#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if2 s LYS 2 N 0.00 0.17 0.26 1.61 1.02 -1.26 -5.31 119.74 116.23 3if2 s LYS 2 Ca 0.00 0.34 0.06 0.00 0.02 0.00 0.00 55.97 56.39 3if2 s LYS 2 Cb 0.00 0.10 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 3if2 s LYS 2 CO 0.00 -0.04 0.32 -0.06 -0.92 0.00 0.00 175.35 174.65 3if2 s PHE 3 N 1.55 3.31 1.13 3.18 0.08 -1.26 -5.13 117.98 120.84 3if2 s PHE 3 Ca -0.06 -0.07 -0.19 0.00 0.12 0.00 0.00 56.93 56.73 3if2 s PHE 3 Cb -0.03 -1.57 0.27 0.00 -0.57 0.00 0.00 43.02 41.12 3if2 s PHE 3 CO -0.14 0.41 1.21 -1.54 -0.10 0.00 0.00 175.22 175.06 3if2 s SER 4 N -3.96 1.56 0.09 1.36 1.04 -1.26 -4.77 113.70 107.75 3if2 s SER 4 Ca 0.35 0.40 -0.17 0.00 0.48 0.00 0.00 55.95 57.01 3if2 s SER 4 Cb -0.09 -0.50 -0.08 0.00 0.10 0.00 0.00 66.02 65.45 3if2 s SER 4 CO 0.28 -3.71 1.45 0.11 0.98 0.00 0.00 173.24 172.35 3if2 h LYS 5 N -2.31 0.57 -0.40 4.02 1.57 -2.00 -0.60 116.57 117.42 3if2 h LYS 5 Ca -0.44 -0.25 0.08 0.00 -1.87 0.00 0.00 60.65 58.18 3if2 h LYS 5 Cb 1.26 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.47 3if2 h LYS 5 CO 0.32 0.81 -0.18 0.35 -0.57 0.00 0.00 179.45 180.18 3if2 h PHE 6 N 0.30 -0.44 -0.56 -1.35 3.57 -1.93 -1.66 116.94 114.86 3if2 h PHE 6 Ca 0.06 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3if2 h PHE 6 Cb 0.64 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 3if2 h PHE 6 CO 0.06 -0.26 0.34 0.78 -2.23 0.00 0.00 178.31 177.00 3if2 h GLY 7 N -0.10 0.80 1.85 2.40 0.00 -1.87 -2.57 103.07 103.58 3if2 h GLY 7 Ca 0.20 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.29 3if2 h GLY 7 CO -0.47 0.22 0.05 1.46 0.00 0.00 0.00 176.54 177.81 3if2 h GLN 8 N 0.68 0.00 -0.26 4.80 4.20 -0.22 -1.29 115.11 123.02 3if2 h GLN 8 Ca 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3if2 h GLN 8 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3if2 h GLN 8 CO -0.10 0.00 0.05 -0.22 -0.67 0.00 0.00 178.83 177.89 3if2 h LYS 9 N 0.00 0.37 0.00 1.46 3.64 -0.93 -1.70 116.57 119.40 3if2 h LYS 9 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3if2 h LYS 9 Cb 0.14 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3if2 h LYS 9 CO -0.00 0.36 -1.11 1.19 -2.27 0.00 0.00 179.45 177.62 3if2 n PHE 10 N -4.38 0.37 0.05 1.91 3.72 -0.55 -3.98 117.46 114.59 3if2 n PHE 10 Ca 0.01 0.11 -0.10 0.00 -0.05 0.00 0.00 57.45 57.41 3if2 n PHE 10 Cb 0.17 -0.54 -0.13 0.00 -0.94 0.00 0.00 39.48 38.04 3if2 n PHE 10 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3if2 h THR 11 N 0.00 1.46 -2.17 4.37 2.02 -1.28 -3.46 112.91 113.84 3if2 h THR 11 Ca 0.00 -3.16 -0.58 0.00 0.77 0.00 0.00 66.41 63.44 3if2 h THR 11 Cb 0.80 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.99 3if2 h THR 11 CO 0.00 0.86 1.43 -1.58 0.37 0.00 0.00 175.52 176.60 3if2 s GLN 12 N -2.67 3.23 -0.18 6.66 0.74 -0.65 -4.93 119.66 121.87 3if2 s GLN 12 Ca -0.02 1.92 -0.29 0.00 0.05 0.00 0.00 55.36 57.02 3if2 s GLN 12 Cb 0.09 -4.32 -0.04 0.00 1.10 0.00 0.00 33.01 29.84 3if2 s GLN 12 CO 0.84 -1.98 1.75 -2.14 -0.55 0.00 0.00 175.29 173.21 3if2 s PRO 13 N 6.08 3.76 0.58 1.67 0.02 -1.26 -4.98 135.00 140.87 3if2 s PRO 13 Ca 0.95 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.87 3if2 s PRO 13 Cb -0.31 -4.10 0.11 0.00 0.02 0.00 0.00 34.50 30.22 3if2 s PRO 13 CO 0.35 -1.35 0.80 0.25 -0.33 0.00 0.00 177.00 176.72 3if2 n THR 14 N 6.45 0.00 -0.03 0.99 -2.24 -1.26 -4.97 114.28 113.23 3if2 n THR 14 Ca 0.20 -1.53 -0.06 0.00 -2.27 0.00 0.00 64.05 60.39 3if2 n THR 14 Cb 0.45 -0.78 0.12 0.00 -2.10 0.00 0.00 70.33 68.02 3if2 n THR 14 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3if2 h GLY 15 N -0.25 0.66 0.81 3.38 0.00 -1.99 -2.78 103.07 102.90 3if2 h GLY 15 Ca -0.27 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 3if2 h GLY 15 CO 0.33 0.54 -0.07 -2.22 0.00 0.00 0.00 176.54 175.12 3if2 h ILE 16 N 0.52 1.30 -0.84 2.60 2.04 -1.98 -1.61 117.51 119.53 3if2 h ILE 16 Ca 0.06 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 3if2 h ILE 16 Cb 0.79 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3if2 h ILE 16 CO 0.07 0.33 0.38 0.77 0.00 0.00 0.00 178.15 179.70 3if2 h SER 17 N 0.13 1.12 -0.40 1.72 4.64 -1.94 -2.84 113.55 115.99 3if2 h SER 17 Ca 0.05 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 3if2 h SER 17 Cb 0.54 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3if2 h SER 17 CO 0.02 0.96 -0.13 1.56 -0.87 0.00 0.00 176.83 178.37 3if2 h GLN 18 N 1.20 0.86 -1.01 4.77 4.20 -1.48 -0.22 115.11 123.44 3if2 h GLN 18 Ca 0.28 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3if2 h GLN 18 Cb 0.16 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3if2 h GLN 18 CO -0.03 0.94 0.00 -0.11 -0.67 0.00 0.00 178.83 178.96 3if2 n LEU 19 N -4.15 0.60 0.00 1.46 7.94 -0.61 -2.11 117.00 120.13 3if2 n LEU 19 Ca 0.01 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 3if2 n LEU 19 Cb 0.39 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.19 3if2 n LEU 19 CO 0.44 0.11 0.00 0.47 -1.11 0.00 0.00 177.39 177.30 3if2 n ASP 21 N 0.61 0.00 -0.29 1.96 8.00 -0.09 -1.56 116.55 125.17 3if2 n ASP 21 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3if2 n ASP 21 Cb 0.11 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.36 3if2 n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3if2 h ASP 22 N 0.00 1.03 0.04 -2.24 3.32 -1.70 0.21 116.42 117.09 3if2 h ASP 22 Ca 0.00 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 3if2 h ASP 22 Cb 0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3if2 h ASP 22 CO 0.00 0.80 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.76 3if2 h LEU 23 N 1.18 0.55 -0.35 1.55 4.07 -1.57 -2.21 115.31 118.53 3if2 h LEU 23 Ca 0.31 -0.27 -0.19 0.00 0.08 0.00 0.00 57.88 57.81 3if2 h LEU 23 Cb -0.04 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 3if2 h LEU 23 CO -0.06 0.95 -0.69 1.23 -1.08 0.00 0.00 178.44 178.80 3if2 h GLY 24 N 1.11 0.66 0.77 0.83 0.00 -1.72 -3.20 103.07 101.51 3if2 h GLY 24 Ca 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 3if2 h GLY 24 CO 0.09 0.78 -0.02 -0.55 0.00 0.00 0.00 176.54 176.83 3if2 h ASP 25 N 0.42 0.29 -0.68 0.19 3.32 -0.56 -2.77 116.42 116.63 3if2 h ASP 25 Ca -0.02 -0.35 0.11 0.00 0.02 0.00 0.00 57.03 56.78 3if2 h ASP 25 Cb 1.27 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 3if2 h ASP 25 CO 0.13 0.57 0.29 0.00 -1.72 0.00 0.00 179.24 178.51 3if2 h ALA 26 N 0.73 0.93 0.64 3.45 0.00 -1.50 0.14 119.26 123.65 3if2 h ALA 26 Ca 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3if2 h ALA 26 Cb 0.43 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3if2 h ALA 26 CO 0.01 -0.14 -0.31 -0.07 0.00 0.00 0.00 179.25 178.74 3if2 h LEU 27 N 0.49 -0.72 -1.50 0.00 4.07 -1.59 -3.20 115.31 112.86 3if2 h LEU 27 Ca 0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.31 3if2 h LEU 27 Cb 0.44 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.37 3if2 h LEU 27 CO -0.32 -0.47 0.00 0.11 -1.08 0.00 0.00 178.44 176.68 3if2 h LYS 28 N -0.93 0.00 -7.25 1.13 6.56 -1.21 -3.45 116.57 111.42 3if2 h LYS 28 Ca -0.09 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.00 3if2 h LYS 28 Cb 0.68 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.43 3if2 h LYS 28 CO 0.14 0.00 0.37 0.45 -2.06 0.00 0.00 179.45 178.35 3if2 s SER 29 N -4.88 5.44 0.15 0.86 0.15 0.48 -4.99 113.70 110.90 3if2 s SER 29 Ca 0.00 1.78 -0.04 0.00 0.70 0.00 0.00 55.95 58.40 3if2 s SER 29 Cb 0.09 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 3if2 s SER 29 CO 0.42 -1.40 1.38 0.44 1.20 0.00 0.00 173.24 175.27 3if2 h ASP 30 N -0.12 0.57 -2.11 5.45 5.19 -1.88 -3.44 116.42 120.08 3if2 h ASP 30 Ca -0.46 -0.40 -0.59 0.00 -0.62 0.00 0.00 57.03 54.97 3if2 h ASP 30 Cb 1.22 -0.17 0.02 0.00 0.18 0.00 0.00 39.33 40.58 3if2 h ASP 30 CO 0.56 1.16 1.16 0.00 -3.12 0.00 0.00 179.24 179.00 3if2 n GLN 31 N -3.83 2.37 -1.94 3.56 1.13 -1.26 -4.98 117.38 112.44 3if2 n GLN 31 Ca -0.05 0.86 -0.32 0.00 -1.94 0.00 0.00 57.00 55.55 3if2 n GLN 31 Cb 0.75 -2.77 0.02 0.00 0.11 0.00 0.00 30.24 28.35 3if2 n GLN 31 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3if2 s PRO 32 N 4.31 3.28 0.05 -1.09 0.04 -1.26 -4.95 135.00 135.38 3if2 s PRO 32 Ca 0.92 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 3if2 s PRO 32 Cb -0.61 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.88 3if2 s PRO 32 CO 0.48 -0.83 0.07 0.14 0.04 0.00 0.00 177.00 176.90 3if2 s VAL 33 N -2.67 0.16 0.66 -0.36 -7.23 -1.26 -4.93 120.40 104.75 3if2 s VAL 33 Ca 0.61 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.45 3if2 s VAL 33 Cb -0.15 -1.08 0.14 0.00 0.56 0.00 0.00 36.38 35.86 3if2 s VAL 33 CO 0.42 -0.71 0.90 0.59 -0.31 0.00 0.00 175.10 175.99 3if2 n ASN 34 N 0.54 0.75 0.00 4.85 3.02 0.20 -5.02 115.26 119.59 3if2 n ASN 34 Ca -0.17 -1.74 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3if2 n ASN 34 Cb 0.59 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 3if2 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3if2 n LEU 36 N 0.00 0.00 0.00 3.41 4.77 -0.41 -1.57 117.00 123.20 3if2 n LEU 36 Ca 0.13 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 3if2 n LEU 36 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3if2 n LEU 36 CO 0.33 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3if2 n GLY 37 N 0.00 -1.06 3.88 -0.72 0.00 -0.13 -0.29 105.19 106.87 3if2 n GLY 37 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3if2 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3if2 s GLY 38 N -3.14 1.64 -0.03 -0.02 0.00 -1.26 -4.74 107.32 99.76 3if2 s GLY 38 Ca 0.07 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 44.04 3if2 s GLY 38 CO 0.84 -0.20 1.06 0.61 0.00 0.00 0.00 173.10 175.41 3if2 n GLY 39 N -3.15 3.42 3.73 0.20 0.00 -1.26 -4.69 105.19 103.43 3if2 n GLY 39 Ca 0.10 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3if2 n GLY 39 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3if2 s ASN 40 N -1.43 7.24 0.84 1.61 2.47 -1.26 -5.03 114.94 119.38 3if2 s ASN 40 Ca 0.10 2.05 -0.10 0.00 0.42 0.00 0.00 52.86 55.32 3if2 s ASN 40 Cb 0.08 -2.60 0.10 0.00 -1.45 0.00 0.00 41.25 37.38 3if2 s ASN 40 CO 0.02 -0.27 1.11 -2.16 -3.72 0.00 0.00 177.10 172.08 3if2 s PRO 41 N -0.00 1.68 0.91 0.43 0.04 -1.26 -4.89 135.00 131.90 3if2 s PRO 41 Ca 0.51 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 3if2 s PRO 41 Cb -0.29 -1.82 0.14 0.00 0.04 0.00 0.00 34.50 32.57 3if2 s PRO 41 CO 0.33 -2.08 1.10 0.00 0.04 0.00 0.00 177.00 176.39 3if2 s ALA 42 N -2.81 1.41 -0.79 8.56 0.00 -1.26 -4.99 121.76 121.88 3if2 s ALA 42 Ca 0.63 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 3if2 s ALA 42 Cb -0.19 -3.30 0.14 0.00 0.00 0.00 0.00 23.12 19.77 3if2 s ALA 42 CO 0.57 -2.55 0.92 0.15 0.00 0.00 0.00 175.76 174.85 3if2 s LYS 43 N -4.77 3.41 -0.46 0.00 1.02 -1.26 -4.96 119.74 112.71 3if2 s LYS 43 Ca 0.65 -1.71 -0.18 0.00 0.02 0.00 0.00 55.97 54.75 3if2 s LYS 43 Cb -0.20 -4.58 0.04 0.00 -0.52 0.00 0.00 37.83 32.58 3if2 s LYS 43 CO 0.58 -1.61 0.49 0.42 -0.92 0.00 0.00 175.35 174.31 3if2 s ILE 44 N 2.26 5.04 0.28 2.17 1.01 -1.26 -4.98 121.20 125.73 3if2 s ILE 44 Ca 0.23 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3if2 s ILE 44 Cb -0.12 -4.14 0.28 0.00 0.01 0.00 0.00 42.46 38.49 3if2 s ILE 44 CO -0.03 -0.58 1.69 0.44 0.00 0.00 0.00 174.94 176.46 3if2 h ASP 45 N 8.82 0.25 -0.20 3.58 3.32 -1.99 -0.31 116.42 129.88 3if2 h ASP 45 Ca -0.27 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3if2 h ASP 45 Cb 1.10 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 3if2 h ASP 45 CO 0.87 -0.02 0.01 0.00 -1.72 0.00 0.00 179.24 178.38 3if2 h ALA 46 N 1.70 1.45 -0.11 3.45 0.00 -2.00 -1.22 119.26 122.53 3if2 h ALA 46 Ca 0.54 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 3if2 h ALA 46 Cb 1.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3if2 h ALA 46 CO -0.54 0.39 -0.13 0.28 0.00 0.00 0.00 179.25 179.25 3if2 h VAL 47 N 0.45 1.36 -0.16 0.00 2.07 -1.48 -2.97 116.25 115.52 3if2 h VAL 47 Ca 0.10 -1.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 3if2 h VAL 47 Cb 0.28 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3if2 h VAL 47 CO 0.01 0.38 -0.25 0.78 0.02 0.00 0.00 177.57 178.50 3if2 h ASN 48 N -0.12 0.29 -0.43 0.57 2.35 -1.21 -1.34 115.58 115.70 3if2 h ASN 48 Ca 0.02 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3if2 h ASN 48 Cb 0.67 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3if2 h ASN 48 CO 0.03 0.55 0.26 -0.33 -1.65 0.00 0.00 177.43 176.29 3if2 h GLU 49 N 0.26 0.58 -0.47 0.81 5.08 -1.25 0.17 114.58 119.76 3if2 h GLU 49 Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3if2 h GLU 49 Cb 0.59 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3if2 h GLU 49 CO 0.04 0.43 0.08 1.25 -1.00 0.00 0.00 179.01 179.82 3if2 h LEU 50 N 0.57 0.74 -0.49 1.33 5.85 -1.32 -1.91 115.31 120.07 3if2 h LEU 50 Ca 0.15 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3if2 h LEU 50 Cb -0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3if2 h LEU 50 CO -0.03 0.80 0.32 -0.26 -0.34 0.00 0.00 178.44 178.94 3if2 h PHE 51 N 0.64 0.62 -0.68 1.25 0.04 -1.14 -1.33 116.94 116.33 3if2 h PHE 51 Ca 0.14 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 3if2 h PHE 51 Cb 0.38 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3if2 h PHE 51 CO 0.03 0.39 0.30 1.25 -0.60 0.00 0.00 178.31 179.68 3if2 h LEU 52 N 0.66 0.91 -0.16 1.54 5.85 -0.54 -0.44 115.31 123.14 3if2 h LEU 52 Ca 0.18 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3if2 h LEU 52 Cb -0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3if2 h LEU 52 CO -0.04 0.81 0.06 -0.08 -0.34 0.00 0.00 178.44 178.86 3if2 h GLU 53 N 0.96 0.14 -0.30 1.25 4.81 -1.23 -1.48 114.58 118.73 3if2 h GLU 53 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3if2 h GLU 53 Cb 0.