3ip4 s GLU 10 N 0.19 2.64 -0.02 1.70 2.12 -0.17 -2.01 118.70 123.15 3ip4 s GLU 10 Ca -0.12 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.02 3ip4 s GLU 10 Cb -0.16 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 3ip4 s GLU 10 CO 0.06 -0.69 0.02 0.08 -0.54 0.00 0.00 175.26 174.19 3ip4 s VAL 11 N 1.42 4.32 -0.04 3.70 1.01 0.03 -0.92 120.40 129.92 3ip4 s VAL 11 Ca -0.01 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3ip4 s VAL 11 Cb -0.20 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3ip4 s VAL 11 CO 0.03 0.42 -0.20 -1.00 0.00 0.00 0.00 175.10 174.35 3ip4 s HIS 12 N -1.06 1.94 -0.08 5.22 3.76 -0.29 0.12 115.29 124.91 3ip4 s HIS 12 Ca 0.19 -0.52 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3ip4 s HIS 12 Cb -0.12 -1.28 0.01 0.00 1.11 0.00 0.00 32.58 32.30 3ip4 s HIS 12 CO 0.09 -0.14 -0.17 0.08 -0.85 0.00 0.00 174.74 173.75 3ip4 s VAL 13 N -0.15 1.49 -0.16 -0.90 1.01 -0.37 -0.60 120.40 120.72 3ip4 s VAL 13 Ca -0.01 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 3ip4 s VAL 13 Cb -0.11 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3ip4 s VAL 13 CO 0.02 0.43 0.77 -1.61 0.00 0.00 0.00 175.10 174.71 3ip4 s GLU 14 N 0.56 4.29 0.15 2.72 2.02 -0.72 -1.53 118.70 126.19 3ip4 s GLU 14 Ca -0.16 0.90 -0.30 0.00 0.02 0.00 0.00 54.97 55.43 3ip4 s GLU 14 Cb -0.17 -3.56 -0.07 0.00 0.10 0.00 0.00 34.13 30.44 3ip4 s GLU 14 CO 0.05 -0.26 0.95 -0.51 0.02 0.00 0.00 175.26 175.52 3ip4 s LEU 15 N 1.92 4.54 -1.01 1.80 1.02 -0.72 -4.49 118.68 121.74 3ip4 s LEU 15 Ca 0.36 1.84 -0.04 0.00 0.02 0.00 0.00 54.13 56.31 3ip4 s LEU 15 Cb -0.17 -3.59 0.15 0.00 0.02 0.00 0.00 46.19 42.60 3ip4 s LEU 15 CO 0.13 0.00 2.39 2.29 0.02 0.00 0.00 176.35 181.18 3ip4 n LYS 16 N 2.40 4.01 -1.89 1.70 2.85 0.03 -4.68 118.16 122.57 3ip4 n LYS 16 Ca 0.01 -3.34 -0.29 0.00 -1.05 0.00 0.00 58.31 53.64 3ip4 n LYS 16 Cb 0.49 -2.45 0.10 0.00 -0.65 0.00 0.00 35.03 32.52 3ip4 n LYS 16 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3ip4 s THR 17 N -2.19 2.00 0.05 0.58 -4.23 -1.26 -5.00 115.64 105.59 3ip4 s THR 17 Ca 0.53 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 3ip4 s THR 17 Cb 0.26 -2.99 -0.25 0.00 1.34 0.00 0.00 72.50 70.85 3ip4 s THR 17 CO -0.16 0.00 1.13 0.44 -0.54 0.00 0.00 174.62 175.49 3ip4 h ASP 18 N -1.15 0.80 -1.67 3.99 3.32 -1.97 -3.41 116.42 116.32 3ip4 h ASP 18 Ca -0.46 -0.78 -0.59 0.00 0.02 0.00 0.00 57.03 55.22 3ip4 h ASP 18 Cb 1.32 -0.25 -0.10 0.00 0.22 0.00 0.00 39.33 40.52 3ip4 h ASP 18 CO 0.62 1.48 -0.55 -0.94 -1.72 0.00 0.00 179.24 178.13 3ip4 s SER 19 N -7.19 4.22 1.16 6.45 1.04 -1.26 -0.66 113.70 117.47 3ip4 s SER 19 Ca -0.11 -1.15 -0.16 0.00 0.48 0.00 0.00 55.95 55.01 3ip4 s SER 19 Cb 0.05 -0.47 0.27 0.00 0.10 0.00 0.00 66.02 65.98 3ip4 s SER 19 CO 0.90 -0.46 1.06 -0.54 0.98 0.00 0.00 173.24 175.18 3ip4 s LYS 20 N -3.81 -0.91 0.02 4.02 1.02 0.27 -4.43 119.74 115.91 3ip4 s LYS 20 Ca 0.38 0.29 -0.24 0.00 0.02 0.00 0.00 55.97 56.42 3ip4 s LYS 20 Cb 0.05 -1.60 -0.17 0.00 -0.52 0.00 0.00 37.83 35.59 3ip4 s LYS 20 CO 0.21 -3.58 1.39 1.98 -0.92 0.00 0.00 175.35 174.43 3ip4 h MET 21 N -2.50 0.09 0.00 1.68 1.85 -1.40 -3.36 114.93 111.30 3ip4 h MET 21 Ca -0.51 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.54 3ip4 h MET 21 Cb 1.32 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.35 3ip4 h MET 21 CO 0.44 0.44 -0.02 1.19 -0.40 0.00 0.00 176.91 178.56 3ip4 n PHE 22 N -4.84 0.00 -3.99 1.39 3.72 -1.26 -0.20 117.46 112.28 3ip4 n PHE 22 Ca -0.07 -0.59 -0.10 0.00 -0.05 0.00 0.00 57.45 56.64 3ip4 n PHE 22 Cb 0.22 -0.07 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 3ip4 n PHE 22 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ip4 s SER 23 N -1.46 0.32 0.00 4.37 0.15 -1.25 -1.31 113.70 114.51 3ip4 s SER 23 Ca 0.09 -0.48 0.31 0.00 0.70 0.00 0.00 55.95 56.57 3ip4 s SER 23 Cb 0.08 0.09 1.69 0.00 -1.71 0.00 0.00 66.02 66.16 3ip4 s SER 23 CO 0.01 -0.27 2.12 -0.81 1.20 0.00 0.00 173.24 175.48 3ip4 n PRO 24 N 1.66 0.87 -1.16 5.44 -0.04 -1.26 -2.66 135.00 137.85 3ip4 n PRO 24 Ca -0.23 -0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 62.83 3ip4 n PRO 24 Cb 0.55 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.62 3ip4 n PRO 24 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ip4 s SER 25 N -2.19 4.13 0.45 3.54 1.04 -1.26 -4.65 113.70 114.75 3ip4 s SER 25 Ca 0.40 1.95 -0.25 0.00 0.48 0.00 0.00 55.95 58.53 3ip4 s SER 25 Cb 0.21 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.71 3ip4 s SER 25 CO 0.40 -2.29 1.43 -2.84 0.98 0.00 0.00 173.24 170.92 3ip4 s PRO 26 N -4.74 3.69 0.35 4.02 0.02 -1.26 -0.57 135.00 136.51 3ip4 s PRO 26 Ca 0.64 2.43 0.20 0.00 0.02 0.00 0.00 61.00 64.29 3ip4 s PRO 26 Cb -0.19 -2.67 0.19 0.00 0.02 0.00 0.00 34.50 31.86 3ip4 s PRO 26 CO 0.55 -0.82 1.46 0.00 -0.33 0.00 0.00 177.00 177.86 3ip4 h ALA 27 N 2.34 0.83 -3.30 -1.55 0.00 -1.10 -3.41 119.26 113.07 3ip4 h ALA 27 Ca -0.51 -0.18 -0.65 0.00 0.00 0.00 0.00 54.91 53.58 3ip4 h ALA 27 Cb 1.27 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 3ip4 h ALA 27 CO 0.61 0.23 -0.62 -1.58 0.00 0.00 0.00 179.25 177.89 3ip4 s HIS 28 N -3.14 3.14 0.31 0.00 5.65 -1.26 -4.97 115.29 115.02 3ip4 s HIS 28 Ca 0.05 -0.01 0.04 0.00 0.25 0.00 0.00 55.06 55.39 3ip4 s HIS 28 Cb 0.06 -1.93 -0.06 0.00 -1.18 0.00 0.00 32.58 29.48 3ip4 s HIS 28 CO 0.71 0.21 0.04 -0.59 -0.65 0.00 0.00 174.74 174.46 3ip4 s PHE 29 N -0.11 1.94 0.00 3.88 -0.71 -1.26 -5.08 117.98 116.63 3ip4 s PHE 29 Ca 0.04 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 55.01 3ip4 s PHE 29 Cb -0.13 -1.24 0.00 0.00 -1.21 0.00 0.00 43.02 40.45 3ip4 s PHE 29 CO 0.02 0.04 0.00 0.41 -1.34 0.00 0.00 175.22 174.35 3ip4 n GLY 30 N -0.65 1.49 0.10 1.99 0.00 -1.26 -5.04 105.19 101.81 3ip4 n GLY 30 Ca -0.03 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.15 3ip4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip4 h ALA 31 N -1.25 0.64 -2.18 4.61 0.00 -2.03 -3.46 119.26 115.59 3ip4 h ALA 31 Ca 0.00 -0.71 -0.56 0.00 0.00 0.00 0.00 54.91 53.65 3ip4 h ALA 31 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ip4 h ALA 31 CO 0.00 0.78 1.05 -2.00 0.00 0.00 0.00 179.25 179.08 3ip4 s GLU 32 N -2.98 4.10 0.37 0.00 2.12 -1.26 -4.96 118.70 116.09 3ip4 s GLU 32 Ca -0.02 1.94 -0.27 0.00 0.36 0.00 0.00 54.97 56.98 3ip4 s GLU 32 Cb 0.09 -3.95 -0.11 0.00 0.26 0.00 0.00 34.13 30.42 3ip4 s GLU 32 CO 0.80 -0.92 1.33 -2.30 -0.54 0.00 0.00 175.26 173.63 3ip4 n PRO 33 N 7.13 2.20 -4.07 4.30 -0.02 -1.26 -2.88 135.00 140.41 3ip4 n PRO 33 Ca 0.17 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 62.09 3ip4 n PRO 33 Cb 0.44 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3ip4 n PRO 33 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ip4 n ASN 34 N 0.55 -3.78 -0.15 2.55 3.02 -1.26 -4.83 115.26 111.37 3ip4 n ASN 34 Ca 0.04 -0.91 0.06 0.00 -0.03 0.00 0.00 54.58 53.74 3ip4 n ASN 34 Cb 0.38 -3.28 -0.03 0.00 -0.61 0.00 0.00 39.78 36.24 3ip4 n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ip4 n SER 35 N -2.75 0.97 -2.60 6.41 3.41 -1.14 -4.58 113.62 113.34 3ip4 n SER 35 Ca 0.04 -0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 57.37 3ip4 n SER 35 Cb 0.52 0.72 0.01 0.00 -0.26 0.00 0.00 64.21 65.19 3ip4 n SER 35 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ip4 n ASN 36 N -0.70 5.22 -4.23 4.04 5.15 -1.26 -5.03 115.26 118.44 3ip4 n ASN 36 Ca 0.04 -3.74 -0.13 0.00 -0.60 0.00 0.00 54.58 50.15 3ip4 n ASN 36 Cb 0.22 -0.58 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 3ip4 n ASN 36 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3ip4 s THR 37 N -5.39 0.49 0.32 -0.44 -4.23 -1.26 -4.60 115.64 100.54 3ip4 s THR 37 Ca 0.49 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3ip4 s THR 37 Cb 0.40 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 3ip4 s THR 37 CO -0.23 -0.35 0.33 0.54 -0.54 0.00 0.00 174.62 174.37 3ip4 s ASN 38 N -3.17 1.28 0.55 3.99 2.20 -1.26 -5.02 114.94 113.50 3ip4 s ASN 38 Ca 0.28 -1.63 0.24 0.00 -0.94 0.00 0.00 52.86 50.81 3ip4 s ASN 38 Cb 0.07 0.57 1.46 0.00 -2.00 0.00 0.00 41.25 41.35 3ip4 s ASN 38 CO 0.06 -1.12 2.07 -0.37 -2.94 0.00 0.00 177.10 174.80 3ip4 h VAL 39 N 2.18 0.71 0.20 3.54 -1.51 -2.00 -1.43 116.25 117.93 3ip4 h VAL 39 Ca -0.27 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 3ip4 h VAL 39 Cb 1.24 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3ip4 h VAL 39 CO 0.39 0.00 -0.10 0.40 -1.23 0.00 0.00 177.57 177.03 3ip4 h ILE 40 N 0.00 0.88 -0.37 7.19 2.04 -1.93 -1.00 117.51 124.32 3ip4 h ILE 40 Ca 0.13 -0.81 0.04 0.00 1.00 0.00 0.00 64.86 65.22 3ip4 h ILE 40 Cb 0.59 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3ip4 h ILE 40 CO -0.00 0.17 0.25 0.44 0.00 0.00 0.00 178.15 179.01 3ip4 h ASP 41 N -0.70 0.30 -0.00 1.72 3.32 -1.79 0.64 116.42 119.92 3ip4 h ASP 41 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ip4 h ASP 41 Cb 0.49 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3ip4 h ASP 41 CO 0.05 0.21 0.00 0.18 -1.72 0.00 0.00 179.24 177.95 3ip4 n LEU 42 N -4.48 0.10 -3.81 1.55 4.77 -0.59 -4.83 117.00 109.70 3ip4 n LEU 42 Ca 0.04 -0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 3ip4 n LEU 42 Cb 0.19 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3ip4 n LEU 42 CO 0.35 0.02 0.03 0.00 -1.33 0.00 0.00 177.39 176.45 3ip4 n ALA 43 N -0.89 -1.63 -1.47 -1.18 0.00 0.22 -4.92 120.51 110.63 3ip4 n ALA 43 Ca 0.22 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.36 3ip4 n ALA 43 Cb 0.12 -3.31 0.06 0.00 0.00 0.00 0.00 19.45 16.31 3ip4 n ALA 43 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ip4 s TYR 44 N -3.48 2.46 0.30 0.00 1.51 -0.41 -4.88 117.35 112.84 3ip4 s TYR 44 Ca 0.35 1.57 -0.30 0.00 -1.01 0.00 0.00 57.07 57.68 3ip4 s TYR 44 Cb -0.18 -3.26 -0.12 0.00 -0.11 0.00 0.00 41.96 38.30 3ip4 s TYR 44 CO 0.82 -1.94 1.59 -2.30 -1.11 0.00 0.00 175.55 172.60 3ip4 n PRO 45 N -2.46 2.69 -0.27 -1.71 -0.02 -1.26 -2.70 135.00 129.27 3ip4 n PRO 45 Ca 0.11 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3ip4 n PRO 45 Cb 0.51 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3ip4 n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ip4 n GLY 46 N 2.06 1.66 3.85 -1.23 0.00 -1.26 -5.05 105.19 105.21 3ip4 n GLY 46 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3ip4 n GLY 46 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ip4 s VAL 47 N -2.99 4.20 0.09 1.61 -7.23 -1.10 -5.09 120.40 109.90 3ip4 s VAL 47 Ca 0.00 0.71 0.03 0.00 -1.81 0.00 0.00 61.98 60.92 3ip4 s VAL 47 Cb 0.00 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 3ip4 s VAL 47 CO 0.00 -0.93 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.00 3ip4 s LEU 48 N -5.38 2.41 0.05 1.32 1.02 -1.26 -5.02 118.68 111.82 3ip4 s LEU 48 Ca 0.57 -0.83 -0.21 0.00 0.02 0.00 0.00 54.13 53.68 3ip4 s LEU 48 Cb -0.12 -0.25 -0.06 0.00 0.02 0.00 0.00 46.19 45.77 3ip4 s LEU 48 CO 0.54 -0.30 0.61 -2.16 0.02 0.00 0.00 176.35 175.06 3ip4 s PRO 49 N -2.90 4.29 -0.29 1.29 0.04 -1.26 -4.96 135.00 131.22 3ip4 s PRO 49 Ca 0.06 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3ip4 s PRO 49 Cb -0.02 -3.28 0.09 0.00 0.04 0.00 0.00 34.50 31.33 3ip4 s PRO 49 CO -0.01 0.52 0.06 0.14 0.04 0.00 0.00 177.00 177.75 3ip4 s VAL 50 N -0.74 1.18 0.26 -0.36 -7.23 -0.43 -4.78 120.40 108.30 3ip4 s VAL 50 Ca 0.31 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.75 3ip4 s VAL 50 Cb -0.19 -1.78 -0.11 0.00 0.56 0.00 0.00 36.38 34.86 3ip4 s VAL 50 CO 0.19 -0.51 1.51 0.54 -0.31 0.00 0.00 175.10 176.53 3ip4 s VAL 51 N 1.49 2.41 -0.21 1.32 0.11 -1.26 -3.89 120.40 120.37 3ip4 s VAL 51 Ca 0.06 0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 3ip4 s VAL 51 Cb -0.18 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 3ip4 s VAL 51 CO -0.17 0.05 1.46 0.21 -3.33 0.00 0.00 175.10 173.32 3ip4 s ASN 52 N 0.46 6.62 0.16 3.54 3.84 0.72 -4.95 114.94 125.32 3ip4 s ASN 52 Ca 0.62 1.61 -0.15 0.00 0.21 0.00 0.00 52.86 55.14 3ip4 s ASN 52 Cb -0.44 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 37.76 3ip4 s ASN 52 CO 0.44 -1.06 1.82 0.50 -2.79 0.00 0.00 177.10 176.02 3ip4 h LYS 53 N 9.64 0.59 -0.41 0.43 3.64 -1.93 -2.59 116.57 125.94 3ip4 h LYS 53 Ca -0.31 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 3ip4 h LYS 53 Cb 1.13 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3ip4 h LYS 53 CO 1.00 0.39 0.04 -0.09 -2.27 0.00 0.00 179.45 178.52 3ip4 h ARG 54 N 0.61 0.63 -0.58 1.90 2.43 -1.99 -2.12 114.38 115.26 3ip4 h ARG 54 Ca 0.17 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3ip4 h ARG 54 Cb -0.06 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3ip4 h ARG 54 CO -0.04 0.62 0.35 0.00 -1.51 0.00 0.00 179.97 179.38 3ip4 h ALA 55 N 1.45 0.74 -0.28 2.80 0.00 -1.88 0.12 119.26 122.21 3ip4 h ALA 55 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ip4 h ALA 55 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ip4 h ALA 55 CO 0.01 0.07 0.07 0.28 0.00 0.00 0.00 179.25 179.67 3ip4 h VAL 56 N 0.68 1.21 -0.61 0.00 2.07 -1.19 0.39 116.25 118.81 3ip4 h VAL 56 Ca 0.23 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3ip4 h VAL 56 Cb 0.04 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3ip4 h VAL 56 CO -0.11 0.23 0.38 0.44 0.02 0.00 0.00 177.57 178.54 3ip4 h ASP 57 N 0.28 0.62 -0.11 0.57 3.32 -0.99 -0.69 116.42 119.43 3ip4 h ASP 57 Ca 0.09 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3ip4 h ASP 57 Cb 0.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3ip4 h ASP 57 CO 0.00 0.44 -0.28 -0.50 -1.72 0.00 0.00 179.24 177.18 3ip4 h TRP 58 N 0.75 0.65 -0.60 4.55 4.06 -0.60 -0.41 115.95 124.35 3ip4 h TRP 58 Ca 0.24 -0.15 -0.08 0.00 2.06 0.00 0.00 58.89 60.96 3ip4 h TRP 58 Cb 0.01 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 3ip4 h TRP 58 CO -0.05 0.79 0.05 0.00 -3.56 0.00 0.00 178.44 175.67 3ip4 h ALA 59 N 1.21 0.80 -0.57 1.49 0.00 -0.47 -1.04 119.26 120.68 3ip4 h ALA 59 Ca 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3ip4 h ALA 59 Cb 0.73 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ip4 h ALA 59 CO 0.06 0.60 0.23 0.52 0.00 0.00 0.00 179.25 180.65 3ip4 h MET 60 N 0.92 0.85 -0.36 0.00 2.86 -0.77 -1.21 114.93 117.23 3ip4 h MET 60 Ca 0.18 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3ip4 h MET 60 Cb 0.49 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3ip4 h MET 60 CO 0.02 0.74 0.17 -0.09 1.06 0.00 0.00 176.91 178.81 3ip4 h ARG 61 N 0.79 0.51 -0.48 1.72 2.43 -0.77 -0.52 114.38 118.06 3ip4 h ARG 61 Ca 0.19 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3ip4 h ARG 61 Cb 0.