#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 0.61 0.26 1.61 -0.14 -1.26 -5.32 119.74 115.50 3if2 s LYS 2 Ca 0.00 1.15 0.06 0.00 -1.36 0.00 0.00 55.97 55.82 3if2 s LYS 2 Cb 0.00 0.27 -0.03 0.00 -1.68 0.00 0.00 37.83 36.39 3if2 s LYS 2 CO 0.00 -0.14 0.30 -0.06 -0.76 0.00 0.00 175.35 174.68 3if2 s PHE 3 N 1.84 3.24 1.02 3.18 0.08 -1.26 -5.13 117.98 120.95 3if2 s PHE 3 Ca -0.09 -0.09 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 3if2 s PHE 3 Cb -0.06 -1.55 0.21 0.00 -0.57 0.00 0.00 43.02 41.05 3if2 s PHE 3 CO -0.19 0.42 1.23 -1.54 -0.10 0.00 0.00 175.22 175.04 3if2 s SER 4 N -3.94 2.60 0.26 1.36 1.04 -1.26 -4.76 113.70 109.00 3if2 s SER 4 Ca 0.35 0.49 -0.05 0.00 0.48 0.00 0.00 55.95 57.22 3if2 s SER 4 Cb -0.08 -0.68 0.31 0.00 0.10 0.00 0.00 66.02 65.67 3if2 s SER 4 CO 0.27 -3.07 1.93 0.11 0.98 0.00 0.00 173.24 173.46 3if2 h LYS 5 N -1.87 1.24 -0.01 4.02 1.57 -2.00 0.72 116.57 120.24 3if2 h LYS 5 Ca -0.45 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.26 3if2 h LYS 5 Cb 1.27 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 3if2 h LYS 5 CO 0.41 0.84 -0.15 0.35 -0.57 0.00 0.00 179.45 180.33 3if2 h PHE 6 N 1.27 -0.39 -0.83 -1.35 3.57 -1.92 -2.16 116.94 115.12 3if2 h PHE 6 Ca 0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3if2 h PHE 6 Cb -0.11 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3if2 h PHE 6 CO 0.00 -0.22 0.48 0.78 -2.23 0.00 0.00 178.31 177.12 3if2 h GLY 7 N -0.25 1.22 1.47 2.40 0.00 -1.76 -2.71 103.07 103.45 3if2 h GLY 7 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3if2 h GLY 7 CO -0.15 0.51 0.34 1.46 0.00 0.00 0.00 176.54 178.70 3if2 h GLN 8 N 1.15 0.71 -0.61 4.80 4.20 -0.69 -0.26 115.11 124.40 3if2 h GLN 8 Ca 0.30 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 3if2 h GLN 8 Cb -0.01 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3if2 h GLN 8 CO -0.05 0.48 0.24 -0.22 -0.67 0.00 0.00 178.83 178.60 3if2 h LYS 9 N 0.72 0.91 0.00 1.46 3.64 -1.06 -0.53 116.57 121.71 3if2 h LYS 9 Ca 0.19 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 3if2 h LYS 9 Cb -0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 3if2 h LYS 9 CO -0.04 0.78 -0.50 0.74 -2.27 0.00 0.00 179.45 178.16 3if2 h PHE 10 N 0.85 0.00 0.00 1.91 0.04 -1.44 -3.23 116.94 115.06 3if2 h PHE 10 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3if2 h PHE 10 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3if2 h PHE 10 CO 0.01 0.42 -0.01 1.15 -0.60 0.00 0.00 178.31 179.28 3if2 h THR 11 N 0.00 0.00 -3.21 -1.55 2.02 -0.94 -3.47 112.91 105.76 3if2 h THR 11 Ca -0.01 -0.58 -0.53 0.00 0.77 0.00 0.00 66.41 66.06 3if2 h THR 11 Cb 1.33 1.57 0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3if2 h THR 11 CO 0.05 0.00 0.66 0.00 0.37 0.00 0.00 175.52 176.60 3if2 s GLN 12 N -3.12 4.38 0.37 6.66 -2.07 -0.22 -5.00 119.66 120.66 3if2 s GLN 12 Ca 0.10 2.00 -0.27 0.00 -1.82 0.00 0.00 55.36 55.37 3if2 s GLN 12 Cb 0.11 -3.24 -0.09 0.00 -1.09 0.00 0.00 33.01 28.69 3if2 s GLN 12 CO 0.61 -0.32 1.27 -2.14 -1.32 0.00 0.00 175.29 173.40 3if2 s PRO 13 N 0.55 4.16 0.18 9.60 0.02 -1.26 -4.95 135.00 143.31 3if2 s PRO 13 Ca 0.60 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.71 3if2 s PRO 13 Cb -0.35 -2.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3if2 s PRO 13 CO 0.33 -0.31 0.13 0.95 -0.33 0.00 0.00 177.00 177.77 3if2 s THR 14 N -1.23 0.03 0.25 0.99 -4.23 -1.26 -5.00 115.64 105.18 3if2 s THR 14 Ca 0.53 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 3if2 s THR 14 Cb -0.37 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.33 3if2 s THR 14 CO 0.48 -0.11 1.87 1.23 -0.54 0.00 0.00 174.62 177.55 3if2 h GLY 15 N 2.66 1.37 0.95 3.99 0.00 -2.00 -0.98 103.07 109.06 3if2 h GLY 15 Ca -0.35 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 3if2 h GLY 15 CO 0.54 0.33 -0.31 -2.22 0.00 0.00 0.00 176.54 174.88 3if2 h ILE 16 N 1.10 1.31 -0.40 2.60 2.04 -1.98 -2.38 117.51 119.80 3if2 h ILE 16 Ca 0.39 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.75 3if2 h ILE 16 Cb 0.10 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3if2 h ILE 16 CO -0.15 0.47 0.26 -1.28 0.00 0.00 0.00 178.15 177.45 3if2 h SER 17 N 0.37 0.45 -0.48 1.72 0.87 -1.88 -3.12 113.55 111.49 3if2 h SER 17 Ca 0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3if2 h SER 17 Cb 0.89 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3if2 h SER 17 CO 0.07 0.33 0.25 1.56 -0.53 0.00 0.00 176.83 178.51 3if2 h GLN 18 N 0.54 0.67 -0.92 2.24 1.08 -1.21 -1.92 115.11 115.59 3if2 h GLN 18 Ca 0.15 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3if2 h GLN 18 Cb -0.06 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 3if2 h GLN 18 CO -0.04 0.55 0.00 -0.11 -0.95 0.00 0.00 178.83 178.28 3if2 n LEU 19 N -4.65 0.25 0.00 1.46 7.94 -0.90 -1.90 117.00 119.20 3if2 n LEU 19 Ca 0.02 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.79 3if2 n LEU 19 Cb 0.10 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3if2 n LEU 19 CO 0.36 0.05 0.00 0.47 -1.11 0.00 0.00 177.39 177.16 3if2 n ASP 21 N 0.66 0.00 -0.15 1.96 8.00 -0.72 -1.80 116.55 124.50 3if2 n ASP 21 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3if2 n ASP 21 Cb 0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.88 -0.32 -2.24 3.32 -1.66 -0.22 116.42 116.18 3if2 h ASP 22 Ca 0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 3if2 h ASP 22 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3if2 h ASP 22 CO 0.00 1.06 0.15 -0.07 -1.72 0.00 0.00 179.24 178.66 3if2 h LEU 23 N 0.70 0.42 -1.34 1.55 