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3if2 h GLU 53 CO -0.02 0.09 0.19 1.15 -0.73 0.00 0.00 179.01 179.69 3if2 h THR 54 N 0.15 1.09 -0.49 0.32 2.02 -0.93 -1.39 112.91 113.68 3if2 h THR 54 Ca 0.07 -0.18 0.09 0.00 0.77 0.00 0.00 66.41 67.15 3if2 h THR 54 Cb 0.03 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 3if2 h THR 54 CO -0.06 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.20 3if2 h TYR 55 N 0.39 0.09 -0.14 3.16 3.20 -0.91 -0.74 116.97 122.03 3if2 h TYR 55 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3if2 h TYR 55 Cb -0.02 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3if2 h TYR 55 CO -0.05 -0.04 0.05 0.87 -1.64 0.00 0.00 178.16 177.34 3if2 h LYS 56 N 0.19 0.21 -0.60 1.82 1.57 -1.11 -3.01 116.57 115.65 3if2 h LYS 56 Ca 0.25 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.06 3if2 h LYS 56 Cb 0.35 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 3if2 h LYS 56 CO -0.35 0.34 0.26 0.00 -0.57 0.00 0.00 179.45 179.12 3if2 h ALA 57 N 0.87 0.78 0.00 3.86 0.00 -0.64 -0.58 119.26 123.55 3if2 h ALA 57 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3if2 h ALA 57 Cb 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3if2 h ALA 57 CO -0.00 -0.13 -0.02 -0.07 0.00 0.00 0.00 179.25 179.03 3if2 h LEU 58 N 0.47 0.00 0.00 0.00 3.38 -1.11 -2.48 115.31 115.57 3if2 h LEU 58 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3if2 h LEU 58 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3if2 h LEU 58 CO -0.25 0.02 -0.86 0.61 0.09 0.00 0.00 178.44 178.04 3if2 n GLY 59 N -1.26 -1.14 0.92 0.83 0.00 -0.37 -1.08 105.19 103.09 3if2 n GLY 59 Ca -0.03 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.62 3if2 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3if2 n ASN 60 N -1.65 3.18 -1.91 1.61 3.02 -0.38 -4.58 115.26 114.55 3if2 n ASN 60 Ca 0.04 -1.92 0.03 0.00 -0.03 0.00 0.00 54.58 52.69 3if2 n ASN 60 Cb 0.37 -0.26 0.38 0.00 -0.61 0.00 0.00 39.78 39.65 3if2 n ASN 60 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3if2 n ASP 61 N 1.06 5.46 -4.79 6.41 5.68 -1.14 -4.97 116.55 124.25 3if2 n ASP 61 Ca 0.16 -3.03 -0.34 0.00 -0.50 0.00 0.00 54.79 51.09 3if2 n ASP 61 Cb 0.50 -0.70 -0.00 0.00 -1.14 0.00 0.00 41.12 39.78 3if2 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3if2 s ASN 62 N -0.89 5.87 0.62 -1.12 4.22 -1.26 -4.72 114.94 117.65 3if2 s ASN 62 Ca 0.55 1.96 -0.16 0.00 -2.14 0.00 0.00 52.86 53.07 3if2 s ASN 62 Cb 0.42 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 40.38 3if2 s ASN 62 CO 0.15 -1.11 1.10 -1.81 -2.04 0.00 0.00 177.10 173.39 3if2 s ASP 63 N -2.27 5.41 0.12 3.54 1.01 -1.26 -4.92 116.67 118.30 3if2 s ASP 63 Ca 0.67 1.97 -0.35 0.00 0.71 0.00 0.00 52.55 55.55 3if2 s ASP 63 Cb -0.18 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.05 3if2 s ASP 63 CO 0.30 -1.42 1.51 0.41 0.21 0.00 0.00 175.17 176.17 3if2 n THR 64 N -2.13 0.03 -1.16 -1.27 -1.04 -1.26 -2.03 114.28 105.42 3if2 n THR 64 Ca 0.10 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 62.05 3if2 n THR 64 Cb 0.52 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.71 3if2 n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3if2 n GLY 65 N 3.16 0.72 3.32 3.41 0.00 -1.26 -5.01 105.19 109.53 3if2 n GLY 65 Ca 0.18 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3if2 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if2 s LYS 66 N -2.00 1.23 -0.11 1.61 1.02 -0.86 -5.06 119.74 115.57 3if2 s LYS 66 Ca 0.00 -1.37 0.19 0.00 0.02 0.00 0.00 55.97 54.81 3if2 s LYS 66 Cb 0.00 -1.27 0.73 0.00 -0.52 0.00 0.00 37.83 36.77 3if2 s LYS 66 CO 0.00 0.26 1.64 0.00 -0.92 0.00 0.00 175.35 176.33 3if2 n ALA 67 N 0.36 3.07 -0.34 5.17 0.00 -1.26 -4.53 120.51 122.98 3if2 n ALA 67 Ca -0.14 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.72 3if2 n ALA 67 Cb 0.57 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3if2 n ALA 67 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3if2 n ASN 68 N 1.20 3.61 -4.76 0.00 6.94 -1.26 -4.70 115.26 116.28 3if2 n ASN 68 Ca 0.26 -1.95 -0.30 0.00 -0.02 0.00 0.00 54.58 52.57 3if2 n ASN 68 Cb 0.89 -0.76 0.10 0.00 -2.36 0.00 0.00 39.78 37.65 3if2 n ASN 68 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3if2 s SER 69 N 2.00 4.24 0.24 0.53 1.04 -1.26 -4.59 113.70 115.90 3if2 s SER 69 Ca 0.00 1.59 -0.06 0.00 0.48 0.00 0.00 55.95 57.97 3if2 s SER 69 Cb 0.00 -2.31 0.35 0.00 0.10 0.00 0.00 66.02 64.16 3if2 s SER 69 CO 0.00 -2.17 1.81 0.28 0.98 0.00 0.00 173.24 174.15 3if2 h SER 70 N -1.22 0.66 -0.31 7.02 0.02 -1.74 -1.10 113.55 116.87 3if2 h SER 70 Ca -0.46 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 60.59 3if2 h SER 70 Cb 1.25 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 3if2 h SER 70 CO 0.54 0.39 -0.02 0.00 -1.14 0.00 0.00 176.83 176.61 3if2 h ALA 71 N 1.43 0.26 -0.51 3.77 0.00 -1.48 -0.44 119.26 122.29 3if2 h ALA 71 Ca 0.37 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 3if2 h ALA 71 Cb 0.30 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3if2 h ALA 71 CO -0.23 -0.42 0.21 0.82 0.00 0.00 0.00 179.25 179.64 3if2 h ILE 72 N 0.07 1.21 -0.72 0.00 1.08 -1.59 -3.08 117.51 114.48 3if2 h ILE 72 Ca 0.15 -0.64 -0.04 0.00 -0.39 0.00 0.00 64.86 63.94 3if2 h ILE 72 Cb 0.21 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 3if2 h ILE 72 CO -0.27 0.24 0.30 0.40 -0.69 0.00 0.00 178.15 178.13 3if2 h ILE 73 N 0.68 1.25 0.00 -0.67 2.04 -0.91 0.21 117.51 120.11 3if2 h ILE 73 Ca 0.17 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3if2 h ILE 73 Cb 0.18 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3if2 h ILE 73 CO -0.02 0.31 0.00 -0.24 0.00 0.00 0.00 178.15 178.20 3if2 n SER 74 N -4.36 0.22 0.00 1.72 2.88 -0.20 -3.07 113.62 110.80 3if2 n SER 74 Ca 0.06 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 3if2 n SER 74 Cb 0.17 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 3if2 n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3if2 n ALA 76 N 0.21 0.00 -2.83 -1.46 0.00 0.74 -4.82 120.51 112.35 3if2 n ALA 76 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3if2 n ALA 76 Cb 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 3if2 n ALA 76 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3if2 s ASN 77 N 0.00 0.26 0.36 0.00 0.01 -1.17 -5.14 114.94 109.25 3if2 s ASN 77 Ca 0.00 -0.05 -0.27 0.00 -0.71 0.00 0.00 52.86 51.83 3if2 s ASN 77 Cb 0.00 -0.03 -0.09 0.00 0.41 0.00 0.00 41.25 41.54 3if2 s ASN 77 CO 0.00 0.02 1.24 -0.31 -1.51 0.00 0.00 177.10 176.55 3if2 s TYR 78 N -0.08 3.08 0.93 2.20 2.02 -1.26 -5.04 117.35 119.20 3if2 s TYR 78 Ca 0.01 1.49 -0.15 0.00 -0.37 0.00 0.00 57.07 58.05 3if2 s TYR 78 Cb -0.01 -3.56 0.18 0.00 -0.40 0.00 0.00 41.96 38.17 3if2 s TYR 78 CO -0.00 -1.60 1.28 -1.54 -1.57 0.00 0.00 175.55 172.12 3if2 s SER 79 N -0.75 3.37 0.62 2.29 1.04 -1.26 -5.05 113.70 113.97 3if2 s SER 79 Ca 0.52 0.30 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 3if2 s SER 79 Cb -0.36 -0.42 -0.02 0.00 0.10 0.00 0.00 66.02 65.31 3if2 s SER 79 CO 0.47 -2.57 1.16 0.21 0.98 0.00 0.00 173.24 173.49 3if2 s ASN 80 N -4.84 5.14 0.51 7.02 3.84 -1.26 -4.81 114.94 120.54 3if2 s ASN 80 Ca 0.72 2.23 0.22 0.00 0.21 0.00 0.00 52.86 56.24 3if2 s ASN 80 Cb -0.05 -2.58 1.31 0.00 -0.55 0.00 0.00 41.25 39.38 3if2 s ASN 80 CO 0.52 -1.62 2.00 -0.65 -2.79 0.00 0.00 177.10 174.57 3if2 h PRO 81 N 0.55 0.08 0.00 0.43 0.11 -1.90 -0.45 132.00 130.82 3if2 h PRO 81 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3if2 h PRO 81 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3if2 h PRO 81 CO 0.54 0.05 -0.23 0.37 -0.21 0.00 0.00 178.00 178.53 3if2 h GLN 82 N 0.09 0.00 0.00 1.05 4.15 -1.90 -3.39 115.11 115.10 3if2 h GLN 82 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 3if2 h GLN 82 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 3if2 h GLN 82 CO -0.02 0.23 0.00 0.41 -1.93 0.00 0.00 178.83 177.52 3if2 n GLY 83 N -0.83 3.59 3.06 2.39 0.00 -0.18 -0.75 105.19 112.47 3if2 n GLY 83 Ca -0.02 -1.79 -0.56 0.00 0.00 0.00 0.00 46.02 43.64 3if2 n GLY 83 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3if2 n ASP 84 N 0.00 0.70 -0.12 1.61 -0.08 -1.26 -4.26 116.55 113.14 3if2 n ASP 84 Ca 0.00 0.64 -0.05 0.00 -1.51 0.00 0.00 54.79 53.87 3if2 n ASP 84 Cb 0.00 -0.85 0.01 0.00 2.34 0.00 0.00 41.12 42.63 3if2 n ASP 84 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3if2 h SER 85 N 8.50 -0.42 -0.62 1.67 0.02 -1.97 -2.23 113.55 118.50 3if2 h SER 85 Ca -0.09 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3if2 h SER 85 Cb 1.34 0.27 -0.03 0.00 0.14 0.00 0.00 62.40 64.11 3if2 h SER 85 CO 1.03 -0.15 0.40 0.00 -1.14 0.00 0.00 176.83 176.97 3if2 h ALA 86 N 1.36 0.79 -0.52 3.77 0.00 -2.00 -1.12 119.26 121.55 3if2 h ALA 86 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3if2 h ALA 86 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3if2 h ALA 86 CO -0.42 0.19 0.19 0.35 0.00 0.00 0.00 179.25 179.56 3if2 h PHE 87 N 0.82 0.81 -0.39 0.00 3.57 -1.84 -1.38 116.94 118.53 3if2 h PHE 87 Ca 0.23 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3if2 h PHE 87 Cb -0.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 3if2 h PHE 87 CO -0.04 0.68 0.24 0.82 -2.23 0.00 0.00 178.31 177.78 3if2 h ILE 88 N 0.70 1.12 -0.67 1.41 2.04 -1.03 -0.72 117.51 120.38 3if2 h ILE 88 Ca 0.17 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3if2 h ILE 88 Cb 0.23 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3if2 h ILE 88 CO -0.01 0.12 0.41 0.44 0.00 0.00 0.00 178.15 179.11 3if2 h ASP 89 N 0.51 0.79 -0.34 1.72 3.32 -1.05 0.53 116.42 121.90 3if2 h ASP 89 Ca 0.14 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3if2 h ASP 89 Cb -0.01 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3if2 h ASP 89 CO -0.03 0.61 0.18 0.00 -1.72 0.00 0.00 179.24 178.29 3if2 h ALA 90 N 1.21 0.42 -0.73 3.45 0.00 -1.07 -1.82 119.26 120.73 3if2 h ALA 90 Ca 0.24 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3if2 h ALA 90 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3if2 h ALA 90 CO -0.05 -0.18 0.44 -0.07 0.00 0.00 0.00 179.25 179.40 3if2 h LEU 91 N 0.38 0.87 0.21 0.00 3.38 -0.73 0.02 115.31 119.43 3if2 h LEU 91 Ca 0.14 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3if2 h LEU 91 Cb 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3if2 h LEU 91 CO -0.08 0.67 -0.31 0.58 0.09 0.00 0.00 178.44 179.39 3if2 h VAL 92 N 0.99 0.34 -0.28 1.22 2.07 -0.65 -0.13 116.25 119.81 3if2 h VAL 92 Ca 0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.83 3if2 h VAL 92 Cb -0.05 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 3if2 h VAL 92 CO -0.05 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.73 3if2 h GLY 93 N -0.59 0.23 0.59 2.17 0.00 -1.13 -1.65 103.07 102.71 3if2 h GLY 93 Ca 0.01 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3if2 h GLY 93 CO -0.13 -0.08 -0.19 -2.75 0.00 0.00 0.00 176.54 173.39 3if2 h PHE 94 N 0.04 -0.50 -0.63 5.60 3.04 -0.77 0.85 116.94 124.56 3if2 h PHE 94 Ca 0.13 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.02 3if2 h PHE 94 Cb 0.19 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 3if2 h PHE 94 CO -0.24 -0.28 0.09 0.74 -2.02 0.00 0.00 178.31 176.60 3if2 h PHE 95 N -0.33 1.12 -0.48 0.41 0.04 -0.96 -2.10 116.94 114.63 3if2 h PHE 95 Ca 0.04 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 3if2 h PHE 95 Cb 0.38 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3if2 h PHE 95 CO -0.22 0.95 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.46 3if2 h ASN 96 N 0.98 0.82 -0.05 2.17 2.35 -1.11 0.26 115.58 121.00 3if2 h ASN 96 Ca 0.19 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3if2 h ASN 96 Cb 0.44 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3if2 h ASN 96 CO 0.01 0.92 0.03 0.03 -1.65 0.00 0.00 177.43 176.78 3if2 h ARG 97 N 0.76 0.07 0.00 0.81 3.08 -0.72 -2.50 114.38 115.88 3if2 h ARG 97 Ca 0.13 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3if2 h ARG 97 Cb 0.56 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3if2 h ARG 97 CO 0.03 0.13 -0.97 0.45 -1.07 0.00 0.00 179.97 178.54 3if2 h HIS 98 N -0.01 0.00 0.00 3.04 3.86 -1.31 -3.42 115.15 117.32 3if2 h HIS 98 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3if2 h HIS 98 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3if2 h HIS 98 CO -0.05 0.46 -0.19 0.66 0.86 0.00 0.00 177.93 179.67 3if2 n TYR 99 N -2.99 0.00 -3.68 2.45 4.01 0.92 -5.07 117.16 112.80 3if2 n TYR 99 Ca -0.04 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 3if2 n TYR 99 Cb 0.75 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.84 3if2 n TYR 99 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3if2 n ASP 100 N -0.56 -4.75 -0.01 7.72 2.03 -0.94 -4.91 116.55 115.13 3if2 n ASP 100 Ca 0.00 -0.65 0.15 0.00 0.52 0.00 0.00 54.79 54.80 3if2 n ASP 100 Cb 0.00 -4.61 0.72 0.00 -0.72 0.00 0.00 41.12 36.51 3if2 n ASP 100 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 3if2 n TRP 101 N -4.72 0.00 -3.65 -0.67 8.01 -1.26 -4.94 117.44 110.22 3if2 n TRP 101 Ca -0.06 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.89 3if2 n TRP 101 Cb 0.58 -0.29 0.07 0.00 -2.01 0.00 0.00 31.31 29.66 3if2 n TRP 101 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 3if2 n ASN 102 N -1.27 -6.05 -4.80 -0.99 4.13 -1.26 -4.98 115.26 100.05 3if2 n ASN 102 Ca 0.13 -0.58 -0.33 0.00 1.68 0.00 0.00 54.58 55.49 3if2 n ASN 102 Cb 0.26 -4.86 0.02 0.00 -1.54 0.00 0.00 39.78 33.66 3if2 n ASN 102 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3if2 s LEU 103 N -7.29 3.44 0.48 3.41 1.43 -1.26 -5.08 118.68 113.81 3if2 s LEU 103 Ca 0.59 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.55 3if2 s LEU 103 Cb -0.26 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.41 3if2 s LEU 103 CO 0.75 -1.31 0.06 0.42 0.23 0.00 0.00 176.35 176.50 3if2 s THR 104 N -2.47 0.84 0.45 5.49 -4.23 -1.26 -4.97 115.64 109.49 3if2 s THR 104 Ca 0.64 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.47 3if2 s THR 104 Cb -0.17 -2.17 0.35 0.00 1.34 0.00 0.00 72.50 71.85 3if2 s THR 104 CO 0.39 0.00 2.15 0.77 -0.54 0.00 0.00 174.62 177.40 3if2 h SER 105 N 1.49 0.00 0.18 3.99 4.64 -1.94 -2.69 113.55 119.22 3if2 h SER 105 Ca -0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3if2 h SER 105 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3if2 h SER 105 CO 0.65 0.06 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.33 3if2 h GLU 106 N 0.00 0.00 -0.19 4.77 5.08 -1.97 -2.94 114.58 119.33 3if2 h GLU 106 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3if2 h GLU 106 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3if2 h GLU 106 CO 0.01 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 3if2 n ASN 107 N -3.23 2.03 -3.86 1.42 4.13 -1.01 -4.25 115.26 110.49 3if2 n ASN 107 Ca -0.02 -1.76 -0.17 0.00 1.68 0.00 0.00 54.58 54.30 3if2 n ASN 107 Cb 0.12 -0.12 -0.16 0.00 -1.54 0.00 0.00 39.78 38.08 3if2 n ASN 107 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3if2 s ILE 108 N -1.76 0.30 0.13 2.41 1.01 -1.11 -1.14 121.20 121.04 3if2 s ILE 108 Ca 0.34 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.01 3if2 s ILE 108 Cb 0.19 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 3if2 s ILE 108 CO 0.28 0.16 -0.11 0.00 0.00 0.00 0.00 174.94 175.27 3if2 s ALA 109 N 0.81 1.34 0.06 9.38 0.00 -0.79 -4.94 121.76 127.62 3if2 s ALA 109 Ca -0.09 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.57 3if2 s ALA 109 Cb -0.12 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3if2 s ALA 109 CO -0.01 -0.05 -0.10 -0.51 0.00 0.00 0.00 175.76 175.09 3if2 s LEU 110 N -2.82 3.01 0.26 0.00 1.43 0.07 -1.12 118.68 119.52 3if2 s LEU 110 Ca 0.12 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3if2 s LEU 110 Cb -0.00 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3if2 s LEU 110 CO 0.01 0.22 0.06 0.42 0.23 0.00 0.00 176.35 177.28 3if2 s THR 111 N -1.10 0.85 -1.43 5.49 -4.23 -0.59 -4.65 115.64 109.98 3if2 s THR 111 Ca 0.19 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.56 3if2 s THR 111 Cb -0.11 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.22 