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3ip4 h ARG 61 CO -0.02 0.46 0.26 0.00 -1.51 0.00 0.00 179.97 179.16 3ip4 h ALA 62 N 1.02 0.62 -0.48 2.80 0.00 -1.04 -0.52 119.26 121.67 3ip4 h ALA 62 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ip4 h ALA 62 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ip4 h ALA 62 CO -0.02 0.16 0.29 0.00 0.00 0.00 0.00 179.25 179.68 3ip4 h ALA 63 N 1.10 0.61 -0.70 0.00 0.00 -0.97 -1.81 119.26 117.48 3ip4 h ALA 63 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ip4 h ALA 63 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ip4 h ALA 63 CO -0.03 0.09 0.36 0.52 0.00 0.00 0.00 179.25 180.19 3ip4 h MET 64 N 0.64 0.99 0.00 0.00 2.07 -0.85 -1.11 114.93 116.67 3ip4 h MET 64 Ca 0.17 -0.13 -0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3ip4 h MET 64 Cb -0.02 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.53 3ip4 h MET 64 CO -0.03 0.77 -0.01 0.00 1.07 0.00 0.00 176.91 178.70 3ip4 h ALA 65 N 1.17 1.33 -0.51 6.32 0.00 -0.57 0.15 119.26 127.16 3ip4 h ALA 65 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ip4 h ALA 65 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ip4 h ALA 65 CO -0.03 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3ip4 n LEU 66 N -3.59 4.41 -3.01 0.00 4.77 -0.50 -4.93 117.00 114.15 3ip4 n LEU 66 Ca -0.03 -2.23 -0.22 0.00 -0.03 0.00 0.00 56.01 53.50 3ip4 n LEU 66 Cb 0.10 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.64 3ip4 n LEU 66 CO 0.26 0.63 -0.03 0.59 -1.33 0.00 0.00 177.39 177.51 3ip4 n ASN 67 N 0.72 -5.85 -4.93 -1.43 3.02 0.54 -1.34 115.26 106.00 3ip4 n ASN 67 Ca 0.22 -0.27 -0.25 0.00 -0.03 0.00 0.00 54.58 54.24 3ip4 n ASN 67 Cb 0.88 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 3ip4 n ASN 67 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ip4 s MET 68 N -5.69 3.35 -0.06 3.52 -1.94 -0.72 -4.27 119.30 113.49 3ip4 s MET 68 Ca 0.29 -0.11 -0.26 0.00 -1.71 0.00 0.00 55.69 53.89 3ip4 s MET 68 Cb -0.13 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 3ip4 s MET 68 CO 0.36 -0.18 0.83 -1.21 -0.01 0.00 0.00 175.02 174.81 3ip4 s GLU 69 N -4.62 4.46 -0.15 2.03 2.02 0.75 -4.69 118.70 118.50 3ip4 s GLU 69 Ca 0.46 1.11 -0.16 0.00 0.02 0.00 0.00 54.97 56.41 3ip4 s GLU 69 Cb -0.10 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 3ip4 s GLU 69 CO 0.41 -0.05 0.38 0.42 0.02 0.00 0.00 175.26 176.44 3ip4 s ILE 70 N 1.13 5.25 0.65 -1.63 -1.09 -1.26 -1.55 121.20 122.69 3ip4 s ILE 70 Ca 0.43 0.73 -0.18 0.00 -2.23 0.00 0.00 60.65 59.40 3ip4 s ILE 70 Cb -0.19 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3ip4 s ILE 70 CO 0.21 0.34 1.18 0.00 -1.23 0.00 0.00 174.94 175.44 3ip4 n ALA 71 N 3.76 0.74 -0.13 9.38 0.00 -0.30 -4.94 120.51 129.02 3ip4 n ALA 71 Ca -0.09 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 3ip4 n ALA 71 Cb 0.52 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 3ip4 n ALA 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ip4 n THR 72 N -1.98 1.49 -4.05 0.00 -1.04 -1.26 -4.57 114.28 102.87 3ip4 n THR 72 Ca 0.15 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.05 61.34 3ip4 n THR 72 Cb 0.48 -1.64 -0.12 0.00 -1.82 0.00 0.00 70.33 67.23 3ip4 n THR 72 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ip4 s GLU 73 N -2.51 3.63 0.02 -2.82 2.02 -1.26 0.48 118.70 118.26 3ip4 s GLU 73 Ca -0.36 -0.51 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 3ip4 s GLU 73 Cb 0.12 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 31.24 3ip4 s GLU 73 CO 0.54 0.01 0.12 0.45 0.02 0.00 0.00 175.26 176.40 3ip4 s SER 74 N 1.02 0.09 0.29 -0.19 0.15 -0.48 -4.92 113.70 109.65 3ip4 s SER 74 Ca 0.02 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.21 3ip4 s SER 74 Cb -0.14 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3ip4 s SER 74 CO 0.02 -0.44 0.52 -1.59 1.20 0.00 0.00 173.24 172.94 3ip4 s LYS 75 N -1.96 1.72 0.21 5.44 -2.85 -1.25 0.14 119.74 121.19 3ip4 s LYS 75 Ca -0.10 -1.40 0.07 0.00 -1.00 0.00 0.00 55.97 53.54 3ip4 s LYS 75 Cb -0.05 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 3ip4 s LYS 75 CO -0.01 -0.73 0.12 -0.06 0.10 0.00 0.00 175.35 174.77 3ip4 s PHE 76 N -3.58 3.03 0.07 1.78 0.40 -1.26 -4.70 117.98 113.72 3ip4 s PHE 76 Ca 0.24 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 3ip4 s PHE 76 Cb -0.01 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 3ip4 s PHE 76 CO 0.12 0.53 -0.07 -0.51 0.70 0.00 0.00 175.22 175.99 3ip4 s ASP 77 N -3.45 1.01 -0.16 1.36 1.11 0.51 -0.57 116.67 116.47 3ip4 s ASP 77 Ca 0.31 -0.78 -0.15 0.00 0.18 0.00 0.00 52.55 52.11 3ip4 s ASP 77 Cb -0.09 0.07 -0.04 0.00 1.07 0.00 0.00 42.92 43.93 3ip4 s ASP 77 CO 0.23 -0.34 0.36 -0.13 1.18 0.00 0.00 175.17 176.47 3ip4 s ARG 78 N -2.73 4.25 -0.51 8.23 0.52 -0.18 -0.30 118.95 128.23 3ip4 s ARG 78 Ca 0.01 0.19 -0.12 0.00 -0.52 0.00 0.00 55.73 55.30 3ip4 s ARG 78 Cb -0.02 -3.46 0.13 0.00 0.52 0.00 0.00 34.95 32.11 3ip4 s ARG 78 CO -0.02 0.14 0.42 0.21 0.02 0.00 0.00 175.30 176.07 3ip4 s LYS 79 N 0.74 2.70 -0.18 3.54 2.20 -0.20 -3.27 119.74 125.28 3ip4 s LYS 79 Ca 0.19 -1.76 -0.29 0.00 -0.36 0.00 0.00 55.97 53.75 3ip4 s LYS 79 Cb -0.14 -4.08 -0.00 0.00 -1.51 0.00 0.00 37.83 32.10 3ip4 s LYS 79 CO 0.06 -1.25 1.01 -0.80 -0.36 0.00 0.00 175.35 174.01 3ip4 s ASN 80 N 3.02 7.14 -0.25 1.43 0.01 -0.06 -0.89 114.94 125.34 3ip4 s ASN 80 Ca 0.05 1.42 -0.26 0.00 -0.71 0.00 0.00 52.86 53.36 3ip4 s ASN 80 Cb -0.27 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 38.97 3ip4 s ASN 80 CO 0.01 -0.56 1.02 -0.72 -1.51 0.00 0.00 177.10 175.33 3ip4 s TYR 81 N 2.66 -0.46 -0.16 2.20 1.13 -0.37 -4.42 117.35 117.94 3ip4 s TYR 81 Ca 0.45 1.06 -0.19 0.00 -1.41 0.00 0.00 57.07 56.98 3ip4 s TYR 81 Cb -0.16 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.04 3ip4 s TYR 81 CO 0.11 -0.26 0.53 -0.06 -2.51 0.00 0.00 175.55 173.36 3ip4 s PHE 82 N -0.06 3.44 -0.28 -3.49 0.40 -1.26 -3.88 117.98 112.84 3ip4 s PHE 82 Ca 0.02 0.87 -0.24 0.00 -0.60 0.00 0.00 56.93 56.98 3ip4 s PHE 82 Cb -0.04 -2.65 0.12 0.00 0.51 0.00 0.00 43.02 40.96 3ip4 s PHE 82 CO -0.04 0.00 1.00 -0.47 0.70 0.00 0.00 175.22 176.41 3ip4 s TYR 83 N 1.24 -0.51 0.47 0.36 5.04 -1.26 -5.05 117.35 117.63 3ip4 s TYR 83 Ca 0.26 1.21 0.26 0.00 -2.44 0.00 0.00 57.07 56.37 3ip4 s TYR 83 Cb -0.16 0.36 1.31 0.00 0.35 0.00 0.00 41.96 43.83 3ip4 s TYR 83 CO 0.11 -0.25 1.80 -1.35 -1.34 0.00 0.00 175.55 174.52 3ip4 h PRO 84 N 4.47 0.20 -0.20 4.97 0.11 -1.99 0.16 132.00 139.72 3ip4 h PRO 84 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ip4 h PRO 84 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ip4 h PRO 84 CO 0.11 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.63 3ip4 n ASP 85 N -4.42 1.78 -3.34 -2.05 5.68 -1.26 -4.22 116.55 108.71 3ip4 n ASP 85 Ca 0.24 -1.76 -0.26 0.00 -0.50 0.00 0.00 54.79 52.52 3ip4 n ASP 85 Cb 1.01 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.78 3ip4 n ASP 85 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3ip4 n ASN 86 N 0.40 2.37 -0.33 -1.12 5.15 0.54 -0.24 115.26 122.03 3ip4 n ASN 86 Ca 0.16 -3.15 0.22 0.00 -0.60 0.00 0.00 54.58 51.21 3ip4 n ASN 86 Cb 0.34 -0.66 0.45 0.00 -0.53 0.00 0.00 39.78 39.37 3ip4 n ASN 86 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3ip4 h PRO 87 N 4.15 0.34 0.00 1.20 0.13 -1.73 -0.62 132.00 135.46 3ip4 h PRO 87 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3ip4 h PRO 87 Cb 0.75 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3ip4 h PRO 87 CO 0.69 0.22 0.00 1.63 -0.23 0.00 0.00 178.00 180.31 3ip4 n LYS 88 N -5.05 0.19 -1.11 0.86 5.02 -1.26 -4.86 118.16 111.95 3ip4 n LYS 88 Ca 0.30 0.30 -0.04 0.00 -2.02 0.00 0.00 58.31 56.85 3ip4 n LYS 88 Cb 0.92 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 3ip4 n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ip4 n ALA 89 N -1.73 -0.06 -3.63 7.82 0.00 -0.24 -4.98 120.51 117.68 3ip4 n ALA 89 Ca 0.04 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 3ip4 n ALA 89 Cb 0.30 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 3ip4 n ALA 89 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3ip4 s TYR 90 N -2.08 -0.74 -0.20 0.00 -0.85 -1.25 -1.23 117.35 110.99 3ip4 s TYR 90 Ca 0.00 1.76 -0.10 0.00 -0.52 0.00 0.00 57.07 58.21 3ip4 s TYR 90 Cb 0.00 0.33 -0.05 0.00 0.38 0.00 0.00 41.96 42.62 3ip4 s TYR 90 CO 0.00 -0.36 0.12 -1.14 -1.52 0.00 0.00 175.55 172.65 3ip4 s GLN 91 N 0.50 4.13 -0.15 -3.49 0.74 -0.06 -4.88 119.66 116.45 3ip4 s GLN 91 Ca -0.01 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 54.86 3ip4 s GLN 91 Cb -0.05 -3.40 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 3ip4 s GLN 91 CO -0.03 0.26 1.07 0.42 -0.55 0.00 0.00 175.29 176.46 3ip4 s ILE 92 N 0.47 4.63 0.00 -2.34 1.01 -1.26 -1.03 121.20 122.68 3ip4 s ILE 92 Ca 0.07 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.65 3ip4 s ILE 92 Cb -0.12 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3ip4 s ILE 92 CO -0.01 -0.08 0.00 -0.24 0.00 0.00 0.00 174.94 174.62 3ip4 n SER 93 N 5.66 0.00 -3.80 3.58 2.88 0.59 -2.62 113.62 119.90 3ip4 n SER 93 Ca 0.11 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.51 3ip4 n SER 93 Cb 0.47 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.78 3ip4 n SER 93 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3ip4 s GLN 94 N 1.78 -0.02 0.00 -1.46 -0.21 -1.22 -0.37 119.66 118.16 3ip4 s GLN 94 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.51 3ip4 s GLN 94 Cb 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 33.01 33.83 3ip4 s GLN 94 CO 0.00 -0.12 0.00 0.34 -2.12 0.00 0.00 175.29 173.39 3ip4 n PHE 95 N 3.84 0.00 1.12 0.91 7.35 -1.26 -4.86 117.46 124.56 3ip4 n PHE 95 Ca -0.23 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.59 3ip4 n PHE 95 Cb 0.53 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.74 3ip4 n PHE 95 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 3ip4 n ASP 96 N -0.83 0.56 -3.18 -2.13 5.75 -1.26 -4.40 116.55 111.06 3ip4 n ASP 96 Ca 0.00 -0.36 -0.24 0.00 -0.01 0.00 0.00 54.79 54.18 3ip4 n ASP 96 Cb 0.00 0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 3ip4 n ASP 96 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ip4 n GLN 97 N -1.22 1.99 -1.46 0.11 6.02 -1.26 -5.10 117.38 116.46 3ip4 n GLN 97 Ca 0.09 -4.12 -0.34 0.00 -0.01 0.00 0.00 57.00 52.62 3ip4 n GLN 97 Cb 0.33 -1.90 0.09 0.00 1.02 0.00 0.00 30.24 29.77 3ip4 n GLN 97 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ip4 s PRO 98 N -2.49 2.23 0.24 -1.09 0.04 -1.26 -3.95 135.00 128.72 3ip4 s PRO 98 Ca 0.42 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 3ip4 s PRO 98 Cb 0.24 -1.86 0.40 0.00 0.04 0.00 0.00 34.50 33.33 3ip4 s PRO 98 CO -0.09 -1.73 1.79 0.82 0.04 0.00 0.00 177.00 177.83 3ip4 h ILE 99 N -0.35 0.86 -3.91 0.56 1.08 -1.91 -3.40 117.51 110.43 3ip4 h ILE 99 Ca -0.47 -0.24 -0.43 0.00 -0.39 0.00 0.00 64.86 63.33 3ip4 h ILE 99 Cb 1.28 0.09 -0.21 0.00 -3.07 0.00 0.00 36.82 34.91 3ip4 h ILE 99 CO 0.50 0.13 -0.78 -0.83 -0.69 0.00 0.00 178.15 176.48 3ip4 s GLY 100 N -3.29 0.92 0.04 5.37 0.00 -0.81 -1.15 107.32 108.39 3ip4 s GLY 100 Ca -0.12 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 43.45 3ip4 s GLY 100 CO 0.78 -1.08 0.19 -0.54 0.00 0.00 0.00 173.10 172.45 3ip4 s GLU 101 N -1.85 0.68 -0.99 2.90 2.02 -0.60 -1.84 118.70 119.03 3ip4 s GLU 101 Ca -0.00 -0.62 -0.14 0.00 0.02 0.00 0.00 54.97 54.23 3ip4 s GLU 101 Cb -0.09 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.42 3ip4 s GLU 101 CO 0.02 -0.20 0.71 0.09 0.02 0.00 0.00 175.26 175.91 3ip4 n ASN 102 N 0.72 -5.47 0.00 -0.19 3.02 -0.60 -0.18 115.26 112.56 3ip4 n ASN 102 Ca -0.19 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 3ip4 n ASN 102 Cb 0.59 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 3ip4 n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ip4 n GLY 103 N -1.74 3.82 0.00 7.41 0.00 0.16 -4.25 105.19 110.59 3ip4 n GLY 103 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3ip4 n GLY 103 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ip4 n TYR 104 N 0.00 0.00 -3.88 1.61 0.18 -0.45 -1.37 117.16 113.25 3ip4 n TYR 104 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 3ip4 n TYR 104 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 3ip4 n TYR 104 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 3ip4 s ILE 105 N -2.00 0.07 -0.10 -3.48 -4.36 -0.73 -4.51 121.20 106.10 3ip4 s ILE 105 Ca 0.00 -0.61 -0.10 0.00 -0.26 0.00 0.00 60.65 59.68 3ip4 s ILE 105 Cb 0.00 -0.36 -0.05 0.00 1.25 0.00 0.00 42.46 43.31 3ip4 s ILE 105 CO 0.00 -0.34 0.23 -1.81 0.24 0.00 0.00 174.94 173.26 3ip4 s ASP 106 N -1.15 6.50 0.27 4.36 1.01 -1.26 -1.09 116.67 125.32 3ip4 s ASP 106 Ca -0.12 0.59 0.07 0.00 0.71 0.00 0.00 52.55 53.80 3ip4 s ASP 106 Cb -0.07 -2.13 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 3ip4 s ASP 106 CO 0.01 0.34 -0.08 0.27 0.21 0.00 0.00 175.17 175.92 3ip4 s ILE 107 N -0.80 1.74 -0.14 0.77 -4.36 -0.27 -4.95 121.20 113.18 3ip4 s ILE 107 Ca 0.17 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 3ip4 s ILE 107 Cb -0.13 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.19 3ip4 s ILE 107 CO 0.06 -0.34 -0.15 -1.61 0.24 0.00 0.00 174.94 173.14 3ip4 s GLU 108 N -3.70 2.38 0.05 0.37 0.41 -1.26 -1.80 118.70 115.16 3ip4 s GLU 108 Ca 0.29 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 54.25 3ip4 s GLU 108 Cb 0.03 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.26 3ip4 s GLU 108 CO 0.12 -0.18 0.00 1.33 -0.49 0.00 0.00 175.26 176.03 3ip4 n VAL 109 N 4.60 0.38 -3.20 2.63 0.24 -1.26 -4.92 118.33 116.79 3ip4 n VAL 109 Ca -0.18 0.13 -0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3ip4 n VAL 109 Cb 0.50 -1.33 -0.02 0.00 -1.47 0.00 0.00 33.84 31.52 3ip4 n VAL 109 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3ip4 s ASP 110 N -5.31 -0.94 0.21 -1.34 1.01 -1.26 -5.08 116.67 103.97 3ip4 s ASP 110 Ca 0.00 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.45 3ip4 s ASP 110 Cb 0.00 1.76 0.00 0.00 1.01 0.00 0.00 42.92 45.69 3ip4 s ASP 110 CO 0.00 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 175.68 3ip4 n GLY 111 N 5.40 1.65 3.85 0.21 0.00 -1.26 -4.91 105.19 110.13 3ip4 n GLY 111 Ca 0.02 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3ip4 n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ip4 s GLU 112 N 0.00 3.94 0.40 1.61 2.56 -1.26 -5.05 118.70 120.90 3ip4 s GLU 112 Ca 0.00 0.68 -0.24 0.00 0.00 0.00 0.00 54.97 55.42 3ip4 s GLU 112 Cb 0.00 -2.35 -0.09 0.00 2.00 0.00 0.00 34.13 33.69 3ip4 s GLU 112 CO 0.00 0.00 1.04 0.95 -0.56 0.00 0.00 175.26 176.69 3ip4 s THR 113 N -2.24 3.79 -0.05 -1.70 -4.23 -1.26 -4.59 115.64 105.36 3ip4 s THR 113 Ca 0.55 1.34 0.06 0.00 -1.18 0.00 0.00 61.69 62.45 3ip4 s THR 113 Cb -0.10 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.06 3ip4 s THR 113 CO 0.24 -0.03 -0.25 -0.75 -0.54 0.00 0.00 174.62 173.30 3ip4 s LYS 114 N -2.58 2.41 -0.26 3.99 2.20 -0.74 -4.94 119.74 119.82 3ip4 s LYS 114 Ca 0.59 -0.89 -0.17 0.00 -0.36 0.00 0.00 55.97 55.14 3ip4 s LYS 114 Cb -0.21 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 3ip4 s LYS 114 CO 0.26 0.40 0.48 0.50 -0.36 0.00 0.00 175.35 176.63 3ip4 s ARG 115 N -0.23 4.07 -0.26 4.03 3.52 -1.26 -1.11 118.95 127.70 3ip4 s ARG 115 Ca -0.01 0.26 -0.08 0.00 -0.13 0.00 0.00 55.73 55.77 3ip4 s ARG 115 Cb -0.13 -3.64 -0.03 0.00 -1.56 0.00 0.00 34.95 29.59 3ip4 s ARG 115 CO 0.03 -0.31 0.10 0.42 -0.81 0.00 0.00 175.30 174.72 3ip4 s ILE 116 N 2.19 4.51 0.57 4.11 -1.09 -0.25 -4.96 121.20 126.29 3ip4 s ILE 116 Ca 0.20 -0.15 -0.18 0.00 -2.23 0.00 0.00 60.65 58.29 3ip4 s ILE 116 Cb -0.16 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 3ip4 s ILE 116 CO 0.09 0.29 1.10 -0.83 -1.23 0.00 0.00 174.94 174.35 3ip4 s GLY 117 N 1.64 2.40 -0.26 6.18 0.00 -1.26 -1.77 107.32 114.25 3ip4 s GLY 117 Ca 0.06 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.43 3ip4 s GLY 117 CO 0.05 0.98 -0.02 -0.42 0.00 0.00 0.00 173.10 173.69 3ip4 s ILE 118 N -2.07 1.55 0.18 0.90 1.01 -0.47 -0.67 121.20 121.62 3ip4 s ILE 118 Ca 0.69 -1.40 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3ip4 s ILE 118 Cb -0.20 -1.90 0.10 0.00 0.01 0.00 0.00 42.46 40.46 3ip4 s ILE 118 CO 0.31 -0.25 1.70 0.74 0.00 0.00 0.00 174.94 177.44 3ip4 h THR 119 N 6.64 0.68 -2.75 2.92 2.02 -1.36 0.51 112.91 121.57 3ip4 h THR 119 Ca -0.15 -0.05 0.08 0.00 0.77 0.00 0.00 66.41 67.06 3ip4 h THR 119 Cb 1.06 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.91 3ip4 h THR 119 CO 0.43 0.03 0.32 0.00 0.37 0.00 0.00 175.52 176.67 3ip4 s ARG 120 N -6.17 1.41 -0.05 6.66 1.70 -1.13 -1.55 118.95 119.82 3ip4 s ARG 120 Ca -0.13 -0.71 -0.02 0.00 -0.47 0.00 0.00 55.73 54.40 3ip4 s ARG 120 Cb 0.15 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 35.09 3ip4 s ARG 120 CO 0.72 -0.64 0.09 -1.17 -1.08 0.00 0.00 175.30 173.22 3ip4 s LEU 121 N -2.84 0.28 0.10 -1.89 0.20 -0.77 -1.80 118.68 111.98 3ip4 s LEU 121 Ca 0.08 0.16 0.01 0.00 0.69 0.00 0.00 54.13 55.08 3ip4 s LEU 121 Cb -0.03 0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.72 3ip4 s LEU 121 CO -0.01 -0.22 -0.05 -1.38 -0.29 0.00 0.00 176.35 174.40 3ip4 s HIS 122 N 1.94 0.90 0.04 5.38 -3.43 -0.43 -1.93 115.29 117.77 3ip4 s HIS 122 Ca 0.01 -0.95 -0.09 0.00 -0.80 0.00 0.00 55.06 53.22 3ip4 s HIS 122 Cb -0.12 -0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 30.45 3ip4 s HIS 122 CO -0.04 -0.19 0.35 -1.64 -2.00 0.00 0.00 174.74 171.22 3ip4 s MET 123 N -3.86 3.71 0.22 -0.38 1.00 -1.26 -0.39 119.30 118.34 3ip4 s MET 123 Ca 0.13 0.11 -0.22 0.00 0.00 0.00 0.00 55.69 55.71 3ip4 s MET 123 Cb 0.06 -3.05 0.06 0.00 0.00 0.00 0.00 34.83 31.90 3ip4 s MET 123 CO -0.04 0.61 0.92 -1.83 0.00 0.00 0.00 175.02 174.67 3ip4 s GLU 124 N -1.77 1.51 0.07 2.03 -1.05 -0.57 -3.38 118.70 115.55 3ip4 s GLU 124 Ca 0.30 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 54.24 3ip4 s GLU 124 Cb -0.14 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 33.98 3ip4 s GLU 124 CO 0.17 -0.70 0.06 -1.83 0.95 0.00 0.00 175.26 173.91 3ip4 s GLU 125 N -2.89 2.82 0.61 -4.83 -1.05 -1.08 -1.09 118.70 111.20 3ip4 s GLU 125 Ca 0.15 -0.71 -0.08 0.00 -0.15 0.00 0.00 54.97 54.18 3ip4 s GLU 125 Cb -0.03 -2.69 -0.01 0.00 -0.44 0.00 0.00 34.13 30.96 3ip4 s GLU 125 CO 0.06 0.57 0.96 0.34 0.95 0.00 0.00 175.26 178.13 3ip4 s ASP 126 N -2.31 5.78 0.64 0.83 2.15 0.01 -4.84 116.67 118.94 3ip4 s ASP 126 Ca 0.28 0.99 0.03 0.00 0.43 0.00 0.00 52.55 54.28 3ip4 s ASP 126 Cb -0.12 -2.00 0.10 0.00 -0.30 0.00 0.00 42.92 40.60 3ip4 s ASP 126 CO 0.20 -1.02 0.89 0.00 -0.17 0.00 0.00 175.17 175.07 3ip4 s ALA 127 N -3.08 4.04 0.93 3.66 0.00 -1.26 -0.65 121.76 125.39 3ip4 s ALA 127 Ca 0.54 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3ip4 s ALA 127 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3ip4 s ALA 127 CO 0.49 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3ip4 n GLY 128 N -2.56 -0.33 2.99 0.00 0.00 0.67 -3.31 105.19 102.65 3ip4 n GLY 128 Ca 0.14 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 3ip4 