4.07 -1.65 -2.79 115.31 116.27 3if2 h LEU 23 Ca 0.11 -0.13 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 3if2 h LEU 23 Cb 0.70 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 3if2 h LEU 23 CO 0.05 0.43 -0.33 1.23 -1.08 0.00 0.00 178.44 178.74 3if2 h GLY 24 N 0.39 0.00 0.75 0.83 0.00 -1.82 -2.83 103.07 100.38 3if2 h GLY 24 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3if2 h GLY 24 CO -0.01 0.00 -0.13 -0.55 0.00 0.00 0.00 176.54 175.85 3if2 h ASP 25 N 0.00 0.38 -0.13 0.19 5.19 -0.91 -2.57 116.42 118.57 3if2 h ASP 25 Ca -0.00 -0.46 -0.02 0.00 -0.62 0.00 0.00 57.03 55.93 3if2 h ASP 25 Cb 0.60 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 3if2 h ASP 25 CO 0.04 0.76 0.01 0.00 -3.12 0.00 0.00 179.24 176.94 3if2 h ALA 26 N 0.63 0.18 -1.00 3.45 0.00 -1.53 -1.87 119.26 119.12 3if2 h ALA 26 Ca 0.03 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.96 3if2 h ALA 26 Cb 0.64 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 3if2 h ALA 26 CO 0.03 -0.15 0.61 -0.07 0.00 0.00 0.00 179.25 179.68 3if2 h LEU 27 N -0.02 0.78 -1.52 0.00 4.07 -1.59 -1.82 115.31 115.22 3if2 h LEU 27 Ca 0.04 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3if2 h LEU 27 Cb 0.33 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3if2 h LEU 27 CO 0.00 0.27 0.00 0.29 -1.08 0.00 0.00 178.44 177.92 3if2 n LYS 28 N -4.77 2.00 -3.35 1.13 4.01 -0.97 -5.00 118.16 111.21 3if2 n LYS 28 Ca 0.24 -1.51 -0.19 0.00 -0.51 0.00 0.00 58.31 56.34 3if2 n LYS 28 Cb 0.58 -1.44 -0.00 0.00 -0.51 0.00 0.00 35.03 33.66 3if2 n LYS 28 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3if2 s SER 29 N -1.57 5.74 -0.00 4.39 0.15 -0.68 -5.05 113.70 116.67 3if2 s SER 29 Ca 0.34 -0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.59 3if2 s SER 29 Cb 0.19 -0.96 -0.30 0.00 -1.71 0.00 0.00 66.02 63.24 3if2 s SER 29 CO 0.28 -0.55 0.84 0.44 1.20 0.00 0.00 173.24 175.45 3if2 h ASP 30 N 0.85 0.51 -2.00 5.45 3.32 -1.90 -3.46 116.42 119.20 3if2 h ASP 30 Ca -0.43 -0.69 -0.59 0.00 0.02 0.00 0.00 57.03 55.34 3if2 h ASP 30 Cb 1.26 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.66 3if2 h ASP 30 CO 0.51 1.57 1.32 0.00 -1.72 0.00 0.00 179.24 180.92 3if2 n GLN 31 N -3.53 2.18 -2.26 3.56 1.13 -1.26 -4.95 117.38 112.25 3if2 n GLN 31 Ca -0.18 0.72 -0.36 0.00 -1.94 0.00 0.00 57.00 55.23 3if2 n GLN 31 Cb 1.06 -2.94 -0.01 0.00 0.11 0.00 0.00 30.24 28.46 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 5.27 3.62 0.08 -1.09 0.04 -1.26 -5.01 135.00 136.65 3if2 s PRO 32 Ca 0.97 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 3if2 s PRO 32 Cb -0.51 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3if2 s PRO 32 CO 0.43 -0.65 0.02 0.14 0.04 0.00 0.00 177.00 176.97 3if2 s VAL 33 N -1.62 0.17 0.51 -0.36 -7.23 -1.26 -4.95 120.40 105.65 3if2 s VAL 33 Ca 0.67 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 3if2 s VAL 33 Cb -0.27 -1.70 0.10 0.00 0.56 0.00 0.00 36.38 35.08 3if2 s VAL 33 CO 0.32 -0.78 0.70 0.59 -0.31 0.00 0.00 175.10 175.62 3if2 n ASN 34 N 0.02 0.91 0.00 4.85 3.02 -0.00 -5.03 115.26 119.03 3if2 n ASN 34 Ca -0.11 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 3if2 n ASN 34 Cb 0.62 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.17 3.41 4.77 -0.32 -1.45 117.00 123.23 3if2 n LEU 36 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 3if2 n LEU 36 Cb 0.41 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3if2 n LEU 36 CO 0.28 0.00 0.22 0.61 -1.33 0.00 0.00 177.39 177.17 3if2 n GLY 37 N 0.00 -0.35 3.21 -0.72 0.00 -0.65 -0.32 105.19 106.36 3if2 n GLY 37 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3if2 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if2 n GLY 38 N 0.66 0.69 0.13 -0.02 0.00 -1.26 -4.72 105.19 100.67 3if2 n GLY 38 Ca 0.03 -2.02 0.05 0.00 0.00 0.00 0.00 46.02 44.08 3if2 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3if2 n GLY 39 N -1.32 3.88 3.73 -0.02 0.00 -1.26 -4.71 105.19 105.49 3if2 n GLY 39 Ca 0.14 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.88 6.99 1.05 1.61 2.47 -1.26 -5.01 114.94 118.90 3if2 s ASN 40 Ca 0.18 2.27 -0.12 0.00 0.42 0.00 0.00 52.86 55.62 3if2 s ASN 40 Cb 0.15 -2.60 0.22 0.00 -1.45 0.00 0.00 41.25 37.57 3if2 s ASN 40 CO 0.03 -0.48 1.07 -2.16 -3.72 0.00 0.00 177.10 171.84 3if2 s PRO 41 N 0.16 0.02 0.70 0.43 0.04 -1.26 -4.88 135.00 130.20 3if2 s PRO 41 Ca 0.56 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 3if2 s PRO 41 Cb -0.34 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3if2 s PRO 41 CO 0.35 -3.10 1.06 0.00 0.04 0.00 0.00 177.00 175.36 3if2 s ALA 42 N -2.68 2.62 -0.74 8.56 0.00 -1.26 -4.99 121.76 123.27 3if2 s ALA 42 Ca 0.67 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 3if2 s ALA 42 Cb -0.22 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 19.79 3if2 s ALA 42 CO 0.61 -1.26 1.01 0.21 0.00 0.00 0.00 175.76 176.33 3if2 s LYS 43 N -4.91 3.26 -0.32 0.00 2.20 -1.26 -4.93 119.74 113.78 3if2 s LYS 43 Ca 0.59 -1.14 -0.10 0.00 -0.36 0.00 0.00 55.97 54.97 3if2 s LYS 43 Cb -0.15 -4.46 -0.00 0.00 -1.51 0.00 0.00 37.83 31.71 3if2 s LYS 43 CO 0.53 -1.80 0.16 0.42 -0.36 0.00 0.00 175.35 174.30 3if2 s ILE 44 N 3.62 4.63 0.16 5.43 1.01 -1.26 -5.03 121.20 129.77 3if2 s ILE 44 Ca 0.25 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 3if2 s ILE 44 Cb -0.13 -3.38 0.04 0.00 0.01 0.00 0.00 42.46 38.99 3if2 s ILE 44 CO 0.04 0.04 1.80 0.44 0.00 0.00 0.00 174.94 177.25 3if2 h ASP 45 N 8.37 0.39 -0.65 3.58 3.32 -1.99 -1.85 116.42 127.58 3if2 h ASP 45 Ca -0.31 