3if2 s THR 111 CO 0.10 -0.11 2.19 0.59 -0.54 0.00 0.00 174.62 176.85 3if2 n ASN 112 N -0.50 4.37 0.00 3.99 3.02 -1.26 -1.31 115.26 123.58 3if2 n ASN 112 Ca -0.02 -2.89 0.00 0.00 -0.03 0.00 0.00 54.58 51.64 3if2 n ASN 112 Cb 0.66 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3if2 n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3if2 n GLY 113 N 3.78 -0.91 0.27 7.41 0.00 -0.72 -4.22 105.19 110.81 3if2 n GLY 113 Ca 0.51 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 45.07 3if2 n GLY 113 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3if2 h SER 114 N 0.00 0.00 -0.78 1.61 4.64 -1.82 -2.67 113.55 114.53 3if2 h SER 114 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3if2 h SER 114 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3if2 h SER 114 CO 0.00 0.09 0.51 -0.61 -0.87 0.00 0.00 176.83 175.94 3if2 h GLN 115 N 0.00 0.98 -0.85 4.77 5.75 -1.97 -0.25 115.11 123.54 3if2 h GLN 115 Ca -0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3if2 h GLN 115 Cb 0.29 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3if2 h GLN 115 CO 0.01 0.65 0.48 -0.97 -2.65 0.00 0.00 178.83 176.35 3if2 h ASN 116 N 1.01 1.05 -0.81 -0.69 -0.00 -1.65 -0.63 115.58 113.87 3if2 h ASN 116 Ca 0.30 -0.09 0.01 0.00 -0.00 0.00 0.00 56.30 56.52 3if2 h ASN 116 Cb -0.05 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 37.96 3if2 h ASN 116 CO -0.09 0.83 0.53 0.00 -0.00 0.00 0.00 177.43 178.70 3if2 h ALA 117 N 1.26 1.03 -0.10 1.57 0.00 -1.10 -2.00 119.26 119.91 3if2 h ALA 117 Ca 0.30 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 3if2 h ALA 117 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3if2 h ALA 117 CO -0.05 0.42 -0.72 0.74 0.00 0.00 0.00 179.25 179.64 3if2 h PHE 118 N 1.08 0.65 -0.79 0.00 0.04 -0.54 0.88 116.94 118.26 3if2 h PHE 118 Ca 0.30 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 60.83 3if2 h PHE 118 Cb -0.10 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 3if2 h PHE 118 CO -0.02 1.05 0.50 0.35 -0.60 0.00 0.00 178.31 179.59 3if2 h PHE 119 N 0.34 0.92 0.47 -0.55 3.57 -0.98 0.39 116.94 121.10 3if2 h PHE 119 Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3if2 h PHE 119 Cb 1.30 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3if2 h PHE 119 CO 0.05 0.50 -0.23 1.88 -2.23 0.00 0.00 178.31 178.29 3if2 h TYR 120 N 0.94 -0.58 -0.86 0.41 0.05 -1.11 -3.12 116.97 112.69 3if2 h TYR 120 Ca 0.33 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.12 3if2 h TYR 120 Cb 0.07 0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.96 3if2 h TYR 120 CO -0.04 -0.29 0.56 -0.07 -1.05 0.00 0.00 178.16 177.28 3if2 h LEU 121 N -1.07 0.95 -0.65 3.88 3.38 -0.75 0.33 115.31 121.37 3if2 h LEU 121 Ca -0.06 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 3if2 h LEU 121 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3if2 h LEU 121 CO 0.11 0.67 -0.65 -0.26 0.09 0.00 0.00 178.44 178.40 3if2 h PHE 122 N 1.12 0.17 0.00 1.13 0.04 -1.06 -1.47 116.94 116.87 3if2 h PHE 122 Ca 0.33 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.99 3if2 h PHE 122 Cb -0.06 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3if2 h PHE 122 CO -0.02 0.74 -0.30 -0.91 -0.60 0.00 0.00 178.31 177.22 3if2 h ASN 123 N 0.09 0.00 0.20 2.17 2.35 -1.42 -0.47 115.58 118.50 3if2 h ASN 123 Ca -0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.53 3if2 h ASN 123 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3if2 h ASN 123 CO 0.09 0.20 -0.84 0.25 -1.65 0.00 0.00 177.43 175.48 3if2 h LEU 124 N 0.00 0.61 -2.81 1.61 5.85 -0.04 -3.36 115.31 117.17 3if2 h LEU 124 Ca -0.01 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3if2 h LEU 124 Cb 1.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3if2 h LEU 124 CO 0.02 1.22 0.00 0.49 -0.34 0.00 0.00 178.44 179.83 3if2 n PHE 125 N -3.82 0.15 -4.02 1.25 3.72 -0.58 -5.04 117.46 109.13 3if2 n PHE 125 Ca -0.06 -0.46 -0.08 0.00 -0.05 0.00 0.00 57.45 56.80 3if2 n PHE 125 Cb 0.78 -0.04 -0.10 0.00 -0.94 0.00 0.00 39.48 39.18 3if2 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3if2 s GLY 126 N -0.94 0.33 0.00 1.37 0.00 -0.19 -3.98 107.32 103.91 3if2 s GLY 126 Ca 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3if2 s GLY 126 CO 0.06 -0.99 0.00 0.61 0.00 0.00 0.00 173.10 172.77 3if2 n GLY 127 N 0.61 -0.80 3.70 0.20 0.00 -0.37 -4.46 105.19 104.07 3if2 n GLY 127 Ca -0.18 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 3if2 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if2 s ALA 128 N -1.98 3.54 0.21 4.61 0.00 -1.26 -1.27 121.76 125.60 3if2 s ALA 128 Ca 0.00 0.96 0.11 0.00 0.00 0.00 0.00 51.96 53.03 3if2 s ALA 128 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3if2 s ALA 128 CO 0.00 -0.69 -0.19 -0.06 0.00 0.00 0.00 175.76 174.82 3if2 s PHE 129 N 1.59 2.40 0.11 0.00 0.40 0.26 -4.96 117.98 117.78 3if2 s PHE 129 Ca 0.63 -0.31 -0.31 0.00 -0.60 0.00 0.00 56.93 56.34 3if2 s PHE 129 Cb -0.33 -1.16 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 3if2 s PHE 129 CO 0.28 0.54 1.28 0.08 0.70 0.00 0.00 175.22 178.11 3if2 s VAL 130 N -1.84 3.64 0.60 -0.44 1.01 -1.26 -0.60 120.40 121.51 3if2 s VAL 130 Ca 0.24 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 3if2 s VAL 130 Cb -0.08 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3if2 s VAL 130 CO 0.12 0.11 1.04 0.21 0.00 0.00 0.00 175.10 176.58 3if2 s ASN 131 N 0.91 5.97 -0.28 3.32 2.47 -1.26 -4.77 114.94 121.30 3if2 s ASN 131 Ca 0.60 1.64 0.08 0.00 0.42 0.00 0.00 52.86 55.60 3if2 s ASN 131 Cb -0.33 -2.51 0.28 0.00 -1.45 0.00 0.00 41.25 37.24 3if2 s ASN 131 CO 0.31 -1.04 1.24 -1.84 -3.72 0.00 0.00 177.10 172.05 3if2 n GLU 132 N -2.31 0.92 0.21 0.43 0.28 -1.26 -4.94 120.64 113.97 3if2 n GLU 132 Ca 0.07 -1.04 0.09 0.00 -0.16 0.00 0.00 57.16 56.13 3if2 n GLU 132 Cb 0.53 0.19 0.36 0.00 1.43 0.00 0.00 31.44 33.96 3if2 n GLU 132 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3if2 h LYS 140 N 1.03 0.00 -4.26 3.44 3.64 -2.02 -3.55 116.57 114.86 3if2 h LYS 140 Ca -0.34 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.89 3if2 h LYS 140 Cb 1.23 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.91 3if2 h LYS 140 CO -0.13 0.23 -0.59 -1.54 -2.27 0.00 0.00 179.45 175.16 3if2 s SER 141 N -6.20 0.30 -0.10 4.20 1.04 -1.26 -4.82 113.70 106.86 3if2 s SER 141 Ca 0.02 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.31 3if2 s SER 141 Cb 0.09 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.54 3if2 s SER 141 CO 0.65 -0.72 0.25 0.54 0.98 0.00 0.00 173.24 174.94 3if2 s VAL 142 N -3.99 -0.01 0.21 5.02 0.11 0.23 -4.77 120.40 117.19 3if2 s VAL 142 Ca 0.17 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 3if2 s VAL 142 Cb 0.07 -0.36 -0.08 0.00 -1.53 0.00 0.00 36.38 34.47 3if2 s VAL 142 CO -0.02 0.02 0.99 -1.81 -3.33 0.00 0.00 175.10 170.95 3if2 s ASP 143 N 0.49 7.50 0.14 3.54 1.01 -1.26 -0.57 116.67 127.51 3if2 s ASP 143 Ca -0.03 1.98 0.09 0.00 0.71 0.00 0.00 52.55 55.30 3if2 s ASP 143 Cb -0.04 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3if2 s ASP 143 CO -0.03 0.01 -0.20 -0.54 0.21 0.00 0.00 175.17 174.62 3if2 s LYS 144 N -0.83 1.23 0.26 8.23 1.02 -0.40 -4.86 119.74 124.40 3if2 s LYS 144 Ca 0.44 -1.30 0.11 0.00 0.02 0.00 0.00 55.97 55.24 3if2 s LYS 144 Cb -0.27 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 3if2 s LYS 144 CO 0.33 0.31 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.84 3if2 s SER 145 N -2.29 4.03 -0.27 2.83 0.01 -0.80 -1.24 113.70 115.97 3if2 s SER 145 Ca 0.12 -0.83 -0.20 0.00 1.31 0.00 0.00 55.95 56.35 3if2 s SER 145 Cb -0.08 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 3if2 s SER 145 CO 0.06 0.03 0.60 -0.63 0.41 0.00 0.00 173.24 173.71 3if2 s ILE 146 N -2.33 4.99 -0.23 1.44 -1.09 -0.37 -1.17 121.20 122.44 3if2 s ILE 146 Ca 0.30 0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 59.43 3if2 s ILE 146 Cb -0.06 -3.93 -0.00 0.00 -1.58 0.00 0.00 42.46 36.89 3if2 s ILE 146 CO 0.17 -0.01 0.91 -0.22 -1.23 0.00 0.00 174.94 174.56 3if2 s LEU 147 N 2.48 4.10 -0.45 2.97 2.96 0.11 -2.14 118.68 128.71 3if2 s LEU 147 Ca 0.24 1.18 -0.16 0.00 -0.22 0.00 0.00 54.13 55.18 3if2 s LEU 147 Cb -0.15 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.26 3if2 s LEU 147 CO 0.10 -0.56 0.40 -0.76 -1.32 0.00 0.00 176.35 174.21 3if2 s LEU 148 N 2.90 5.32 0.20 -0.68 1.43 -0.32 -0.71 118.68 126.81 3if2 s LEU 148 Ca 0.39 -1.09 0.21 0.00 -1.03 0.00 0.00 54.13 52.61 3if2 s LEU 148 Cb -0.15 -2.23 0.88 0.00 0.03 0.00 0.00 46.19 44.71 3if2 s LEU 148 CO 0.07 -0.62 1.63 -0.81 0.23 0.00 0.00 176.35 176.85 3if2 n PRO 149 N 5.36 0.14 -3.66 1.29 -0.04 -1.26 -1.79 135.00 135.04 3if2 n PRO 149 Ca -0.11 0.40 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3if2 n PRO 149 Cb 0.45 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 3if2 n PRO 149 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3if2 s LEU 150 N -4.09 -0.64 0.26 1.53 0.20 -1.26 -4.53 118.68 110.14 3if2 s LEU 150 Ca 0.04 1.33 0.11 0.00 0.69 0.00 0.00 54.13 56.30 3if2 s LEU 150 Cb 0.09 2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 47.93 3if2 s LEU 150 CO 0.33 -0.23 -0.11 0.42 -0.29 0.00 0.00 176.35 176.48 3if2 s THR 151 N 1.26 2.95 0.62 3.68 -4.23 -1.07 -4.54 115.64 114.31 3if2 s THR 151 Ca -0.07 -2.09 -0.19 0.00 -1.18 0.00 0.00 61.69 58.15 3if2 s THR 151 Cb -0.06 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 3if2 s THR 151 CO -0.13 -0.33 1.31 -2.84 -0.54 0.00 0.00 174.62 172.09 3if2 s PRO 152 N -3.43 2.72 0.28 3.99 0.02 -1.26 -3.99 135.00 133.32 3if2 s PRO 152 Ca 0.29 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.46 3if2 s PRO 152 Cb -0.06 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 3if2 s PRO 152 CO 0.17 -1.48 0.19 -1.21 -0.33 0.00 0.00 177.00 174.34 3if2 s GLU 153 N -3.25 1.52 -0.06 5.54 0.41 -0.30 -4.78 118.70 117.79 3if2 s GLU 153 Ca 0.80 -1.85 -0.35 0.00 -0.41 0.00 0.00 54.97 53.16 3if2 s GLU 153 Cb -0.38 0.19 -0.12 0.00 -1.78 0.00 0.00 34.13 32.03 3if2 s GLU 153 CO 0.42 -0.50 1.81 0.98 -0.49 0.00 0.00 175.26 177.48 3if2 n TYR 154 N -0.49 2.29 -0.24 1.61 9.36 -0.64 -4.50 117.16 124.55 3if2 n TYR 154 Ca 0.04 0.08 0.17 0.00 3.32 0.00 0.00 57.90 61.50 3if2 n TYR 154 Cb 0.64 -2.63 0.47 0.00 -0.63 0.00 0.00 39.34 37.20 3if2 n TYR 154 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 3if2 h ILE 155 N 5.11 0.73 0.00 2.97 2.10 -1.82 -2.65 117.51 123.95 3if2 h ILE 155 Ca -0.48 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.29 3if2 h ILE 155 Cb 1.27 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 3if2 h ILE 155 CO 0.94 0.09 0.00 1.23 -1.08 0.00 0.00 178.15 179.33 3if2 h GLY 156 N 0.49 0.00 1.48 8.18 0.00 -1.92 -2.88 103.07 108.43 3if2 h GLY 156 Ca 0.45 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.64 3if2 h GLY 156 CO -0.19 0.00 -0.49 -0.97 0.00 0.00 0.00 176.54 174.90 3if2 h TYR 157 N 0.00 0.68 -0.59 5.60 0.05 -1.86 -3.41 116.97 117.44 3if2 h TYR 157 Ca 0.00 -0.22 0.09 0.00 0.05 0.00 0.00 58.73 58.65 3if2 h TYR 157 Cb 0.33 -0.14 -0.09 0.00 1.01 0.00 0.00 36.73 37.84 3if2 h TYR 157 CO 0.00 0.93 -0.24 0.43 -1.05 0.00 0.00 178.16 178.23 3if2 n SER 158 N -3.99 -0.40 -0.48 3.88 7.64 -1.09 -3.14 113.62 116.04 3if2 n SER 158 Ca -0.02 1.03 0.07 0.00 1.01 0.00 0.00 58.87 60.96 3if2 n SER 158 Cb 0.57 -0.23 0.17 0.00 -1.01 0.00 0.00 64.21 63.70 3if2 n SER 158 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3if2 n ASP 159 N -4.86 2.99 0.20 6.43 8.00 -1.26 -4.72 116.55 123.33 3if2 n ASP 159 Ca 0.06 -2.67 0.14 0.00 0.71 0.00 0.00 54.79 53.03 3if2 n ASP 159 Cb 0.23 -0.37 0.48 0.00 -0.02 0.00 0.00 41.12 41.45 3if2 n ASP 159 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3if2 h VAL 160 N 1.09 0.00 -3.80 2.53 -1.51 -1.81 -3.45 116.25 109.29 3if2 h VAL 160 Ca 0.00 -0.55 -0.53 0.00 -1.23 0.00 0.00 66.70 64.39 3if2 h VAL 160 Cb 1.04 1.49 0.08 0.00 -2.13 0.00 0.00 31.29 31.77 3if2 h VAL 160 CO 0.08 0.00 0.71 -1.00 -1.23 0.00 0.00 177.57 176.14 3if2 s HIS 161 N -3.40 2.88 0.22 5.19 3.76 -1.26 -4.83 115.29 117.85 3if2 s HIS 161 Ca 0.05 1.25 -0.01 0.00 -0.15 0.00 0.00 55.06 56.20 3if2 s HIS 161 Cb 0.09 -3.83 0.20 0.00 1.11 0.00 0.00 32.58 30.15 3if2 s HIS 161 CO 0.55 -2.42 1.57 0.28 -0.85 0.00 0.00 174.74 173.87 3if2 h VAL 162 N 3.11 1.31 -3.38 -0.90 2.07 -1.95 -3.43 116.25 113.08 3if2 h VAL 162 Ca -0.49 -1.67 -0.47 0.00 0.82 0.00 0.00 66.70 64.89 3if2 h VAL 162 Cb 1.23 1.67 -0.35 0.00 -1.52 0.00 0.00 31.29 32.32 3if2 h VAL 162 CO 0.67 0.52 -0.79 -0.70 0.02 0.00 0.00 177.57 177.29 3if2 s GLU 163 N -4.12 1.25 4.13 1.57 2.12 -1.26 -4.87 118.70 117.52 3if2 s GLU 163 Ca -0.07 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.04 3if2 s GLU 163 Cb 0.12 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.32 3if2 s GLU 163 CO 0.82 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.86 3if2 n GLY 164 N 4.21 1.01 3.16 -1.50 0.00 -1.26 -4.81 105.19 105.99 3if2 n GLY 164 Ca -0.20 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 3if2 n GLY 164 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3if2 s GLN 165 N 0.00 0.29 -0.49 1.61 0.74 -1.26 -4.71 119.66 115.84 3if2 s GLN 165 Ca 0.00 0.68 0.08 0.00 0.05 0.00 0.00 55.36 56.16 3if2 s GLN 165 Cb 0.00 -0.06 0.28 0.00 1.10 0.00 0.00 33.01 34.33 3if2 s GLN 165 CO 0.00 -0.17 0.67 0.72 -0.55 0.00 0.00 175.29 175.96 3if2 n HIS 166 N 4.36 1.51 -5.11 1.67 8.25 -1.26 -5.05 115.22 119.58 3if2 n HIS 166 Ca -0.23 -3.84 -0.29 0.00 -0.26 0.00 0.00 57.72 53.10 3if2 n HIS 166 Cb 0.54 -0.44 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 3if2 n HIS 166 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3if2 s PHE 167 N -2.05 2.11 -0.27 4.41 0.08 -1.26 -1.23 117.98 119.76 3if2 s PHE 167 Ca 0.39 -0.53 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 3if2 s PHE 167 Cb 0.20 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.31 3if2 s PHE 167 CO -0.08 -0.13 -0.04 0.00 -0.10 0.00 0.00 175.22 174.87 3if2 s ALA 168 N -0.26 2.74 -0.09 5.36 0.00 -0.91 -4.69 121.76 123.91 3if2 s ALA 168 Ca 0.01 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.35 3if2 s ALA 168 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3if2 s ALA 168 CO 0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 175.76 174.69 3if2 s ALA 169 N 1.28 3.09 -0.17 0.00 0.00 -1.26 -1.18 121.76 123.52 3if2 s ALA 169 Ca -0.03 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 3if2 s ALA 169 Cb -0.18 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3if2 s ALA 169 CO -0.03 0.50 0.05 0.08 0.00 0.00 0.00 175.76 176.35 3if2 s VAL 170 N -0.57 4.66 0.58 0.00 1.01 -0.74 -4.98 120.40 120.37 3if2 s VAL 170 Ca 0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 3if2 s VAL 170 Cb -0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3if2 s VAL 170 CO 0.02 0.47 1.08 -0.76 0.00 0.00 0.00 175.10 175.91 3if2 s LEU 171 N 0.30 3.57 0.35 3.92 1.43 -1.26 -2.59 118.68 124.39 3if2 s LEU 171 Ca 0.02 1.93 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 3if2 s LEU 171 Cb -0.13 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.50 3if2 s LEU 171 CO 0.01 -1.21 0.62 -2.16 0.23 0.00 0.00 176.35 173.83 3if2 s PRO 172 N -3.83 3.60 0.23 1.29 0.04 -1.26 -4.42 135.00 130.66 3if2 s PRO 172 Ca 0.66 0.