n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ip4 s LYS 129 N 0.21 0.92 -0.14 1.61 2.47 0.43 -4.82 119.74 120.42 3ip4 s LYS 129 Ca 0.00 -0.28 0.02 0.00 -1.56 0.00 0.00 55.97 54.15 3ip4 s LYS 129 Cb 0.00 -0.86 0.00 0.00 -1.46 0.00 0.00 37.83 35.51 3ip4 s LYS 129 CO 0.00 0.09 -0.19 -1.12 0.16 0.00 0.00 175.35 174.29 3ip4 s SER 130 N 0.25 3.38 -0.08 1.43 0.01 -1.26 -0.40 113.70 117.03 3ip4 s SER 130 Ca -0.04 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3ip4 s SER 130 Cb -0.09 -1.50 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 3ip4 s SER 130 CO 0.00 0.10 -0.12 -0.89 0.41 0.00 0.00 173.24 172.75 3ip4 s THR 131 N 0.70 3.27 0.73 1.44 2.01 0.13 -4.91 115.64 119.01 3ip4 s THR 131 Ca -0.09 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 3ip4 s THR 131 Cb -0.16 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3ip4 s THR 131 CO 0.01 0.57 1.08 -1.00 -0.69 0.00 0.00 174.62 174.59 3ip4 s HIS 132 N -0.40 3.09 -0.36 4.92 3.76 -1.26 0.60 115.29 125.64 3ip4 s HIS 132 Ca 0.05 1.22 -0.05 0.00 -0.15 0.00 0.00 55.06 56.13 3ip4 s HIS 132 Cb -0.12 -3.00 0.22 0.00 1.11 0.00 0.00 32.58 30.78 3ip4 s HIS 132 CO 0.02 -1.39 1.07 1.63 -0.85 0.00 0.00 174.74 175.22 3ip4 n LYS 133 N -3.19 0.16 0.00 1.40 4.01 -0.85 -4.79 118.16 114.89 3ip4 n LYS 133 Ca 0.07 -0.92 0.00 0.00 -0.51 0.00 0.00 58.31 56.95 3ip4 n LYS 133 Cb 0.55 -0.08 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 3ip4 n LYS 133 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ip4 n GLY 134 N 2.53 0.49 0.52 0.72 0.00 -1.26 -3.59 105.19 104.60 3ip4 n GLY 134 Ca 0.11 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.28 3ip4 n GLY 134 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ip4 n GLU 135 N 8.89 1.68 -4.42 1.61 -0.58 -1.26 -4.90 120.64 121.65 3ip4 n GLU 135 Ca 0.00 -1.02 -0.21 0.00 -0.42 0.00 0.00 57.16 55.51 3ip4 n GLU 135 Cb 0.00 -1.38 -0.10 0.00 -0.57 0.00 0.00 31.44 29.39 3ip4 n GLU 135 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3ip4 s TYR 136 N -1.79 1.81 0.08 -0.32 1.13 -1.24 -5.16 117.35 111.87 3ip4 s TYR 136 Ca 0.31 -1.09 0.07 0.00 -1.41 0.00 0.00 57.07 54.96 3ip4 s TYR 136 Cb 0.17 -1.15 -0.03 0.00 -1.10 0.00 0.00 41.96 39.84 3ip4 s TYR 136 CO 0.25 -0.15 -0.19 -1.12 -2.51 0.00 0.00 175.55 171.83 3ip4 s SER 137 N -3.46 2.28 -0.13 -0.18 0.01 -1.26 -2.01 113.70 108.94 3ip4 s SER 137 Ca 0.35 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 3ip4 s SER 137 Cb 0.07 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3ip4 s SER 137 CO 0.15 0.04 -0.09 -0.76 0.41 0.00 0.00 173.24 172.99 3ip4 s LEU 138 N -1.72 2.94 -0.18 2.44 1.43 0.20 -4.92 118.68 118.87 3ip4 s LEU 138 Ca 0.04 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3ip4 s LEU 138 Cb -0.10 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3ip4 s LEU 138 CO 0.03 0.18 0.03 -0.69 0.23 0.00 0.00 176.35 176.14 3ip4 s VAL 139 N 0.25 4.41 -0.20 -1.59 1.01 -1.26 -0.69 120.40 122.32 3ip4 s VAL 139 Ca -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3ip4 s VAL 139 Cb -0.15 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3ip4 s VAL 139 CO 0.04 0.45 -0.16 -0.62 0.00 0.00 0.00 175.10 174.82 3ip4 s ASP 140 N 0.54 3.56 -0.09 3.32 -1.08 0.46 -4.89 116.67 118.49 3ip4 s ASP 140 Ca 0.01 -0.80 0.17 0.00 -0.52 0.00 0.00 52.55 51.40 3ip4 s ASP 140 Cb -0.13 -1.53 0.64 0.00 -1.46 0.00 0.00 42.92 40.44 3ip4 s ASP 140 CO 0.02 -0.05 1.53 0.18 0.52 0.00 0.00 175.17 177.37 3ip4 n LEU 141 N 4.60 4.25 -0.27 -1.34 4.77 -1.26 -0.42 117.00 127.32 3ip4 n LEU 141 Ca -0.19 -2.14 0.05 0.00 -0.03 0.00 0.00 56.01 53.70 3ip4 n LEU 141 Cb 0.48 -0.54 0.19 0.00 -2.33 0.00 0.00 43.42 41.22 3ip4 n LEU 141 CO 0.25 0.74 1.06 0.78 -1.33 0.00 0.00 177.39 178.90 3ip4 h ASN 142 N 3.68 0.42 1.33 -1.43 2.35 -1.94 -1.73 115.58 118.25 3ip4 h ASN 142 Ca 0.00 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ip4 h ASN 142 Cb 1.29 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.69 3ip4 h ASN 142 CO 0.20 0.19 -0.21 -0.09 -1.65 0.00 0.00 177.43 175.86 3ip4 h ARG 143 N 0.55 0.00 -6.59 0.81 2.43 -1.84 -3.46 114.38 106.29 3ip4 h ARG 143 Ca 0.42 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 59.03 3ip4 h ARG 143 Cb 0.57 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.19 3ip4 h ARG 143 CO -0.35 0.00 0.83 0.94 -1.51 0.00 0.00 179.97 179.88 3ip4 n GLN 144 N -2.31 2.36 0.00 0.20 0.00 -0.65 -2.06 117.38 114.92 3ip4 n GLN 144 Ca 0.05 0.85 0.00 0.00 -0.00 0.00 0.00 57.00 57.89 3ip4 n GLN 144 Cb 0.45 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 28.06 3ip4 n GLN 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ip4 n GLY 145 N 3.19 1.15 3.77 1.69 0.00 0.18 -4.93 105.19 110.24 3ip4 n GLY 145 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3ip4 n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ip4 s THR 146 N -2.38 2.18 0.22 2.61 -4.23 -0.87 -1.11 115.64 112.06 3ip4 s THR 146 Ca 0.00 0.17 -0.32 0.00 -1.18 0.00 0.00 61.69 60.36 3ip4 s THR 146 Cb 0.00 -3.10 -0.12 0.00 1.34 0.00 0.00 72.50 70.62 3ip4 s THR 146 CO 0.00 0.03 1.68 -2.84 -0.54 0.00 0.00 174.62 172.95 3ip4 s PRO 147 N -2.31 4.13 0.03 3.99 0.02 -1.26 -0.81 135.00 138.79 3ip4 s PRO 147 Ca 0.58 2.58 0.01 0.00 0.02 0.00 0.00 61.00 64.19 3ip4 s PRO 147 Cb -0.43 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 3ip4 s PRO 147 CO 0.56 -0.71 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.95 3ip4 s LEU 148 N 0.83 2.21 -0.05 -5.54 1.02 -0.25 -1.76 118.68 115.14 3ip4 s LEU 148 Ca 0.72 -0.45 0.04 0.00 0.02 0.00 0.00 54.13 54.46 3ip4 s LEU 148 Cb -0.49 -0.10 -0.00 0.00 0.02 0.00 0.00 46.19 45.62 3ip4 s LEU 148 CO 0.35 -0.19 -0.17 0.27 0.02 0.00 0.00 176.35 176.63 3ip4 s ILE 149 N -1.18 1.47 -0.17 -0.59 -4.36 -0.59 -1.50 121.20 114.28 3ip4 s ILE 149 Ca -0.10 -0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 59.50 3ip4 s ILE 149 Cb -0.09 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.32 3ip4 s ILE 149 CO -0.00 0.42 0.06 -0.70 0.24 0.00 0.00 174.94 174.96 3ip4 s GLU 150 N 0.11 3.86 -0.21 0.37 2.12 0.47 -1.23 118.70 124.18 3ip4 s GLU 150 Ca -0.06 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 54.94 3ip4 s GLU 150 Cb -0.12 -3.16 0.04 0.00 0.26 0.00 0.00 34.13 31.14 3ip4 s GLU 150 CO 0.03 0.34 -0.14 0.42 -0.54 0.00 0.00 175.26 175.37 3ip4 s ILE 151 N 0.18 1.97 -0.19 -3.70 1.01 0.12 -1.31 121.20 119.28 3ip4 s ILE 151 Ca 0.04 -1.20 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 3ip4 s ILE 151 Cb -0.12 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3ip4 s ILE 151 CO 0.01 0.23 -0.02 -0.69 0.00 0.00 0.00 174.94 174.47 3ip4 s VAL 152 N 1.26 3.84 0.53 2.92 1.01 -0.75 -0.79 120.40 128.42 3ip4 s VAL 152 Ca -0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 3ip4 s VAL 152 Cb -0.16 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3ip4 s VAL 152 CO -0.09 0.44 0.89 -0.94 0.00 0.00 0.00 175.10 175.40 3ip4 s SER 153 N 0.94 6.30 0.75 3.32 1.04 -0.85 -1.15 113.70 124.05 3ip4 s SER 153 Ca 0.01 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.49 3ip4 s SER 153 Cb -0.14 -2.35 0.05 0.00 0.10 0.00 0.00 66.02 63.67 3ip4 s SER 153 CO 0.02 -0.66 1.10 -1.61 0.98 0.00 0.00 173.24 173.06 3ip4 s GLU 154 N -4.76 2.35 -1.00 4.02 0.41 0.16 -4.48 118.70 115.40 3ip4 s GLU 154 Ca 0.51 1.21 -0.08 0.00 -0.41 0.00 0.00 54.97 56.20 3ip4 s GLU 154 Cb -0.11 -1.91 -0.16 0.00 -1.78 0.00 0.00 34.13 30.18 3ip4 s GLU 154 CO 0.46 -1.58 3.19 -0.35 -0.49 0.00 0.00 175.26 176.49 3ip4 n PRO 155 N -3.32 3.02 0.00 0.39 -0.04 -1.26 -4.37 135.00 129.42 3ip4 n PRO 155 Ca 0.09 -1.73 0.12 0.00 -0.04 0.00 0.00 63.50 61.94 3ip4 n PRO 155 Cb 0.53 -2.49 0.16 0.00 -0.04 0.00 0.00 33.50 31.66 3ip4 n PRO 155 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ip4 n ASP 156 N 3.18 1.31 -4.73 3.54 8.00 -1.24 -4.51 116.55 122.11 3ip4 n ASP 156 Ca 0.65 -1.04 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 3ip4 n ASP 156 Cb 0.49 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.94 3ip4 n ASP 156 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ip4 s ILE 157 N -2.63 3.60 -0.62 0.53 -1.09 -1.04 -4.92 121.20 115.04 3ip4 s ILE 157 Ca 0.18 1.24 0.05 0.00 -2.23 0.00 0.00 60.65 59.90 3ip4 s ILE 157 Cb 0.18 -3.79 0.08 0.00 -1.58 0.00 0.00 42.46 37.35 3ip4 s ILE 157 CO 0.61 0.15 0.83 0.54 -1.23 0.00 0.00 174.94 175.84 3ip4 n ARG 158 N 3.20 0.84 -3.50 2.79 5.12 -1.26 -0.90 116.66 122.96 3ip4 n ARG 158 Ca 0.07 -1.15 -0.09 0.00 -1.93 0.00 0.00 57.85 54.75 3ip4 n ARG 158 Cb 0.44 -1.12 -0.02 0.00 -1.16 0.00 0.00 32.46 30.61 3ip4 n ARG 158 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ip4 s SER 159 N -0.65 -0.39 0.29 0.55 1.04 -1.26 -4.49 113.70 108.79 3ip4 s SER 159 Ca 0.08 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 3ip4 s SER 159 Cb 0.05 0.41 0.46 0.00 0.10 0.00 0.00 66.02 67.04 3ip4 s SER 159 CO 0.07 -0.65 1.93 -0.65 0.98 0.00 0.00 173.24 174.92 3ip4 h PRO 160 N 2.03 1.08 -0.48 4.02 0.11 -1.90 -1.23 132.00 135.64 3ip4 h PRO 160 Ca -0.23 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3ip4 h PRO 160 Cb 1.25 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3ip4 h PRO 160 CO 0.32 0.72 0.27 -0.22 -0.21 0.00 0.00 178.00 178.87 3ip4 h LYS 161 N 1.11 0.67 -0.43 1.05 1.63 -1.96 -1.08 116.57 117.57 3ip4 h LYS 161 Ca 0.37 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 3ip4 h LYS 161 Cb 0.06 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3ip4 h LYS 161 CO -0.12 0.53 0.17 0.93 -3.45 0.00 0.00 179.45 177.51 3ip4 h GLU 162 N 0.64 0.62 -0.59 1.90 5.08 -1.75 -0.44 114.58 120.03 3ip4 h GLU 162 Ca 0.17 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3ip4 h GLU 162 Cb 0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3ip4 h GLU 162 CO -0.03 0.52 0.09 0.00 -1.00 0.00 0.00 179.01 178.59 3ip4 h ALA 163 N 1.57 1.05 -0.37 3.43 0.00 -0.41 0.34 119.26 124.88 3ip4 h ALA 163 Ca 0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3ip4 h ALA 163 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ip4 h ALA 163 CO -0.01 0.61 -0.24 -0.92 0.00 0.00 0.00 179.25 178.69 3ip4 h TYR 164 N 0.90 0.95 -0.48 0.00 5.03 -0.28 -2.24 116.97 120.86 3ip4 h TYR 164 Ca 0.18 -0.26 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 3ip4 h TYR 164 Cb 0.40 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 3ip4 h TYR 164 CO 0.03 1.02 -0.03 0.00 -1.32 0.00 0.00 178.16 177.86 3ip4 h ALA 165 N 0.78 1.06 -0.07 1.82 0.00 -0.78 -1.03 119.26 121.04 3ip4 h ALA 165 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ip4 h ALA 165 Cb 0.81 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ip4 h ALA 165 CO 0.07 0.59 0.03 -0.92 0.00 0.00 0.00 179.25 179.01 3ip4 h TYR 166 N 0.75 0.10 -0.72 0.00 3.20 -0.85 -2.23 116.97 117.22 3ip4 h TYR 166 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3ip4 h TYR 166 Cb 0.50 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3ip4 h TYR 166 CO 0.03 0.23 0.42 1.25 -1.64 0.00 0.00 178.16 178.44 3ip4 h LEU 167 N -0.06 0.88 -0.49 2.82 5.85 -1.19 0.53 115.31 123.65 3ip4 h LEU 167 Ca 0.02 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3ip4 h LEU 167 Cb 0.17 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3ip4 h LEU 167 CO -0.00 0.71 0.18 -0.08 -0.34 0.00 0.00 178.44 178.90 3ip4 h GLU 168 N 0.99 0.75 -0.14 1.25 4.81 -1.11 -0.12 114.58 121.02 3ip4 h GLU 168 Ca 0.26 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3ip4 h GLU 168 Cb 0.00 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3ip4 h GLU 168 CO -0.04 0.68 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.61 3ip4 h LYS 169 N 0.66 0.31 -0.26 1.92 1.63 -1.17 -2.01 116.57 117.64 3ip4 h LYS 169 Ca 0.16 -0.14 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 3ip4 h LYS 169 Cb 0.23 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 3ip4 h LYS 169 CO -0.01 0.66 -0.01 1.25 -3.45 0.00 0.00 179.45 177.89 3ip4 h LEU 170 N -0.05 -0.12 -0.60 5.20 5.85 -0.81 -0.51 115.31 124.27 3ip4 h LEU 170 Ca 0.03 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3ip4 h LEU 170 Cb 0.58 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 3ip4 h LEU 170 CO 0.03 -0.03 0.28 -0.09 -0.34 0.00 0.00 178.44 178.29 3ip4 h ARG 171 N 0.07 0.51 -0.15 1.25 1.12 -0.99 -1.39 114.38 114.80 3ip4 h ARG 171 Ca 0.12 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 3ip4 h ARG 171 Cb 0.16 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 3ip4 h ARG 171 CO -0.21 0.34 0.08 1.03 -3.11 0.00 0.00 179.97 178.09 3ip4 h SER 172 N 0.52 0.18 -0.45 -3.80 0.87 -0.60 -0.52 113.55 109.75 3ip4 h SER 172 Ca 0.28 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3ip4 h SER 172 Cb 0.25 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3ip4 h SER 172 CO -0.22 0.22 0.28 0.40 -0.53 0.00 0.00 176.83 176.97 3ip4 h ILE 173 N 0.13 1.14 -0.62 2.23 2.04 -0.71 -2.06 117.51 119.66 3ip4 h ILE 173 Ca 0.05 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 3ip4 h ILE 173 Cb 0.08 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3ip4 h ILE 173 CO -0.01 0.14 0.18 0.40 0.00 0.00 0.00 178.15 178.86 3ip4 h ILE 174 N 0.60 1.25 -0.84 -0.67 1.08 -1.17 -2.55 117.51 115.22 3ip4 h ILE 174 Ca 0.16 -0.88 0.06 0.00 -0.39 0.00 0.00 64.86 63.82 3ip4 h ILE 174 Cb -0.01 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 3ip4 h ILE 174 CO -0.03 0.33 0.55 -0.61 -0.69 0.00 0.00 178.15 177.70 3ip4 h GLN 175 N 0.90 0.91 -0.19 2.37 -0.00 -0.78 -1.33 115.11 116.99 3ip4 h GLN 175 Ca 0.20 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.75 3ip4 h GLN 175 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 3ip4 h GLN 175 CO -0.00 0.60 -0.09 1.88 0.00 0.00 0.00 178.83 181.22 3ip4 h TYR 176 N 0.94 0.31 0.00 3.99 -1.99 -0.95 -2.52 116.97 116.74 3ip4 h TYR 176 Ca 0.36 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 3ip4 h TYR 176 Cb 0.21 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.85 3ip4 h TYR 176 CO -0.00 0.39 -0.01 1.79 -0.00 0.00 0.00 178.16 180.33 3ip4 h THR 177 N 0.28 0.03 -0.23 -2.88 1.35 -1.10 -3.45 112.91 106.91 3ip4 h THR 177 Ca 0.06 -0.62 -0.10 0.00 -0.55 0.00 0.00 66.41 65.20 3ip4 h THR 177 Cb 0.35 1.60 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 3ip4 h THR 177 CO 0.02 0.01 -0.09 0.61 -0.25 0.00 0.00 175.52 175.82 3ip4 n GLY 178 N 0.20 0.75 0.01 5.82 0.00 -0.95 -4.90 105.19 106.12 3ip4 n GLY 178 Ca 0.01 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3ip4 n GLY 178 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ip4 n VAL 179 N -2.78 0.07 -3.46 1.61 0.24 -1.26 -4.90 118.33 107.86 3ip4 n VAL 179 Ca -0.05 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 3ip4 n VAL 179 Cb 0.20 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.65 3ip4 n VAL 179 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ip4 s SER 180 N -3.26 -0.49 0.02 -1.34 0.15 -1.26 -0.79 113.70 106.72 3ip4 s SER 180 Ca 0.10 0.03 0.25 0.00 0.70 0.00 0.00 55.95 57.03 3ip4 s SER 180 Cb 0.17 0.51 0.53 0.00 -1.71 0.00 0.00 66.02 65.52 3ip4 s SER 180 CO 0.69 -0.82 1.44 0.47 1.20 0.00 0.00 173.24 176.21 3ip4 n ASP 181 N -0.27 0.49 -3.31 5.45 8.00 -1.26 -4.60 116.55 121.05 3ip4 n ASP 181 Ca -0.14 -0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.08 3ip4 n ASP 181 Cb 0.63 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 3ip4 n ASP 181 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ip4 n VAL 182 N -1.61 -1.97 -4.04 2.53 0.24 -1.26 -4.96 118.33 107.26 3ip4 n VAL 182 Ca 0.05 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.34 62.03 3ip4 n VAL 182 Cb 0.35 -1.76 -0.16 0.00 -1.47 0.00 0.00 33.84 30.81 3ip4 n VAL 182 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ip4 s LYS 183 N -3.87 2.39 0.30 7.34 1.02 -1.26 -4.74 119.74 120.92 3ip4 s LYS 183 Ca 0.00 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 3ip4 s LYS 183 Cb -0.00 -2.41 0.47 0.00 -0.52 0.00 0.00 37.83 35.36 3ip4 s LYS 183 CO 0.55 -0.33 1.94 0.52 -0.92 0.00 0.00 175.35 177.11 3ip4 h MET 184 N 7.97 0.97 0.00 1.68 2.86 -1.87 -1.50 114.93 125.03 3ip4 h MET 184 Ca -0.35 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3ip4 h MET 184 Cb 1.11 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 3ip4 h MET 184 CO 0.53 0.70 -0.01 1.05 1.06 0.00 0.00 176.91 180.24 3ip4 h GLU 185 N 0.98 0.00 -0.02 1.72 9.09 -1.87 -1.34 114.58 123.14 3ip4 h GLU 185 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3ip4 h GLU 185 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 3ip4 h GLU 185 CO -0.04 0.01 -0.06 0.39 0.05 0.00 0.00 179.01 179.36 3ip4 n GLU 186 N -3.47 1.16 -0.89 1.06 1.02 -0.73 -4.99 120.64 113.80 3ip4 n GLU 186 Ca -0.03 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 3ip4 n GLU 186 Cb 0.10 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3ip4 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ip4 n GLY 187 N 0.85 0.91 0.00 0.62 0.00 -0.51 -4.88 