0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.77 3if2 h ASP 45 Cb 1.14 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3if2 h ASP 45 CO 0.62 0.28 0.43 0.00 -1.72 0.00 0.00 179.24 178.85 3if2 h ALA 46 N 1.20 1.60 0.09 3.45 0.00 -1.99 -1.03 119.26 122.58 3if2 h ALA 46 Ca 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3if2 h ALA 46 Cb 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3if2 h ALA 46 CO -0.09 0.34 -0.04 0.28 0.00 0.00 0.00 179.25 179.74 3if2 h VAL 47 N 0.82 1.08 -0.10 0.00 2.07 -1.83 -2.99 116.25 115.30 3if2 h VAL 47 Ca 0.25 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3if2 h VAL 47 Cb 0.01 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3if2 h VAL 47 CO -0.06 0.15 -0.19 0.78 0.02 0.00 0.00 177.57 178.27 3if2 h ASN 48 N -0.41 0.15 -0.71 0.57 2.35 -1.02 -2.03 115.58 114.48 3if2 h ASN 48 Ca -0.01 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3if2 h ASN 48 Cb 0.35 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3if2 h ASN 48 CO 0.02 0.35 0.30 -0.33 -1.65 0.00 0.00 177.43 176.12 3if2 h GLU 49 N 0.15 1.06 -0.27 0.81 5.08 -1.19 -0.49 114.58 119.73 3if2 h GLU 49 Ca 0.03 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3if2 h GLU 49 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3if2 h GLU 49 CO 0.03 0.86 -0.22 1.25 -1.00 0.00 0.00 179.01 179.93 3if2 h LEU 50 N 1.04 0.65 -0.95 1.33 5.85 -1.30 -2.54 115.31 119.40 3if2 h LEU 50 Ca 0.24 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3if2 h LEU 50 Cb 0.18 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3if2 h LEU 50 CO -0.02 0.97 0.29 -0.26 -0.34 0.00 0.00 178.44 179.07 3if2 h PHE 51 N 0.34 1.06 -0.55 1.25 0.04 -1.27 -1.16 116.94 116.66 3if2 h PHE 51 Ca 0.05 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 3if2 h PHE 51 Cb 0.76 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3if2 h PHE 51 CO 0.07 0.81 -0.08 1.25 -0.60 0.00 0.00 178.31 179.75 3if2 h LEU 52 N 1.03 1.02 0.00 1.54 5.85 -1.08 -0.57 115.31 123.10 3if2 h LEU 52 Ca 0.24 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3if2 h LEU 52 Cb 0.19 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3if2 h LEU 52 CO -0.02 1.11 -0.00 -0.08 -0.34 0.00 0.00 178.44 179.11 3if2 h GLU 53 N 0.91 -0.00 -0.43 1.25 4.81 -1.32 -1.31 114.58 118.49 3if2 h GLU 53 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3if2 h GLU 53 Cb 0.64 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3if2 h GLU 53 CO 0.04 0.08 0.29 1.15 -0.73 0.00 0.00 179.01 179.84 3if2 h THR 54 N -0.08 1.11 -0.27 0.32 2.02 -1.13 -1.51 112.91 113.36 3if2 h THR 54 Ca -0.00 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.04 3if2 h THR 54 Cb 0.08 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 3if2 h THR 54 CO 0.00 0.11 -0.10 0.22 0.37 0.00 0.00 175.52 176.11 3if2 h TYR 55 N 0.59 -0.24 -0.33 3.16 3.20 -0.98 -1.31 116.97 121.06 3if2 h TYR 55 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3if2 h TYR 55 Cb -0.07 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3if2 h TYR 55 CO -0.05 -0.17 0.17 0.87 -1.64 0.00 0.00 178.16 177.35 3if2 h LYS 56 N -0.05 0.46 -0.97 1.82 1.57 -1.12 -3.02 116.57 115.26 3if2 h LYS 56 Ca 0.14 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3if2 h LYS 56 Cb 0.27 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 3if2 h LYS 56 CO -0.31 0.41 0.63 0.00 -0.57 0.00 0.00 179.45 179.60 3if2 h ALA 57 N 1.03 1.44 0.00 3.86 0.00 -0.85 -1.74 119.26 123.01 3if2 h ALA 57 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3if2 h ALA 57 Cb 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3if2 h ALA 57 CO -0.02 0.41 -0.11 -0.07 0.00 0.00 0.00 179.25 179.47 3if2 h LEU 58 N 1.13 0.00 -0.94 0.00 3.38 -1.13 -2.54 115.31 115.21 3if2 h LEU 58 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3if2 h LEU 58 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3if2 h LEU 58 CO -0.16 0.11 -0.32 0.61 0.09 0.00 0.00 178.44 178.77 3if2 n GLY 59 N -0.58 -0.06 0.31 0.83 0.00 -0.70 -0.69 105.19 104.30 3if2 n GLY 59 Ca -0.01 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.05 1.76 -0.97 1.61 3.02 -0.94 -4.69 115.26 115.00 3if2 n ASN 60 Ca 0.11 -1.42 0.07 0.00 -0.03 0.00 0.00 54.58 53.32 3if2 n ASN 60 Cb 0.44 -0.03 0.22 0.00 -0.61 0.00 0.00 39.78 39.80 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 0.35 2.82 -4.75 6.41 5.75 -1.10 -4.94 116.55 121.09 3if2 n ASP 61 Ca 0.05 -2.12 -0.33 0.00 -0.01 0.00 0.00 54.79 52.38 3if2 n ASP 61 Cb 0.21 -0.38 0.07 0.00 -1.03 0.00 0.00 41.12 40.00 3if2 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3if2 s ASN 62 N -0.90 4.64 0.66 -1.12 4.22 -1.26 -4.79 114.94 116.39 3if2 s ASN 62 Ca 0.32 2.10 -0.14 0.00 -2.14 0.00 0.00 52.86 53.00 3if2 s ASN 62 Cb 0.18 -2.56 -0.00 0.00 1.28 0.00 0.00 41.25 40.15 3if2 s ASN 62 CO 0.19 -1.95 1.08 -1.81 -2.04 0.00 0.00 177.10 172.58 3if2 s ASP 63 N -2.51 5.29 0.09 3.54 1.01 -1.26 -4.93 116.67 117.90 3if2 s ASP 63 Ca 0.68 1.87 -0.35 0.00 0.71 0.00 0.00 52.55 55.47 3if2 s ASP 63 Cb -0.23 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.02 3if2 s ASP 63 CO 0.45 -1.51 1.55 0.41 0.21 0.00 0.00 175.17 176.28 3if2 n THR 64 N -2.51 0.08 -1.47 -1.27 -1.04 -1.26 -1.93 114.28 104.88 3if2 n THR 64 Ca 0.09 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.93 3if2 n THR 64 Cb 0.53 -1.34 -0.07 0.00 -1.82 0.00 0.00 70.33 67.62 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 3.29 1.54 3.37 3.41 0.00 -1.26 -4.99 105.19 110.55 3if2 n GLY 65 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.36 1.37 0.18 1.61 1.02 -0.81 -5.08 119.74 114.67 3if2 s LYS 66 Ca 0.00 -1.43 -0.01 0.00 0.02 0.00 0.00 55.97 54.55 3if2 s LYS 66 Cb 0.00 -1.57 0.08 0.00 -0.52 0.00 0.00 37.83 35.82 3if2 s LYS 66 CO 0.00 0.33 1.45 0.00 -0.92 0.00 0.00 175.35 176.21 3if2 h ALA 67 N 3.32 0.63 0.00 5.17 0.00 -1.94 -3.41 119.26 123.03 3if2 h ALA 67 Ca -0.45 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.87 3if2 h ALA 67 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3if2 h ALA 67 CO 0.48 0.76 0.01 0.27 0.00 0.00 0.00 179.25 180.78 3if2 n ASN 68 N -3.84 0.00 -4.80 0.00 6.94 -1.26 -4.81 115.26 107.48 3if2 n ASN 68 Ca -0.04 -0.28 -0.31 0.00 -0.02 0.00 0.00 54.58 53.92 3if2 n ASN 68 Cb 0.69 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.17 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 0.57 5.18 0.24 0.53 1.04 -1.26 -4.45 113.70 115.55 3if2 s SER 69 Ca 0.00 1.71 -0.06 0.00 0.48 0.00 0.00 55.95 58.08 3if2 s SER 69 Cb 0.00 -2.51 0.30 0.00 0.10 0.00 0.00 66.02 63.91 3if2 s SER 69 CO 0.00 -1.58 1.87 0.28 0.98 0.00 0.00 173.24 174.79 3if2 h SER 70 N -0.68 0.92 -0.35 7.02 0.02 -1.73 -1.26 113.55 117.49 3if2 h SER 70 Ca -0.44 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.57 3if2 h SER 70 Cb 1.22 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 3if2 h SER 70 CO 0.55 0.62 0.02 0.00 -1.14 0.00 0.00 176.83 176.88 3if2 h ALA 71 N 1.38 0.34 -0.53 3.77 0.00 -1.28 -1.50 119.26 121.44 3if2 h ALA 71 Ca 0.36 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3if2 h ALA 71 Cb 0.06 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3if2 h ALA 71 CO -0.14 -0.38 0.02 0.82 0.00 0.00 0.00 179.25 179.58 3if2 h ILE 72 N 0.13 1.25 -0.44 0.00 1.08 -1.70 -3.18 117.51 114.65 3if2 h ILE 72 Ca 0.17 -1.04 -0.09 0.00 -0.39 0.00 0.00 64.86 63.51 3if2 h ILE 72 Cb 0.22 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3if2 h ILE 72 CO -0.26 0.37 -0.09 0.40 -0.69 0.00 0.00 178.15 177.88 3if2 h ILE 73 N 0.83 1.27 0.00 -0.67 2.04 -0.69 -0.21 117.51 120.08 3if2 h ILE 73 Ca 0.16 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3if2 h ILE 73 Cb 0.47 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3if2 h ILE 73 CO 0.02 0.41 0.00 -0.24 0.00 0.00 0.00 178.15 178.34 3if2 n SER 74 N -4.30 0.28 0.00 1.72 2.88 -0.62 -2.92 113.62 110.66 3if2 n SER 74 Ca -0.00 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 3if2 n SER 74 Cb 0.37 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.38 0.00 -2.77 -1.46 0.00 -0.09 -4.83 120.51 111.74 3if2 n ALA 76 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3if2 n ALA 76 Cb 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 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 0.88 0.36 0.00 0.01 -1.15 -5.14 114.94 109.90 3if2 s ASN 77 Ca 0.00 -0.29 -0.27 0.00 -0.71 0.00 0.00 52.86 51.59 3if2 s ASN 77 Cb 0.00 -0.05 -0.09 0.00 0.41 0.00 0.00 41.25 41.52 3if2 s ASN 77 CO 0.00 -0.02 1.19 -0.31 -1.51 0.00 0.00 177.10 176.45 3if2 s TYR 78 N -0.62 3.17 0.87 2.20 2.02 -1.26 -5.04 117.35 118.69 3if2 s TYR 78 Ca -0.02 1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 58.10 3if2 s TYR 78 Cb -0.05 -3.45 0.12 0.00 -0.40 0.00 0.00 41.96 38.18 3if2 s TYR 78 CO 0.00 -1.31 1.20 -1.54 -1.57 0.00 0.00 175.55 172.34 3if2 s SER 79 N -0.90 3.90 0.62 2.29 1.04 -1.26 -5.04 113.70 114.34 3if2 s SER 79 Ca 0.52 0.69 -0.18 0.00 0.48 0.00 0.00 55.95 57.46 3if2 s SER 79 Cb -0.33 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 64.67 3if2 s SER 79 CO 0.43 -2.28 1.19 0.21 0.98 0.00 0.00 173.24 173.78 3if2 s ASN 80 N -4.53 5.07 0.53 7.02 3.84 -1.26 -4.80 114.94 120.82 3if2 s ASN 80 Ca 0.65 2.34 0.26 0.00 0.21 0.00 0.00 52.86 56.33 3if2 s ASN 80 Cb -0.10 -2.59 1.42 0.00 -0.55 0.00 0.00 41.25 39.43 3if2 s ASN 80 CO 0.51 -1.67 1.98 -0.65 -2.79 0.00 0.00 177.10 174.48 3if2 h PRO 81 N 0.66 0.00 0.00 0.43 0.11 -1.89 0.30 132.00 131.62 3if2 h PRO 81 Ca -0.50 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3if2 h PRO 81 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3if2 h PRO 81 CO 0.54 0.00 -0.35 0.37 -0.21 0.00 0.00 178.00 178.35 3if2 h GLN 82 N 0.00 0.00 0.00 1.05 4.15 -1.91 -3.39 115.11 115.01 3if2 h GLN 82 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 3if2 h GLN 82 Cb 1.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3if2 h GLN 82 CO -0.00 0.35 0.00 0.41 -1.93 0.00 0.00 178.83 177.66 3if2 n GLY 83 N -0.27 3.16 3.54 2.39 0.00 0.10 -0.89 105.19 113.22 3if2 n GLY 83 Ca -0.01 -1.90 -0.62 0.00 0.00 0.00 0.00 46.02 43.49 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 1.31 -0.03 1.61 -0.08 -1.26 -4.22 116.55 113.88 3if2 n ASP 84 Ca 0.00 0.92 -0.11 0.00 -1.51 0.00 0.00 54.79 54.10 3if2 n ASP 84 Cb 0.00 -0.96 -0.05 0.00 2.34 0.00 0.00 41.12 42.45 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 7.42 0.18 -0.70 1.67 0.02 -1.97 -1.77 113.55 118.39 3if2 h SER 85 Ca -0.31 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 3if2 h SER 85 Cb 1.38 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 3if2 h SER 85 CO 1.02 0.17 0.45 0.00 -1.14 0.00 0.00 176.83 177.33 3if2 h ALA 86 N 1.02 0.91 -0.46 3.77 0.00 -1.99 -0.02 119.26 122.48 3if2 h ALA 86 Ca 0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3if2 h ALA 86 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3if2 h ALA 86 CO -0.01 0.25 0.03 0.35 0.00 0.00 0.00 179.25 179.88 3if2 h PHE 87 N 0.89 0.84 -0.23 0.00 3.57 -1.84 0.14 116.94 120.30 3if2 h PHE 87 Ca 0.27 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3if2 h PHE 87 Cb -0.