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.61 3if2 s PRO 172 Cb -0.18 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 3if2 s PRO 172 CO 0.34 0.10 0.59 -1.58 0.04 0.00 0.00 177.00 176.48 3if2 s HIS 173 N -2.28 3.46 -0.13 0.56 2.46 -0.55 -4.93 115.29 113.88 3if2 s HIS 173 Ca 0.45 0.98 0.03 0.00 0.47 0.00 0.00 55.06 56.99 3if2 s HIS 173 Cb -0.10 -2.34 0.01 0.00 -0.13 0.00 0.00 32.58 30.02 3if2 s HIS 173 CO 0.34 0.27 -0.21 0.42 -2.47 0.00 0.00 174.74 173.09 3if2 s ILE 174 N -1.77 1.95 -0.02 0.89 1.01 -1.26 -0.85 121.20 121.15 3if2 s ILE 174 Ca 0.47 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 60.26 3if2 s ILE 174 Cb -0.12 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3if2 s ILE 174 CO 0.20 0.53 -0.22 1.51 0.00 0.00 0.00 174.94 176.96 3if2 s ASP 175 N 0.75 2.63 -0.11 3.58 1.47 -0.92 -5.00 116.67 119.07 3if2 s ASP 175 Ca -0.09 -0.41 -0.29 0.00 1.18 0.00 0.00 52.55 52.94 3if2 s ASP 175 Cb -0.16 -0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.03 3if2 s ASP 175 CO 0.00 0.26 0.96 -1.61 0.68 0.00 0.00 175.17 175.47 3if2 s GLU 176 N -0.44 4.40 0.42 2.11 2.02 -1.26 -1.21 118.70 124.75 3if2 s GLU 176 Ca 0.06 1.30 0.03 0.00 0.02 0.00 0.00 54.97 56.39 3if2 s GLU 176 Cb -0.09 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 3if2 s GLU 176 CO -0.00 -0.29 0.06 0.14 0.02 0.00 0.00 175.26 175.19 3if2 s VAL 177 N 1.96 1.07 0.23 2.63 -7.23 -1.00 -4.96 120.40 113.10 3if2 s VAL 177 Ca 0.46 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.72 3if2 s VAL 177 Cb -0.18 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3if2 s VAL 177 CO 0.17 0.00 -0.01 0.28 -0.31 0.00 0.00 175.10 175.23 3if2 s THR 178 N -3.06 3.50 -0.14 5.32 -1.32 -1.26 -3.84 115.64 114.82 3if2 s THR 178 Ca 0.22 -1.76 -0.05 0.00 -1.21 0.00 0.00 61.69 58.89 3if2 s THR 178 Cb 0.04 -2.83 0.07 0.00 -1.51 0.00 0.00 72.50 68.28 3if2 s THR 178 CO 0.12 -0.28 0.29 -2.28 -2.21 0.00 0.00 174.62 170.25 3if2 s HIS 179 N -2.11 -0.48 -1.23 9.09 5.04 0.24 -4.94 115.29 120.90 3if2 s HIS 179 Ca 0.30 1.02 -0.04 0.00 -1.54 0.00 0.00 55.06 54.80 3if2 s HIS 179 Cb -0.07 0.00 -0.01 0.00 0.04 0.00 0.00 32.58 32.54 3if2 s HIS 179 CO 0.19 -0.39 0.77 -0.25 -2.34 0.00 0.00 174.74 172.71 3if2 n ASP 180 N 5.36 -2.69 -1.42 9.88 8.00 -1.26 -2.17 116.55 132.24 3if2 n ASP 180 Ca -0.06 -0.83 -0.18 0.00 0.71 0.00 0.00 54.79 54.44 3if2 n ASP 180 Cb 0.50 -4.18 -0.07 0.00 -0.02 0.00 0.00 41.12 37.35 3if2 n ASP 180 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3if2 n GLY 181 N -1.51 1.50 3.14 0.44 0.00 -1.26 -4.99 105.19 102.50 3if2 n GLY 181 Ca -0.23 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 3if2 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3if2 s GLU 182 N -3.65 0.75 0.57 1.61 2.02 -0.92 -5.16 118.70 113.92 3if2 s GLU 182 Ca 0.00 -1.01 0.09 0.00 0.02 0.00 0.00 54.97 54.07 3if2 s GLU 182 Cb 0.00 -0.49 0.08 0.00 0.10 0.00 0.00 34.13 33.82 3if2 s GLU 182 CO 0.00 0.08 0.74 -1.21 0.02 0.00 0.00 175.26 174.89 3if2 s GLU 183 N -2.31 2.31 0.00 1.61 2.02 -1.26 -0.59 118.70 120.47 3if2 s GLU 183 Ca -0.00 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.30 3if2 s GLU 183 Cb -0.06 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.60 3if2 s GLU 183 CO 0.00 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.87 3if2 n GLY 184 N -2.18 1.18 3.33 -1.39 0.00 -1.26 -4.92 105.19 99.95 3if2 n GLY 184 Ca 0.13 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 3if2 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3if2 s PHE 185 N -2.00 1.57 0.17 1.61 0.40 -1.25 -1.60 117.98 116.88 3if2 s PHE 185 Ca 0.00 -0.77 -0.16 0.00 -0.60 0.00 0.00 56.93 55.41 3if2 s PHE 185 Cb 0.00 -0.84 0.02 0.00 0.51 0.00 0.00 43.02 42.71 3if2 s PHE 185 CO 0.00 0.13 0.45 -0.59 0.70 0.00 0.00 175.22 175.91 3if2 s PHE 186 N -3.23 -0.04 -0.04 0.36 -0.71 -0.99 -2.38 117.98 110.95 3if2 s PHE 186 Ca 0.24 -0.30 -0.01 0.00 -1.04 0.00 0.00 56.93 55.82 3if2 s PHE 186 Cb 0.03 0.28 0.03 0.00 -1.21 0.00 0.00 43.02 42.15 3if2 s PHE 186 CO 0.06 -0.83 0.02 0.21 -1.34 0.00 0.00 175.22 173.34 3if2 s LYS 187 N -3.87 0.23 0.35 1.99 2.20 -0.35 -0.84 119.74 119.45 3if2 s LYS 187 Ca 0.09 0.17 -0.27 0.00 -0.36 0.00 0.00 55.97 55.60 3if2 s LYS 187 Cb 0.00 -0.55 -0.09 0.00 -1.51 0.00 0.00 37.83 35.68 3if2 s LYS 187 CO -0.04 -0.21 1.15 0.71 -0.36 0.00 0.00 175.35 176.59 3if2 s TYR 188 N 1.47 3.25 0.02 4.03 2.02 -1.26 -2.17 117.35 124.72 3if2 s TYR 188 Ca -0.04 1.59 0.03 0.00 -0.37 0.00 0.00 57.07 58.29 3if2 s TYR 188 Cb -0.13 -3.36 -0.02 0.00 -0.40 0.00 0.00 41.96 38.05 3if2 s TYR 188 CO -0.03 -1.05 -0.09 1.03 -1.57 0.00 0.00 175.55 173.84 3if2 s ARG 189 N -1.98 0.62 0.07 -0.62 0.52 -0.03 -4.97 118.95 112.56 3if2 s ARG 189 Ca 0.52 -0.56 -0.31 0.00 -0.52 0.00 0.00 55.73 54.87 3if2 s ARG 189 Cb -0.31 -0.53 -0.08 0.00 0.52 0.00 0.00 34.95 34.55 3if2 s ARG 189 CO 0.40 0.13 1.50 0.08 0.02 0.00 0.00 175.30 177.42 3if2 s VAL 190 N -0.78 3.25 -0.95 3.52 1.01 -1.26 -1.48 120.40 123.70 3if2 s VAL 190 Ca -0.02 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 3if2 s VAL 190 Cb -0.07 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.95 3if2 s VAL 190 CO 0.00 0.02 1.16 -0.62 0.00 0.00 0.00 175.10 175.66 3if2 s ASP 191 N 1.72 6.66 0.41 3.32 2.15 -1.26 -4.86 116.67 124.81 3if2 s ASP 191 Ca 0.68 -2.12 0.19 0.00 0.43 0.00 0.00 52.55 51.73 3if2 s ASP 191 Cb -0.37 -2.40 0.89 0.00 -0.30 0.00 0.00 42.92 40.74 3if2 s ASP 191 CO 0.30 -1.04 1.85 -0.26 -0.17 0.00 0.00 175.17 175.85 3if2 h PHE 192 N 8.70 0.00 0.35 -5.34 0.04 -1.93 -2.29 116.94 116.47 3if2 h PHE 192 Ca 0.17 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 3if2 h PHE 192 Cb 1.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 3if2 h PHE 192 CO 1.16 0.31 -0.19 1.49 -0.60 0.00 0.00 178.31 180.48 3if2 h GLU 193 N 0.00 -0.49 -0.40 1.51 4.57 -1.99 -1.20 114.58 116.58 3if2 h GLU 193 Ca -0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3if2 h GLU 193 Cb 0.67 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.36 3if2 h GLU 193 CO 0.04 -0.33 0.15 0.00 -1.18 0.00 0.00 179.01 177.70 3if2 h ALA 194 N 0.14 0.52 -0.06 2.92 0.00 -1.96 -2.99 119.26 117.83 3if2 h ALA 194 Ca -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3if2 h ALA 194 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3if2 h ALA 194 CO 0.06 0.13 -0.01 1.25 0.00 0.00 0.00 179.25 180.68 3if2 h LEU 195 N 0.50 0.11 -1.42 0.00 6.46 -1.41 -2.41 115.31 117.14 3if2 h LEU 195 Ca 0.13 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 3if2 h LEU 195 Cb 0.20 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3if2 h LEU 195 CO -0.01 0.43 -0.10 -0.08 -0.62 0.00 0.00 178.44 178.06 3if2 h GLU 196 N -0.21 0.00 -0.18 1.25 4.81 -1.28 -2.20 114.58 116.78 3if2 h GLU 196 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3if2 h GLU 196 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3if2 h GLU 196 CO 0.00 0.10 0.00 0.09 -0.73 0.00 0.00 179.01 178.47 3if2 n ASN 197 N -3.26 3.11 -4.68 1.04 3.02 -1.13 -4.80 115.26 108.56 3if2 n ASN 197 Ca 0.00 -1.96 -0.45 0.00 -0.03 0.00 0.00 54.58 52.14 3if2 n ASN 197 Cb 0.34 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3if2 n ASN 197 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3if2 n LEU 198 N 1.34 3.66 -0.33 3.41 7.94 -0.83 -4.89 117.00 127.30 3if2 n LEU 198 Ca 0.16 0.98 0.06 0.00 -1.11 0.00 0.00 56.01 56.10 3if2 n LEU 198 Cb 0.58 -1.45 0.22 0.00 0.53 0.00 0.00 43.42 43.30 3if2 n LEU 198 CO 0.15 0.01 1.19 -0.65 -1.11 0.00 0.00 177.39 176.98 3if2 h PRO 199 N 8.78 0.86 -0.96 1.96 0.11 -1.91 -1.76 132.00 139.09 3if2 h PRO 199 Ca -0.48 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.69 3if2 h PRO 199 Cb 1.25 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 3if2 h PRO 199 CO 0.94 0.57 0.60 0.00 -0.21 0.00 0.00 178.00 179.89 3if2 h ALA 200 N 1.52 1.41 0.11 -0.75 0.00 -1.93 0.08 119.26 119.71 3if2 h ALA 200 Ca 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 3if2 h ALA 200 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3if2 h ALA 200 CO -0.28 0.23 -0.05 1.25 0.00 0.00 0.00 179.25 180.40 3if2 h LEU 201 N 0.98 -0.13 -0.70 0.00 5.85 -1.68 0.88 115.31 120.52 3if2 h LEU 201 Ca 0.46 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3if2 h LEU 201 Cb 0.40 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3if2 h LEU 201 CO -0.25 0.34 0.43 0.11 -0.34 0.00 0.00 178.44 178.74 3if2 h LYS 202 N -0.63 0.82 -0.01 1.25 1.57 -1.28 -3.10 116.57 115.19 3if2 h LYS 202 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3if2 h LYS 202 Cb 0.50 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3if2 h LYS 202 CO 0.03 0.55 0.00 0.39 -0.57 0.00 0.00 179.45 179.84 3if2 n GLU 203 N -4.67 1.06 -1.71 3.15 1.02 0.00 -4.93 120.64 114.57 3if2 n GLU 203 Ca 0.07 -0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.11 3if2 n GLU 203 Cb 0.09 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3if2 n GLU 203 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3if2 n GLY 204 N 0.90 0.37 1.34 0.62 0.00 -1.12 -4.98 105.19 102.32 3if2 n GLY 204 Ca 0.18 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 3if2 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if2 n ARG 205 N -1.71 2.70 -4.10 1.61 1.74 0.29 -4.89 116.66 112.30 3if2 n ARG 205 Ca -0.01 -3.03 -0.33 0.00 -0.77 0.00 0.00 57.85 53.70 3if2 n ARG 205 Cb 0.36 -1.95 -0.16 0.00 -1.02 0.00 0.00 32.46 29.70 3if2 n ARG 205 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3if2 s ILE 206 N -3.05 2.16 0.03 0.55 -1.09 -1.23 -1.91 121.20 116.66 3if2 s ILE 206 Ca 0.47 -0.97 0.10 0.00 -2.23 0.00 0.00 60.65 58.03 3if2 s ILE 206 Cb 0.40 -1.94 -0.19 0.00 -1.58 0.00 0.00 42.46 39.15 3if2 s ILE 206 CO 0.07 0.49 1.06 1.23 -1.23 0.00 0.00 174.94 176.56 3if2 h GLY 207 N 7.94 0.00 -2.72 6.18 0.00 -1.27 -3.46 103.07 109.74 3if2 h GLY 207 Ca -0.44 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.93 3if2 h GLY 207 CO 0.62 0.00 0.28 0.00 0.00 0.00 0.00 176.54 177.44 3if2 s ALA 208 N -2.71 -1.53 -0.06 3.60 0.00 -1.25 -4.36 121.76 115.45 3if2 s ALA 208 Ca -0.01 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3if2 s ALA 208 Cb 0.09 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 3if2 s ALA 208 CO 0.81 -0.86 -0.10 0.42 0.00 0.00 0.00 175.76 176.04 3if2 s ILE 209 N -3.67 3.44 -0.02 0.00 1.01 -0.42 -0.71 121.20 120.82 3if2 s ILE 209 Ca 0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3if2 s ILE 209 Cb -0.02 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3if2 s ILE 209 CO -0.06 0.59 0.10 0.00 0.00 0.00 0.00 174.94 175.58 3if2 s SER 212 N -2.52 6.40 -0.28 0.00 1.04 -1.26 -1.25 113.70 115.84 3if2 s SER 212 Ca 0.01 0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 3if2 s SER 212 Cb -0.01 -2.09 0.13 0.00 0.10 0.00 0.00 66.02 64.15 3if2 s SER 212 CO -0.10 0.37 0.28 -0.60 0.98 0.00 0.00 173.24 174.17 3if2 s ARG 213 N -0.85 0.30 0.85 4.02 3.52 -0.59 -3.53 118.95 122.68 3if2 s ARG 213 Ca 0.15 -0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.53 3if2 s ARG 213 Cb -0.12 -0.75 0.10 0.00 -1.56 0.00 0.00 34.95 32.62 3if2 s ARG 213 CO 0.04 -0.98 1.11 -1.25 -0.81 0.00 0.00 175.30 173.41 3if2 s PRO 214 N 2.34 1.61 -0.03 5.12 0.04 -1.26 -4.07 135.00 138.75 3if2 s PRO 214 Ca 0.09 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 3if2 s PRO 214 Cb -0.14 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3if2 s PRO 214 CO -0.30 -2.12 0.41 0.99 0.04 0.00 0.00 177.00 176.01 3if2 s THR 215 N -2.80 5.08 -0.20 1.26 2.01 -0.30 -4.71 115.64 115.98 3if2 s THR 215 Ca 0.64 0.83 -0.13 0.00 0.31 0.00 0.00 61.69 63.33 3if2 s THR 215 Cb -0.19 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 3if2 s THR 215 CO 0.57 0.52 0.28 0.21 -0.69 0.00 0.00 174.62 175.51 3if2 s ASN 216 N -0.67 6.33 0.00 3.53 3.84 -1.26 -1.07 114.94 125.65 3if2 s ASN 216 Ca 0.23 0.38 0.23 0.00 0.21 0.00 0.00 52.86 53.91 3if2 s ASN 216 Cb -0.16 -2.17 0.27 0.00 -0.55 0.00 0.00 41.25 38.64 3if2 s ASN 216 CO 0.12 0.04 1.29 -0.81 -2.79 0.00 0.00 177.10 174.94 3if2 n PRO 217 N 4.08 2.30 0.03 0.43 -0.04 -1.26 -1.61 135.00 138.92 3if2 n PRO 217 Ca -0.12 -2.03 -0.10 0.00 -0.04 0.00 0.00 63.50 61.22 3if2 n PRO 217 Cb 0.52 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 3if2 n PRO 217 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3if2 h THR 218 N 4.44 1.26 0.00 0.52 1.35 -1.87 -3.38 112.91 115.24 3if2 h THR 218 Ca 0.00 -3.01 0.00 0.00 -0.55 0.00 0.00 66.41 62.85 3if2 h THR 218 Cb 0.96 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 3if2 h THR 218 CO 0.00 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3if2 n GLY 219 N 1.50 0.65 3.75 5.82 0.00 -0.23 -4.30 105.19 112.39 3if2 n GLY 219 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3if2 n GLY 219 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3if2 s ASN 220 N -2.20 7.36 -0.27 1.61 2.47 -1.26 -1.70 114.94 120.96 3if2 s ASN 220 Ca 0.00 2.17 -0.01 0.00 0.42 0.00 0.00 52.86 55.44 3if2 s ASN 220 Cb 0.00 -2.62 0.04 0.00 -1.45 0.00 0.00 41.25 37.22 3if2 s ASN 220 CO 0.00 -0.07 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.58 3if2 s VAL 221 N -1.08 2.89 0.27 -5.21 1.01 -1.26 -1.15 120.40 115.87 3if2 s VAL 221 Ca 0.44 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3if2 s VAL 221 Cb -0.30 -2.58 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 3if2 s VAL 221 CO 0.38 0.04 1.62 -0.76 0.00 0.00 0.00 175.10 176.38 3if2 s LEU 222 N 1.28 4.35 0.62 3.92 1.43 -1.26 -4.95 118.68 124.07 3if2 s LEU 222 Ca -0.03 2.91 -0.16 0.00 -1.03 0.00 0.00 54.13 55.82 3if2 s LEU 222 Cb -0.18 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3if2 s LEU 222 CO -0.03 -0.92 1.11 0.42 0.23 0.00 0.00 176.35 177.16 3if2 s THR 223 N 0.29 3.31 0.29 5.49 -4.23 -1.26 -4.92 115.64 114.61 3if2 s THR 223 Ca 0.66 0.67 0.03 0.00 -1.18 0.00 0.00 61.69 61.87 3if2 s THR 223 Cb -0.48 -3.19 0.28 0.00 1.34 0.00 0.00 72.50 70.45 3if2 s THR 223 CO 0.44 -0.33 1.71 0.44 -0.54 0.00 0.00 174.62 176.34 3if2 h ASP 224 N 0.41 0.36 -0.43 3.99 3.32 -1.92 -0.77 116.42 121.38 3if2 h ASP 224 Ca -0.48 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 3if2 h ASP 224 Cb 1.25 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3if2 h ASP 224 CO 0.55 0.03 -0.19 1.05 -1.72 0.00 0.00 179.24 178.96 3if2 h GLU 225 N 0.43 0.93 -0.85 3.56 9.09 -2.00 -1.61 114.58 124.13 3if2 h GLU 225 Ca 0.55 -0.38 0.00 0.00 0.05 0.00 0.00 59.36 59.58 3if2 h GLU 225 Cb 1.01 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 3if2 h GLU 225 CO -0.50 1.04 0.00 0.39 0.05 0.00 0.00 179.01 179.99 3if2 n GLU 226 N -4.12 0.19 0.00 1.06 1.02 -0.30 -2.34 120.64 116.16 3if2 n GLU 226 