105.19 102.18 3ip4 n GLY 187 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3ip4 n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ip4 n SER 188 N 0.00 0.00 -3.70 1.61 3.41 -0.86 -4.49 113.62 109.58 3ip4 n SER 188 Ca 0.00 -0.23 -0.17 0.00 -0.26 0.00 0.00 58.87 58.20 3ip4 n SER 188 Cb 0.00 -0.23 -0.17 0.00 -0.26 0.00 0.00 64.21 63.56 3ip4 n SER 188 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ip4 s LEU 189 N -2.45 0.39 0.11 1.04 2.96 -1.21 -1.75 118.68 117.76 3ip4 s LEU 189 Ca 0.27 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 3ip4 s LEU 189 Cb 0.17 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.85 3ip4 s LEU 189 CO 0.37 -0.21 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.94 3ip4 s ARG 190 N 1.82 0.93 -0.20 1.98 0.52 0.23 -3.97 118.95 120.26 3ip4 s ARG 190 Ca -0.00 -1.16 -0.09 0.00 -0.52 0.00 0.00 55.73 53.95 3ip4 s ARG 190 Cb -0.12 -0.78 0.08 0.00 0.52 0.00 0.00 34.95 34.65 3ip4 s ARG 190 CO -0.04 0.15 0.46 0.00 0.02 0.00 0.00 175.30 175.88 3ip4 s ASP 192 N 1.94 4.70 0.02 0.00 1.11 -0.10 -4.42 116.67 119.92 3ip4 s ASP 192 Ca -0.07 -0.14 0.08 0.00 0.18 0.00 0.00 52.55 52.60 3ip4 s ASP 192 Cb -0.10 -1.10 -0.03 0.00 1.07 0.00 0.00 42.92 42.76 3ip4 s ASP 192 CO -0.14 0.27 -0.23 0.00 1.18 0.00 0.00 175.17 176.25 3ip4 s ALA 193 N -1.04 2.35 -0.12 5.23 0.00 -1.01 -1.00 121.76 126.18 3ip4 s ALA 193 Ca 0.18 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3ip4 s ALA 193 Cb -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3ip4 s ALA 193 CO 0.09 0.54 -0.19 -0.80 0.00 0.00 0.00 175.76 175.40 3ip4 s ASN 194 N -1.10 2.79 0.00 0.00 0.01 0.14 0.64 114.94 117.42 3ip4 s ASN 194 Ca 0.12 -0.52 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 3ip4 s ASN 194 Cb -0.10 -1.27 -0.01 0.00 0.41 0.00 0.00 41.25 40.28 3ip4 s ASN 194 CO 0.02 0.06 0.01 -0.51 -1.51 0.00 0.00 177.10 175.17 3ip4 s ILE 195 N 0.85 0.05 -0.10 0.60 2.07 -0.58 -0.60 121.20 123.49 3ip4 s ILE 195 Ca -0.08 -0.43 -0.24 0.00 -1.41 0.00 0.00 60.65 58.49 3ip4 s ILE 195 Cb -0.15 -0.17 0.06 0.00 0.13 0.00 0.00 42.46 42.33 3ip4 s ILE 195 CO -0.01 -0.24 0.58 -0.55 -1.91 0.00 0.00 174.94 172.81 3ip4 s SER 196 N -0.71 -0.55 -0.03 4.50 0.15 -0.75 -1.49 113.70 114.82 3ip4 s SER 196 Ca -0.08 0.76 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 3ip4 s SER 196 Cb -0.05 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 64.96 3ip4 s SER 196 CO -0.00 -0.44 0.05 -0.76 1.20 0.00 0.00 173.24 173.29 3ip4 s LEU 197 N -0.70 3.77 -0.23 3.45 1.02 -1.26 -1.65 118.68 123.08 3ip4 s LEU 197 Ca -0.08 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.21 3ip4 s LEU 197 Cb -0.03 -2.08 0.06 0.00 0.02 0.00 0.00 46.19 44.17 3ip4 s LEU 197 CO 0.06 0.31 -0.04 -0.60 0.02 0.00 0.00 176.35 176.10 3ip4 s ARG 198 N -1.41 1.52 0.15 1.70 3.52 -0.28 -0.58 118.95 123.57 3ip4 s ARG 198 Ca 0.19 -0.92 -0.32 0.00 -0.13 0.00 0.00 55.73 54.55 3ip4 s ARG 198 Cb -0.12 -2.52 -0.12 0.00 -1.56 0.00 0.00 34.95 30.63 3ip4 s ARG 198 CO 0.09 -0.60 1.76 -2.30 -0.81 0.00 0.00 175.30 173.45 3ip4 n PRO 199 N 4.72 2.66 -1.62 5.12 -0.02 -1.26 -0.15 135.00 144.45 3ip4 n PRO 199 Ca -0.12 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 3ip4 n PRO 199 Cb 0.44 -2.82 0.03 0.00 -0.02 0.00 0.00 33.50 31.13 3ip4 n PRO 199 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ip4 n TYR 200 N 4.78 1.14 0.00 6.00 4.01 0.97 -3.21 117.16 130.85 3ip4 n TYR 200 Ca 0.17 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.41 3ip4 n TYR 200 Cb 0.35 -2.21 0.00 0.00 -0.31 0.00 0.00 39.34 37.17 3ip4 n TYR 200 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ip4 n GLY 201 N 1.18 2.95 2.52 2.72 0.00 -1.26 -4.93 105.19 108.37 3ip4 n GLY 201 Ca 0.11 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 3ip4 n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip4 n GLN 202 N 0.00 1.03 0.00 1.61 -0.00 -1.20 -5.09 117.38 113.73 3ip4 n GLN 202 Ca 0.00 -2.57 0.05 0.00 -0.00 0.00 0.00 57.00 54.48 3ip4 n GLN 202 Cb 0.00 0.85 -0.02 0.00 -0.00 0.00 0.00 30.24 31.07 3ip4 n GLN 202 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 3ip4 n GLU 203 N -0.84 2.51 -2.61 2.61 0.00 -1.26 -4.82 120.64 116.24 3ip4 n GLU 203 Ca -0.12 -0.43 -0.38 0.00 0.00 0.00 0.00 57.16 56.23 3ip4 n GLU 203 Cb 0.45 -1.07 -0.05 0.00 0.00 0.00 0.00 31.44 30.76 3ip4 n GLU 203 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3ip4 s LYS 204 N -1.62 4.48 0.20 3.44 1.02 -1.26 -5.05 119.74 120.94 3ip4 s LYS 204 Ca 0.07 1.55 0.05 0.00 0.02 0.00 0.00 55.97 57.66 3ip4 s LYS 204 Cb 0.09 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 3ip4 s LYS 204 CO 0.33 0.13 0.25 -0.06 -0.92 0.00 0.00 175.35 175.08 3ip4 s PHE 205 N -1.46 3.33 0.00 3.18 0.40 -1.26 -4.23 117.98 117.94 3ip4 s PHE 205 Ca 0.50 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.84 3ip4 s PHE 205 Cb -0.24 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.73 3ip4 s PHE 205 CO 0.31 0.50 0.00 0.41 0.70 0.00 0.00 175.22 177.14 3ip4 n GLY 206 N -0.86 -0.31 3.68 4.36 0.00 0.26 -4.98 105.19 107.33 3ip4 n GLY 206 Ca -0.08 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 3ip4 n GLY 206 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ip4 n THR 207 N -0.13 4.38 -4.99 2.61 5.66 -1.26 -4.70 114.28 115.85 3ip4 n THR 207 Ca 0.00 -0.49 -0.32 0.00 -3.05 0.00 0.00 64.05 60.19 3ip4 n THR 207 Cb 0.00 -1.34 -0.14 0.00 -1.55 0.00 0.00 70.33 67.30 3ip4 n THR 207 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3ip4 s LYS 208 N -3.18 2.64 0.00 1.09 2.20 0.22 -4.31 119.74 118.41 3ip4 s LYS 208 Ca 0.80 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 55.69 3ip4 s LYS 208 Cb -0.39 -2.35 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 3ip4 s LYS 208 CO 0.43 0.49 -0.13 0.00 -0.36 0.00 0.00 175.35 175.78 3ip4 s ALA 209 N -0.39 1.06 -0.25 3.13 0.00 -0.55 -0.16 121.76 124.60 3ip4 s ALA 209 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 3ip4 s ALA 209 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3ip4 s ALA 209 CO 0.02 0.24 0.08 -2.00 0.00 0.00 0.00 175.76 174.10 3ip4 s GLU 210 N -0.54 3.69 -0.24 0.00 2.12 0.67 -1.52 118.70 122.88 3ip4 s GLU 210 Ca 0.04 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 54.78 3ip4 s GLU 210 Cb -0.06 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 3ip4 s GLU 210 CO 0.00 -0.18 0.24 -0.51 -0.54 0.00 0.00 175.26 174.27 3ip4 s LEU 211 N 1.60 4.11 0.39 2.70 1.43 0.21 -0.67 118.68 128.45 3ip4 s LEU 211 Ca 0.06 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3ip4 s LEU 211 Cb -0.15 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3ip4 s LEU 211 CO 0.04 -0.01 0.22 -0.54 0.23 0.00 0.00 176.35 176.30 3ip4 s LYS 212 N 1.29 2.35 -1.07 1.70 1.02 0.54 -2.39 119.74 123.18 3ip4 s LYS 212 Ca 0.11 -1.69 -0.06 0.00 0.02 0.00 0.00 55.97 54.35 3ip4 s LYS 212 Cb -0.14 -2.14 0.01 0.00 -0.52 0.00 0.00 37.83 35.04 3ip4 s LYS 212 CO 0.07 -0.08 0.93 -1.71 -0.92 0.00 0.00 175.35 173.64 3ip4 n ASN 213 N -1.30 -5.04 -4.28 2.83 5.15 -1.26 -0.79 115.26 110.57 3ip4 n ASN 213 Ca -0.00 -0.44 -0.45 0.00 -0.60 0.00 0.00 54.58 53.09 3ip4 n ASN 213 Cb 0.63 -4.13 -0.04 0.00 -0.53 0.00 0.00 39.78 35.70 3ip4 n ASN 213 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ip4 s LEU 214 N -5.96 6.30 -0.00 1.20 1.43 -1.26 -4.48 118.68 115.90 3ip4 s LEU 214 Ca 0.41 -2.36 0.13 0.00 -1.03 0.00 0.00 54.13 51.27 3ip4 s LEU 214 Cb -0.18 -2.15 0.38 0.00 0.03 0.00 0.00 46.19 44.28 3ip4 s LEU 214 CO 0.58 -0.64 1.32 0.59 0.23 0.00 0.00 176.35 178.42 3ip4 n ASN 215 N 4.39 2.33 -3.62 2.29 3.02 -1.26 -4.48 115.26 117.93 3ip4 n ASN 215 Ca 0.03 -2.01 -0.09 0.00 -0.03 0.00 0.00 54.58 52.48 3ip4 n ASN 215 Cb 0.43 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 3ip4 n ASN 215 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3ip4 s SER 216 N -0.99 -0.39 0.36 6.41 0.15 -1.26 -4.30 113.70 113.67 3ip4 s SER 216 Ca 0.29 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.72 3ip4 s SER 216 Cb 0.15 0.60 0.68 0.00 -1.71 0.00 0.00 66.02 65.74 3ip4 s SER 216 CO 0.19 -1.04 2.00 -0.26 1.20 0.00 0.00 173.24 175.33 3ip4 h PHE 217 N 2.00 0.77 -0.08 3.44 -1.00 -2.00 -1.02 116.94 119.05 3ip4 h PHE 217 Ca -0.26 0.02 -0.24 0.00 2.81 0.00 0.00 57.97 60.30 3ip4 h PHE 217 Cb 1.27 -0.26 0.01 0.00 3.61 0.00 0.00 35.95 40.58 3ip4 h PHE 217 CO 0.32 0.46 -0.88 -0.97 -1.61 0.00 0.00 178.31 175.64 3ip4 h ASN 218 N 0.81 0.86 0.70 2.17 -1.24 -1.99 -2.82 115.58 114.07 3ip4 h ASN 218 Ca 0.25 -0.62 -0.05 0.00 0.71 0.00 0.00 56.30 56.59 3ip4 h ASN 218 Cb 0.00 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 3ip4 h ASN 218 CO -0.06 1.41 -0.23 1.88 -1.29 0.00 0.00 177.43 179.13 3ip4 h TYR 219 N 0.45 0.00 0.14 0.67 0.05 -1.83 0.88 116.97 117.32 3ip4 h TYR 219 Ca -0.08 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 3ip4 h TYR 219 Cb 1.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.25 3ip4 h TYR 219 CO 0.09 0.23 -0.07 0.28 -1.05 0.00 0.00 178.16 177.64 3ip4 h VAL 220 N 0.00 0.98 -0.77 -2.88 2.07 -1.15 0.78 116.25 115.28 3ip4 h VAL 220 Ca -0.00 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 3ip4 h VAL 220 Cb 0.65 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3ip4 h VAL 220 CO 0.03 0.24 0.42 -0.09 0.02 0.00 0.00 177.57 178.19 3ip4 h ARG 221 N -0.77 1.08 -0.06 1.57 2.43 -1.36 -1.17 114.38 116.10 3ip4 h ARG 221 Ca -0.02 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.89 3ip4 h ARG 221 Cb 0.53 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3ip4 h ARG 221 CO 0.03 0.80 -0.57 0.87 -1.51 0.00 0.00 179.97 179.60 3ip4 h LYS 222 N 1.07 0.18 -0.30 0.20 1.79 -0.87 -0.54 116.57 118.10 3ip4 h LYS 222 Ca 0.27 -0.12 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 3ip4 h LYS 222 Cb 0.04 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3ip4 h LYS 222 CO -0.04 0.70 -0.34 0.78 -1.08 0.00 0.00 179.45 179.47 3ip4 h GLY 223 N 1.50 0.83 1.47 3.86 0.00 -0.48 -2.57 103.07 107.68 3ip4 h GLY 223 Ca -0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 46.34 3ip4 h GLY 223 CO 0.08 0.78 -0.33 1.41 0.00 0.00 0.00 176.54 178.48 3ip4 h LEU 224 N 0.52 0.62 -0.41 3.11 3.38 -1.13 -1.39 115.31 120.01 3ip4 h LEU 224 Ca 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ip4 h LEU 224 Cb 0.92 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3ip4 h LEU 224 CO 0.08 0.91 0.19 -0.33 0.09 0.00 0.00 178.44 179.38 3ip4 h GLU 225 N 0.51 0.59 -0.42 1.13 5.08 -1.02 0.17 114.58 120.62 3ip4 h GLU 225 Ca 0.06 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3ip4 h GLU 225 Cb 0.82 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 3ip4 h GLU 225 CO 0.07 0.53 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.41 3ip4 h TYR 226 N 0.52 1.09 -0.55 4.33 5.03 -1.38 -2.74 116.97 123.27 3ip4 h TYR 226 Ca 0.14 -0.29 -0.11 0.00 2.58 0.00 0.00 58.73 61.04 3ip4 h TYR 226 Cb 0.13 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.15 3ip4 h TYR 226 CO -0.01 1.11 -0.10 1.49 -1.32 0.00 0.00 178.16 179.32 3ip4 h GLU 227 N 0.76 1.04 -0.94 1.82 4.57 -1.05 -0.27 114.58 120.51 3ip4 h GLU 227 Ca 0.08 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3ip4 h GLU 227 Cb 0.86 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.34 3ip4 h GLU 227 CO 0.08 1.08 0.59 1.49 -1.18 0.00 0.00 179.01 181.06 3ip4 h GLU 228 N 0.93 1.26 -0.11 1.92 4.81 -0.63 0.66 114.58 123.42 3ip4 h GLU 228 Ca 0.14 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 3ip4 h GLU 228 Cb 0.68 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.80 3ip4 h GLU 228 CO 0.05 0.86 -0.79 -0.22 -0.73 0.00 0.00 179.01 178.18 3ip4 h LYS 229 N 1.29 0.73 -0.51 1.92 1.63 -1.25 -1.66 116.57 118.72 3ip4 h LYS 229 Ca 0.34 -0.64 -0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3ip4 h LYS 229 Cb -0.09 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3ip4 h LYS 229 CO -0.07 1.24 0.31 -0.09 -3.45 0.00 0.00 179.45 177.40 3ip4 h ARG 230 N 0.43 0.69 -0.11 1.90 2.43 -0.69 -1.15 114.38 117.89 3ip4 h ARG 230 Ca -0.07 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3ip4 h ARG 230 Cb 1.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 3ip4 h ARG 230 CO 0.16 0.50 -0.28 1.96 -1.51 0.00 0.00 179.97 180.80 3ip4 h GLN 231 N 0.69 0.19 -0.09 0.20 4.20 -0.87 -1.17 115.11 118.25 3ip4 h GLN 231 Ca 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3ip4 h GLN 231 Cb -0.02 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3ip4 h GLN 231 CO -0.04 0.46 0.03 1.49 -0.67 0.00 0.00 178.83 180.11 3ip4 h GLU 232 N 0.17 0.14 -0.84 1.46 4.81 -0.52 -0.10 114.58 119.70 3ip4 h GLU 232 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ip4 h GLU 232 Cb 0.59 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3ip4 h GLU 232 CO 0.04 0.29 0.53 0.93 -0.73 0.00 0.00 179.01 180.08 3ip4 h GLU 233 N -0.04 1.13 -0.61 1.92 5.08 -0.90 -1.00 114.58 120.16 3ip4 h GLU 233 Ca 0.03 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3ip4 h GLU 233 Cb 0.21 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3ip4 h GLU 233 CO -0.00 0.77 0.19 0.93 -1.00 0.00 0.00 179.01 179.89 3ip4 h GLU 234 N 1.15 0.92 -0.38 2.33 4.39 -1.02 0.29 114.58 122.26 3ip4 h GLU 234 Ca 0.31 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3ip4 h GLU 234 Cb -0.09 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 3ip4 h GLU 234 CO -0.06 0.79 0.17 1.25 -1.16 0.00 0.00 179.01 180.00 3ip4 h LEU 235 N 0.89 0.50 -0.70 1.33 7.12 -0.14 -0.20 115.31 124.12 3ip4 h LEU 235 Ca 0.20 -0.14 -0.13 0.00 0.13 0.00 0.00 57.88 57.94 3ip4 h LEU 235 Cb 0.26 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 3ip4 h LEU 235 CO -0.01 0.51 -0.62 -0.07 -0.13 0.00 0.00 178.44 178.11 3ip4 h LEU 236 N 0.47 0.00 -0.35 2.25 4.07 -0.79 -2.99 115.31 117.97 3ip4 h LEU 236 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3ip4 h LEU 236 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 3ip4 h LEU 236 CO -0.01 0.62 -0.11 0.59 -1.08 0.00 0.00 178.44 178.45 3ip4 n ASN 237 N -3.72 0.66 -1.24 -0.43 3.02 0.97 -4.92 115.26 109.59 3ip4 n ASN 237 Ca -0.01 -0.78 -0.13 0.00 -0.03 0.00 0.00 54.58 53.63 3ip4 n ASN 237 Cb 0.64 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 3ip4 n ASN 237 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ip4 n GLY 238 N 1.25 0.67 3.55 7.41 0.00 -0.36 -4.98 105.19 112.74 3ip4 n GLY 238 Ca 0.15 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 3ip4 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip4 n GLY 239 N -1.20 -1.22 3.77 -0.02 0.00 -0.23 -4.92 105.19 101.37 3ip4 n GLY 239 Ca -0.14 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 3ip4 n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ip4 s GLU 240 N -4.35 4.05 0.12 1.61 2.02 -1.26 -4.91 118.70 115.98 3ip4 s GLU 240 Ca 0.65 2.33 -0.08 0.00 0.02 0.00 0.00 54.97 57.89 3ip4 s GLU 240 Cb -0.23 -2.87 -0.06 0.00 0.10 0.00 0.00 34.13 31.07 3ip4 s GLU 240 CO 0.62 -0.49 0.41 0.42 0.02 0.00 0.00 175.26 176.25 3ip4 s ILE 241 N -1.18 5.10 0.00 -1.63 1.01 -1.26 -4.69 121.20 118.54 3ip4 s ILE 241 Ca 0.54 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.50 3ip4 s ILE 241 Cb -0.42 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3ip4 s ILE 241 CO 0.55 0.15 0.00 0.61 0.00 0.00 0.00 174.94 176.25 3ip4 n GLY 242 N 0.48 -0.57 3.52 6.18 0.00 -1.26 -4.93 105.19 108.60 3ip4 n GLY 242 Ca -0.05 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 3ip4 n GLY 242 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ip4 s GLN 243 N -2.00 3.37 0.12 1.61 1.11 -1.26 -0.61 119.66 122.00 3ip4 s GLN 243 Ca 0.00 -0.55 0.08 0.00 0.01 0.00 0.00 55.36 54.90 3ip4 s GLN 243 Cb 0.00 -3.87 -0.04 0.00 -1.01 0.00 0.00 33.01 28.09 3ip4 s GLN 243 CO 0.00 -0.67 -0.12 -1.21 0.01 0.00 0.00 175.29 173.30 3ip4 s GLU 244 N 2.08 2.00 -0.22 2.91 2.02 0.77 -0.41 118.70 127.85 3ip4 s GLU 244 Ca 0.12 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 54.00 3ip4 s GLU 244 Cb -0.17 -2.21 0.05 0.00 0.10 0.00 0.00 34.13 31.90 3ip4 s GLU 244 CO 0.12 0.48 -0.11 0.99 0.02 0.00 0.00 175.26 176.76 3ip4 s THR 245 N -1.30 1.86 0.14 3.63 2.01 -0.78 -0.24 115.64 120.97 3ip4 s THR 245 Ca 0.21 -1.22 0.11 0.00 0.31 0.00 0.00 61.69 61.10 3ip4 s THR 245 Cb -0.10 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3ip4 s THR 245 CO 0.13 0.13 -0.26 -0.13 -0.69 0.00 0.00 174.62 173.80 3ip4 s ARG 246 N 1.28 1.42 -0.13 4.92 0.52 0.15 0.08 118.95 127.20 3ip4 s ARG 246 Ca -0.03 -1.38 -0.01 0.00 -0.52 0.00 0.00 55.73 53.78 3ip4 s ARG 246 Cb -0.17 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 3ip4 s ARG 246 CO -0.08 0.44 -0.10 -0.98 0.02 0.00 0.00 175.30 174.60 3ip4 s ARG 247 N -2.19 3.41 0.36 3.54 1.70 0.70 -0.34 118.95 126.13 3ip4 s ARG 247 Ca 0.15 -0.63 -0.26 0.00 -0.47 0.00 0.00 55.73 54.52 3ip4 s ARG 247 Cb -0.10 -2.70 -0.09 0.00 -0.57 0.00 0.00 34.95 31.49 3ip4 s ARG 247 CO 0.07 0.26 1.10 0.12 -1.08 0.00 0.00 175.30 175.77 3ip4 s PHE 248 N 0.26 3.31 -0.31 5.89 2.19 0.03 -0.53 117.98 128.83 3ip4 s PHE 248 Ca -0.07 1.63 -0.06 0.00 0.33 0.00 0.00 56.93 58.76 3ip4 s PHE 248 Cb -0.15 -3.26 0.02 0.00 -1.31 0.00 0.00 43.02 38.32 3ip4 s PHE 248 CO 0.05 -0.81 0.08 0.34 1.83 0.00 0.00 175.22 176.70 3ip4 s ASP 249 N -1.20 5.17 0.30 6.13 -1.08 0.12 -4.84 116.67 121.27 3ip4 s ASP 249 Ca 0.53 -0.89 0.04 0.00 -0.52 0.00 0.00 52.55 51.71 3ip4 s ASP 249 Cb -0.28 -1.87 0.48 0.00 -1.46 0.00 0.00 42.92 39.79 3ip4 s ASP 249 CO 0.35 -0.24 1.75 -0.33 0.52 0.00 0.00 175.17 177.22 3ip4 h GLU 250 N 8.22 0.41 -0.15 4.34 5.08 -1.90 0.84 114.58 131.41 3ip4 h GLU 250 Ca -0.28 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3ip4 h GLU 250 Cb 1.