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3if2 h PHE 87 CO -0.04 0.81 0.13 0.82 -2.23 0.00 0.00 178.31 177.80 3if2 h ILE 88 N 0.64 1.02 -0.74 1.41 2.04 -0.98 0.52 117.51 121.42 3if2 h ILE 88 Ca 0.13 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3if2 h ILE 88 Cb 0.45 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3if2 h ILE 88 CO 0.02 0.05 0.38 0.44 0.00 0.00 0.00 178.15 179.04 3if2 h ASP 89 N 0.27 0.94 -0.53 1.72 3.32 -0.84 -0.34 116.42 120.97 3if2 h ASP 89 Ca 0.09 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3if2 h ASP 89 Cb 0.00 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3if2 h ASP 89 CO -0.05 0.78 0.33 0.00 -1.72 0.00 0.00 179.24 178.59 3if2 h ALA 90 N 1.19 0.68 -0.55 3.45 0.00 -0.66 -2.27 119.26 121.11 3if2 h ALA 90 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3if2 h ALA 90 Cb 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3if2 h ALA 90 CO -0.04 0.15 0.27 -0.07 0.00 0.00 0.00 179.25 179.56 3if2 h LEU 91 N 0.71 0.71 -0.20 0.00 3.38 -0.41 -0.41 115.31 119.10 3if2 h LEU 91 Ca 0.19 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3if2 h LEU 91 Cb -0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3if2 h LEU 91 CO -0.04 0.64 -0.13 0.58 0.09 0.00 0.00 178.44 179.58 3if2 h VAL 92 N 0.73 0.62 -0.10 1.22 2.07 -0.92 0.77 116.25 120.65 3if2 h VAL 92 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 3if2 h VAL 92 Cb 0.11 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3if2 h VAL 92 CO -0.02 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.81 3if2 h GLY 93 N -0.12 0.10 0.38 2.17 0.00 -1.20 -0.68 103.07 103.72 3if2 h GLY 93 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3if2 h GLY 93 CO -0.27 0.00 -0.37 -2.75 0.00 0.00 0.00 176.54 173.15 3if2 h PHE 94 N 0.06 -1.01 -0.90 5.60 3.04 -0.82 -0.63 116.94 122.27 3if2 h PHE 94 Ca 0.04 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.09 3if2 h PHE 94 Cb 0.04 0.39 -0.07 0.00 2.56 0.00 0.00 35.95 38.87 3if2 h PHE 94 CO -0.11 -0.49 0.55 0.74 -2.02 0.00 0.00 178.31 176.98 3if2 h PHE 95 N -0.74 1.01 -0.28 0.41 0.04 -0.84 -1.63 116.94 114.92 3if2 h PHE 95 Ca -0.05 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 3if2 h PHE 95 Cb 0.64 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3if2 h PHE 95 CO -0.19 0.46 -0.25 -0.91 -0.60 0.00 0.00 178.31 176.81 3if2 h ASN 96 N 0.95 0.56 -0.18 2.17 2.35 -1.03 0.97 115.58 121.36 3if2 h ASN 96 Ca 0.42 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3if2 h ASN 96 Cb 0.31 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3if2 h ASN 96 CO -0.22 0.80 0.03 0.03 -1.65 0.00 0.00 177.43 176.42 3if2 h ARG 97 N 0.49 0.30 0.00 0.81 3.08 -0.62 -2.69 114.38 115.75 3if2 h ARG 97 Ca 0.07 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 3if2 h ARG 97 Cb 0.70 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 3if2 h ARG 97 CO 0.05 0.47 -1.05 0.45 -1.07 0.00 0.00 179.97 178.83 3if2 h HIS 98 N 0.09 0.00 0.00 3.04 3.86 -1.22 -3.42 115.15 117.50 3if2 h HIS 98 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3if2 h HIS 98 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3if2 h HIS 98 CO 0.02 0.83 -0.05 0.66 0.86 0.00 0.00 177.93 180.26 3if2 n TYR 99 N -3.22 0.00 -3.57 2.45 4.01 0.33 -5.06 117.16 112.10 3if2 n TYR 99 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 3if2 n TYR 99 Cb 0.90 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.58 -3.48 -0.03 7.72 2.03 -1.01 -4.91 116.55 116.29 3if2 n ASP 100 Ca 0.00 -0.64 0.13 0.00 0.52 0.00 0.00 54.79 54.80 3if2 n ASP 100 Cb 0.00 -4.83 0.41 0.00 -0.72 0.00 0.00 41.12 35.98 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 -4.47 0.00 -3.61 -0.67 8.01 -1.26 -4.97 117.44 110.47 3if2 n TRP 101 Ca -0.17 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.80 3if2 n TRP 101 Cb 0.63 -0.31 0.07 0.00 -2.01 0.00 0.00 31.31 29.68 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 -1.39 -3.84 -4.83 -0.99 3.02 -1.26 -4.99 115.26 100.98 3if2 n ASN 102 Ca 0.07 -0.65 -0.31 0.00 -0.03 0.00 0.00 54.58 53.66 3if2 n ASN 102 Cb 0.33 -4.73 0.03 0.00 -0.61 0.00 0.00 39.78 34.80 3if2 n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3if2 s LEU 103 N -6.89 3.27 0.39 3.41 1.43 -1.26 -5.09 118.68 113.94 3if2 s LEU 103 Ca 0.31 1.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.05 3if2 s LEU 103 Cb -0.14 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 3if2 s LEU 103 CO 0.76 -1.19 0.10 0.42 0.23 0.00 0.00 176.35 176.67 3if2 s THR 104 N -2.92 0.78 0.54 5.49 -4.23 -1.26 -4.99 115.64 109.05 3if2 s THR 104 Ca 0.59 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.44 3if2 s THR 104 Cb -0.13 -2.45 0.38 0.00 1.34 0.00 0.00 72.50 71.64 3if2 s THR 104 CO 0.49 0.00 2.24 0.77 -0.54 0.00 0.00 174.62 177.58 3if2 h SER 105 N 1.84 0.00 0.23 3.99 4.64 -1.95 -1.66 113.55 120.63 3if2 h SER 105 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3if2 h SER 105 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3if2 h SER 105 CO 0.61 0.03 0.00 -0.33 -0.87 0.00 0.00 176.83 176.27 3if2 h GLU 106 N 0.00 0.00 -0.08 4.77 5.08 -1.97 -3.05 114.58 119.33 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 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3if2 h GLU 106 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 3if2 n ASN 107 N -3.03 1.55 -3.93 1.42 4.13 -0.63 -4.29 115.26 110.48 3if2 n ASN 107 Ca -0.02 -1.59 -0.17 0.00 1.68 0.00 0.00 54.58 54.48 3if2 n ASN 107 Cb 0.12 -0.05 -0.15 0.00 -1.54 0.00 0.00 39.78 38.16 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 -1.90 0.45 0.14 2.41 