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3if2 n GLU 226 Cb 0.44 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3if2 n GLU 226 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if2 n ALA 228 N 0.61 0.00 -0.07 0.62 0.00 -0.61 -2.02 120.51 119.05 3if2 n ALA 228 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3if2 n ALA 228 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3if2 n ALA 228 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3if2 h HIS 229 N 0.00 0.32 -0.91 0.00 6.17 -1.74 -2.07 115.15 116.92 3if2 h HIS 229 Ca 0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3if2 h HIS 229 Cb 0.00 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 29.78 3if2 h HIS 229 CO 0.00 0.24 0.52 -0.07 0.71 0.00 0.00 177.93 179.34 3if2 h LEU 230 N 0.31 1.11 -1.10 0.26 3.38 -1.69 -1.18 115.31 116.40 3if2 h LEU 230 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3if2 h LEU 230 Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3if2 h LEU 230 CO -0.02 0.87 0.56 0.00 0.09 0.00 0.00 178.44 179.95 3if2 h ALA 231 N 1.31 1.34 0.12 1.53 0.00 -1.78 0.92 119.26 122.71 3if2 h ALA 231 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3if2 h ALA 231 Cb -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3if2 h ALA 231 CO -0.06 0.60 -0.06 0.93 0.00 0.00 0.00 179.25 180.66 3if2 h GLU 232 N 1.20 -0.16 -0.40 0.00 5.08 -0.71 -1.57 114.58 118.03 3if2 h GLU 232 Ca 0.32 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 3if2 h GLU 232 Cb -0.11 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 3if2 h GLU 232 CO -0.07 0.16 0.02 0.82 -1.00 0.00 0.00 179.01 178.95 3if2 h ILE 233 N -0.48 0.73 -0.39 3.13 2.04 -1.10 -0.20 117.51 121.23 3if2 h ILE 233 Ca -0.02 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3if2 h ILE 233 Cb 0.39 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3if2 h ILE 233 CO 0.03 0.02 0.20 0.00 0.00 0.00 0.00 178.15 178.40 3if2 h ALA 234 N 1.33 0.49 -0.83 1.87 0.00 -0.81 -2.65 119.26 118.67 3if2 h ALA 234 Ca 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3if2 h ALA 234 Cb 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3if2 h ALA 234 CO -0.30 -0.16 0.39 -0.22 0.00 0.00 0.00 179.25 178.95 3if2 h LYS 235 N 0.41 1.20 -0.45 0.00 3.64 -0.54 -2.48 116.57 118.35 3if2 h LYS 235 Ca 0.17 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3if2 h LYS 235 Cb 0.07 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3if2 h LYS 235 CO -0.11 0.93 0.24 -0.09 -2.27 0.00 0.00 179.45 178.16 3if2 h ARG 236 N 1.18 0.48 -0.54 1.90 2.43 -0.76 -2.87 114.38 116.20 3if2 h ARG 236 Ca 0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3if2 h ARG 236 Cb 0.14 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3if2 h ARG 236 CO -0.03 0.31 0.00 0.66 -1.51 0.00 0.00 179.97 179.40 3if2 n TYR 237 N -4.87 0.64 -3.92 2.20 4.01 -1.02 -4.94 117.16 109.25 3if2 n TYR 237 Ca 0.03 -0.26 -0.26 0.00 -0.16 0.00 0.00 57.90 57.25 3if2 n TYR 237 Cb 0.09 -0.12 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 3if2 n TYR 237 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3if2 n ASP 238 N 0.37 -1.19 -4.03 7.72 9.92 -1.08 -5.01 116.55 123.26 3if2 n ASP 238 Ca 0.11 -0.94 -0.14 0.00 -0.53 0.00 0.00 54.79 53.29 3if2 n ASP 238 Cb 0.44 -3.33 -0.13 0.00 -0.64 0.00 0.00 41.12 37.46 3if2 n ASP 238 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3if2 s ILE 239 N -3.77 0.50 0.66 0.53 -4.36 -0.95 -5.04 121.20 108.77 3if2 s ILE 239 Ca 0.13 -0.77 -0.11 0.00 -0.26 0.00 0.00 60.65 59.65 3if2 s ILE 239 Cb -0.07 -0.52 -0.01 0.00 1.25 0.00 0.00 42.46 43.11 3if2 s ILE 239 CO 0.87 -0.19 1.06 -2.16 0.24 0.00 0.00 174.94 174.75 3if2 s PRO 240 N -1.04 3.21 -0.36 0.37 0.04 -1.26 -4.21 135.00 131.74 3if2 s PRO 240 Ca -0.05 0.58 -0.07 0.00 0.04 0.00 0.00 61.00 61.49 3if2 s PRO 240 Cb -0.07 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.45 3if2 s PRO 240 CO 0.00 -0.80 0.15 -1.17 0.04 0.00 0.00 177.00 175.22 3if2 s LEU 241 N -5.26 4.53 -0.08 -3.56 2.96 -0.72 -1.30 118.68 115.25 3if2 s LEU 241 Ca 0.56 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 3if2 s LEU 241 Cb -0.11 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3if2 s LEU 241 CO 0.52 -0.37 0.54 -0.63 -1.32 0.00 0.00 176.35 175.09 3if2 s ILE 242 N 1.42 5.10 -0.12 6.68 1.01 0.87 -1.19 121.20 134.96 3if2 s ILE 242 Ca -0.00 1.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.75 3if2 s ILE 242 Cb -0.20 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.42 3if2 s ILE 242 CO 0.03 0.34 -0.08 -0.63 0.00 0.00 0.00 174.94 174.60 3if2 s ILE 243 N 0.40 1.10 -0.54 2.92 1.01 0.50 -2.67 121.20 123.92 3if2 s ILE 243 Ca 0.29 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 3if2 s ILE 243 Cb -0.16 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.23 3if2 s ILE 243 CO 0.13 0.35 0.78 -0.62 0.00 0.00 0.00 174.94 175.58 3if2 s ASP 244 N 1.67 6.26 -0.56 3.58 2.15 -0.38 -0.67 116.67 128.72 3if2 s ASP 244 Ca 0.04 -0.73 -0.00 0.00 0.43 0.00 0.00 52.55 52.29 3if2 s ASP 244 Cb -0.13 -2.36 0.48 0.00 -0.30 0.00 0.00 42.92 40.62 3if2 s ASP 244 CO -0.08 -1.07 1.98 0.59 -0.17 0.00 0.00 175.17 176.41 3if2 n ASN 245 N 6.79 6.38 -0.32 -0.34 4.13 0.10 -1.54 115.26 130.45 3if2 n ASN 245 Ca -0.03 -3.63 0.16 0.00 1.68 0.00 0.00 54.58 52.75 3if2 n ASN 245 Cb 0.46 -0.94 0.36 0.00 -1.54 0.00 0.00 39.78 38.12 3if2 n ASN 245 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3if2 h ALA 246 N 1.67 1.62 -0.14 5.41 0.00 -1.85 -2.05 119.26 123.92 3if2 h ALA 246 Ca 0.58 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.64 3if2 h ALA 246 Cb 1.41 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3if2 h ALA 246 CO 1.35 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.90 3if2 n TYR 247 N -5.01 0.17 0.00 0.00 4.01 -1.26 -4.43 117.16 110.65 3if2 n TYR 247 Ca 0.25 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3if2 n TYR 247 Cb 0.74 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 3if2 n TYR 247 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3if2 n GLY 248 N 0.70 0.10 0.20 2.72 0.00 -0.77 -0.65 105.19 107.48 3if2 n GLY 248 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3if2 n GLY 248 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3if2 h PRO 250 N 0.00 0.00 -3.57 1.61 0.13 -2.00 0.17 132.00 128.34 3if2 h PRO 250 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 3if2 h PRO 250 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 3if2 h PRO 250 CO 0.00 0.00 -0.66 -0.59 -0.23 0.00 0.00 178.00 176.52 3if2 s PHE 251 N -3.63 -0.06 -1.94 1.56 -0.12 -1.26 -4.11 117.98 108.42 3if2 s PHE 251 Ca -0.03 0.17 0.28 0.00 -0.05 0.00 0.00 56.93 57.30 3if2 s PHE 251 Cb 0.07 -0.02 1.64 0.00 -0.63 0.00 0.00 43.02 44.08 3if2 s PHE 251 CO 0.22 -0.05 2.00 -0.35 -0.05 0.00 0.00 175.22 176.99 3if2 n PRO 252 N 3.26 0.83 -3.74 1.99 -0.04 -1.13 -4.81 135.00 131.36 3if2 n PRO 252 Ca -0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.06 3if2 n PRO 252 Cb 0.58 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3if2 n PRO 252 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3if2 n ASN 253 N -1.03 -4.04 -3.63 3.54 5.15 0.58 -4.40 115.26 111.44 3if2 n ASN 253 Ca 0.20 -0.72 -0.41 0.00 -0.60 0.00 0.00 54.58 53.05 3if2 n ASN 253 Cb 0.11 -4.32 -0.00 0.00 -0.53 0.00 0.00 39.78 35.03 3if2 n ASN 253 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3if2 n ILE 254 N -4.61 4.78 -4.21 -1.44 5.41 0.17 -4.64 119.36 114.81 3if2 n ILE 254 Ca -0.08 -4.20 -0.26 0.00 1.00 0.00 0.00 62.75 59.22 3if2 n ILE 254 Cb 0.58 -2.24 -0.17 0.00 -0.71 0.00 0.00 39.64 37.11 3if2 n ILE 254 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3if2 s ILE 255 N -0.20 1.07 -1.28 1.39 1.01 -1.26 -1.63 121.20 120.30 3if2 s ILE 255 Ca 0.49 -0.38 0.14 0.00 0.00 0.00 0.00 60.65 60.90 3if2 s ILE 255 Cb 0.15 -1.04 0.35 0.00 0.01 0.00 0.00 42.46 41.93 3if2 s ILE 255 CO -0.05 0.36 1.27 -1.22 0.00 0.00 0.00 174.94 175.29 3if2 n TYR 256 N 4.41 0.50 -4.28 3.97 4.01 -0.14 -4.97 117.16 120.66 3if2 n TYR 256 Ca -0.18 -0.42 -0.16 0.00 -0.16 0.00 0.00 57.90 56.98 3if2 n TYR 256 Cb 0.51 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.42 3if2 n TYR 256 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3if2 s SER 257 N -1.03 2.12 0.04 7.72 1.04 -1.25 -5.02 113.70 117.32 3if2 s SER 257 Ca 0.28 -0.98 -0.31 0.00 0.48 0.00 0.00 55.95 55.42 3if2 s SER 257 Cb 0.15 -0.07 -0.10 0.00 0.10 0.00 0.00 66.02 66.10 3if2 s SER 257 CO 0.20 -0.24 1.91 -0.67 0.98 0.00 0.00 173.24 175.43 3if2 n ASP 258 N -0.12 3.99 -3.66 7.02 2.03 -1.26 -4.99 116.55 119.57 3if2 n ASP 258 Ca -0.10 0.94 -0.13 0.00 0.52 0.00 0.00 54.79 56.02 3if2 n ASP 258 Cb 0.60 -1.50 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 3if2 n ASP 258 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3if2 s ALA 259 N 3.83 -1.02 -0.04 -1.67 0.00 -1.26 -4.73 121.76 116.88 3if2 s ALA 259 Ca 0.87 0.29 0.07 0.00 0.00 0.00 0.00 51.96 53.19 3if2 s ALA 259 Cb -0.50 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3if2 s ALA 259 CO 0.42 -0.48 -0.24 -1.01 0.00 0.00 0.00 175.76 174.45 3if2 s HIS 260 N -2.60 2.25 -0.38 0.00 3.76 -1.26 -5.10 115.29 111.97 3if2 s HIS 260 Ca -0.04 -0.54 -0.19 0.00 -0.15 0.00 0.00 55.06 54.13 3if2 s HIS 260 Cb -0.01 -1.47 0.01 0.00 1.11 0.00 0.00 32.58 32.22 3if2 s HIS 260 CO -0.03 -0.12 0.54 -1.17 -0.85 0.00 0.00 174.74 173.11 3if2 s LEU 261 N -0.36 4.43 0.25 0.89 2.96 -1.26 -5.01 118.68 120.57 3if2 s LEU 261 Ca 0.03 -0.15 0.11 0.00 -0.22 0.00 0.00 54.13 53.90 3if2 s LEU 261 Cb -0.11 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 3if2 s LEU 261 CO 0.01 -0.57 -0.14 0.20 -1.32 0.00 0.00 176.35 174.53 3if2 s ASN 262 N 1.82 3.92 -0.01 3.68 0.02 -1.26 -5.09 114.94 118.03 3if2 s ASN 262 Ca 0.19 -0.83 -0.23 0.00 -1.02 0.00 0.00 52.86 50.97 3if2 s ASN 262 Cb -0.15 -0.50 0.05 0.00 0.02 0.00 0.00 41.25 40.67 3if2 s ASN 262 CO 0.15 0.05 0.52 0.86 0.02 0.00 0.00 177.10 178.70 3if2 s TRP 263 N -2.19 -0.44 0.39 2.20 -0.00 -1.26 -5.02 118.94 112.62 3if2 s TRP 263 Ca 0.28 0.66 -0.13 0.00 -0.00 0.00 0.00 56.10 56.91 3if2 s TRP 263 Cb -0.06 0.29 0.05 0.00 -0.00 0.00 0.00 33.47 33.75 3if2 s TRP 263 CO 0.15 -0.55 0.74 -0.40 -0.00 0.00 0.00 176.95 176.89 3if2 n ASP 264 N 0.86 -2.16 0.10 5.86 5.68 -1.26 -5.03 116.55 120.59 3if2 n ASP 264 Ca -0.20 -2.66 0.09 0.00 -0.50 0.00 0.00 54.79 51.53 3if2 n ASP 264 Cb 0.58 3.64 0.41 0.00 -1.14 0.00 0.00 41.12 44.61 3if2 n ASP 264 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3if2 n ASN 265 N -1.55 0.42 -1.62 -1.12 4.13 -1.26 -1.49 115.26 112.78 3if2 n ASN 265 Ca -0.07 0.64 0.09 0.00 1.68 0.00 0.00 54.58 56.92 3if2 n ASN 265 Cb 0.60 -0.71 0.36 0.00 -1.54 0.00 0.00 39.78 38.49 3if2 n ASN 265 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3if2 n ASN 266 N -2.00 4.81 -4.39 6.41 5.15 -1.26 -4.32 115.26 119.67 3if2 n ASN 266 Ca 0.01 -2.46 -0.32 0.00 -0.60 0.00 0.00 54.58 51.21 3if2 n ASN 266 Cb 0.13 -0.59 -0.15 0.00 -0.53 0.00 0.00 39.78 38.65 3if2 n ASN 266 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3if2 s THR 267 N -1.87 2.63 -0.34 -0.44 2.01 -0.55 -1.75 115.64 115.33 3if2 s THR 267 Ca 0.52 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.66 3if2 s THR 267 Cb 0.33 -2.00 0.09 0.00 0.01 0.00 0.00 72.50 70.93 3if2 s THR 267 CO 0.25 0.58 0.05 -0.63 -0.69 0.00 0.00 174.62 174.18 3if2 s ILE 268 N -0.48 2.55 -0.24 1.82 1.01 -0.33 -4.43 121.20 121.09 3if2 s ILE 268 Ca 0.06 -2.08 -0.16 0.00 0.00 0.00 0.00 60.65 58.47 3if2 s ILE 268 Cb -0.12 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3if2 s ILE 268 CO 0.01 -0.48 0.40 -0.76 0.00 0.00 0.00 174.94 174.11 3if2 s LEU 269 N 1.02 4.08 -0.18 2.97 1.43 -0.23 -0.37 118.68 127.40 3if2 s LEU 269 Ca 0.06 0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 3if2 s LEU 269 Cb -0.20 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 3if2 s LEU 269 CO -0.06 -0.16 0.02 0.00 0.23 0.00 0.00 176.35 176.38 3if2 s PHE 271 N 0.54 2.38 0.02 0.00 0.40 0.90 0.01 117.98 122.23 3if2 s PHE 271 Ca 0.00 -0.74 -0.17 0.00 -0.60 0.00 0.00 56.93 55.42 3if2 s PHE 271 Cb -0.14 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.73 3if2 s PHE 271 CO 0.02 0.37 0.37 0.45 0.70 0.00 0.00 175.22 177.12 3if2 s SER 272 N -3.70 -0.24 0.00 1.36 0.15 -1.26 -0.75 113.70 109.26 3if2 s SER 272 Ca 0.32 0.04 0.26 0.00 0.70 0.00 0.00 55.95 57.27 3if2 s SER 272 Cb 0.09 0.38 0.66 0.00 -1.71 0.00 0.00 66.02 65.43 3if2 s SER 272 CO 0.16 -0.57 1.52 0.18 1.20 0.00 0.00 173.24 175.73 3if2 n LEU 273 N 0.82 1.92 -0.10 3.45 4.77 -0.72 -4.51 117.00 122.63 3if2 n LEU 273 Ca -0.20 -0.64 -0.11 0.00 -0.03 0.00 0.00 56.01 55.04 3if2 n LEU 273 Cb 0.58 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 3if2 n LEU 273 CO 0.21 0.33 0.81 0.28 -1.33 0.00 0.00 177.39 177.69 3if2 h SER 274 N 2.89 0.46 0.10 -1.43 0.02 -1.77 -1.71 113.55 112.10 3if2 h SER 274 Ca 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3if2 h SER 274 Cb 0.67 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3if2 h SER 274 CO 0.00 0.60 -0.07 0.29 -1.14 0.00 0.00 176.83 176.52 3if2 n LYS 275 N -4.64 1.24 0.04 3.45 4.76 -1.26 -2.00 118.16 119.73 3if2 n LYS 275 Ca -0.03 -0.60 0.13 0.00 -2.87 0.00 0.00 58.31 54.94 3if2 n LYS 275 Cb 0.21 -1.49 0.36 0.00 -1.84 0.00 0.00 35.03 32.28 3if2 n LYS 275 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3if2 n ILE 276 N -0.36 0.20 0.00 -0.18 -5.35 -1.22 -4.75 119.36 107.71 3if2 n ILE 276 Ca 0.18 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3if2 n ILE 276 Cb 0.30 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 3if2 n ILE 276 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3if2 n GLY 277 N 1.42 1.33 2.29 3.28 0.00 -0.85 -5.04 105.19 107.63 3if2 n GLY 277 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3if2 n GLY 277 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3if2 n LEU 278 N 0.00 4.73 0.23 0.99 4.77 -0.65 -4.86 117.00 122.21 3if2 n LEU 278 Ca 0.00 -4.99 0.07 0.00 -0.03 0.00 0.00 56.01 51.07 3if2 n LEU 278 Cb 0.00 -0.39 0.53 0.00 -2.33 0.00 0.00 43.42 41.23 3if2 n LEU 278 CO 0.00 2.17 0.87 1.55 -1.33 0.00 0.00 177.39 180.65 3if2 h PRO 279 N 2.42 0.00 -1.93 3.23 0.13 -1.72 -3.32 132.00 130.80 3if2 h PRO 279 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 3if2 h PRO 279 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3if2 h PRO 279 CO 0.80 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 3if2 n GLY 280 N -0.70 0.97 0.00 1.56 0.00 -1.26 -4.79 105.19 100.96 3if2 n GLY 280 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3if2 n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if2 n ARG 282 N 1.63 0.00 -4.03 1.61 5.12 -1.25 -5.11 116.66 114.63 3if2 n ARG 282 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3if2 n ARG 282 Cb 0.15 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.29 3if2 n ARG 282 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3if2 s THR 283 N 0.00 1.88 0.05 0.55 2.01 -1.26 -1.76 115.64 117.10 3if2 s THR 283 Ca 0.00 -1.27 0.02 0.00 0.31 0.00 0.00 61.69 60.75 3if2 s THR 283 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3if2 s THR 283 CO 0.00 0.10 0.06 -0.83 -0.69 0.00 0.00 174.62 173.26 3if2 s GLY 284 N 1.27 1.99 -0.08 4.40 0.00 -0.42 -1.76 107.32 112.72 3if2 s GLY 284 Ca -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.73 3if2 s GLY 284 CO -0.07 -0.92 -0.17 -0.42 0.00 0.00 0.00 173.10 171.52 3if2 s ILE 285 N -1.28 1.49 -0.15 0.90 1.01 0.07 -1.55 121.20 121.69 3if2 s ILE 285 Ca 0.26 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3if2 s ILE 285 Cb -0.12 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.04 3if2 s ILE 285 CO 0.18 0.43 -0.20 -0.63 0.00 0.00 0.00 174.94 174.72 3if2 s ILE 286 N 0.49 2.23 -0.24 2.92 1.01 -0.27 -0.07 121.20 127.26 3if2 s ILE 286 Ca -0.15 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 3if2 s ILE 286 Cb -0.16 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 3if2 s ILE 286 CO 0.05 0.54 0.03 -0.69 0.00 0.00 0.00 174.94 174.87 3if2 s VAL 287 N 0.87 3.90 0.37 2.92 1.01 0.04 -1.89 120.40 127.63 3if2 s VAL 287 Ca -0.05 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 3if2 s VAL 287 Cb -0.15 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.46 3if2 s VAL 287 CO -0.03 0.35 0.82 0.00 0.00 0.00 0.00 175.10 176.24 3if2 s ALA 288 N 1.55 -0.82 0.56 5.51 0.00 -0.29 -1.07 121.76 127.20 3if2 s ALA 288 Ca 0.06 -0.