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3ip4 h GLU 250 CO 0.60 0.63 0.00 -1.13 -1.00 0.00 0.00 179.01 178.11 3ip4 n SER 251 N -4.13 0.88 0.00 1.42 3.41 -1.26 -4.11 113.62 109.82 3ip4 n SER 251 Ca -0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3ip4 n SER 251 Cb 0.39 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ip4 n SER 251 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ip4 n THR 252 N -0.05 0.00 -0.87 6.66 -1.04 -1.06 -5.03 114.28 112.89 3ip4 n THR 252 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3ip4 n THR 252 Cb 0.15 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 3ip4 n THR 252 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ip4 n GLY 253 N 0.30 0.53 3.92 3.41 0.00 0.29 -5.04 105.19 108.61 3ip4 n GLY 253 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3ip4 n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip4 s LYS 254 N -0.64 2.31 -0.11 1.61 1.02 -1.22 -4.79 119.74 117.92 3ip4 s LYS 254 Ca 0.00 -1.86 0.02 0.00 0.02 0.00 0.00 55.97 54.15 3ip4 s LYS 254 Cb 0.00 -2.25 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3ip4 s LYS 254 CO 0.00 -0.58 -0.18 0.95 -0.92 0.00 0.00 175.35 174.62 3ip4 s THR 255 N -2.70 1.71 -0.12 2.17 -4.23 -1.26 0.13 115.64 111.34 3ip4 s THR 255 Ca 0.42 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 60.09 3ip4 s THR 255 Cb -0.03 -1.53 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3ip4 s THR 255 CO 0.26 0.48 0.06 -0.63 -0.54 0.00 0.00 174.62 174.25 3ip4 s ILE 256 N 0.77 4.80 -0.16 2.99 1.09 0.32 -4.86 121.20 126.15 3ip4 s ILE 256 Ca -0.10 -0.05 -0.29 0.00 -1.10 0.00 0.00 60.65 59.10 3ip4 s ILE 256 Cb -0.16 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 3ip4 s ILE 256 CO 0.01 0.57 1.66 -0.22 -0.10 0.00 0.00 174.94 176.85 3ip4 s LEU 257 N -0.55 4.04 -0.09 2.97 2.96 -1.26 -0.21 118.68 126.53 3ip4 s LEU 257 Ca 0.11 1.87 -0.09 0.00 -0.22 0.00 0.00 54.13 55.80 3ip4 s LEU 257 Cb -0.12 -3.53 -0.28 0.00 0.50 0.00 0.00 46.19 42.76 3ip4 s LEU 257 CO 0.02 -1.16 0.49 0.24 -1.32 0.00 0.00 176.35 174.62 3ip4 h MET 258 N 10.45 0.32 -2.23 1.98 2.86 -0.69 -3.47 114.93 124.14 3ip4 h MET 258 Ca -0.36 -0.54 0.05 0.00 -2.06 0.00 0.00 59.70 56.79 3ip4 h MET 258 Cb 1.17 0.20 -0.17 0.00 0.06 0.00 0.00 31.60 32.86 3ip4 h MET 258 CO 0.98 1.26 0.40 -0.98 1.06 0.00 0.00 176.91 179.63 3ip4 s ARG 259 N -2.56 0.90 -0.57 1.72 1.70 -1.02 -5.02 118.95 114.10 3ip4 s ARG 259 Ca -0.20 -0.16 -0.08 0.00 -0.47 0.00 0.00 55.73 54.83 3ip4 s ARG 259 Cb 0.06 0.42 0.15 0.00 -0.57 0.00 0.00 34.95 35.01 3ip4 s ARG 259 CO 0.80 -0.36 0.44 0.08 -1.08 0.00 0.00 175.30 175.18 3ip4 s VAL 260 N -2.54 4.23 0.11 4.99 1.01 -1.26 -1.86 120.40 125.08 3ip4 s VAL 260 Ca 0.00 -2.29 -0.33 0.00 0.00 0.00 0.00 61.98 59.37 3ip4 s VAL 260 Cb -0.01 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 3ip4 s VAL 260 CO -0.05 -0.84 1.70 1.17 0.00 0.00 0.00 175.10 177.08 3ip4 n LYS 261 N 4.29 2.36 -3.79 2.72 4.81 0.45 -4.95 118.16 124.05 3ip4 n LYS 261 Ca 0.01 0.85 -0.36 0.00 -0.87 0.00 0.00 58.31 57.95 3ip4 n LYS 261 Cb 0.41 -2.67 -0.12 0.00 0.02 0.00 0.00 35.03 32.67 3ip4 n LYS 261 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3ip4 s GLU 262 N 1.87 2.00 1.27 1.64 -1.05 -1.26 -4.29 118.70 118.88 3ip4 s GLU 262 Ca 0.81 -1.81 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 3ip4 s GLU 262 Cb -0.62 -3.56 0.00 0.00 -0.44 0.00 0.00 34.13 29.51 3ip4 s GLU 262 CO 0.40 -1.06 0.00 0.41 0.95 0.00 0.00 175.26 175.96 3ip4 n GLY 263 N 4.58 1.09 3.49 -3.83 0.00 -1.26 -4.90 105.19 104.37 3ip4 n GLY 263 Ca -0.02 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 3ip4 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ip4 s SER 264 N -4.00 -0.64 0.24 1.61 0.01 -1.26 -5.05 113.70 104.60 3ip4 s SER 264 Ca 0.00 1.20 -0.31 0.00 1.31 0.00 0.00 55.95 58.15 3ip4 s SER 264 Cb 0.00 1.20 -0.12 0.00 0.21 0.00 0.00 66.02 67.31 3ip4 s SER 264 CO 0.00 -0.21 1.68 -1.81 0.41 0.00 0.00 173.24 173.31 3ip4 s ASP 265 N 0.50 6.37 -0.44 2.44 1.01 -1.26 -4.95 116.67 120.33 3ip4 s ASP 265 Ca -0.01 2.90 -0.12 0.00 0.71 0.00 0.00 52.55 56.03 3ip4 s ASP 265 Cb -0.04 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.35 3ip4 s ASP 265 CO -0.02 -0.96 0.32 -0.62 0.21 0.00 0.00 175.17 174.11 3ip4 s ASP 266 N 0.94 5.87 0.00 0.27 -1.08 -1.26 -4.92 116.67 116.49 3ip4 s ASP 266 Ca 0.71 -1.43 0.20 0.00 -0.52 0.00 0.00 52.55 51.50 3ip4 s ASP 266 Cb -0.49 -2.08 0.57 0.00 -1.46 0.00 0.00 42.92 39.46 3ip4 s ASP 266 CO 0.38 -0.59 1.45 -1.22 0.52 0.00 0.00 175.17 175.71 3ip4 n TYR 267 N 5.05 0.39 -4.23 -5.34 4.01 -1.26 -4.93 117.16 110.85 3ip4 n TYR 267 Ca -0.11 -0.19 -0.35 0.00 -0.16 0.00 0.00 57.90 57.08 3ip4 n TYR 267 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 3ip4 n TYR 267 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ip4 n ARG 268 N 0.75 -0.87 -1.77 -0.72 1.74 -1.26 -0.88 116.66 113.64 3ip4 n ARG 268 Ca 0.17 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.93 3ip4 n ARG 268 Cb 0.41 -3.33 -0.03 0.00 -1.02 0.00 0.00 32.46 28.49 3ip4 n ARG 268 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ip4 s TYR 269 N -4.11 2.90 -0.03 -1.55 2.02 -1.26 -4.59 117.35 110.73 3ip4 s TYR 269 Ca 0.15 0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 57.04 3ip4 s TYR 269 Cb -0.08 -4.10 0.04 0.00 -0.40 0.00 0.00 41.96 37.42 3ip4 s TYR 269 CO 0.99 -4.15 0.41 -0.59 -1.57 0.00 0.00 175.55 170.63 3ip4 s PHE 270 N 1.25 -0.31 0.14 2.71 -0.12 -1.20 -4.97 117.98 115.47 3ip4 s PHE 270 Ca 0.74 0.53 -0.34 0.00 -0.05 0.00 0.00 56.93 57.80 3ip4 s PHE 270 Cb -0.48 0.18 -0.14 0.00 -0.63 0.00 0.00 43.02 41.94 3ip4 s PHE 270 CO 0.32 -0.43 1.54 -2.30 -0.05 0.00 0.00 175.22 174.30 3ip4 n PRO 271 N 1.28 1.97 -2.14 1.99 -0.02 -1.26 -1.01 135.00 135.81 3ip4 n PRO 271 Ca -0.20 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 3ip4 n PRO 271 Cb 0.56 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3ip4 n PRO 271 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ip4 s GLU 272 N 0.93 3.56 0.36 -0.52 2.56 0.26 -4.79 118.70 121.06 3ip4 s GLU 272 Ca 0.80 1.38 0.14 0.00 0.00 0.00 0.00 54.97 57.29 3ip4 s GLU 272 Cb -0.73 -4.09 0.67 0.00 2.00 0.00 0.00 34.13 31.98 3ip4 s GLU 272 CO 0.40 -1.58 1.78 -1.35 -0.56 0.00 0.00 175.26 173.95 3ip4 h PRO 273 N 11.53 0.00 0.00 4.30 0.11 -1.91 -3.21 132.00 142.82 3ip4 h PRO 273 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ip4 h PRO 273 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ip4 h PRO 273 CO 1.03 0.41 0.00 -0.25 -0.21 0.00 0.00 178.00 178.99 3ip4 n ASP 274 N -3.94 0.44 -4.13 -2.05 8.00 -1.26 -4.54 116.55 109.07 3ip4 n ASP 274 Ca -0.02 0.60 -0.33 0.00 0.71 0.00 0.00 54.79 55.75 3ip4 n ASP 274 Cb 0.45 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.70 3ip4 n ASP 274 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ip4 s ILE 275 N -3.18 2.21 0.69 0.53 1.01 -1.21 -4.76 121.20 116.49 3ip4 s ILE 275 Ca 0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 3ip4 s ILE 275 Cb 0.10 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3ip4 s ILE 275 CO 0.39 0.42 1.14 0.68 0.00 0.00 0.00 174.94 177.57 3ip4 s VAL 276 N 1.28 2.92 0.77 2.92 -7.23 -1.26 -4.77 120.40 115.02 3ip4 s VAL 276 Ca 0.03 0.43 -0.15 0.00 -1.81 0.00 0.00 61.98 60.48 3ip4 s VAL 276 Cb -0.14 -2.95 0.04 0.00 0.56 0.00 0.00 36.38 33.89 3ip4 s VAL 276 CO -0.11 -0.26 1.05 -2.65 -0.31 0.00 0.00 175.10 172.82 3ip4 n PRO 277 N -2.58 0.32 -3.66 4.82 -0.02 -1.26 -4.89 135.00 127.72 3ip4 n PRO 277 Ca 0.11 0.17 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 3ip4 n PRO 277 Cb 0.51 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 3ip4 n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ip4 s LEU 278 N -4.19 4.30 -0.39 2.45 1.02 0.36 -4.98 118.68 117.25 3ip4 s LEU 278 Ca 0.73 0.48 0.03 0.00 0.02 0.00 0.00 54.13 55.39 3ip4 s LEU 278 Cb -0.31 -2.25 0.11 0.00 0.02 0.00 0.00 46.19 43.75 3ip4 s LEU 278 CO 0.51 0.22 0.13 -0.47 0.02 0.00 0.00 176.35 176.76 3ip4 s TYR 279 N -0.10 3.14 -0.68 0.29 5.04 -1.26 -1.39 117.35 122.40 3ip4 s TYR 279 Ca 0.15 -2.81 -0.22 0.00 -2.44 0.00 0.00 57.07 51.75 3ip4 s TYR 279 Cb -0.13 -2.62 0.07 0.00 0.35 0.00 0.00 41.96 39.64 3ip4 s TYR 279 CO 0.03 -0.87 0.98 0.42 -1.34 0.00 0.00 175.55 174.77 3ip4 s ILE 280 N 0.66 4.35 0.91 3.14 1.01 0.18 -5.02 121.20 126.42 3ip4 s ILE 280 Ca 0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 3ip4 s ILE 280 Cb -0.21 -4.69 0.15 0.00 0.01 0.00 0.00 42.46 37.71 3ip4 s ILE 280 CO -0.08 -1.46 1.21 1.51 0.00 0.00 0.00 174.94 176.12 3ip4 s ASP 281 N 3.69 3.56 0.10 3.58 -4.77 -1.26 -4.51 116.67 117.06 3ip4 s ASP 281 Ca 0.23 0.64 -0.27 0.00 -3.30 0.00 0.00 52.55 49.84 3ip4 s ASP 281 Cb -0.16 -0.98 -0.13 0.00 -1.09 0.00 0.00 42.92 40.56 3ip4 s ASP 281 CO 0.09 -2.48 1.66 0.44 0.70 0.00 0.00 175.17 175.58 3ip4 h ASP 282 N -1.46 -0.54 -1.00 2.11 3.32 -1.99 -2.08 116.42 114.78 3ip4 h ASP 282 Ca -0.46 0.05 0.16 0.00 0.02 0.00 0.00 57.03 56.79 3ip4 h ASP 282 Cb 1.30 0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.93 3ip4 h ASP 282 CO 0.54 -0.31 0.62 0.00 -1.72 0.00 0.00 179.24 178.37 3ip4 h ALA 283 N 0.25 1.62 0.23 3.45 0.00 -1.98 0.29 119.26 123.11 3ip4 h ALA 283 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ip4 h ALA 283 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ip4 h ALA 283 CO -0.03 0.07 -0.11 2.35 0.00 0.00 0.00 179.25 181.54 3ip4 h TRP 284 N 0.87 -0.29 -0.90 0.00 2.91 -1.89 -0.35 115.95 116.31 3ip4 h TRP 284 Ca 0.54 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.58 3ip4 h TRP 284 Cb 0.71 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.40 3ip4 h TRP 284 CO -0.00 0.01 0.58 0.87 -1.03 0.00 0.00 178.44 178.87 3ip4 h LYS 285 N -0.58 1.11 -0.64 2.65 1.57 -0.66 -1.52 116.57 118.52 3ip4 h LYS 285 Ca -0.03 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3ip4 h LYS 285 Cb 0.42 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3ip4 h LYS 285 CO 0.05 0.74 0.08 1.49 -0.57 0.00 0.00 179.45 181.24 3ip4 h GLU 286 N 1.14 1.06 -0.28 3.15 4.57 -0.39 0.16 114.58 123.99 3ip4 h GLU 286 Ca 0.35 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3ip4 h GLU 286 Cb -0.03 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 3ip4 h GLU 286 CO -0.11 0.98 0.18 -0.09 -1.18 0.00 0.00 179.01 178.79 3ip4 h ARG 287 N 0.99 0.38 -0.22 1.92 2.43 -0.39 -2.29 114.38 117.20 3ip4 h ARG 287 Ca 0.19 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3ip4 h ARG 287 Cb 0.46 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3ip4 h ARG 287 CO 0.02 0.27 -0.39 0.28 -1.51 0.00 0.00 179.97 178.64 3ip4 h VAL 288 N 0.37 1.32 -0.76 0.20 2.07 -1.07 -3.15 116.25 115.24 3ip4 h VAL 288 Ca 0.10 -1.60 0.14 0.00 0.82 0.00 0.00 66.70 66.16 3ip4 h VAL 288 Cb -0.02 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 3ip4 h VAL 288 CO -0.02 0.50 0.50 -0.09 0.02 0.00 0.00 177.57 178.48 3ip4 h ARG 289 N 0.34 0.46 0.00 1.57 2.43 -0.54 0.11 114.38 118.75 3ip4 h ARG 289 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ip4 h ARG 289 Cb 0.98 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3ip4 h ARG 289 CO 0.09 0.30 0.00 1.04 -1.51 0.00 0.00 179.97 179.89 3ip4 n GLN 290 N -4.49 0.22 -0.09 0.20 1.13 -0.87 -2.36 117.38 111.12 3ip4 n GLN 290 Ca 0.14 0.14 0.12 0.00 -1.94 0.00 0.00 57.00 55.46 3ip4 n GLN 290 Cb 0.49 -1.50 0.21 0.00 0.11 0.00 0.00 30.24 29.54 3ip4 n GLN 290 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3ip4 n THR 291 N -1.30 0.25 -3.27 5.09 -2.24 0.37 -4.89 114.28 108.28 3ip4 n THR 291 Ca 0.07 -0.58 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 3ip4 n THR 291 Cb 0.13 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 3ip4 n THR 291 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ip4 s ILE 292 N -1.75 5.10 0.84 2.28 1.01 -0.99 -5.04 121.20 122.63 3ip4 s ILE 292 Ca 0.34 0.84 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 3ip4 s ILE 292 Cb 0.21 -3.80 0.13 0.00 0.01 0.00 0.00 42.46 39.01 3ip4 s ILE 292 CO 0.31 0.12 1.18 -2.16 0.00 0.00 0.00 174.94 174.38 3ip4 s PRO 293 N 2.12 1.44 0.14 2.79 0.04 -1.26 -4.96 135.00 135.31 3ip4 s PRO 293 Ca 0.21 -0.34 -0.33 0.00 0.04 0.00 0.00 61.00 60.57 3ip4 s PRO 293 Cb -0.16 -2.01 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 3ip4 s PRO 293 CO 0.09 -1.83 1.71 0.39 0.04 0.00 0.00 177.00 177.41 3ip4 n GLU 294 N -3.35 2.49 -2.44 4.56 1.02 -1.26 -4.97 120.64 116.70 3ip4 n GLU 294 Ca 0.12 0.90 -0.24 0.00 -0.02 0.00 0.00 57.16 57.92 3ip4 n GLU 294 Cb 0.60 -2.73 0.05 0.00 -0.02 0.00 0.00 31.44 29.34 3ip4 n GLU 294 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ip4 s LEU 295 N 1.71 3.08 0.09 -4.62 1.43 -1.26 -4.88 118.68 114.24 3ip4 s LEU 295 Ca 0.80 0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 53.96 3ip4 s LEU 295 Cb -0.58 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 3ip4 s LEU 295 CO 0.37 -1.33 1.33 -0.65 0.23 0.00 0.00 176.35 176.31 3ip4 h PRO 296 N -0.23 -0.06 -0.74 1.29 0.11 -1.91 -2.29 132.00 128.17 3ip4 h PRO 296 Ca -0.43 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.84 3ip4 h PRO 296 Cb 1.30 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.30 3ip4 h PRO 296 CO 0.57 -0.04 0.00 -0.44 -0.21 0.00 0.00 178.00 177.88 3ip4 h ASP 297 N -0.06 -0.34 -0.35 -2.05 5.19 -1.95 -0.70 116.42 116.14 3ip4 h ASP 297 Ca 0.09 0.19 -0.09 0.00 -0.62 0.00 0.00 57.03 56.59 3ip4 h ASP 297 Cb 0.28 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 3ip4 h ASP 297 CO -0.53 -0.17 -0.10 -0.33 -3.12 0.00 0.00 179.24 174.99 3ip4 h GLU 298 N 0.10 0.79 -0.02 3.56 3.07 -1.87 -2.67 114.58 117.54 3ip4 h GLU 298 Ca 0.40 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3ip4 h GLU 298 Cb 0.70 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3ip4 h GLU 298 CO -0.65 0.86 -0.02 0.00 -1.40 0.00 0.00 179.01 177.81 3ip4 h ARG 299 N 0.72 0.06 -0.08 2.33 3.08 -0.63 -3.06 114.38 116.79 3ip4 h ARG 299 Ca 0.12 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ip4 h ARG 299 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 3ip4 h ARG 299 CO 0.04 0.50 -0.05 1.57 -1.07 0.00 0.00 179.97 180.95 3ip4 h LYS 300 N -0.39 0.11 -0.81 0.04 2.10 -1.21 -1.08 116.57 115.33 3ip4 h LYS 300 Ca 0.00 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 3ip4 h LYS 300 Cb 0.49 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.76 3ip4 h LYS 300 CO 0.00 0.18 0.48 0.00 -2.00 0.00 0.00 179.45 178.12 3ip4 h ALA 301 N 1.84 1.03 -0.26 0.07 0.00 -1.44 -1.38 119.26 119.12 3ip4 h ALA 301 Ca 0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3ip4 h ALA 301 Cb 0.17 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ip4 h ALA 301 CO 0.01 0.50 -0.35 0.87 0.00 0.00 0.00 179.25 180.27 3ip4 h LYS 302 N 1.11 0.69 -0.25 0.00 1.57 -1.21 -0.38 116.57 118.11 3ip4 h LYS 302 Ca 0.29 -0.40 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3ip4 h LYS 302 Cb -0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3ip4 h LYS 302 CO -0.05 1.02 0.18 1.88 -0.57 0.00 0.00 179.45 181.90 3ip4 h TYR 303 N 0.42 0.08 0.00 -1.35 -1.99 -0.83 0.47 116.97 113.77 3ip4 h TYR 303 Ca 0.03 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.64 3ip4 h TYR 303 Cb 0.94 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.62 3ip4 h TYR 303 CO 0.08 0.05 -0.79 0.28 -0.00 0.00 0.00 178.16 177.78 3ip4 h VAL 304 N 0.09 0.78 0.00 -2.88 2.07 -1.13 -0.01 116.25 115.16 3ip4 h VAL 304 Ca 0.12 -1.85 -0.15 0.00 0.82 0.00 0.00 66.70 65.64 3ip4 h VAL 304 Cb 0.36 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3ip4 h VAL 304 CO -0.01 0.27 -0.70 0.78 0.02 0.00 0.00 177.57 177.93 3ip4 h ASN 305 N -1.00 0.00 0.00 0.57 2.35 -1.00 -2.30 115.58 114.20 3ip4 h ASN 305 Ca -0.19 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.16 3ip4 h ASN 305 Cb 0.98 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.28 3ip4 h ASN 305 CO -0.11 0.70 -2.42 -0.62 -1.65 0.00 0.00 177.43 173.32 3ip4 n GLU 306 N -3.41 0.58 0.02 0.81 1.02 0.16 -4.54 120.64 115.28 3ip4 n GLU 306 Ca 0.00 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 