1.01 -1.15 -1.08 121.20 121.08 3if2 s ILE 108 Ca 0.35 -0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3if2 s ILE 108 Cb 0.19 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3if2 s ILE 108 CO 0.30 0.15 -0.10 0.00 0.00 0.00 0.00 174.94 175.30 3if2 s ALA 109 N 0.23 1.42 0.07 9.38 0.00 -0.79 -4.93 121.76 127.14 3if2 s ALA 109 Ca -0.03 -1.49 0.08 0.00 0.00 0.00 0.00 51.96 50.52 3if2 s ALA 109 Cb -0.06 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3if2 s ALA 109 CO -0.00 -0.11 -0.18 -0.51 0.00 0.00 0.00 175.76 174.96 3if2 s LEU 110 N -3.16 2.66 0.25 0.00 1.43 -0.07 -1.05 118.68 118.74 3if2 s LEU 110 Ca 0.17 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 3if2 s LEU 110 Cb 0.03 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3if2 s LEU 110 CO 0.00 0.23 0.08 0.42 0.23 0.00 0.00 176.35 177.31 3if2 s THR 111 N -1.01 0.60 -1.49 5.49 -4.23 -0.66 -4.65 115.64 109.70 3if2 s THR 111 Ca 0.16 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 3if2 s THR 111 Cb -0.11 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3if2 s THR 111 CO 0.07 -0.08 2.39 0.59 -0.54 0.00 0.00 174.62 177.05 3if2 n ASN 112 N -0.43 4.95 0.00 3.99 3.02 -1.26 -1.45 115.26 124.08 3if2 n ASN 112 Ca -0.01 -2.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.76 3if2 n ASN 112 Cb 0.66 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 3.99 -0.69 0.28 7.41 0.00 -0.88 -4.23 105.19 111.06 3if2 n GLY 113 Ca 0.58 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.86 1.61 4.64 -1.81 -2.36 113.55 114.77 3if2 h SER 114 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3if2 h SER 114 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3if2 h SER 114 CO 0.00 0.03 0.53 -0.61 -0.87 0.00 0.00 176.83 175.91 3if2 h GLN 115 N 0.00 0.91 -0.62 4.77 5.75 -1.97 -0.13 115.11 123.82 3if2 h GLN 115 Ca -0.00 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 3if2 h GLN 115 Cb 0.07 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3if2 h GLN 115 CO 0.00 0.60 0.10 -0.97 -2.65 0.00 0.00 178.83 175.91 3if2 h ASN 116 N 0.94 0.96 -0.41 -0.69 -0.00 -1.60 -1.16 115.58 113.61 3if2 h ASN 116 Ca 0.39 -0.22 -0.03 0.00 -0.00 0.00 0.00 56.30 56.44 3if2 h ASN 116 Cb 0.24 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.28 3if2 h ASN 116 CO -0.20 0.96 0.15 0.00 -0.00 0.00 0.00 177.43 178.34 3if2 h ALA 117 N 1.15 1.38 0.06 1.57 0.00 -1.02 -1.87 119.26 120.53 3if2 h ALA 117 Ca 0.19 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 3if2 h ALA 117 Cb 0.41 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3if2 h ALA 117 CO 0.01 0.45 -1.09 0.74 0.00 0.00 0.00 179.25 179.36 3if2 h PHE 118 N 0.68 0.68 -0.66 0.00 0.04 -0.77 0.23 116.94 117.13 3if2 h PHE 118 Ca 0.16 -0.41 0.08 0.00 2.80 0.00 0.00 57.97 60.59 3if2 h PHE 118 Cb 0.20 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 3if2 h PHE 118 CO 0.01 1.26 0.33 0.35 -0.60 0.00 0.00 178.31 179.66 3if2 h PHE 119 N 0.20 0.59 0.63 -0.55 3.57 -1.06 -0.33 116.94 119.98 3if2 h PHE 119 Ca -0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 3if2 h PHE 119 Cb 1.76 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 40.34 3if2 h PHE 119 CO 0.07 0.23 -0.30 1.88 -2.23 0.00 0.00 178.31 177.96 3if2 h TYR 120 N 0.58 -0.78 -0.96 0.41 0.05 -1.30 -3.10 116.97 111.87 3if2 h TYR 120 Ca 0.31 -0.02 0.05 0.00 0.05 0.00 0.00 58.73 59.13 3if2 h TYR 120 Cb 0.30 0.26 -0.06 0.00 1.01 0.00 0.00 36.73 38.24 3if2 h TYR 120 CO -0.11 -0.47 0.62 -0.07 -1.05 0.00 0.00 178.16 177.08 3if2 h LEU 121 N -1.19 1.01 -0.42 3.88 3.38 -0.88 0.49 115.31 121.59 3if2 h LEU 121 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 3if2 h LEU 121 Cb 0.67 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3if2 h LEU 121 CO 0.14 0.67 -0.60 -0.26 0.09 0.00 0.00 178.44 178.49 3if2 h PHE 122 N 1.16 0.00 0.00 1.13 0.04 -1.19 -1.67 116.94 116.41 3if2 h PHE 122 Ca 0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 3if2 h PHE 122 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3if2 h PHE 122 CO -0.01 0.60 -0.44 -0.91 -0.60 0.00 0.00 178.31 176.95 3if2 h ASN 123 N 0.00 0.00 0.83 2.17 2.35 -1.39 -1.89 115.58 117.65 3if2 h ASN 123 Ca -0.01 -0.14 -0.23 0.00 -0.55 0.00 0.00 56.30 55.37 3if2 h ASN 123 Cb 1.27 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.61 3if2 h ASN 123 CO 0.08 0.07 -1.26 0.25 -1.65 0.00 0.00 177.43 174.92 3if2 h LEU 124 N 0.00 0.00 -1.32 1.61 5.85 -0.68 -3.39 115.31 117.39 3if2 h LEU 124 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3if2 h LEU 124 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3if2 h LEU 124 CO 0.00 0.93 0.00 0.49 -0.34 0.00 0.00 178.44 179.52 3if2 n PHE 125 N -3.19 0.01 -4.22 1.25 3.72 -0.65 -5.05 117.46 109.33 3if2 n PHE 125 Ca -0.07 -0.03 -0.13 0.00 -0.05 0.00 0.00 57.45 57.18 3if2 n PHE 125 Cb 0.96 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.40 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 -0.52 1.41 0.00 1.37 0.00 -0.71 -3.90 107.32 104.97 3if2 s GLY 126 Ca 0.07 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3if2 s GLY 126 CO 0.07 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.34 3if2 n GLY 127 N -0.28 -1.65 3.70 0.20 0.00 -0.87 -4.50 105.19 101.78 3if2 n GLY 127 Ca -0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.58 3.60 0.23 4.61 0.00 -1.26 -1.97 121.76 125.39 3if2 s ALA 128 Ca 0.00 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.10 3if2 s ALA 128 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3if2 s ALA 128 CO 0.00 -0.81 -0.07 -0.06 0.00 0.00 0.00 175.76 