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 3if2 s ALA 288 Cb -0.15 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 3if2 s ALA 288 CO 0.01 -0.99 1.26 0.34 0.00 0.00 0.00 175.76 176.38 3if2 s ASP 289 N -3.11 5.34 0.31 0.00 2.15 -1.26 -4.35 116.67 115.75 3if2 s ASP 289 Ca 0.16 2.53 0.06 0.00 0.43 0.00 0.00 52.55 55.74 3if2 s ASP 289 Cb -0.05 -2.61 0.83 0.00 -0.30 0.00 0.00 42.92 40.78 3if2 s ASP 289 CO 0.11 -1.50 1.66 0.00 -0.17 0.00 0.00 175.17 175.27 3if2 h ALA 290 N 1.28 1.52 -0.97 3.66 0.00 -1.93 -0.28 119.26 122.54 3if2 h ALA 290 Ca -0.50 0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3if2 h ALA 290 Cb 1.29 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 3if2 h ALA 290 CO 0.57 -0.47 0.63 0.87 0.00 0.00 0.00 179.25 180.85 3if2 h LYS 291 N 0.29 1.20 -0.34 0.00 6.56 -1.91 0.83 116.57 123.20 3if2 h LYS 291 Ca 0.61 -0.07 -0.13 0.00 -1.06 0.00 0.00 60.65 60.00 3if2 h LYS 291 Cb 1.27 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.65 3if2 h LYS 291 CO -0.61 0.80 -0.30 0.28 -2.06 0.00 0.00 179.45 177.55 3if2 h VAL 292 N 1.24 1.29 -0.61 0.50 2.07 -1.42 -2.91 116.25 116.40 3if2 h VAL 292 Ca 0.38 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 3if2 h VAL 292 Cb -0.02 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3if2 h VAL 292 CO -0.12 0.48 0.10 0.40 0.02 0.00 0.00 177.57 178.46 3if2 h ILE 293 N 0.58 1.26 -0.90 4.57 1.08 -0.92 -1.49 117.51 121.69 3if2 h ILE 293 Ca 0.06 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.55 3if2 h ILE 293 Cb 0.88 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 3if2 h ILE 293 CO 0.08 0.37 0.59 -0.33 -0.69 0.00 0.00 178.15 178.17 3if2 h GLU 294 N 0.92 1.16 -0.10 2.37 5.08 -0.89 0.64 114.58 123.74 3if2 h GLU 294 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3if2 h GLU 294 Cb 0.42 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3if2 h GLU 294 CO 0.01 0.76 0.07 0.00 -1.00 0.00 0.00 179.01 178.85 3if2 h ALA 295 N 1.34 0.13 -0.59 3.43 0.00 -1.25 -0.73 119.26 121.59 3if2 h ALA 295 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3if2 h ALA 295 Cb -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3if2 h ALA 295 CO -0.09 -0.37 0.36 0.28 0.00 0.00 0.00 179.25 179.44 3if2 h VAL 296 N 0.12 1.17 -0.29 0.00 2.07 -0.95 -2.85 116.25 115.53 3if2 h VAL 296 Ca 0.04 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3if2 h VAL 296 Cb 0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3if2 h VAL 296 CO -0.01 0.18 0.13 0.28 0.02 0.00 0.00 177.57 178.17 3if2 h SER 297 N 0.80 0.39 0.00 0.57 0.02 -0.72 0.10 113.55 114.71 3if2 h SER 297 Ca 0.21 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3if2 h SER 297 Cb -0.03 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3if2 h SER 297 CO -0.04 0.42 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 3if2 n ALA 298 N -2.25 1.27 0.00 3.77 0.00 -0.29 -1.38 120.51 121.62 3if2 n ALA 298 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3if2 n ALA 298 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3if2 n ALA 298 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3if2 n ASN 300 N 0.68 0.00 -0.24 0.00 3.02 0.35 -2.71 115.26 116.35 3if2 n ASN 300 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3if2 n ASN 300 Cb 0.02 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.35 3if2 n ASN 300 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3if2 h ALA 301 N 0.00 0.93 0.05 5.41 0.00 -1.34 0.41 119.26 124.71 3if2 h ALA 301 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3if2 h ALA 301 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3if2 h ALA 301 CO 0.00 -0.30 -0.46 0.28 0.00 0.00 0.00 179.25 178.77 3if2 h VAL 302 N 0.31 1.57 0.06 0.00 2.07 -1.80 -2.68 116.25 115.78 3if2 h VAL 302 Ca 0.39 -2.39 -0.26 0.00 0.82 0.00 0.00 66.70 65.27 3if2 h VAL 302 Cb 0.63 3.17 0.01 0.00 -1.52 0.00 0.00 31.29 33.58 3if2 h VAL 302 CO -0.46 0.62 -1.09 0.58 0.02 0.00 0.00 177.57 177.24 3if2 h VAL 303 N -0.78 1.40 0.00 2.57 2.07 -1.83 -3.40 116.25 116.28 3if2 h VAL 303 Ca -0.10 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.80 3if2 h VAL 303 Cb 1.26 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 3if2 h VAL 303 CO 0.02 0.78 -0.03 0.59 0.02 0.00 0.00 177.57 178.95 3if2 n ASN 304 N -3.69 0.16 0.00 0.57 3.02 0.12 -5.04 115.26 110.40 3if2 n ASN 304 Ca -0.09 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 3if2 n ASN 304 Cb 0.92 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.87 3if2 n ASN 304 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3if2 n LEU 305 N -0.79 0.00 -3.76 3.41 7.94 0.07 -4.66 117.00 119.20 3if2 n LEU 305 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3if2 n LEU 305 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3if2 n LEU 305 CO 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 177.39 176.30 3if2 s ALA 306 N 0.00 -0.64 0.87 1.96 0.00 -1.26 -3.90 121.76 118.78 3if2 s ALA 306 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 3if2 s ALA 306 Cb 0.00 0.33 0.12 0.00 0.00 0.00 0.00 23.12 23.57 3if2 s ALA 306 CO 0.00 -0.42 1.17 -1.25 0.00 0.00 0.00 175.76 175.27 3if2 s PRO 307 N -2.63 1.47 0.68 0.00 0.04 -1.26 -5.00 135.00 128.30 3if2 s PRO 307 Ca -0.04 0.13 -0.16 0.00 0.04 0.00 0.00 61.00 60.97 3if2 s PRO 307 Cb -0.01 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.65 3if2 s PRO 307 CO -0.04 -1.94 1.20 -0.08 0.04 0.00 0.00 177.00 176.18 3if2 s THR 308 N -3.48 2.47 0.00 1.26 -1.32 -1.26 -4.69 115.64 108.62 3if2 s THR 308 Ca 0.64 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 61.37 3if2 s THR 308 Cb -0.12 -2.90 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 3if2 s THR 308 CO 0.51 -0.11 0.23 -2.11 -2.21 0.00 0.00 174.62 170.93 3if2 n ARG 309 N -2.34 0.25 0.13 7.08 1.85 -1.26 -4.80 116.66 117.58 3if2 n ARG 309 Ca 0.13 -0.23 -0.01 0.00 -1.00 0.00 0.00 57.85 56.74 3if2 n ARG 309 Cb 0.50 -0.69 0.13 0.00 -1.05 0.00 0.00 32.46 31.36 3if2 n ARG 309 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3if2 h PHE 310 N 0.00 0.00 -0.28 2.89 3.57 -1.94 -0.21 116.94 120.97 3if2 h PHE 310 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3if2 h PHE 310 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3if2 h PHE 310 CO 0.00 0.66 0.12 0.78 -2.23 0.00 0.00 178.31 177.64 3if2 h GLY 311 N 2.16 0.44 0.42 2.40 0.00 -1.94 -2.23 103.07 104.32 3if2 h GLY 311 Ca -0.01 -0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.19 3if2 h GLY 311 CO 0.09 0.21 0.32 0.00 0.00 0.00 0.00 176.54 177.16 3if2 h ALA 312 N 0.98 0.94 -0.46 3.60 0.00 -1.76 -1.15 119.26 121.40 3if2 h ALA 312 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3if2 h ALA 312 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3if2 h ALA 312 CO -0.01 -0.10 0.30 0.00 0.00 0.00 0.00 179.25 179.44 3if2 h ALA 313 N 1.44 0.59 -0.11 0.00 0.00 -0.72 -0.16 119.26 120.30 3if2 h ALA 313 Ca 0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3if2 h ALA 313 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3if2 h ALA 313 CO -0.29 0.05 0.00 0.82 0.00 0.00 0.00 179.25 179.83 3if2 h ILE 314 N 0.63 1.25 0.00 0.00 5.03 -1.12 -3.32 117.51 119.98 3if2 h ILE 314 Ca 0.17 -0.80 -0.10 0.00 -0.12 0.00 0.00 64.86 64.01 3if2 h ILE 314 Cb -0.06 1.57 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 3if2 h ILE 314 CO -0.04 0.23 -0.45 0.00 -0.68 0.00 0.00 178.15 177.21 3if2 h ALA 315 N 0.74 0.91 -0.19 1.87 0.00 -1.00 -3.36 119.26 118.24 3if2 h ALA 315 Ca 0.03 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.58 3if2 h ALA 315 Cb 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3if2 h ALA 315 CO 0.01 0.57 -0.37 1.15 0.00 0.00 0.00 179.25 180.60 3if2 h THR 316 N 0.00 0.20 -0.13 0.00 2.02 -1.13 -0.35 112.91 113.53 3if2 h THR 316 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3if2 h THR 316 Cb 1.04 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3if2 h THR 316 CO 0.06 0.00 -0.25 1.55 0.37 0.00 0.00 175.52 177.25 3if2 h PRO 317 N -0.41 0.23 0.00 6.66 0.13 -1.79 -1.47 132.00 135.35 3if2 h PRO 317 Ca 0.10 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.11 3if2 h PRO 317 Cb 0.58 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3if2 h PRO 317 CO -0.42 0.47 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.54 3if2 h LEU 318 N 0.21 0.00 0.05 1.56 3.38 -1.57 -2.51 115.31 116.43 3if2 h LEU 318 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3if2 h LEU 318 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3if2 h LEU 318 CO 0.04 0.22 -0.29 0.58 0.09 0.00 0.00 178.44 179.08 3if2 h VAL 319 N 0.00 1.68 -0.95 1.22 2.07 -0.70 0.59 116.25 120.16 3if2 h VAL 319 Ca -0.00 -2.37 0.20 0.00 0.82 0.00 0.00 66.70 65.35 3if2 h VAL 319 Cb 0.73 3.27 -0.11 0.00 -1.52 0.00 0.00 31.29 33.66 3if2 h VAL 319 CO 0.03 0.64 0.53 0.00 0.02 0.00 0.00 177.57 178.78 3if2 h ALA 320 N 0.05 1.58 -0.45 1.67 0.00 -1.17 -2.33 119.26 118.61 3if2 h ALA 320 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3if2 h ALA 320 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3if2 h ALA 320 CO 0.05 -0.17 0.00 0.27 0.00 0.00 0.00 179.25 179.40 3if2 n ASN 321 N -4.87 4.02 -0.04 0.00 0.23 -0.95 -4.98 115.26 108.67 3if2 n ASN 321 Ca 0.23 -2.50 -0.00 0.00 -0.53 0.00 0.00 54.58 51.77 3if2 n ASN 321 Cb 0.61 -0.47 -0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3if2 n ASN 321 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3if2 n ASP 322 N 0.46 -5.88 0.26 0.53 8.00 -0.88 -4.86 116.55 114.18 3if2 n ASP 322 Ca 0.21 0.01 0.13 0.00 0.71 0.00 0.00 54.79 55.85 3if2 n ASP 322 Cb 0.77 -3.48 0.69 0.00 -0.02 0.00 0.00 41.12 39.08 3if2 n ASP 322 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3if2 h ARG 323 N 0.00 0.00 -0.93 -1.24 3.08 -1.49 -1.86 114.38 111.93 3if2 h ARG 323 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3if2 h ARG 323 Cb 0.99 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 3if2 h ARG 323 CO 0.01 0.13 0.59 0.97 -1.07 0.00 0.00 179.97 180.61 3if2 h ILE 324 N 0.00 1.25 -0.21 2.04 2.10 -1.27 0.75 117.51 122.16 3if2 h ILE 324 Ca -0.00 -0.49 -0.12 0.00 1.08 0.00 0.00 64.86 65.33 3if2 h ILE 324 Cb 0.41 -0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 36.04 3if2 h ILE 324 CO 0.02 0.25 -0.32 0.50 -1.08 0.00 0.00 178.15 177.52 3if2 h LYS 325 N 1.28 0.59 -0.57 2.19 3.64 -1.60 -2.44 116.57 119.65 3if2 h LYS 325 Ca 0.34 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3if2 h LYS 325 Cb -0.10 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3if2 h LYS 325 CO -0.07 0.96 0.05 1.96 -2.27 0.00 0.00 179.45 180.08 3if2 h GLN 326 N 0.27 0.98 -0.61 1.90 4.20 -1.24 -0.80 115.11 119.81 3if2 h GLN 326 Ca 0.02 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.48 3if2 h GLN 326 Cb 0.90 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 3if2 h GLN 326 CO 0.07 0.95 0.35 1.25 -0.67 0.00 0.00 178.83 180.79 3if2 h LEU 327 N 0.87 0.55 -0.20 1.46 5.85 -0.89 0.20 115.31 123.14 3if2 h LEU 327 Ca 0.17 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3if2 h LEU 327 Cb 0.48 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3if2 h LEU 327 CO 0.02 0.38 0.02 0.28 -0.34 0.00 0.00 178.44 178.80 3if2 h SER 328 N 0.68 0.33 -0.13 1.25 0.02 -1.05 -2.00 113.55 112.64 3if2 h SER 328 Ca 0.26 -0.28 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 3if2 h SER 328 Cb 0.09 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3if2 h SER 328 CO -0.13 0.52 -0.78 0.44 -1.14 0.00 0.00 176.83 175.74 3if2 h ASP 329 N 0.12 0.92 0.61 3.07 3.32 -1.07 0.02 116.42 123.42 3if2 h ASP 329 Ca 0.06 -0.64 -0.27 0.00 0.02 0.00 0.00 57.03 56.20 3if2 h ASP 329 Cb 0.34 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3if2 h ASP 329 CO 0.01 1.41 -1.51 0.78 -1.72 0.00 0.00 179.24 178.21 3if2 h ASN 330 N 0.49 0.04 0.00 6.45 2.35 -1.04 -3.39 115.58 120.48 3if2 h ASN 330 Ca -0.06 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 3if2 h ASN 330 Cb 1.41 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 3if2 h ASN 330 CO 0.16 1.06 -0.78 -0.62 -1.65 0.00 0.00 177.43 175.61 3if2 n GLU 331 N -3.17 0.12 0.28 0.81 -0.58 -0.80 -4.66 120.64 112.64 3if2 n GLU 331 Ca -0.13 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.53 3if2 n GLU 331 Cb 1.02 -0.70 -0.07 0.00 -0.57 0.00 0.00 31.44 31.12 3if2 n GLU 331 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3if2 h ILE 332 N -0.21 0.18 -0.42 -3.67 2.04 -1.41 -2.34 117.51 111.68 3if2 h ILE 332 Ca -0.08 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.42 3if2 h ILE 332 Cb 0.68 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3if2 h ILE 332 CO -0.05 0.03 -0.01 0.50 0.00 0.00 0.00 178.15 178.63 3if2 h LYS 333 N -1.12 0.10 -0.44 2.37 3.64 -1.19 -2.32 116.57 117.61 3if2 h LYS 333 Ca -0.08 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 3if2 h LYS 333 Cb 0.62 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3if2 h LYS 333 CO 0.12 0.06 -0.15 -1.35 -2.27 0.00 0.00 179.45 175.87 3if2 h PRO 334 N 0.10 0.83 -0.11 1.90 0.11 -1.76 -2.62 132.00 130.45 3if2 h PRO 334 Ca 0.21 -0.30 0.04 0.00 0.11 0.00 0.00 66.00 66.06 3if2 h PRO 334 Cb 0.30 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.29 3if2 h PRO 334 CO -0.35 0.92 -0.31 0.35 -0.21 0.00 0.00 178.00 178.40 3if2 h PHE 335 N 0.74 -0.86 -0.19 0.65 3.57 -0.88 -2.29 116.94 117.67 3if2 h PHE 335 Ca 0.11 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3if2 h PHE 335 Cb 0.66 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3if2 