3ip4 n GLU 306 Cb 0.76 -1.45 0.25 0.00 -0.02 0.00 0.00 31.44 30.98 3ip4 n GLU 306 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ip4 n LEU 307 N -3.72 0.54 -0.12 -4.62 4.77 -0.85 -4.94 117.00 108.06 3ip4 n LEU 307 Ca -0.47 0.13 -0.02 0.00 -0.03 0.00 0.00 56.01 55.62 3ip4 n LEU 307 Cb 0.91 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 3ip4 n LEU 307 CO 0.13 0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 176.83 3ip4 n GLY 308 N 1.44 0.41 3.77 -0.72 0.00 -0.87 -4.95 105.19 104.27 3ip4 n GLY 308 Ca 0.05 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3ip4 n GLY 308 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ip4 s LEU 309 N -0.35 3.61 0.67 0.99 1.43 -0.05 -4.94 118.68 120.03 3ip4 s LEU 309 Ca 0.00 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 3ip4 s LEU 309 Cb 0.00 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.65 3ip4 s LEU 309 CO 0.00 -1.40 1.22 -2.84 0.23 0.00 0.00 176.35 173.55 3ip4 s PRO 310 N -3.59 2.52 0.42 1.29 0.02 -1.26 -4.25 135.00 130.14 3ip4 s PRO 310 Ca 0.71 1.81 0.13 0.00 0.02 0.00 0.00 61.00 63.67 3ip4 s PRO 310 Cb -0.23 -1.87 0.99 0.00 0.02 0.00 0.00 34.50 33.41 3ip4 s PRO 310 CO 0.33 -1.56 1.95 0.00 -0.33 0.00 0.00 177.00 177.39 3ip4 h ALA 311 N 0.25 2.00 0.31 -1.55 0.00 -1.96 -1.30 119.26 117.02 3ip4 h ALA 311 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3ip4 h ALA 311 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ip4 h ALA 311 CO 0.52 -0.17 -0.15 -0.92 0.00 0.00 0.00 179.25 178.54 3ip4 h TYR 312 N 0.47 -0.39 -0.06 0.00 3.20 -2.00 -1.81 116.97 116.38 3ip4 h TYR 312 Ca 0.32 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.21 3ip4 h TYR 312 Cb 0.63 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3ip4 h TYR 312 CO -0.00 -0.21 -0.13 -0.44 -1.64 0.00 0.00 178.16 175.73 3ip4 h ASP 313 N -0.46 -0.40 -0.87 -2.11 5.19 -1.66 -1.90 116.42 114.21 3ip4 h ASP 313 Ca -0.04 0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.55 3ip4 h ASP 313 Cb 0.35 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 39.98 3ip4 h ASP 313 CO 0.07 -0.18 0.56 0.00 -3.12 0.00 0.00 179.24 176.57 3ip4 h ALA 314 N 0.81 1.75 -0.03 3.45 0.00 -1.20 -1.29 119.26 122.75 3ip4 h ALA 314 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ip4 h ALA 314 Cb 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ip4 h ALA 314 CO -0.17 0.05 -0.03 1.25 0.00 0.00 0.00 179.25 180.34 3ip4 h HIS 315 N 0.77 0.09 -0.46 0.00 -0.00 -0.79 -3.02 115.15 111.73 3ip4 h HIS 315 Ca 0.42 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.72 3ip4 h HIS 315 Cb 0.55 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 3ip4 h HIS 315 CO -0.00 0.55 0.14 0.28 -0.00 0.00 0.00 177.93 178.90 3ip4 h VAL 316 N -0.39 1.22 0.00 5.26 2.07 -1.02 -2.95 116.25 120.45 3ip4 h VAL 316 Ca 0.00 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3ip4 h VAL 316 Cb 0.53 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3ip4 h VAL 316 CO 0.01 0.27 -0.04 -0.07 0.02 0.00 0.00 177.57 177.76 3ip4 h LEU 317 N 0.61 0.00 -2.92 2.57 4.07 -1.34 -2.84 115.31 115.46 3ip4 h LEU 317 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3ip4 h LEU 317 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3ip4 h LEU 317 CO -0.00 0.04 0.00 0.35 -1.08 0.00 0.00 178.44 177.74 3ip4 n THR 318 N -3.25 1.26 -0.02 0.22 -2.24 -1.12 -2.17 114.28 106.95 3ip4 n THR 318 Ca -0.01 -1.11 0.02 0.00 -2.27 0.00 0.00 64.05 60.68 3ip4 n THR 318 Cb 0.21 0.37 0.36 0.00 -2.10 0.00 0.00 70.33 69.17 3ip4 n THR 318 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ip4 h LEU 319 N 3.06 0.52 -8.42 3.22 5.85 -1.38 -3.43 115.31 114.74 3ip4 h LEU 319 Ca 0.00 -0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.39 3ip4 h LEU 319 Cb 1.00 -0.13 -0.17 0.00 0.37 0.00 0.00 40.66 41.72 3ip4 h LEU 319 CO 0.06 0.46 -0.72 0.42 -0.34 0.00 0.00 178.44 178.32 3ip4 s THR 320 N -5.34 0.83 0.21 1.05 -4.23 -1.26 -4.61 115.64 102.28 3ip4 s THR 320 Ca -0.08 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 3ip4 s THR 320 Cb 0.17 -1.37 -0.00 0.00 1.34 0.00 0.00 72.50 72.64 3ip4 s THR 320 CO 0.75 -0.63 1.58 0.50 -0.54 0.00 0.00 174.62 176.28 3ip4 h LYS 321 N 3.49 0.69 -0.34 3.99 3.64 -1.88 -2.66 116.57 123.50 3ip4 h LYS 321 Ca -0.36 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 58.65 3ip4 h LYS 321 Cb 1.18 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3ip4 h LYS 321 CO 0.55 0.94 0.08 0.93 -2.27 0.00 0.00 179.45 179.68 3ip4 h GLU 322 N 0.57 0.54 -0.30 1.90 3.07 -1.96 0.88 114.58 119.29 3ip4 h GLU 322 Ca 0.06 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3ip4 h GLU 322 Cb 0.88 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 3ip4 h GLU 322 CO 0.08 0.60 0.18 1.98 -1.40 0.00 0.00 179.01 180.45 3ip4 h MET 323 N 0.39 0.36 -0.31 2.33 4.05 -1.83 0.54 114.93 120.46 3ip4 h MET 323 Ca 0.11 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3ip4 h MET 323 Cb 0.30 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 3ip4 h MET 323 CO 0.00 0.24 0.17 1.03 0.23 0.00 0.00 176.91 178.58 3ip4 h SER 324 N 0.38 0.40 -0.59 1.39 0.87 -1.07 -0.66 113.55 114.27 3ip4 h SER 324 Ca 0.11 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3ip4 h SER 324 Cb -0.02 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3ip4 h SER 324 CO -0.04 0.38 0.34 0.44 -0.53 0.00 0.00 176.83 177.42 3ip4 h ASP 325 N 0.38 0.73 -0.46 6.23 3.32 -0.54 -1.45 116.42 124.63 3ip4 h ASP 325 Ca 0.11 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3ip4 h ASP 325 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3ip4 h ASP 325 CO -0.02 0.59 0.23 0.15 -1.72 0.00 0.00 179.24 178.48 3ip4 h PHE 326 N 0.80 0.65 -0.06 4.55 3.04 -0.68 0.03 116.94 125.26 3ip4 h PHE 326 Ca 0.21 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.15 3ip4 h PHE 326 Cb 0.01 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 3ip4 h PHE 326 CO -0.02 0.51 -0.04 0.35 -2.02 0.00 0.00 178.31 177.10 3ip4 h PHE 327 N 0.60 -0.09 -0.69 0.41 3.57 -0.84 -0.05 116.94 119.86 3ip4 h PHE 327 Ca 0.16 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3ip4 h PHE 327 Cb 0.10 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3ip4 h PHE 327 CO -0.01 -0.06 0.27 0.93 -2.23 0.00 0.00 178.31 177.20 3ip4 h GLU 328 N -0.04 1.02 -0.03 1.11 5.08 -1.08 -1.87 114.58 118.77 3ip4 h GLU 328 Ca 0.04 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3ip4 h GLU 328 Cb 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3ip4 h GLU 328 CO -0.08 0.84 -0.52 1.03 -1.00 0.00 0.00 179.01 179.27 3ip4 h SER 329 N 1.00 0.08 -0.03 1.42 0.87 -0.66 -2.86 113.55 113.36 3ip4 h SER 329 Ca 0.23 -0.04 -0.20 0.00 -1.23 0.00 0.00 61.79 60.56 3ip4 h SER 329 Cb 0.20 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3ip4 h SER 329 CO -0.02 0.59 -0.74 0.74 -0.53 0.00 0.00 176.83 176.86 3ip4 h THR 330 N 0.05 1.36 0.00 2.23 2.02 -0.54 -3.12 112.91 114.91 3ip4 h THR 330 Ca -0.00 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 65.10 3ip4 h THR 330 Cb 0.95 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 3ip4 h THR 330 CO 0.07 0.63 0.00 0.16 0.37 0.00 0.00 175.52 176.75 3ip4 h ILE 331 N 0.15 0.00 0.00 3.11 3.07 -1.38 -1.62 117.51 120.85 3ip4 h ILE 331 Ca -0.08 -0.41 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3ip4 h ILE 331 Cb 1.42 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 3ip4 h ILE 331 CO 0.15 0.00 -0.20 1.05 -1.05 0.00 0.00 178.15 178.10 3ip4 h GLU 332 N 0.00 0.00 -0.17 0.16 4.11 -1.49 -3.01 114.58 114.19 3ip4 h GLU 332 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ip4 h GLU 332 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3ip4 h GLU 332 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 3ip4 n HIS 333 N -2.54 0.22 -0.25 2.06 8.25 -0.61 -4.87 115.22 117.47 3ip4 n HIS 333 Ca 0.04 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3ip4 n HIS 333 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3ip4 n HIS 333 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ip4 n GLY 334 N 0.88 0.65 3.75 -1.41 0.00 -1.14 -4.96 105.19 102.97 3ip4 n GLY 334 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3ip4 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ip4 s ALA 335 N -2.45 3.40 0.09 4.61 0.00 -1.19 -4.95 121.76 121.26 3ip4 s ALA 335 Ca 0.00 0.87 -0.35 0.00 0.00 0.00 0.00 51.96 52.48 3ip4 s ALA 335 Cb 0.00 -3.34 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 3ip4 s ALA 335 CO 0.00 -0.19 1.58 -3.47 0.00 0.00 0.00 175.76 173.68 3ip4 n ASP 336 N 1.77 2.78 0.07 0.00 2.03 -1.26 -4.47 116.55 117.47 3ip4 n ASP 336 Ca 0.01 1.07 -0.12 0.00 0.52 0.00 0.00 54.79 56.28 3ip4 n ASP 336 Cb 0.45 -1.35 -0.05 0.00 -0.72 0.00 0.00 41.12 39.45 3ip4 n ASP 336 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3ip4 h VAL 337 N 3.89 0.39 -0.53 5.18 2.07 -1.92 -0.19 116.25 125.15 3ip4 h VAL 337 Ca -0.46 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3ip4 h VAL 337 Cb 1.28 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3ip4 h VAL 337 CO 0.88 0.00 0.35 0.50 0.02 0.00 0.00 177.57 179.31 3ip4 h LYS 338 N -0.43 0.69 -0.50 1.57 3.11 -1.95 -0.53 116.57 118.53 3ip4 h LYS 338 Ca 0.06 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 3ip4 h LYS 338 Cb 0.50 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 3ip4 h LYS 338 CO -0.22 0.46 0.06 -0.07 -2.81 0.00 0.00 179.45 176.87 3ip4 h LEU 339 N 0.71 0.82 -0.52 5.20 4.07 -1.91 -1.40 115.31 122.29 3ip4 h LEU 339 Ca 0.19 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 3ip4 h LEU 339 Cb -0.08 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.42 3ip4 h LEU 339 CO -0.05 0.89 0.29 0.74 -1.08 0.00 0.00 178.44 179.24 3ip4 h THR 340 N 0.72 1.17 -0.43 0.22 2.02 -0.78 -1.03 112.91 114.80 3ip4 h THR 340 Ca 0.15 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.94 3ip4 h THR 340 Cb 0.43 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3ip4 h THR 340 CO 0.01 0.18 0.25 -1.28 0.37 0.00 0.00 175.52 175.05 3ip4 h SER 341 N 0.69 0.41 -0.26 4.18 0.87 -0.89 -1.52 113.55 117.01 3ip4 h SER 341 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3ip4 h SER 341 Cb 0.03 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3ip4 h SER 341 CO -0.03 0.29 0.16 0.78 -0.53 0.00 0.00 176.83 177.50 3ip4 h ASN 342 N 0.51 0.31 -0.59 6.23 2.35 -0.83 -1.23 115.58 122.33 3ip4 h ASN 342 Ca 0.17 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3ip4 h ASN 342 Cb 0.02 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3ip4 h ASN 342 CO -0.08 0.25 0.13 -0.50 -1.65 0.00 0.00 177.43 175.58 3ip4 h TRP 343 N 0.34 1.04 -0.17 1.19 4.06 -1.00 0.32 115.95 121.73 3ip4 h TRP 343 Ca 0.09 -0.12 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 3ip4 h TRP 343 Cb -0.01 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 27.85 3ip4 h TRP 343 CO -0.05 0.87 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.59 3ip4 h LEU 344 N 0.94 0.33 -1.04 -4.49 4.07 -1.12 0.28 115.31 114.28 3ip4 h LEU 344 Ca 0.20 -0.36 -0.08 0.00 0.08 0.00 0.00 57.88 57.71 3ip4 h LEU 344 Cb 0.37 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3ip4 h LEU 344 CO 0.00 0.62 -0.20 0.24 -1.08 0.00 0.00 178.44 178.02 3ip4 h MET 345 N 0.04 0.45 0.00 1.13 2.86 -1.11 -2.22 114.93 116.08 3ip4 h MET 345 Ca 0.04 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3ip4 h MET 345 Cb 0.47 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3ip4 h MET 345 CO 0.02 0.63 0.00 0.41 1.06 0.00 0.00 176.91 179.03 3ip4 n GLY 346 N -0.52 -0.08 0.34 8.32 0.00 0.09 -4.50 105.19 108.85 3ip4 n GLY 346 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ip4 n GLY 346 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ip4 h GLY 347 N 0.00 0.26 0.91 -0.02 0.00 -1.64 0.20 103.07 102.78 3ip4 h GLY 347 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 3ip4 h GLY 347 CO 0.00 -0.26 -0.41 -2.08 0.00 0.00 0.00 176.54 173.80 3ip4 h VAL 348 N -0.05 0.08 -0.96 4.60 2.07 -0.60 0.04 116.25 121.43 3ip4 h VAL 348 Ca 0.34 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.85 3ip4 h VAL 348 Cb 0.60 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 3ip4 h VAL 348 CO -0.85 0.00 0.59 0.78 0.02 0.00 0.00 177.57 178.11 3ip4 h ASN 349 N -1.24 0.87 -0.64 0.57 2.35 -1.10 0.48 115.58 116.87 3ip4 h ASN 349 Ca -0.12 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3ip4 h ASN 349 Cb 0.88 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 3ip4 h ASN 349 CO 0.19 0.49 0.41 -0.33 -1.65 0.00 0.00 177.43 176.53 3ip4 h GLU 350 N 0.96 0.86 -0.48 0.81 5.08 -0.49 -1.01 114.58 120.32 3ip4 h GLU 350 Ca 0.46 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.70 3ip4 h GLU 350 Cb 0.41 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3ip4 h GLU 350 CO -0.25 0.60 0.07 -0.92 -1.00 0.00 0.00 179.01 177.51 3ip4 h TYR 351 N 0.87 0.86 -0.67 4.33 5.03 0.45 -1.67 116.97 126.17 3ip4 h TYR 351 Ca 0.23 -0.12 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 3ip4 h TYR 351 Cb -0.06 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 37.96 3ip4 h TYR 351 CO -0.02 0.79 0.41 -0.07 -1.32 0.00 0.00 178.16 177.95 3ip4 h LEU 352 N 0.67 0.80 -0.36 2.82 4.07 -0.62 -2.18 115.31 120.52 3ip4 h LEU 352 Ca 0.14 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.95 3ip4 h LEU 352 Cb 0.41 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 3ip4 h LEU 352 CO 0.01 0.63 -0.14 0.78 -1.08 0.00 0.00 178.44 178.63 3ip4 h ASN 353 N 0.91 0.74 -0.14 -0.43 2.35 -1.08 -0.37 115.58 117.56 3ip4 h ASN 353 Ca 0.24 -0.39 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 3ip4 h ASN 353 Cb -0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3ip4 h ASN 353 CO -0.05 0.97 0.01 0.50 -1.65 0.00 0.00 177.43 177.21 3ip4 h LYS 354 N 0.51 0.34 -0.39 0.81 3.64 -1.15 -2.64 116.57 117.68 3ip4 h LYS 354 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3ip4 h LYS 354 Cb 0.68 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3ip4 h LYS 354 CO 0.05 0.36 0.00 0.09 -2.27 0.00 0.00 179.45 177.68 3ip4 n ASN 355 N -4.36 3.13 -3.96 4.20 3.02 -0.83 -4.98 115.26 111.48 3ip4 n ASN 355 Ca 0.00 -1.92 -0.38 0.00 -0.03 0.00 0.00 54.58 52.25 3ip4 n ASN 355 Cb 0.19 -0.26 0.01 0.00 -0.61 0.00 0.00 39.78 39.12 3ip4 n ASN 355 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ip4 n GLN 356 N 1.00 -0.74 -3.83 3.52 1.13 -0.23 -4.94 117.38 113.28 3ip4 n GLN 356 Ca 0.15 0.34 -0.12 0.00 -1.94 0.00 0.00 57.00 55.43 3ip4 n GLN 356 Cb 0.49 -2.44 -0.12 0.00 0.11 0.00 0.00 30.24 28.27 3ip4 n GLN 356 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3ip4 s VAL 357 N -3.32 0.01 0.41 5.09 0.11 -0.69 -5.05 120.40 116.95 3ip4 s VAL 357 Ca 0.31 -0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 59.13 3ip4 s VAL 357 Cb -0.17 -0.22 -0.10 0.00 -1.53 0.00 0.00 36.38 34.36 3ip4 s VAL 357 CO 0.94 -0.03 0.88 -1.61 -3.33 0.00 0.00 175.10 171.95 3ip4 s GLU 358 N -0.02 4.10 0.18 1.54 2.02 -1.26 -4.61 118.70 120.65 3ip4 s GLU 358 Ca -0.01 0.93 -0.20 0.00 0.02 0.00 0.00 54.97 55.70 3ip4 s GLU 358 Cb -0.01 -2.26 0.12 0.00 0.10 0.00 0.00 34.13 32.07 3ip4 s GLU 358 CO 0.00 -0.00 1.60 1.25 0.02 0.00 0.00 175.26 178.13 3ip4 h LEU 359 N 1.87 -1.03 0.00 1.80 5.85 -1.98 -0.10 115.31 121.71 3ip4 h LEU 359 Ca -0.48 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3ip4 h LEU 359 Cb 1.18 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3ip4 h LEU 359 CO 0.63 -0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 3ip4 n LEU 360 N -5.43 0.00 -0.86 2.25 4.77 -1.26 -1.99 117.00 114.48 3ip4 n LEU 360 Ca 0.04 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.49 3ip4 n LEU 360 Cb 0.34 -0.35 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 3ip4 n LEU 360 CO 0.04 -0.18 0.73 0.47 -1.33 0.00 0.00 177.39 177.12 3ip4 n ASP 361 N -1.35 2.61 -2.93 -1.43 8.00 -0.05 -4.90 116.55 116.49 3ip4 n ASP 361 Ca 0.06 -1.86 -0.07 0.00 0.71 0.00 0.00 54.79 53.63 3ip4 n ASP 361 Cb 0.14 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3ip4 n ASP 361 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ip4 n THR 362 N 0.97 0.00 0.24 -3.53 -2.24 -0.84 -4.93 114.28 103.95 3ip4 n THR 362 Ca 0.17 -0.60 0.09 0.00 -2.27 0.00 0.00 64.05 61.45 3ip4 n THR 362 Cb 0.50 -0.99 0.17 0.00 -2.10 0.00 0.00 70.33 67.90 3ip4 n THR 362 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ip4 n LYS 363 N -1.51 2.19 -2.40 -0.78 4.76 -0.38 -4.96 118.16 115.09 3ip4 n LYS 363 Ca 0.06 -2.02 -0.39 0.00 -2.87 0.00 0.00 58.31 53.08 3ip4 n LYS 363 Cb 0.20 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 31.95 3ip4 n LYS 363 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3ip4 s LEU 364 N -1.28 4.38 0.07 -0.35 2.96 -1.25 -4.38 118.68 118.83 3ip4 s LEU 364 Ca 0.30 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.52 3ip4 s LEU 364 Cb 0.18 -3.