174.83 3if2 s PHE 129 N 1.84 2.63 0.20 0.00 0.40 0.18 -4.95 117.98 118.28 3if2 s PHE 129 Ca 0.66 -0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 56.46 3if2 s PHE 129 Cb -0.35 -1.22 -0.08 0.00 0.51 0.00 0.00 43.02 41.88 3if2 s PHE 129 CO 0.29 0.58 1.13 0.08 0.70 0.00 0.00 175.22 178.00 3if2 s VAL 130 N -2.05 3.69 -0.50 -0.44 1.01 -1.26 -0.63 120.40 120.22 3if2 s VAL 130 Ca 0.28 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.48 3if2 s VAL 130 Cb -0.07 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3if2 s VAL 130 CO 0.17 0.27 1.04 0.21 0.00 0.00 0.00 175.10 176.79 3if2 s ASN 131 N -0.18 6.50 0.00 3.32 2.47 -1.26 -4.73 114.94 121.05 3if2 s ASN 131 Ca 0.50 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.90 3if2 s ASN 131 Cb -0.31 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 36.99 3if2 s ASN 131 CO 0.37 -1.22 0.88 -0.62 -3.72 0.00 0.00 177.10 172.78 3if2 n GLU 132 N 7.66 0.69 0.00 0.43 1.02 -1.26 -4.92 120.64 124.26 3if2 n GLU 132 Ca 0.07 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 3if2 n GLU 132 Cb 0.49 -1.15 0.01 0.00 -0.02 0.00 0.00 31.44 30.76 3if2 n GLU 132 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3if2 n LYS 140 N 0.92 1.65 -5.06 3.49 4.81 -1.26 -5.25 118.16 117.46 3if2 n LYS 140 Ca 0.00 -0.87 -0.30 0.00 -0.87 0.00 0.00 58.31 56.27 3if2 n LYS 140 Cb 0.35 -1.22 -0.17 0.00 0.02 0.00 0.00 35.03 34.01 3if2 n LYS 140 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3if2 s SER 141 N -1.58 2.74 -0.11 3.14 0.15 -1.26 -4.67 113.70 112.11 3if2 s SER 141 Ca 0.13 -0.48 0.02 0.00 0.70 0.00 0.00 55.95 56.31 3if2 s SER 141 Cb 0.11 -1.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 3if2 s SER 141 CO 0.31 0.14 -0.16 0.54 1.20 0.00 0.00 173.24 175.27 3if2 s VAL 142 N 0.31 1.58 -0.03 4.45 0.11 0.20 -4.86 120.40 122.17 3if2 s VAL 142 Ca -0.15 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 3if2 s VAL 142 Cb -0.16 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 3if2 s VAL 142 CO 0.07 0.46 1.06 -1.81 -3.33 0.00 0.00 175.10 171.55 3if2 s ASP 143 N 0.93 7.23 0.18 3.54 1.01 -1.26 -0.64 116.67 127.66 3if2 s ASP 143 Ca -0.07 1.72 0.10 0.00 0.71 0.00 0.00 52.55 55.00 3if2 s ASP 143 Cb -0.15 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3if2 s ASP 143 CO -0.01 -0.40 -0.15 -0.54 0.21 0.00 0.00 175.17 174.28 3if2 s LYS 144 N 1.49 1.86 0.27 8.23 1.02 -0.83 -4.86 119.74 126.92 3if2 s LYS 144 Ca 0.53 -1.35 0.10 0.00 0.02 0.00 0.00 55.97 55.27 3if2 s LYS 144 Cb -0.22 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3if2 s LYS 144 CO 0.25 0.43 -0.01 -1.12 -0.92 0.00 0.00 175.35 173.97 3if2 s SER 145 N -2.73 4.48 -0.16 2.83 0.01 0.86 -2.06 113.70 116.93 3if2 s SER 145 Ca 0.23 -0.69 -0.20 0.00 1.31 0.00 0.00 55.95 56.61 3if2 s SER 145 Cb -0.09 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 65.31 3if2 s SER 145 CO 0.13 -0.02 0.56 -0.63 0.41 0.00 0.00 173.24 173.69 3if2 s ILE 146 N -2.35 5.10 -0.31 1.44 -1.09 -0.38 -1.43 121.20 122.18 3if2 s ILE 146 Ca 0.32 1.07 -0.18 0.00 -2.23 0.00 0.00 60.65 59.63 3if2 s ILE 146 Cb -0.06 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 3if2 s ILE 146 CO 0.20 0.21 0.53 -0.22 -1.23 0.00 0.00 174.94 174.43 3if2 s LEU 147 N 1.35 4.19 -0.51 2.97 2.96 0.67 -1.55 118.68 128.76 3if2 s LEU 147 Ca 0.27 0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 54.27 3if2 s LEU 147 Cb -0.16 -2.65 0.09 0.00 0.50 0.00 0.00 46.19 43.97 3if2 s LEU 147 CO 0.11 -0.41 0.49 -0.76 -1.32 0.00 0.00 176.35 174.46 3if2 s LEU 148 N 2.41 5.69 0.57 -0.68 1.43 0.14 -0.41 118.68 127.82 3if2 s LEU 148 Ca 0.21 -1.42 0.33 0.00 -1.03 0.00 0.00 54.13 52.21 3if2 s LEU 148 Cb -0.15 -2.24 1.69 0.00 0.03 0.00 0.00 46.19 45.52 3if2 s LEU 148 CO 0.12 -0.79 2.14 1.55 0.23 0.00 0.00 176.35 179.60 3if2 h PRO 149 N 8.87 0.00 -3.50 1.29 0.13 -1.85 -2.83 132.00 134.10 3if2 h PRO 149 Ca -0.29 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.59 3if2 h PRO 149 Cb 1.10 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.93 3if2 h PRO 149 CO 0.96 0.06 -0.67 -1.17 -0.23 0.00 0.00 178.00 176.96 3if2 s LEU 150 N -6.86 1.35 0.13 1.56 0.20 -1.26 -4.37 118.68 109.43 3if2 s LEU 150 Ca -0.03 0.13 0.09 0.00 0.69 0.00 0.00 54.13 55.02 3if2 s LEU 150 Cb 0.12 0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.99 3if2 s LEU 150 CO 0.54 -0.08 -0.23 0.42 -0.29 0.00 0.00 176.35 176.71 3if2 s THR 151 N 0.58 1.97 0.49 3.68 -4.23 -1.20 -4.47 115.64 112.45 3if2 s THR 151 Ca -0.05 -1.71 -0.23 0.00 -1.18 0.00 0.00 61.69 58.52 3if2 s THR 151 Cb -0.06 -1.79 -0.07 0.00 1.34 0.00 0.00 72.50 71.92 3if2 s THR 151 CO -0.02 -0.05 1.34 -2.84 -0.54 0.00 0.00 174.62 172.51 3if2 s PRO 152 N -2.15 3.50 0.21 3.99 0.02 -1.26 -4.00 135.00 135.32 3if2 s PRO 152 Ca 0.11 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.33 3if2 s PRO 152 Cb -0.09 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 3if2 s PRO 152 CO 0.06 -0.89 0.12 -1.21 -0.33 0.00 0.00 177.00 174.75 3if2 s GLU 153 N -2.66 1.25 -0.28 5.54 0.41 -0.56 -4.72 118.70 117.70 3if2 s GLU 153 Ca 0.65 -1.67 -0.37 0.00 -0.41 0.00 0.00 54.97 53.18 3if2 s GLU 153 Cb -0.39 0.15 -0.13 0.00 -1.78 0.00 0.00 34.13 31.98 3if2 s GLU 153 CO 0.48 -0.37 1.95 0.98 -0.49 0.00 0.00 175.26 177.81 3if2 n TYR 154 N -0.32 1.92 -0.35 1.61 9.36 0.39 -4.52 117.16 125.25 3if2 n TYR 154 Ca 0.02 0.34 0.24 0.00 3.32 0.00 0.00 57.90 61.82 3if2 n TYR 154 Cb 0.66 -2.52 0.49 0.00 -0.63 0.00 0.00 39.34 37.34 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 6.04 0.38 0.00 2.97 2.10 -1.80 -2.74 