h PHE 335 CO 0.04 -0.39 -0.18 1.88 -2.23 0.00 0.00 178.31 177.42 3if2 h TYR 336 N -0.40 0.36 -0.21 0.41 0.05 -1.44 -2.38 116.97 113.36 3if2 h TYR 336 Ca 0.09 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3if2 h TYR 336 Cb 0.54 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3if2 h TYR 336 CO -0.39 0.50 0.08 0.37 -1.05 0.00 0.00 178.16 177.67 3if2 h GLN 337 N 0.31 0.31 -0.83 4.88 4.15 -1.12 -0.92 115.11 121.88 3if2 h GLN 337 Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3if2 h GLN 337 Cb 0.50 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 3if2 h GLN 337 CO 0.03 0.38 0.47 0.87 -1.93 0.00 0.00 178.83 178.65 3if2 h LYS 338 N 0.17 1.15 -0.46 1.69 1.57 -1.34 -0.60 116.57 118.76 3if2 h LYS 338 Ca 0.07 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3if2 h LYS 338 Cb 0.19 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3if2 h LYS 338 CO -0.00 0.83 0.14 1.96 -0.57 0.00 0.00 179.45 181.81 3if2 h GLN 339 N 1.16 0.71 -0.47 3.15 1.08 -1.26 -1.14 115.11 118.34 3if2 h GLN 339 Ca 0.30 -0.16 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 3if2 h GLN 339 Cb 0.00 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3if2 h GLN 339 CO -0.05 0.69 0.15 0.00 -0.95 0.00 0.00 178.83 178.66 3if2 h ALA 340 N 0.99 0.62 -0.23 3.87 0.00 -0.97 -0.66 119.26 122.89 3if2 h ALA 340 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3if2 h ALA 340 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3if2 h ALA 340 CO -0.00 0.27 0.13 1.15 0.00 0.00 0.00 179.25 180.80 3if2 h THR 341 N 0.63 1.03 -0.47 0.00 2.02 -1.03 -0.03 112.91 115.06 3if2 h THR 341 Ca 0.15 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3if2 h THR 341 Cb 0.27 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3if2 h THR 341 CO -0.00 0.05 0.25 0.25 0.37 0.00 0.00 175.52 176.44 3if2 h LEU 342 N 0.28 0.38 -0.41 2.58 5.85 -1.11 -1.87 115.31 121.01 3if2 h LEU 342 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3if2 h LEU 342 Cb -0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3if2 h LEU 342 CO -0.04 0.27 0.22 0.00 -0.34 0.00 0.00 178.44 178.55 3if2 h ALA 343 N 1.23 0.53 -0.52 1.25 0.00 -0.75 -2.09 119.26 118.91 3if2 h ALA 343 Ca 0.20 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3if2 h ALA 343 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3if2 h ALA 343 CO -0.12 0.06 0.33 0.28 0.00 0.00 0.00 179.25 179.81 3if2 h VAL 344 N 0.53 1.11 0.05 0.00 2.07 -0.84 -0.10 116.25 119.07 3if2 h VAL 344 Ca 0.14 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3if2 h VAL 344 Cb 0.07 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 3if2 h VAL 344 CO -0.02 0.12 -0.36 0.50 0.02 0.00 0.00 177.57 177.83 3if2 h LYS 345 N 0.67 -0.52 -0.92 1.57 1.63 -1.20 -0.32 116.57 117.48 3if2 h LYS 345 Ca 0.20 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 3if2 h LYS 345 Cb -0.05 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 3if2 h LYS 345 CO -0.06 -0.35 0.57 -0.07 -3.45 0.00 0.00 179.45 176.09 3if2 h LEU 346 N -0.54 1.09 -0.58 5.20 3.38 -1.12 -1.94 115.31 120.80 3if2 h LEU 346 Ca 0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3if2 h LEU 346 Cb 0.60 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3if2 h LEU 346 CO -0.26 0.82 0.09 -0.07 0.09 0.00 0.00 178.44 179.11 3if2 h LEU 347 N 1.26 0.93 -1.61 1.67 3.38 -0.72 -2.15 115.31 118.07 3if2 h LEU 347 Ca 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3if2 h LEU 347 Cb -0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3if2 h LEU 347 CO -0.06 0.96 -0.17 0.11 0.09 0.00 0.00 178.44 179.37 3if2 h LYS 348 N 0.87 0.00 0.06 1.13 1.57 -0.66 0.31 116.57 119.85 3if2 h LYS 348 Ca 0.18 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.68 3if2 h LYS 348 Cb 0.43 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.76 3if2 h LYS 348 CO 0.01 0.17 -1.13 1.96 -0.57 0.00 0.00 179.45 179.90 3if2 h GLN 349 N 0.00 0.62 0.41 3.15 4.20 -1.01 -3.38 115.11 119.10 3if2 h GLN 349 Ca -0.00 -0.74 -0.02 0.00 0.06 0.00 0.00 58.65 57.95 3if2 h GLN 349 Cb 0.50 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3if2 h GLN 349 CO 0.02 1.32 -0.20 0.00 -0.67 0.00 0.00 178.83 179.30 3if2 h ALA 350 N 0.41 -0.55 -3.00 3.87 0.00 -1.18 -3.47 119.26 115.33 3if2 h ALA 350 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3if2 h ALA 350 Cb 1.79 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3if2 h ALA 350 CO 0.21 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.21 3if2 n LEU 351 N -5.15 0.00 0.00 0.00 4.77 0.08 -4.87 117.00 111.84 3if2 n LEU 351 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3if2 n LEU 351 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3if2 n LEU 351 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3if2 n GLY 352 N 5.00 2.99 0.20 -0.72 0.00 -1.26 -4.57 105.19 106.83 3if2 n GLY 352 Ca 0.00 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.35 3if2 n GLY 352 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3if2 h ASP 353 N 0.03 0.00 -1.64 1.61 3.32 -1.89 -3.47 116.42 114.38 3if2 h ASP 353 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 3if2 h ASP 353 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 3if2 h ASP 353 CO 0.00 0.00 -0.12 -0.31 -1.72 0.00 0.00 179.24 177.09 3if2 s TYR 354 N -3.27 2.33 0.00 4.55 1.51 -1.26 -5.00 117.35 116.21 3if2 s TYR 354 Ca 0.07 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 3if2 s TYR 354 Cb 0.08 -2.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.42 3if2 s TYR 354 CO 0.61 -0.87 1.00 -2.30 -1.11 0.00 0.00 175.55 172.88 3if2 n PRO 355 N -2.19 0.63 -1.88 -1.71 -0.02 -1.26 -5.06 135.00 123.51 3if2 n PRO 355 Ca 0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.29 3if2 n PRO 355 Cb 0.60 -1.19 0.20 0.00 -0.02 0.00 0.00 33.50 33.09 3if2 n PRO 355 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3if2 s LEU 356 N 0.00 2.61 -0.29 2.45 2.96 -1.26 -1.92 118.68 123.23 3if2 s LEU 356 Ca 0.00 0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.94 3if2 s LEU 356 Cb 0.00 -2.19 0.13 0.00 0.50 0.00 0.00 46.19 44.63 3if2 s LEU 356 CO 0.00 -2.92 0.98 -0.63 -1.32 0.00 0.00 176.35 172.46 3if2 s ILE 358 N -3.87 0.00 0.31 6.68 1.01 -0.63 -4.84 121.20 119.86 3if2 s ILE 358 Ca 0.75 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 3if2 s ILE 358 Cb -0.03 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 3if2 s ILE 358 CO 0.54 0.00 1.21 -2.28 0.00 0.00 0.00 174.94 174.41 3if2 s HIS 359 N 0.87 3.29 -0.06 3.97 5.65 -0.42 -2.35 115.29 126.25 3if2 s HIS 359 Ca -0.04 1.54 -0.33 0.00 0.25 0.00 0.00 55.06 56.49 3if2 s HIS 359 Cb -0.04 -3.50 -0.11 0.00 -1.18 0.00 0.00 32.58 27.75 3if2 s HIS 359 CO -0.12 -1.27 1.93 1.17 -0.65 0.00 0.00 174.74 175.81 3if2 n LYS 360 N 1.01 2.39 -2.50 2.88 4.81 -0.02 -4.73 118.16 122.00 3if2 n LYS 360 Ca -0.00 0.87 -0.39 0.00 -0.87 0.00 0.00 58.31 57.91 3if2 n LYS 360 Cb 0.43 -2.79 -0.03 0.00 0.02 0.00 0.00 35.03 32.67 3if2 n LYS 360 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3if2 s PRO 361 N 4.34 3.50 0.00 1.64 0.04 -1.26 -4.55 135.00 138.71 3if2 s PRO 361 Ca 0.92 -1.13 0.27 0.00 0.04 0.00 0.00 61.00 61.10 3if2 s PRO 361 Cb -0.60 -5.35 0.87 0.00 0.04 0.00 0.00 34.50 29.47 3if2 s PRO 361 CO 0.48 -2.38 1.64 0.39 0.04 0.00 0.00 177.00 177.17 3if2 n GLU 362 N 8.82 1.34 -3.67 4.56 1.02 -0.69 -4.82 120.64 127.21 3if2 n GLU 362 Ca 0.36 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.69 3if2 n GLU 362 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3if2 n GLU 362 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3if2 n GLY 363 N 1.26 -2.08 7.00 0.62 0.00 -0.94 -0.97 105.19 110.08 3if2 n GLY 363 Ca 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3if2 n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if2 n ALA 364 N 0.00 0.00 -1.53 4.61 0.00 -0.65 -4.33 120.51 118.61 3if2 n ALA 364 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3if2 n ALA 364 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 3if2 n ALA 364 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3if2 n ILE 365 N -1.43 2.18 -4.11 0.00 -5.35 -1.26 -5.00 119.36 104.39 3if2 n ILE 365 Ca 0.00 -3.11 -0.13 0.00 -0.27 0.00 0.00 62.75 59.24 3if2 n ILE 365 Cb 0.00 -0.24 -0.11 0.00 -1.74 0.00 0.00 39.64 37.55 3if2 n ILE 365 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3if2 s PHE 366 N -3.19 0.83 -0.11 4.28 0.08 -1.26 -1.32 117.98 117.29 3if2 s PHE 366 Ca 0.38 -0.60 -0.02 0.00 0.12 0.00 0.00 56.93 56.81 3if2 s PHE 366 Cb 0.36 -0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 42.30 3if2 s PHE 366 CO -0.05 -0.07 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.45 3if2 s LEU 367 N -2.01 3.35 -0.33 -0.37 1.43 -1.26 -4.60 118.68 114.88 3if2 s LEU 367 Ca -0.03 0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3if2 s LEU 367 Cb -0.06 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.43 3if2 s LEU 367 CO -0.00 0.30 0.09 0.86 0.23 0.00 0.00 176.35 177.83 3if2 s TRP 368 N -0.41 3.26 -0.19 0.29 -0.11 -1.26 -4.42 118.94 116.09 3if2 s TRP 368 Ca 0.07 -1.46 -0.09 0.00 1.22 0.00 0.00 56.10 55.84 3if2 s TRP 368 Cb -0.12 -2.26 -0.05 0.00 -1.50 0.00 0.00 33.47 29.54 3if2 s TRP 368 CO 0.02 -0.74 0.11 -0.51 -4.62 0.00 0.00 176.95 171.21 3if2 s LEU 369 N 1.39 4.08 -0.27 5.86 1.02 -0.53 -1.30 118.68 128.94 3if2 s LEU 369 Ca -0.02 0.20 -0.00 0.00 0.02 0.00 0.00 54.13 54.33 3if2 s LEU 369 Cb -0.20 -2.04 0.05 0.00 0.02 0.00 0.00 46.19 44.02 3if2 s LEU 369 CO 0.02 0.20 -0.05 0.86 0.02 0.00 0.00 176.35 177.40 3if2 s TRP 370 N 0.22 3.21 -0.75 0.29 -0.00 -1.26 -1.05 118.94 119.60 3if2 s TRP 370 Ca 0.07 -1.93 -0.19 0.00 -0.00 0.00 0.00 56.10 54.05 3if2 s TRP 370 Cb -0.12 -2.04 0.12 0.00 -0.00 0.00 0.00 33.47 31.44 3if2 s TRP 370 CO -0.01 -0.81 0.90 -0.06 -0.00 0.00 0.00 176.95 176.97 3if2 s PHE 371 N 1.22 3.08 0.18 5.86 0.08 -0.42 -4.31 117.98 123.67 3if2 s PHE 371 Ca -0.05 -1.16 -0.32 0.00 0.12 0.00 0.00 56.93 55.52 3if2 s PHE 371 Cb -0.19 -4.13 -0.11 0.00 -0.57 0.00 0.00 43.02 38.02 3if2 s PHE 371 CO -0.03 -1.38 1.75 0.15 -0.10 0.00 0.00 175.22 175.60 3if2 s LYS 372 N 2.60 4.13 -1.38 0.44 1.02 -0.81 -3.22 119.74 122.53 3if2 s LYS 372 Ca 0.21 2.60 -0.08 0.00 0.02 0.00 0.00 55.97 58.73 3if2 s LYS 372 Cb -0.15 -3.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3if2 s LYS 372 CO -0.00 -0.78 1.02 -0.25 -0.92 0.00 0.00 175.35 174.43 3if2 n ASP 373 N 4.49 -4.41 -4.71 2.83 8.00 -1.26 -4.83 116.55 116.66 3if2 n ASP 373 Ca 0.16 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.58 3if2 n ASP 373 Cb 0.36 -4.57 -0.03 0.00 -0.02 0.00 0.00 41.12 36.86 3if2 n ASP 373 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3if2 s LEU 374 N -7.05 4.37 0.63 0.64 2.96 -1.20 -4.91 118.68 114.12 3if2 s LEU 374 Ca 0.42 2.32 0.40 0.00 -0.22 0.00 0.00 54.13 57.06 3if2 s LEU 374 Cb -0.20 -3.58 2.08 0.00 0.50 0.00 0.00 46.19 44.99 3if2 s LEU 374 CO 0.77 -0.66 2.25 -0.65 -1.32 0.00 0.00 176.35 176.74 3if2 h PRO 375 N 6.88 0.00 -5.94 0.98 0.11 -1.91 -3.43 132.00 128.69 3if2 h PRO 375 Ca -0.42 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.11 3if2 h PRO 375 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 3if2 h PRO 375 CO 0.87 0.01 -0.58 0.96 -0.21 0.00 0.00 178.00 179.05 3if2 s ILE 376 N -4.06 2.48 0.50 4.15 -4.36 -1.26 -5.14 121.20 113.51 3if2 s ILE 376 Ca -0.03 -1.88 -0.15 0.00 -0.26 0.00 0.00 60.65 58.33 3if2 s ILE 376 Cb 0.12 -2.89 -0.07 0.00 1.25 0.00 0.00 42.46 40.87 3if2 s ILE 376 CO 0.46 -0.12 0.94 -0.94 0.24 0.00 0.00 174.94 175.52 3if2 s SER 377 N -3.78 6.57 0.49 4.36 1.04 -1.26 -4.91 113.70 116.21 3if2 s SER 377 Ca 0.37 1.45 0.23 0.00 0.48 0.00 0.00 55.95 58.48 3if2 s SER 377 Cb 0.02 -2.46 1.27 0.00 0.10 0.00 0.00 66.02 64.95 3if2 s SER 377 CO 0.20 -0.57 2.03 0.71 0.98 0.00 0.00 173.24 176.59 3if2 h THR 378 N 0.85 0.77 -0.34 2.02 1.35 -0.96 0.16 112.91 116.77 3if2 h THR 378 Ca -0.47 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 64.74 3if2 h THR 378 Cb 1.19 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 3if2 h THR 378 CO 0.62 0.16 0.10 0.25 -0.25 0.00 0.00 175.52 176.39 3if2 h LEU 379 N 0.00 0.45 -0.01 3.87 5.85 -1.90 0.71 115.31 124.28 3if2 h LEU 379 Ca -0.00 -0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.47 3if2 h LEU 379 Cb 0.36 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.29 3if2 h LEU 379 CO 0.02 0.45 -0.78 -0.78 -0.34 0.00 0.00 178.44 177.01 3if2 h ASP 380 N 0.49 0.69 -0.46 1.25 1.82 -1.48 -3.00 116.42 115.73 3if2 h ASP 380 Ca 0.12 -0.75 0.05 0.00 -0.39 0.00 0.00 57.03 56.06 3if2 h ASP 380 Cb 0.17 -0.21 -0.05 0.00 0.68 0.00 0.00 39.33 39.92 3if2 h ASP 380 CO -0.01 1.35 0.19 0.25 -1.61 0.00 0.00 179.24 179.41 3if2 h LEU 381 N 0.11 0.23 -0.72 2.28 5.85 -0.78 -2.09 115.31 120.18 3if2 h LEU 381 Ca -0.10 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.79 3if2 h LEU 381 Cb 1.46 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.42 3if2 h LEU 381 CO 0.15 0.17 0.30 0.22 -0.34 0.00 0.00 178.44 178.94 3if2 h TYR 382 N 0.38 0.52 -0.54 1.25 3.20 -0.89 -0.89 116.97 120.00 3if2 h TYR 382 Ca 0.21 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 3if2 h TYR 382 Cb 0.18 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3if2 h TYR 382 CO -0.14 0.10 0.10 0.93 -1.64 0.00 0.00 178.16 177.51 3if2 h GLU 383 N 0.47 0.88 -0.36 1.82 4.39 -1.30 -0.55 114.58 119.93 3if2 h GLU 383 Ca 0.38 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3if2 h GLU 383 Cb 0.53 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3if2 h GLU 383 CO -0.36 0.85 -0.01 0.00 -1.16 0.00 0.00 179.01 178.33 3if2 h ARG 384 N 0.77 0.65 -0.59 2.33 3.08 -0.88 -2.23 114.38 117.53 3if2 h ARG 384 Ca 0.16 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 3if2 h ARG 384 Cb 0.39 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3if2 h ARG 384 CO 0.01 0.77 0.17 -0.07 -1.07 0.00 0.00 179.97 179.78 3if2 h LEU 385 N 0.46 0.87 -0.89 3.04 3.38 -1.15 -2.85 115.31 118.17 3if2 h LEU 385 Ca 0.10 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3if2 h LEU 385 Cb 0.48 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3if2 h LEU 385 CO 0.02 0.85 0.57 0.50 0.09 0.00 0.00 178.44 180.48 3if2 h LYS 386 N 0.83 1.06 0.00 1.13 3.64 -0.86 -0.84 116.57 121.53 3if2 h LYS 386 Ca 0.19 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3if2 h LYS 386 Cb 0.31 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3if2 h LYS 386 CO -0.00 0.70 -0.01 0.00 -2.27 0.00 0.00 179.45 177.87 3if2 h ALA 387 N 1.38 1.01 -0.52 5.00 0.00 -1.32 -2.78 119.26 122.03 3if2 h ALA 387 Ca 0.36 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 3if2 h ALA 387 Cb 0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3if2 h ALA 387 CO -0.13 0.01 0.09 1.63 0.00 0.00 0.00 179.25 180.85 3if2 n LYS 388 N -3.11 3.61 -0.74 0.00 5.02 -0.44 -4.99 118.16 117.51 3if2 n LYS 388 Ca 0.00 -3.05 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 3if2 n LYS 388 Cb 0.27 