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3ip4 s LEU 364 CO 0.25 -0.37 -0.06 0.42 -1.32 0.00 0.00 176.35 175.27 3ip4 s THR 365 N -1.31 0.53 0.53 3.68 -4.23 -1.26 -4.97 115.64 108.62 3ip4 s THR 365 Ca 0.50 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.55 3ip4 s THR 365 Cb -0.31 -1.39 0.38 0.00 1.34 0.00 0.00 72.50 72.52 3ip4 s THR 365 CO 0.39 -0.80 2.01 -0.65 -0.54 0.00 0.00 174.62 175.03 3ip4 h PRO 366 N 3.35 0.00 0.45 3.99 0.11 -1.91 -0.69 132.00 137.30 3ip4 h PRO 366 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3ip4 h PRO 366 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ip4 h PRO 366 CO 0.60 0.00 -0.22 1.49 -0.21 0.00 0.00 178.00 179.66 3ip4 h GLU 367 N 0.00 -0.59 0.00 1.05 4.81 -1.94 -2.15 114.58 115.76 3ip4 h GLU 367 Ca 0.22 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3ip4 h GLU 367 Cb 0.91 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 3ip4 h GLU 367 CO -0.00 -0.39 -0.10 -2.95 -0.73 0.00 0.00 179.01 174.84 3ip4 h ASN 368 N -1.11 0.00 0.03 1.04 7.08 -1.80 -0.89 115.58 119.93 3ip4 h ASN 368 Ca -0.06 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.97 3ip4 h ASN 368 Cb 0.47 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.72 3ip4 h ASN 368 CO 0.10 0.10 -0.74 0.25 -2.08 0.00 0.00 177.43 175.06 3ip4 h LEU 369 N 0.00 0.60 -1.26 6.14 5.85 -1.21 -2.56 115.31 122.87 3ip4 h LEU 369 Ca -0.00 -0.79 -0.05 0.00 0.84 0.00 0.00 57.88 57.88 3ip4 h LEU 369 Cb 0.38 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3ip4 h LEU 369 CO 0.01 1.32 -0.00 0.00 -0.34 0.00 0.00 178.44 179.43 3ip4 h ALA 370 N 0.29 1.40 -0.21 1.25 0.00 -1.05 -1.52 119.26 119.43 3ip4 h ALA 370 Ca -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ip4 h ALA 370 Cb 1.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3ip4 h ALA 370 CO 0.15 0.42 0.12 0.78 0.00 0.00 0.00 179.25 180.72 3ip4 h GLY 371 N 0.81 0.30 0.96 0.00 0.00 -1.14 -1.43 103.07 102.57 3ip4 h GLY 371 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ip4 h GLY 371 CO 0.01 0.12 0.15 1.98 0.00 0.00 0.00 176.54 178.81 3ip4 h MET 372 N 0.24 0.38 -0.83 4.80 -1.53 -1.02 -2.75 114.93 114.23 3ip4 h MET 372 Ca 0.07 -0.04 0.07 0.00 -3.44 0.00 0.00 59.70 56.36 3ip4 h MET 372 Cb 0.04 -0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 30.96 3ip4 h MET 372 CO -0.01 0.33 0.54 0.82 0.14 0.00 0.00 176.91 178.73 3ip4 h ILE 373 N 0.33 1.04 -0.54 1.77 2.04 -1.10 -1.66 117.51 119.40 3ip4 h ILE 373 Ca 0.10 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3ip4 h ILE 373 Cb 0.06 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 3ip4 h ILE 373 CO -0.02 0.17 0.09 0.11 0.00 0.00 0.00 178.15 178.50 3ip4 h LYS 374 N 0.91 0.85 0.00 2.37 1.57 -0.97 -0.12 116.57 121.17 3ip4 h LYS 374 Ca 0.36 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3ip4 h LYS 374 Cb 0.24 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3ip4 h LYS 374 CO -0.13 0.79 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.10 3ip4 h LEU 375 N 0.81 0.00 0.00 2.94 4.07 -1.13 -1.45 115.31 120.55 3ip4 h LEU 375 Ca 0.17 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.93 3ip4 h LEU 375 Cb 0.35 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3ip4 h LEU 375 CO 0.01 0.37 -0.98 0.40 -1.08 0.00 0.00 178.44 177.15 3ip4 h ILE 376 N 0.00 1.47 -0.31 1.22 2.04 -1.03 0.13 117.51 121.03 3ip4 h ILE 376 Ca -0.00 -3.13 -0.17 0.00 1.00 0.00 0.00 64.86 62.56 3ip4 h ILE 376 Cb 0.67 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3ip4 h ILE 376 CO 0.05 0.84 -0.46 -0.08 0.00 0.00 0.00 178.15 178.50 3ip4 h GLU 377 N 0.00 0.86 0.00 2.37 4.81 -0.44 -3.15 114.58 119.03 3ip4 h GLU 377 Ca -0.04 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3ip4 h GLU 377 Cb 1.72 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.15 3ip4 h GLU 377 CO 0.11 1.15 -0.25 -0.40 -0.73 0.00 0.00 179.01 178.88 3ip4 n ASP 378 N -4.08 0.35 0.00 1.04 5.68 -0.60 -4.93 116.55 114.01 3ip4 n ASP 378 Ca -0.04 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 3ip4 n ASP 378 Cb 0.58 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3ip4 n ASP 378 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ip4 n GLY 379 N 1.46 0.84 0.16 6.12 0.00 -1.12 -4.97 105.19 107.68 3ip4 n GLY 379 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3ip4 n GLY 379 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ip4 h THR 380 N 0.00 1.40 -3.36 2.61 2.02 -1.09 -3.43 112.91 111.06 3ip4 h THR 380 Ca 0.00 -2.04 -0.57 0.00 0.77 0.00 0.00 66.41 64.58 3ip4 h THR 380 Cb 0.00 2.05 -0.34 0.00 -1.74 0.00 0.00 68.15 68.12 3ip4 h THR 380 CO 0.00 0.60 -0.83 -0.32 0.37 0.00 0.00 175.52 175.33 3ip4 s MET 381 N -3.71 2.12 0.74 6.66 0.00 -0.31 -4.49 119.30 120.30 3ip4 s MET 381 Ca -0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 55.69 55.01 3ip4 s MET 381 Cb 0.12 -1.72 0.05 0.00 0.00 0.00 0.00 34.83 33.28 3ip4 s MET 381 CO 0.80 0.03 1.09 -1.54 0.00 0.00 0.00 175.02 175.40 3ip4 s SER 382 N 0.70 4.91 0.35 1.11 1.04 -1.26 -4.18 113.70 116.37 3ip4 s SER 382 Ca -0.13 0.76 0.09 0.00 0.48 0.00 0.00 55.95 57.15 3ip4 s SER 382 Cb -0.16 -1.42 0.65 0.00 0.10 0.00 0.00 66.02 65.19 3ip4 s SER 382 CO 0.03 -1.61 1.83 0.77 0.98 0.00 0.00 173.24 175.24 3ip4 h SER 383 N -0.76 0.21 -0.43 7.02 4.64 -1.98 0.40 113.55 122.66 3ip4 h SER 383 Ca -0.45 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 60.66 3ip4 h SER 383 Cb 1.30 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3ip4 h SER 383 CO 0.63 0.48 -0.31 0.50 -0.87 0.00 0.00 176.83 177.26 3ip4 h LYS 384 N 0.20 0.97 -0.12 4.77 3.64 -2.00 -2.00 116.57 122.02 3ip4 h LYS 384 Ca 0.03 -0.47 -0.16 0.00 -1.27 0.00 0.00 60.65 58.78 3ip4 h LYS 384 Cb 0.57 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3ip4 h LYS 384 CO 0.04 1.13 -0.60 0.82 -2.27 0.00 0.00 179.45 178.57 3ip4 h ILE 385 N 0.80 1.35 -0.83 2.00 2.04 -1.86 -2.96 117.51 118.05 3ip4 h ILE 385 Ca 0.08 -1.92 0.04 0.00 1.00 0.00 0.00 64.86 64.06 3ip4 h ILE 385 Cb 0.90 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 3ip4 h ILE 385 CO 0.08 0.58 0.55 0.00 0.00 0.00 0.00 178.15 179.36 3ip4 h ALA 386 N 1.04 1.50 0.00 1.87 0.00 -0.69 0.36 119.26 123.33 3ip4 h ALA 386 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ip4 h ALA 386 Cb 1.14 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ip4 h ALA 386 CO 0.10 0.42 0.00 0.87 0.00 0.00 0.00 179.25 180.64 3ip4 h LYS 387 N 1.02 0.00 0.08 0.00 1.57 -1.19 -0.70 116.57 117.35 3ip4 h LYS 387 Ca 0.33 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.74 3ip4 h LYS 387 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3ip4 h LYS 387 CO -0.10 0.00 -2.13 1.63 -0.57 0.00 0.00 179.45 178.28 3ip4 n LYS 388 N -2.98 0.72 -0.03 3.15 5.02 0.00 -4.47 118.16 119.58 3ip4 n LYS 388 Ca -0.02 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.36 3ip4 n LYS 388 Cb 0.15 -1.65 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 3ip4 n LYS 388 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3ip4 h VAL 389 N -0.00 1.49 -0.54 -0.18 2.07 -0.98 -3.34 116.25 114.76 3ip4 h VAL 389 Ca -0.48 -1.83 0.11 0.00 0.82 0.00 0.00 66.70 65.33 3ip4 h VAL 389 Cb 1.96 2.56 -0.11 0.00 -1.52 0.00 0.00 31.29 34.19 3ip4 h VAL 389 CO 0.01 0.51 -0.18 0.15 0.02 0.00 0.00 177.57 178.08 3ip4 h PHE 390 N -0.36 -0.43 -0.66 1.57 3.57 -1.38 -0.39 116.94 118.87 3ip4 h PHE 390 Ca -0.03 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3ip4 h PHE 390 Cb 0.98 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.95 3ip4 h PHE 390 CO 0.16 -0.28 0.44 -1.00 -2.23 0.00 0.00 178.31 175.40 3ip4 h PRO 391 N -0.05 0.77 -0.36 6.41 0.13 -1.78 0.61 132.00 137.71 3ip4 h PRO 391 Ca 0.26 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.25 3ip4 h PRO 391 Cb 0.45 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 3ip4 h PRO 391 CO -0.58 0.51 -0.13 1.49 -0.23 0.00 0.00 178.00 179.05 3ip4 h GLU 392 N 0.79 0.73 -0.55 0.86 4.57 -1.32 -0.62 114.58 119.04 3ip4 h GLU 392 Ca 0.26 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 3ip4 h GLU 392 Cb 0.07 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3ip4 h GLU 392 CO -0.07 0.91 0.13 1.25 -1.18 0.00 0.00 179.01 180.04 3ip4 h LEU 393 N 0.53 0.84 -0.68 1.64 5.85 -0.42 0.12 115.31 123.19 3ip4 h LEU 393 Ca 0.09 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 3ip4 h LEU 393 Cb 0.66 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ip4 h LEU 393 CO 0.04 0.86 -0.37 0.00 -0.34 0.00 0.00 178.44 178.63 3ip4 h ALA 394 N 1.01 0.85 0.16 1.25 0.00 -0.83 0.40 119.26 122.12 3ip4 h ALA 394 Ca 0.17 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.41 3ip4 h ALA 394 Cb 0.35 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ip4 h ALA 394 CO 0.00 0.64 -1.06 0.00 0.00 0.00 0.00 179.25 178.83 3ip4 h ALA 395 N 1.09 -0.09 0.00 0.00 0.00 -0.91 -0.99 119.26 118.35 3ip4 h ALA 395 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ip4 h ALA 395 Cb 0.88 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ip4 h ALA 395 CO 0.08 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.47 3ip4 n LYS 396 N -3.97 1.10 0.00 0.00 5.02 0.42 -4.66 118.16 116.07 3ip4 n LYS 396 Ca -0.15 -0.95 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 3ip4 n LYS 396 Cb 0.92 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3ip4 n LYS 396 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ip4 n GLY 397 N -0.24 0.54 0.00 0.72 0.00 0.14 -4.98 105.19 101.38 3ip4 n GLY 397 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3ip4 n GLY 397 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ip4 n GLY 398 N 0.00 0.93 3.07 -0.02 0.00 -1.26 -4.46 105.19 103.45 3ip4 n GLY 398 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 3ip4 n GLY 398 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ip4 s ASN 399 N -4.00 -0.25 0.17 1.61 2.20 -1.26 -4.76 114.94 108.64 3ip4 s ASN 399 Ca 0.00 0.50 -0.28 0.00 -0.94 0.00 0.00 52.86 52.14 3ip4 s ASN 399 Cb 0.00 0.43 -0.00 0.00 -2.00 0.00 0.00 41.25 39.68 3ip4 s ASN 399 CO 0.00 -0.14 1.55 0.00 -2.94 0.00 0.00 177.10 175.58 3ip4 h ALA 400 N 6.71 -0.43 -0.47 3.54 0.00 -1.92 -0.81 119.26 125.87 3ip4 h ALA 400 Ca -0.36 0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.74 3ip4 h ALA 400 Cb 1.17 1.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.99 3ip4 h ALA 400 CO 0.37 -0.90 -0.41 -0.22 0.00 0.00 0.00 179.25 178.09 3ip4 h LYS 401 N -0.17 -0.27 -0.27 0.00 1.63 -1.96 0.31 116.57 115.84 3ip4 h LYS 401 Ca 0.17 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.04 3ip4 h LYS 401 Cb 0.53 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.18 3ip4 h LYS 401 CO -0.78 -0.18 0.00 0.37 -3.45 0.00 0.00 179.45 175.41 3ip4 h GLN 402 N -0.28 0.09 -0.71 1.90 5.75 -1.82 -1.59 115.11 118.45 3ip4 h GLN 402 Ca 0.16 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3ip4 h GLN 402 Cb 0.57 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 3ip4 h GLN 402 CO -0.61 0.06 0.46 0.82 -2.65 0.00 0.00 178.83 176.90 3ip4 h ILE 403 N 0.09 1.19 -0.20 2.39 2.04 -0.20 0.22 117.51 123.04 3ip4 h ILE 403 Ca 0.13 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 3ip4 h ILE 403 Cb 0.17 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3ip4 h ILE 403 CO -0.21 0.19 0.12 -0.03 0.00 0.00 0.00 178.15 178.21 3ip4 h MET 404 N 0.96 0.28 0.07 2.37 4.05 0.09 -3.15 114.93 119.60 3ip4 h MET 404 Ca 0.26 -0.03 -0.26 0.00 -0.28 0.00 0.00 59.70 59.39 3ip4 h MET 404 Cb -0.09 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 3ip4 h MET 404 CO -0.05 0.23 -1.24 1.05 0.23 0.00 0.00 176.91 177.13 3ip4 h GLU 405 N 0.24 0.15 0.00 0.39 4.11 -1.16 0.34 114.58 118.65 3ip4 h GLU 405 Ca 0.07 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3ip4 h GLU 405 Cb 0.03 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ip4 h GLU 405 CO -0.01 1.07 0.00 -0.25 0.07 0.00 0.00 179.01 179.89 3ip4 n ASP 406 N -3.42 0.00 0.00 3.06 9.92 0.75 -1.34 116.55 125.53 3ip4 n ASP 406 Ca -0.07 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 3ip4 n ASP 406 Cb 1.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.48 3ip4 n ASP 406 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3ip4 n ASN 407 N -0.60 0.26 -2.39 -2.24 3.02 -1.19 -5.03 115.26 107.09 3ip4 n ASN 407 Ca 0.02 -1.01 -0.14 0.00 -0.03 0.00 0.00 54.58 53.43 3ip4 n ASN 407 Cb 0.01 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3ip4 n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ip4 n GLY 408 N -0.00 0.03 1.04 7.41 0.00 -0.45 -4.94 105.19 108.29 3ip4 n GLY 408 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3ip4 n GLY 408 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ip4 n LEU 409 N -3.21 3.44 -4.67 0.99 4.32 0.12 -4.91 117.00 113.08 3ip4 n LEU 409 Ca -0.01 -1.88 -0.43 0.00 -0.02 0.00 0.00 56.01 53.67 3ip4 n LEU 409 Cb 0.54 -0.34 -0.02 0.00 -1.62 0.00 0.00 43.42 41.98 3ip4 n LEU 409 CO 0.39 0.84 0.97 0.68 -1.22 0.00 0.00 177.39 179.05 3ip4 s VAL 410 N -1.07 4.48 -0.05 4.08 -7.23 -1.24 -4.94 120.40 114.43 3ip4 s VAL 410 Ca 0.37 1.78 -0.19 0.00 -1.81 0.00 0.00 61.98 62.13 3ip4 s VAL 410 Cb 0.20 -4.15 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 3ip4 s VAL 410 CO 0.26 -0.11 0.55 -1.58 -0.31 0.00 0.00 175.10 173.91 3ip4 s GLN 411 N 3.02 4.30 -0.37 4.82 0.74 -1.26 -4.72 119.66 126.19 3ip4 s GLN 411 Ca 0.50 0.63 -0.17 0.00 0.05 0.00 0.00 55.36 56.37 3ip4 s GLN 411 Cb -0.19 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.55 3ip4 s GLN 411 CO 0.13 0.30 0.45 0.42 -0.55 0.00 0.00 175.29 176.04 3ip4 s ILE 412 N 0.07 5.08 0.00 -2.34 1.01 -0.64 -4.90 121.20 119.48 3ip4 s ILE 412 Ca 0.29 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3ip4 s ILE 412 Cb -0.17 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3ip4 s ILE 412 CO 0.15 -0.24 0.03 -1.20 0.00 0.00 0.00 174.94 173.67 3ip4 n SER 413 N 5.61 0.06 -4.67 3.58 7.64 -1.26 -1.89 113.62 122.68 3ip4 n SER 413 Ca -0.07 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 58.93 3ip4 n SER 413 Cb 0.49 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.43 3ip4 n SER 413 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3ip4 s ASP 414 N -0.77 6.89 0.56 6.43 1.47 -1.26 -4.89 116.67 125.10 3ip4 s ASP 414 Ca 0.00 1.94 0.35 0.00 1.18 0.00 0.00 52.55 56.02 3ip4 s ASP 414 Cb 0.00 -2.55 1.49 0.00 -0.34 0.00 0.00 42.92 41.52 3ip4 s ASP 414 CO 0.00 -0.74 1.77 -0.08 0.68 0.00 0.00 175.17 176.79 3ip4 h GLU 415 N 8.17 0.00 0.18 2.11 4.81 -1.98 -2.20 114.58 125.68 3ip4 h GLU 415 Ca -0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3ip4 h GLU 415 Cb 1.15 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3ip4 h GLU 415 CO 0.93 0.00 -0.11 0.00 -0.73 0.00 0.00 179.01 179.10 3ip4 h ALA 416 N 1.32 -1.00 -0.77 2.92 0.00 -2.00 -0.01 119.26 119.72 3ip4 h ALA 416 Ca 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ip4 h ALA 416 Cb 2.18 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 20.13 3ip4 h ALA 416 CO -0.01 -0.98 0.48 1.15 0.00 0.00 0.00 179.25 179.89 3ip4 h THR 417 N -0.27 1.21 -0.41 0.00 2.02 -1.88 -1.98 112.91 111.60 3ip4 h THR 417 Ca -0.02 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 3ip4 h THR 417 Cb 0.21 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3ip4 h THR 417 CO 0.03 0.21 0.19 -0.07 0.37 0.00 0.00 175.52 176.25 3ip4 h LEU 418 N 1.06 0.51 -1.04 2.58 3.38 -1.38 -0.85 115.31 119.57 3ip4 h LEU 418 Ca 0.28 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3ip4 h LEU 418 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3ip4 h LEU 418 CO -0.06 0.45 -0.26 0.25 0.09 0.00 0.00 178.44 178.91 3ip4 h LEU 419 N 0.58 0.36 -0.57 1.67 5.85 -0.21 -1.33 115.31 121.66 3ip4 h LEU 419 Ca 0.15 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ip4 h LEU 419 Cb 0.08 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3ip4 h LEU 419 CO -0.02 0.63 0.23 0.11 -0.34 0.00 0.00 178.44 179.05 3ip4 h LYS 420 N 0.32 0.85 -0.45 1.25 1.57 -0.96 0.49 116.57 119.65 3ip4 h LYS 420 Ca 0.05 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3ip4 h LYS 420 Cb 0.64 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3ip4 h LYS 420 CO 0.05 0.73 0.01 0.74 -0.57 0.00 0.00 179.45 180.41 3ip4 h PHE 421 N 0.78 0.85 -0.02 -1.35 0.04 -1.04 -1.87 116.94 114.33 3ip4 h PHE 421 Ca 0.19 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3ip4 h PHE 421 Cb 0.19 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 3ip4 h PHE 421 CO 0.01 0.83 0.01 0.28 -0.60 0.00 0.00 178.31 178.84 3ip4 h VAL 422 N 0.63 1.01 -0.75 -0.55 2.07 -0.95 0.06 116.25 117.78 3ip4 h VAL 422 Ca 0.13 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 3ip4 h VAL 422 Cb 0.48 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3ip4 h VAL 422 CO 0.02 0.01 0.39 0.78 0.02 0.00 0.00 177.57 178.79 3ip4 h ASN 423 N 0.02 0.94 -0.51 0.57 2.35 -0.86 -0.68 115.58 117.41 3ip4 h ASN 423 Ca 0.01 