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3if2 n LYS 388 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3if2 n GLY 389 N -0.17 1.30 3.50 0.72 0.00 -0.92 -4.99 105.19 104.64 3if2 n GLY 389 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 3if2 n GLY 389 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3if2 s THR 390 N -3.49 4.24 -0.20 2.61 2.01 -0.50 -0.63 115.64 119.69 3if2 s THR 390 Ca 0.00 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 3if2 s THR 390 Cb 0.00 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 3if2 s THR 390 CO 0.00 0.42 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 3if2 s LEU 391 N 0.88 2.89 0.00 4.42 1.02 -0.61 -2.66 118.68 124.62 3if2 s LEU 391 Ca 0.02 -0.36 0.02 0.00 0.02 0.00 0.00 54.13 53.83 3if2 s LEU 391 Cb -0.14 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 3if2 s LEU 391 CO 0.02 0.03 0.07 2.30 0.02 0.00 0.00 176.35 178.80 3if2 n ILE 392 N 4.43 0.00 -4.79 -0.59 -6.64 -1.26 -0.96 119.36 109.56 3if2 n ILE 392 Ca -0.18 -1.80 -0.33 0.00 -1.77 0.00 0.00 62.75 58.67 3if2 n ILE 392 Cb 0.51 0.55 -0.16 0.00 -1.44 0.00 0.00 39.64 39.11 3if2 n ILE 392 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 3if2 s VAL 393 N -2.59 2.53 0.49 7.28 1.01 -0.85 -4.69 120.40 123.57 3if2 s VAL 393 Ca 0.10 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 3if2 s VAL 393 Cb 0.01 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 3if2 s VAL 393 CO 0.07 0.53 1.03 -2.16 0.00 0.00 0.00 175.10 174.57 3if2 s PRO 394 N 0.58 3.82 0.49 2.72 0.04 -1.26 -0.66 135.00 140.73 3if2 s PRO 394 Ca -0.10 1.32 0.25 0.00 0.04 0.00 0.00 61.00 62.50 3if2 s PRO 394 Cb -0.16 -2.10 1.29 0.00 0.04 0.00 0.00 34.50 33.57 3if2 s PRO 394 CO 0.04 -0.41 2.01 0.66 0.04 0.00 0.00 177.00 179.34 3if2 h SER 395 N 1.52 0.00 0.04 6.66 4.64 -1.50 -3.31 113.55 121.61 3if2 h SER 395 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3if2 h SER 395 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3if2 h SER 395 CO 0.59 0.16 0.00 -1.84 -0.87 0.00 0.00 176.83 174.87 3if2 n GLU 396 N -3.69 0.14 0.00 4.77 0.28 -0.69 -1.93 120.64 119.52 3if2 n GLU 396 Ca -0.02 0.62 0.13 0.00 -0.16 0.00 0.00 57.16 57.74 3if2 n GLU 396 Cb 0.28 -1.93 0.38 0.00 1.43 0.00 0.00 31.44 31.59 3if2 n GLU 396 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3if2 n TYR 397 N -2.22 0.00 -1.20 -1.84 4.01 -1.25 -4.36 117.16 110.30 3if2 n TYR 397 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.65 3if2 n TYR 397 Cb 0.04 -0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.31 3if2 n TYR 397 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3if2 n PHE 398 N 0.56 2.05 -3.51 -0.72 3.72 -0.82 -4.59 117.46 114.17 3if2 n PHE 398 Ca 0.17 -1.44 -0.27 0.00 -0.05 0.00 0.00 57.45 55.87 3if2 n PHE 398 Cb 0.44 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.22 3if2 n PHE 398 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3if2 n PHE 399 N -0.73 1.27 -1.93 1.38 3.01 -1.26 -1.15 117.46 118.05 3if2 n PHE 399 Ca 0.41 -3.81 -0.42 0.00 1.01 0.00 0.00 57.45 54.64 3if2 n PHE 399 Cb 1.31 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 40.48 3if2 n PHE 399 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3if2 s PRO 400 N -1.11 4.21 0.00 -1.08 0.02 -1.26 -2.70 135.00 133.07 3if2 s PRO 400 Ca 0.32 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3if2 s PRO 400 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.48 3if2 s PRO 400 CO -0.14 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 3if2 n GLY 401 N 2.81 0.41 3.53 0.52 0.00 -1.26 -4.49 105.19 106.71 3if2 n GLY 401 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3if2 n GLY 401 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3if2 s VAL 402 N -1.96 3.81 -0.64 1.61 1.01 -1.10 -4.65 120.40 118.48 3if2 s VAL 402 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 3if2 s VAL 402 Cb 0.00 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3if2 s VAL 402 CO 0.00 0.54 1.49 -0.62 0.00 0.00 0.00 175.10 176.51 3if2 s ASP 403 N -0.12 5.90 0.00 3.32 -1.08 -1.26 -4.86 116.67 118.57 3if2 s ASP 403 Ca 0.02 0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.33 3if2 s ASP 403 Cb -0.13 -2.55 1.08 0.00 -1.46 0.00 0.00 42.92 39.86 3if2 s ASP 403 CO 0.03 -1.95 1.75 1.33 0.52 0.00 0.00 175.17 176.85 3if2 n VAL 404 N 6.78 0.07 -0.00 1.11 0.24 -1.26 -4.41 118.33 120.85 3if2 n VAL 404 Ca 0.11 -0.22 0.07 0.00 -2.04 0.00 0.00 64.34 62.26 3if2 n VAL 404 Cb 0.50 0.23 0.46 0.00 -1.47 0.00 0.00 33.84 33.57 3if2 n VAL 404 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3if2 h SER 405 N 1.73 0.40 -1.18 -1.34 4.64 -1.99 -2.94 113.55 112.87 3if2 h SER 405 Ca 0.00 -0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3if2 h SER 405 Cb 0.37 -0.09 -0.41 0.00 -0.31 0.00 0.00 62.40 61.95 3if2 h SER 405 CO 0.00 0.28 -0.92 -0.67 -0.87 0.00 0.00 176.83 174.65 3if2 n ASP 406 N -4.48 3.49 -4.00 4.97 2.03 -1.26 -4.98 116.55 112.32 3if2 n ASP 406 Ca 0.05 -3.28 -0.31 0.00 0.52 0.00 0.00 54.79 51.76 3if2 n ASP 406 Cb 0.15 -0.47 -0.14 0.00 -0.72 0.00 0.00 41.12 39.94 3if2 n ASP 406 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3if2 s TYR 407 N -3.44 3.54 0.15 -0.67 5.04 -1.11 -5.01 117.35 115.85 3if2 s TYR 407 Ca 0.40 -3.03 -0.23 0.00 -2.44 0.00 0.00 57.07 51.77 3if2 s TYR 407 Cb 0.41 -2.92 0.03 0.00 0.35 0.00 0.00 41.96 39.84 3if2 s TYR 407 CO -0.08 -0.87 1.62 0.37 -1.34 0.00 0.00 175.55 175.25 3if2 h GLN 408 N 7.21 -0.26 -0.90 4.97 4.15 -1.94 -2.39 115.11 125.96 3if2 h GLN 408 Ca -0.06 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.48 3if2 h GLN 408 Cb 0.97 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.66 3if2 h GLN 408 CO 0.60 -0.17 0.58 1.25 -1.93 0.00 0.00 178.83 179.15 3if2 h HIS 409 N -0.27 0.97 0.00 3.99 2.76 -1.98 -0.36 115.15 120.26 3if2 h HIS 409 Ca 0.14 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3if2 h HIS 409 Cb 0.50 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3if2 h HIS 409 CO -0.44 0.44 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 3if2 n ALA 410 N -2.40 1.47 -0.19 5.26 0.00 -0.91 -2.26 120.51 121.49 3if2 n ALA 410 Ca 0.15 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3if2 n ALA 410 Cb 0.31 -1.29 0.18 0.00 0.00 0.00 0.00 19.45 18.66 3if2 n ALA 410 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3if2 n HIS 411 N -1.96 0.55 0.10 0.00 8.25 -0.15 -1.70 115.22 120.31 3if2 n HIS 411 Ca 0.02 -0.48 0.02 0.00 -0.26 0.00 0.00 57.72 57.02 3if2 n HIS 411 Cb 0.15 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.28 3if2 n HIS 411 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3if2 n GLU 412 N 0.75 0.88 -4.44 -0.41 1.02 -0.96 -0.29 120.64 117.20 3if2 n GLU 412 Ca 0.14 -1.14 -0.22 0.00 -0.02 0.00 0.00 57.16 55.92 3if2 n GLU 412 Cb 0.46 -1.10 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 3if2 n GLU 412 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if2 s ILE 414 N -2.75 0.53 0.56 0.00 -4.36 -0.21 -1.56 121.20 113.41 3if2 s ILE 414 Ca 0.28 -1.01 0.09 0.00 -0.26 0.00 0.00 60.65 59.76 3if2 s ILE 414 Cb -0.01 -0.58 0.08 0.00 1.25 0.00 0.00 42.46 43.20 3if2 s ILE 414 CO 0.12 -0.34 0.77 -0.60 0.24 0.00 0.00 174.94 175.13 3if2 s ARG 415 N -1.45 2.34 -0.07 0.37 3.52 0.16 -1.45 118.95 122.37 3if2 s ARG 415 Ca -0.09 -1.63 -0.00 0.00 -0.13 0.00 0.00 55.73 53.88 3if2 s ARG 415 Cb -0.09 -2.64 0.02 0.00 -1.56 0.00 0.00 34.95 30.68 3if2 s ARG 415 CO 0.00 -0.82 -0.03 0.45 -0.81 0.00 0.00 175.30 174.09 3if2 s SER 417 N -4.64 1.46 0.00 -2.12 0.15 0.60 -2.01 113.70 107.15 3if2 s SER 417 Ca 0.61 -0.14 0.18 0.00 0.70 0.00 0.00 55.95 57.30 3if2 s SER 417 Cb -0.06 -0.52 0.51 0.00 -1.71 0.00 0.00 66.02 64.24 3if2 s SER 417 CO 0.38 -0.13 1.42 2.30 1.20 0.00 0.00 173.24 178.41 3if2 n ILE 418 N 4.69 0.56 0.29 6.45 -6.64 -0.44 -4.03 119.36 120.24 3if2 n ILE 418 Ca -0.15 -0.63 0.13 0.00 -1.77 0.00 0.00 62.75 60.34 3if2 n ILE 418 Cb 0.50 0.45 0.32 0.00 -1.44 0.00 0.00 39.64 39.47 3if2 n ILE 418 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3if2 h ALA 419 N 4.06 1.00 -2.51 -1.28 0.00 -1.90 -3.44 119.26 115.19 3if2 h ALA 419 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3if2 h ALA 419 Cb 0.70 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.64 3if2 h ALA 419 CO 0.00 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.59 3if2 s ALA 420 N -3.30 2.03 0.84 0.00 0.00 -1.26 -4.42 121.76 115.67 3if2 s ALA 420 Ca 0.06 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 3if2 s ALA 420 Cb 0.07 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.87 3if2 s ALA 420 CO 0.62 -1.99 1.11 0.16 0.00 0.00 0.00 175.76 175.67 3if2 s ASP 421 N -2.44 3.75 0.20 0.00 1.47 -1.26 -4.79 116.67 113.60 3if2 s ASP 421 Ca 0.70 1.92 -0.11 0.00 1.18 0.00 0.00 52.55 56.23 3if2 s ASP 421 Cb -0.25 -2.50 0.22 0.00 -0.34 0.00 0.00 42.92 40.05 3if2 s ASP 421 CO 0.49 -2.53 1.75 -0.08 0.68 0.00 0.00 175.17 175.48 3if2 h GLU 422 N -1.47 0.38 -0.27 2.11 4.81 -1.97 -1.96 114.58 116.21 3if2 h GLU 422 Ca -0.44 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.72 3if2 h GLU 422 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3if2 h GLU 422 CO 0.48 0.25 -0.03 0.37 -0.73 0.00 0.00 179.01 179.35 3if2 h GLN 423 N 0.39 0.42 -0.40 1.92 5.75 -2.00 -1.50 115.11 119.69 3if2 h GLN 423 Ca 0.27 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 3if2 h GLN 423 Cb 0.30 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3if2 h GLN 423 CO -0.27 0.47 0.04 1.15 -2.65 0.00 0.00 178.83 177.58 3if2 h THR 424 N 0.40 1.25 -0.68 2.39 2.02 -1.73 -2.12 112.91 114.44 3if2 h THR 424 Ca 0.09 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 3if2 h THR 424 Cb 0.32 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3if2 h THR 424 CO 0.01 0.31 0.21 -0.07 0.37 0.00 0.00 175.52 176.36 3if2 h LEU 425 N 0.52 0.97 0.15 2.58 3.38 -0.93 -0.44 115.31 121.54 3if2 h LEU 425 Ca 0.12 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3if2 h LEU 425 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3if2 h LEU 425 CO 0.01 0.91 -0.07 0.40 0.09 0.00 0.00 178.44 179.78 3if2 h ILE 426 N 1.01 0.98 -0.18 1.22 2.04 -1.22 -1.93 117.51 119.42 3if2 h ILE 426 Ca 0.22 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3if2 h ILE 426 Cb 0.28 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3if2 h ILE 426 CO -0.01 0.13 0.09 0.44 0.00 0.00 0.00 178.15 178.81 3if2 h ASP 427 N -0.47 0.23 0.03 1.72 3.32 -1.37 -1.91 116.42 117.97 3if2 h ASP 427 Ca -0.02 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3if2 h ASP 427 Cb 0.37 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3if2 h ASP 427 CO 0.03 0.27 -0.01 1.23 -1.72 0.00 0.00 179.24 179.04 3if2 h GLY 428 N 0.17 -0.04 1.44 2.75 0.00 -1.15 -2.51 103.07 103.73 3if2 h GLY 428 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3if2 h GLY 428 CO -0.01 -0.01 0.09 -2.22 0.00 0.00 0.00 176.54 174.39 3if2 h ILE 429 N -0.14 1.21 -0.35 2.60 2.04 -1.40 -0.38 117.51 121.09 3if2 h ILE 429 Ca -0.00 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.12 3if2 h ILE 429 Cb 0.13 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3if2 h ILE 429 CO 0.01 0.28 0.10 0.50 0.00 0.00 0.00 178.15 179.04 3if2 h LYS 430 N 0.69 0.23 -0.26 2.37 3.64 -1.15 0.20 116.57 122.29 3if2 h LYS 430 Ca 0.15 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3if2 h LYS 430 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3if2 h LYS 430 CO 0.00 0.15 -0.12 0.28 -2.27 0.00 0.00 179.45 177.49 3if2 h VAL 431 N 0.24 1.30 -0.86 2.00 2.07 -1.10 -1.64 116.25 118.26 3if2 h VAL 431 Ca 0.16 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.57 3if2 h VAL 431 Cb 0.15 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3if2 h VAL 431 CO -0.18 0.38 0.51 0.40 0.02 0.00 0.00 177.57 178.69 3if2 h ILE 432 N 0.27 0.94 -0.19 4.57 2.04 -0.86 -1.20 117.51 123.08 3if2 h ILE 432 Ca 0.06 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3if2 h ILE 432 Cb 0.63 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3if2 h ILE 432 CO 0.04 0.16 0.03 1.23 0.00 0.00 0.00 178.15 179.61 3if2 h GLY 433 N 0.86 0.33 0.90 5.37 0.00 -0.38 -2.17 103.07 107.99 3if2 h GLY 433 Ca 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3if2 h GLY 433 CO -0.23 0.21 -0.08 0.83 0.00 0.00 0.00 176.54 177.26 3if2 h GLU 434 N 0.10 -0.23 -0.31 4.80 5.08 -1.00 -0.61 114.58 122.41 3if2 h GLU 434 Ca 0.06 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3if2 h GLU 434 Cb 0.31 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3if2 h GLU 434 CO 0.00 -0.07 0.16 0.28 -1.00 0.00 0.00 179.01 178.39 3if2 h VAL 435 N -0.34 1.00 -0.28 3.13 2.07 -1.28 -1.83 116.25 118.73 3if2 h VAL 435 Ca -0.02 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 3if2 h VAL 435 Cb 0.27 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3if2 h VAL 435 CO 0.04 0.06 -0.24 0.58 0.02 0.00 0.00 177.57 178.03 3if2 h VAL 436 N 0.34 1.30 -0.51 2.57 2.07 -1.36 -2.28 116.25 118.38 3if2 h VAL 436 Ca 0.13 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3if2 h VAL 436 Cb 0.03 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3if2 h VAL 436 CO -0.08 0.44 0.33 0.03 0.02 0.00 0.00 177.57 178.32 3if2 h ARG 437 N 0.39 0.68 -0.99 1.57 3.08 -1.04 -1.61 114.38 116.46 3if2 h ARG 437 Ca 0.05 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3if2 h ARG 437 Cb 0.80 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 3if2 h ARG 437 CO 0.06 0.46 0.64 1.49 -1.07 0.00 0.00 179.97 181.56 3if2 h GLU 438 N 0.69 1.18 -0.02 0.04 4.22 -1.26 -0.23 114.58 119.21 3if2 h GLU 438 Ca 0.19 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 3if2 h GLU 438 Cb -0.06 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.92 3if2 h GLU 438 CO -0.04 0.78 0.00 -0.07 -2.18 0.00 0.00 179.01 177.50 3if2 h LEU 439 N 1.21 0.03 -1.28 1.64 4.07 -1.06 -3.18 115.31 116.73 3if2 h LEU 439 Ca 0.40 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 3if2 h LEU 439 Cb 0.06 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 3if2 h LEU 439 CO -0.14 0.29 -0.06 1.88 -1.08 0.00 0.00 178.44 179.33 3if2 h TYR 440 N -0.23 0.43 0.00 1.13 0.05 -0.95 -3.07 116.97 114.33 3if2 h TYR 440 Ca 0.01 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.74 3if2 h TYR 440 Cb 0.27 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3if2 h TYR 440 CO 0.02 0.48 0.00 -0.25 -1.05 0.00 0.00 178.16 177.35 3if2 n ASP 441 N -4.27 0.43 -3.97 3.88 8.00 -0.13 -4.47 116.55 116.03 3if2 n ASP 441 Ca 0.01 0.61 -0.31 0.00 0.71 0.00 0.00 54.79 55.81 3if2 n ASP 441 Cb 0.26 -0.70 -0.15 0.00 -0.02 0.00 0.00 41.12 40.50 3if2 n ASP 441 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3if2 s ASN 442 N -3.80 4.43 0.00 -2.24 0.01 -1.16 -5.09 114.94 107.09 3if2 s ASN 442 Ca 0.05 -1.77 0.00 0.00 -0.71 0.00 0.00 52.86 50.43 3if2 s ASN 442 Cb 0.09 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.34 3if2 s ASN 442 CO 0.33 -0.33 0.00 2.29 -1.51 0.00 0.00 177.10 177.89