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3ip4 h ASN 423 Cb 0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3ip4 h ASN 423 CO -0.00 0.78 0.04 -0.08 -1.65 0.00 0.00 177.43 176.51 3ip4 h GLU 424 N 1.05 0.87 -0.56 0.81 4.81 -1.07 -2.13 114.58 118.37 3ip4 h GLU 424 Ca 0.26 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3ip4 h GLU 424 Cb 0.06 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3ip4 h GLU 424 CO -0.04 0.89 0.32 0.00 -0.73 0.00 0.00 179.01 179.45 3ip4 h ALA 425 N 0.95 0.72 -0.15 2.92 0.00 -0.31 -1.36 119.26 122.03 3ip4 h ALA 425 Ca 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ip4 h ALA 425 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ip4 h ALA 425 CO 0.02 0.22 0.05 -0.07 0.00 0.00 0.00 179.25 179.47 3ip4 h LEU 426 N 0.75 0.21 -0.94 0.00 -0.00 -1.01 -2.44 115.31 111.88 3ip4 h LEU 426 Ca 0.20 -0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 3ip4 h LEU 426 Cb 0.01 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 3ip4 h LEU 426 CO -0.03 0.33 0.30 0.44 -0.00 0.00 0.00 178.44 179.48 3ip4 h ASP 427 N 0.08 0.98 -0.06 -0.43 3.32 -1.26 -2.97 116.42 116.07 3ip4 h ASP 427 Ca 0.05 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3ip4 h ASP 427 Cb 0.19 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3ip4 h ASP 427 CO -0.00 0.86 0.00 0.59 -1.72 0.00 0.00 179.24 178.97 3ip4 n ASN 428 N -4.30 1.06 -3.04 6.45 3.02 -0.53 -4.24 115.26 113.68 3ip4 n ASN 428 Ca 0.07 -1.47 -0.15 0.00 -0.03 0.00 0.00 54.58 52.99 3ip4 n ASN 428 Cb 0.17 -0.03 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3ip4 n ASN 428 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ip4 n ASN 429 N -0.13 0.53 -0.18 6.41 3.02 -0.93 -4.97 115.26 119.01 3ip4 n ASN 429 Ca 0.18 -3.02 -0.03 0.00 -0.03 0.00 0.00 54.58 51.68 3ip4 n ASN 429 Cb 0.26 -0.29 0.07 0.00 -0.61 0.00 0.00 39.78 39.20 3ip4 n ASN 429 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3ip4 h GLU 430 N 2.97 0.46 -1.00 3.52 4.81 -1.73 -1.45 114.58 122.16 3ip4 h GLU 430 Ca 0.03 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ip4 h GLU 430 Cb 1.03 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 3ip4 h GLU 430 CO 0.45 0.30 0.67 0.37 -0.73 0.00 0.00 179.01 180.07 3ip4 h GLN 431 N 0.47 1.32 -0.46 1.92 5.75 -1.93 -1.64 115.11 120.54 3ip4 h GLN 431 Ca 0.25 -0.08 -0.13 0.00 -0.15 0.00 0.00 58.65 58.54 3ip4 h GLN 431 Cb 0.21 -0.30 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 3ip4 h GLN 431 CO -0.20 0.87 -0.22 0.77 -2.65 0.00 0.00 178.83 177.41 3ip4 h SER 432 N 1.36 0.99 -0.43 -0.69 0.02 -1.87 0.24 113.55 113.17 3ip4 h SER 432 Ca 0.37 -0.40 0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3ip4 h SER 432 Cb -0.16 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.05 3ip4 h SER 432 CO -0.08 1.17 0.09 0.58 -1.14 0.00 0.00 176.83 177.45 3ip4 h VAL 433 N 0.81 0.78 -0.29 2.27 2.07 -0.61 -0.34 116.25 120.94 3ip4 h VAL 433 Ca 0.10 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 3ip4 h VAL 433 Cb 0.79 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3ip4 h VAL 433 CO 0.07 0.04 -0.43 -0.08 0.02 0.00 0.00 177.57 177.19 3ip4 h GLU 434 N 0.22 0.72 -0.48 1.57 4.81 -1.18 -2.60 114.58 117.64 3ip4 h GLU 434 Ca 0.21 -0.39 0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3ip4 h GLU 434 Cb 0.26 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3ip4 h GLU 434 CO -0.27 1.01 0.33 -0.44 -0.73 0.00 0.00 179.01 178.90 3ip4 h ASP 435 N 0.58 0.22 -0.14 1.04 3.32 0.07 -0.00 116.42 121.51 3ip4 h ASP 435 Ca 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3ip4 h ASP 435 Cb 0.98 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 3ip4 h ASP 435 CO 0.09 0.14 -0.08 0.22 -1.72 0.00 0.00 179.24 177.89 3ip4 h TYR 436 N 0.25 0.35 0.00 4.55 3.20 -0.72 1.11 116.97 125.72 3ip4 h TYR 436 Ca 0.22 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3ip4 h TYR 436 Cb 0.55 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 3ip4 h TYR 436 CO -0.00 0.64 -0.03 -0.22 -1.64 0.00 0.00 178.16 176.91 3ip4 h LYS 437 N -0.04 0.00 -0.05 1.82 3.11 -0.93 -1.80 116.57 118.68 3ip4 h LYS 437 Ca 0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 3ip4 h LYS 437 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 3ip4 h LYS 437 CO 0.02 0.03 0.00 0.09 -2.81 0.00 0.00 179.45 176.79 3ip4 n ASN 438 N -3.31 2.08 -3.82 4.20 3.02 -0.16 -5.01 115.26 112.26 3ip4 n ASN 438 Ca -0.02 -1.54 -0.26 0.00 -0.03 0.00 0.00 54.58 52.73 3ip4 n ASN 438 Cb 0.17 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3ip4 n ASN 438 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ip4 n GLY 439 N 0.64 -0.46 0.37 7.41 0.00 0.34 -4.85 105.19 108.64 3ip4 n GLY 439 Ca 0.07 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.38 3ip4 n GLY 439 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ip4 n LYS 440 N -4.31 1.46 0.00 1.61 3.00 0.11 -4.98 118.16 115.05 3ip4 n LYS 440 Ca -0.25 -0.72 0.00 0.00 -0.00 0.00 0.00 58.31 57.35 3ip4 n LYS 440 Cb 0.66 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.47 3ip4 n LYS 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ip4 n GLY 441 N 0.87 -0.23 2.75 3.14 0.00 -1.26 -4.97 105.19 105.49 3ip4 n GLY 441 Ca 0.09 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3ip4 n GLY 441 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ip4 n LYS 442 N 0.00 4.69 -0.05 1.61 4.76 -1.26 -4.82 118.16 123.10 3ip4 n LYS 442 Ca 0.00 -4.68 -0.11 0.00 -2.87 0.00 0.00 58.31 50.65 3ip4 n LYS 442 Cb 0.00 -2.43 -0.05 0.00 -1.84 0.00 0.00 35.03 30.72 3ip4 n LYS 442 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ip4 h ALA 443 N 4.24 0.23 -0.04 7.82 0.00 -1.89 -2.08 119.26 127.54 3ip4 h ALA 443 Ca 0.38 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3ip4 h ALA 443 Cb 0.43 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3ip4 h ALA 443 CO 1.13 -0.17 -0.17 1.98 0.00 0.00 0.00 179.25 182.01 3ip4 h MET 444 N 0.12 -0.25 -0.93 0.00 -1.53 -1.91 -0.15 114.93 110.27 3ip4 h MET 444 Ca 0.06 0.02 0.06 0.00 -3.44 0.00 0.00 59.70 56.39 3ip4 h MET 444 Cb 0.19 0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 31.23 3ip4 h MET 444 CO -0.00 -0.17 0.61 0.78 0.14 0.00 0.00 176.91 178.26 3ip4 h GLY 445 N -0.26 1.38 0.82 1.39 0.00 -1.94 -1.09 103.07 103.36 3ip4 h GLY 445 Ca 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3ip4 h GLY 445 CO -0.19 0.33 0.02 -2.75 0.00 0.00 0.00 176.54 173.95 3ip4 h PHE 446 N 1.09 0.31 -0.63 5.60 3.57 -0.70 -2.17 116.94 124.01 3ip4 h PHE 446 Ca 0.40 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3ip4 h PHE 446 Cb 0.15 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3ip4 h PHE 446 CO -0.00 0.46 0.36 -0.07 -2.23 0.00 0.00 178.31 176.83 3ip4 h LEU 447 N 0.06 0.78 -1.42 0.59 3.38 -0.62 -1.63 115.31 116.45 3ip4 h LEU 447 Ca 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ip4 h LEU 447 Cb 0.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3ip4 h LEU 447 CO 0.00 0.63 0.19 0.58 0.09 0.00 0.00 178.44 179.94 3ip4 h VAL 448 N 0.86 1.15 -0.54 1.22 2.07 -1.17 -2.02 116.25 117.81 3ip4 h VAL 448 Ca 0.22 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 3ip4 h VAL 448 Cb 0.02 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3ip4 h VAL 448 CO -0.04 0.17 0.11 1.23 0.02 0.00 0.00 177.57 179.07 3ip4 h GLY 449 N 0.71 0.95 1.25 2.17 0.00 -0.65 -1.22 103.07 106.28 3ip4 h GLY 449 Ca 0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3ip4 h GLY 449 CO -0.02 0.57 0.23 1.46 0.00 0.00 0.00 176.54 178.78 3ip4 h GLN 450 N 0.78 0.96 -0.52 4.80 1.08 -0.66 -0.89 115.11 120.65 3ip4 h GLN 450 Ca 0.17 -0.17 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 3ip4 h GLN 450 Cb 0.37 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3ip4 h GLN 450 CO 0.01 0.80 -0.15 0.82 -0.95 0.00 0.00 178.83 179.36 3ip4 h ILE 451 N 0.93 1.27 -0.83 2.54 2.04 -1.17 0.15 117.51 122.45 3ip4 h ILE 451 Ca 0.21 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 3ip4 h ILE 451 Cb 0.23 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 3ip4 h ILE 451 CO -0.01 0.46 0.43 0.24 0.00 0.00 0.00 178.15 179.27 3ip4 h MET 452 N 0.90 1.17 -0.12 2.37 2.86 -0.74 0.28 114.93 121.65 3ip4 h MET 452 Ca 0.13 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3ip4 h MET 452 Cb 0.73 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3ip4 h MET 452 CO 0.06 0.88 -0.02 0.87 1.06 0.00 0.00 176.91 179.76 3ip4 h LYS 453 N 1.16 0.22 -0.90 1.72 1.57 -0.86 0.42 116.57 119.91 3ip4 h LYS 453 Ca 0.29 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3ip4 h LYS 453 Cb 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3ip4 h LYS 453 CO -0.04 0.50 0.58 0.00 -0.57 0.00 0.00 179.45 179.92 3ip4 h ALA 454 N 0.71 1.18 -0.35 3.86 0.00 -0.31 -1.56 119.26 122.78 3ip4 h ALA 454 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ip4 h ALA 454 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ip4 h ALA 454 CO 0.01 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 3ip4 n SER 455 N -4.52 1.95 -3.95 0.00 3.41 0.94 -4.93 113.62 106.53 3ip4 n SER 455 Ca 0.11 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.47 3ip4 n SER 455 Cb 0.09 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3ip4 n SER 455 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ip4 n LYS 456 N 0.56 -3.99 -3.43 4.33 5.02 -0.53 -2.22 118.16 117.91 3ip4 n LYS 456 Ca 0.13 0.47 -0.18 0.00 -2.02 0.00 0.00 58.31 56.71 3ip4 n LYS 456 Cb 0.31 -4.94 0.09 0.00 -0.02 0.00 0.00 35.03 30.47 3ip4 n LYS 456 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ip4 n GLY 457 N -1.74 -0.37 0.00 0.72 0.00 0.14 -4.92 105.19 99.01 3ip4 n GLY 457 Ca -0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3ip4 n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ip4 n GLN 458 N -4.21 1.56 -1.64 1.61 6.02 -0.94 -5.00 117.38 114.78 3ip4 n GLN 458 Ca -0.23 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.29 3ip4 n GLN 458 Cb 0.65 -0.93 -0.03 0.00 1.02 0.00 0.00 30.24 30.94 3ip4 n GLN 458 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ip4 n ALA 459 N -2.12 0.54 -1.92 -1.58 0.00 -1.26 -1.63 120.51 112.55 3ip4 n ALA 459 Ca 0.00 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.45 3ip4 n ALA 459 Cb 0.43 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3ip4 n ALA 459 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3ip4 s ASN 460 N 0.33 5.84 0.15 0.00 3.84 -0.79 -4.86 114.94 119.44 3ip4 s ASN 460 Ca 0.72 1.46 -0.31 0.00 0.21 0.00 0.00 52.86 54.94 3ip4 s ASN 460 Cb -0.73 -2.52 -0.07 0.00 -0.55 0.00 0.00 41.25 37.38 3ip4 s ASN 460 CO 0.48 -1.73 1.55 -0.65 -2.79 0.00 0.00 177.10 173.97 3ip4 h PRO 461 N 13.17 -0.25 -0.87 0.43 0.11 -1.92 0.39 132.00 143.05 3ip4 h PRO 461 Ca -0.35 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.79 3ip4 h PRO 461 Cb 1.18 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3ip4 h PRO 461 CO 1.01 -0.16 0.57 0.37 -0.21 0.00 0.00 178.00 179.58 3ip4 h GLN 462 N -0.26 1.12 -0.03 1.05 4.15 -2.00 -1.86 115.11 117.28 3ip4 h GLN 462 Ca 0.12 -0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.27 3ip4 h GLN 462 Cb 0.54 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 3ip4 h GLN 462 CO -0.71 0.74 -0.85 -0.07 -1.93 0.00 0.00 178.83 176.00 3ip4 h LEU 463 N 1.15 0.49 0.01 -2.39 3.38 -1.77 -2.61 115.31 113.57 3ip4 h LEU 463 Ca 0.33 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ip4 h LEU 463 Cb -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3ip4 h LEU 463 CO -0.09 1.14 -0.00 0.58 0.09 0.00 0.00 178.44 180.16 3ip4 h VAL 464 N 0.24 1.15 -0.42 1.22 2.07 -0.07 -1.15 116.25 119.29 3ip4 h VAL 464 Ca -0.06 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.08 3ip4 h VAL 464 Cb 1.46 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 32.62 3ip4 h VAL 464 CO 0.15 0.12 -0.18 0.78 0.02 0.00 0.00 177.57 178.46 3ip4 h ASN 465 N -0.21 -0.62 0.43 0.57 2.35 -1.37 0.30 115.58 117.04 3ip4 h ASN 465 Ca -0.00 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3ip4 h ASN 465 Cb 0.21 0.35 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3ip4 h ASN 465 CO 0.00 -0.21 -0.21 1.56 -1.65 0.00 0.00 177.43 176.92 3ip4 h GLN 466 N -0.09 -0.56 -0.77 0.81 4.20 -1.35 -1.17 115.11 116.18 3ip4 h GLN 466 Ca 0.21 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.01 3ip4 h GLN 466 Cb 0.41 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.26 3ip4 h GLN 466 CO -0.48 -0.34 0.46 1.25 -0.67 0.00 0.00 178.83 179.04 3ip4 h LEU 467 N -0.64 0.72 0.11 1.46 5.85 -0.91 -1.24 115.31 120.66 3ip4 h LEU 467 Ca -0.06 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3ip4 h LEU 467 Cb 0.48 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ip4 h LEU 467 CO 0.10 0.47 -0.16 0.25 -0.34 0.00 0.00 178.44 178.75 3ip4 h LEU 468 N 0.85 -0.45 -0.52 2.25 5.85 -0.24 -1.55 115.31 121.50 3ip4 h LEU 468 Ca 0.33 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.15 3ip4 h LEU 468 Cb 0.15 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3ip4 h LEU 468 CO -0.17 -0.24 0.27 0.50 -0.34 0.00 0.00 178.44 178.46 3ip4 h LYS 469 N -0.33 0.51 0.14 1.25 3.64 -0.88 0.65 116.57 121.55 3ip4 h LYS 469 Ca 0.02 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ip4 h LYS 469 Cb 0.34 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3ip4 h LYS 469 CO -0.08 0.34 -0.30 0.37 -2.27 0.00 0.00 179.45 177.51 3ip4 h GLN 470 N 0.53 -0.52 -0.64 1.90 4.15 -0.92 0.14 115.11 119.76 3ip4 h GLN 470 Ca 0.23 0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.61 3ip4 h GLN 470 Cb 0.13 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3ip4 h GLN 470 CO -0.15 -0.35 0.09 0.93 -1.93 0.00 0.00 178.83 177.42 3ip4 h GLU 471 N -0.54 1.06 -0.64 1.69 4.39 -1.10 -2.20 114.58 117.23 3ip4 h GLU 471 Ca 0.03 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 3ip4 h GLU 471 Cb 0.56 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 3ip4 h GLU 471 CO -0.16 0.98 0.28 -0.07 -1.16 0.00 0.00 179.01 178.87 3ip4 h LEU 472 N 0.99 0.86 -1.03 1.33 3.38 -0.56 -2.82 115.31 117.46 3ip4 h LEU 472 Ca 0.19 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3ip4 h LEU 472 Cb 0.44 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ip4 h LEU 472 CO 0.01 0.78 -0.07 0.44 0.09 0.00 0.00 178.44 179.70 3ip4 h ASP 473 N 0.89 0.60 0.51 -0.43 3.32 -0.50 -2.39 116.42 118.41 3ip4 h ASP 473 Ca 0.22 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ip4 h ASP 473 Cb 0.17 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ip4 h ASP 473 CO -0.02 0.71 0.00 0.11 -1.72 0.00 0.00 179.24 178.32 3ip4 h LYS 474 N 0.58 0.00 -1.04 3.56 1.57 -1.15 -3.31 116.57 116.77 3ip4 h LYS 474 Ca 0.11 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.22 3ip4 h LYS 474 Cb 0.47 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.48 3ip4 h LYS 474 CO 0.02 0.00 0.74 0.54 -0.57 0.00 0.00 179.45 180.18 3ip4 n ARG 475 N -3.06 2.78 -1.14 3.15 1.74 -0.90 -4.80 116.66 114.43 3ip4 n ARG 475 Ca -0.01 -3.39 -0.31 0.00 -0.77 0.00 0.00 57.85 53.37 3ip4 n ARG 475 Cb 0.19 -2.29 -0.05 0.00 -1.02 0.00 0.00 32.46 29.28 3ip4 n ARG 475 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ip4 n LEU 476 N -0.88 7.41 0.00 0.55 7.99 -1.25 -4.74 117.00 126.09 3ip4 n LEU 476 Ca 0.61 -3.86 0.00 0.00 -0.01 0.00 0.00 56.01 52.74 3ip4 n LEU 476 Cb 0.66 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 3ip4 n LEU 476 CO 0.75 1.75 0.00 -1.84 -1.51 0.00 0.00 177.39 176.53 3ip4 n GLU 477 N 3.46 3.99 -3.59 3.23 -0.00 -1.26 -5.19 120.64 121.28 3ip4 n GLU 477 Ca 0.66 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.83 3ip4 n GLU 477 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.77 3ip4 n GLU 477 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3ip4 s HIS 478 N 1.32 -0.00 0.15 -1.84 0.09 -1.26 -5.13 115.29 108.62 3ip4 s HIS 478 Ca 0.00 -0.00 -0.23 0.00 -0.00 0.00 0.00 55.06 54.83 3ip4 s HIS 478 Cb 0.00 0.50 0.08 0.00 -0.00 0.00 0.00 32.58 33.16 3ip4 s HIS 478 CO 0.00 -0.01 1.08 -3.38 -0.00 0.00 0.00 174.74 172.43 3ip4 s HIS 479 N -2.02 0.06 0.07 1.40 -3.43 -1.26 -5.19 115.29 104.92 3ip4 s HIS 479 Ca 0.14 -0.41 -0.03 0.00 -0.80 0.00 0.00 55.06 53.95 3ip4 s HIS 479 Cb 0.04 0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 31.84 3ip4 s HIS 479 CO -0.05 -0.81 0.04 -1.58 -2.00 0.00 0.00 174.74 170.34 3ip4 s HIS 480 N -2.16 0.44 0.04 0.38 2.46 -1.26 -5.17 115.29 110.02 3ip4 s HIS 480 Ca 0.23 -0.95 -0.28 0.00 0.47 0.00 0.00 55.06 54.54 3ip4 s HIS 480 Cb -0.02 -0.30 0.07 0.00 -0.13 0.00 0.00 32.58 32.20 3ip4 s HIS 480 CO 0.04 -0.44 0.65 -3.38 -2.47 0.00 0.00 174.74 169.14 3ip4 s HIS 481 N -3.91 -0.61 -2.50 3.88 -3.43 -1.26 -5.38 115.29 102.08 3ip4 s HIS 481 Ca 0.08 0.80 0.28 0.00 -0.80 0.00 0.00 55.06 55.41 3ip4 s HIS 481 Cb 0.07 0.47 1.05 0.00 -1.43 0.00 0.00 32.58 32.75 3ip4 s HIS 481 CO -0.09 -0.71 1.75 0.72 -2.00 0.00 0.00 174.74 174.41