117.51 124.46 3if2 h ILE 155 Ca -0.39 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.43 3if2 h ILE 155 Cb 1.31 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3if2 h ILE 155 CO 0.99 0.07 0.00 1.23 -1.08 0.00 0.00 178.15 179.35 3if2 h GLY 156 N 0.36 0.00 1.40 8.18 0.00 -1.92 -2.71 103.07 108.38 3if2 h GLY 156 Ca 0.69 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.90 3if2 h GLY 156 CO -0.47 0.00 -0.32 -0.97 0.00 0.00 0.00 176.54 174.78 3if2 h TYR 157 N 0.00 0.78 -0.87 5.60 0.05 -1.88 -3.40 116.97 117.26 3if2 h TYR 157 Ca 0.00 -0.20 0.14 0.00 0.05 0.00 0.00 58.73 58.72 3if2 h TYR 157 Cb 0.20 -0.18 -0.14 0.00 1.01 0.00 0.00 36.73 37.62 3if2 h TYR 157 CO 0.00 0.91 -0.31 0.43 -1.05 0.00 0.00 178.16 178.13 3if2 n SER 158 N -4.07 -0.51 -0.77 3.88 7.64 -1.02 -2.91 113.62 115.85 3if2 n SER 158 Ca -0.01 1.51 0.07 0.00 1.01 0.00 0.00 58.87 61.45 3if2 n SER 158 Cb 0.48 -0.37 0.21 0.00 -1.01 0.00 0.00 64.21 63.52 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 -5.30 3.44 0.23 6.43 8.00 -1.26 -4.70 116.55 123.38 3if2 n ASP 159 Ca 0.10 -2.56 0.15 0.00 0.71 0.00 0.00 54.79 53.19 3if2 n ASP 159 Cb 0.36 -0.40 0.57 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.86 0.00 -3.88 2.53 -1.51 -1.78 -3.45 116.25 110.01 3if2 h VAL 160 Ca 0.00 -0.53 -0.52 0.00 -1.23 0.00 0.00 66.70 64.42 3if2 h VAL 160 Cb 1.12 1.48 0.06 0.00 -2.13 0.00 0.00 31.29 31.82 3if2 h VAL 160 CO 0.12 0.00 0.63 -1.00 -1.23 0.00 0.00 177.57 176.10 3if2 s HIS 161 N -3.51 3.05 0.23 5.19 3.76 -1.26 -4.86 115.29 117.88 3if2 s HIS 161 Ca 0.03 1.42 -0.04 0.00 -0.15 0.00 0.00 55.06 56.32 3if2 s HIS 161 Cb 0.09 -3.67 0.25 0.00 1.11 0.00 0.00 32.58 30.35 3if2 s HIS 161 CO 0.54 -1.84 1.72 0.28 -0.85 0.00 0.00 174.74 174.58 3if2 h VAL 162 N 3.01 1.25 -3.48 -0.90 2.07 -1.95 -3.43 116.25 112.82 3if2 h VAL 162 Ca -0.49 -1.05 -0.40 0.00 0.82 0.00 0.00 66.70 65.58 3if2 h VAL 162 Cb 1.23 0.84 -0.34 0.00 -1.52 0.00 0.00 31.29 31.50 3if2 h VAL 162 CO 0.65 0.38 -0.77 -0.70 0.02 0.00 0.00 177.57 177.15 3if2 s GLU 163 N -5.01 0.75 3.67 1.57 2.12 -1.26 -4.91 118.70 115.64 3if2 s GLU 163 Ca -0.10 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.14 3if2 s GLU 163 Cb 0.14 -0.77 0.00 0.00 0.26 0.00 0.00 34.13 33.76 3if2 s GLU 163 CO 0.83 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.88 3if2 n GLY 164 N 4.00 0.67 2.89 -1.50 0.00 -1.26 -4.81 105.19 105.18 3if2 n GLY 164 Ca -0.25 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 0.06 -0.48 1.61 0.74 -1.26 -4.70 119.66 115.63 3if2 s GLN 165 Ca 0.00 0.23 0.07 0.00 0.05 0.00 0.00 55.36 55.71 3if2 s GLN 165 Cb 0.00 -0.12 0.24 0.00 1.10 0.00 0.00 33.01 34.23 3if2 s GLN 165 CO 0.00 -0.11 0.56 0.72 -0.55 0.00 0.00 175.29 175.91 3if2 n HIS 166 N 3.78 0.83 -4.26 1.67 8.25 -1.26 -5.06 115.22 119.17 3if2 n HIS 166 Ca -0.22 -3.73 -0.18 0.00 -0.26 0.00 0.00 57.72 53.33 3if2 n HIS 166 Cb 0.54 -0.35 -0.13 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.39 1.07 -0.07 4.41 0.08 -1.26 -1.25 117.98 119.57 3if2 s PHE 167 Ca 0.35 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 57.05 3if2 s PHE 167 Cb 0.14 -0.63 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 3if2 s PHE 167 CO -0.10 0.02 -0.13 0.00 -0.10 0.00 0.00 175.22 174.91 3if2 s ALA 168 N -0.96 1.34 0.11 5.36 0.00 -0.59 -4.34 121.76 122.67 3if2 s ALA 168 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.55 3if2 s ALA 168 Cb -0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3if2 s ALA 168 CO 0.01 0.10 -0.16 0.00 0.00 0.00 0.00 175.76 175.72 3if2 s ALA 169 N 0.69 1.50 -0.10 0.00 0.00 -1.11 -0.68 121.76 122.05 3if2 s ALA 169 Ca -0.14 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.63 3if2 s ALA 169 Cb -0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 3if2 s ALA 169 CO 0.03 0.18 -0.17 0.08 0.00 0.00 0.00 175.76 175.88 3if2 s VAL 170 N -1.71 2.73 0.59 0.00 1.01 -1.07 -4.80 120.40 117.15 3if2 s VAL 170 Ca 0.06 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3if2 s VAL 170 Cb -0.07 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3if2 s VAL 170 CO 0.03 0.55 1.09 -0.76 0.00 0.00 0.00 175.10 176.01 3if2 s LEU 171 N 0.11 3.56 0.35 3.92 1.43 -1.26 -3.24 118.68 123.55 3if2 s LEU 171 Ca -0.08 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3if2 s LEU 171 Cb -0.15 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 3if2 s LEU 171 CO 0.05 -1.31 0.60 -2.16 0.23 0.00 0.00 176.35 173.77 3if2 s PRO 172 N -3.79 3.57 0.14 1.29 0.04 -1.26 -4.48 135.00 130.51 3if2 s PRO 172 Ca 0.68 -0.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.41 3if2 s PRO 172 Cb -0.20 -2.59 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 3if2 s PRO 172 CO 0.34 0.11 0.78 -1.58 0.04 0.00 0.00 177.00 176.69 3if2 s HIS 173 N -2.29 3.87 -0.16 0.56 2.46 -0.51 -4.91 115.29 114.31 3if2 s HIS 173 Ca 0.43 1.60 -0.02 0.00 0.47 0.00 0.00 55.06 57.55 3if2 s HIS 173 Cb -0.10 -2.78 -0.02 0.00 -0.13 0.00 0.00 32.58 29.55 3if2 s HIS 173 CO 0.35 0.46 -0.08 0.42 -2.47 0.00 0.00 174.74 173.42 3if2 s ILE 174 N -0.90 3.35 -0.10 0.89 1.01 -1.26 -0.76 121.20 123.43 3if2 s ILE 174 Ca 0.36 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3if2 s ILE 174 Cb -0.23 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3if2 s ILE 174 CO 0.26 0.49 -0.21 -1.81 0.00 0.00 0.00 174.94 173.66 3if2 s ASP 175 N 0.68 2.86 -0.09 3.58 1.01 -0.80 -5.00 116.67 118.91 3if2 s ASP 175 Ca -0.04 -0.52 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 3if2 s ASP 175 Cb -0.15 -1.31 -0.02 0.00 1.01 0.00 0.00 42.92 42.45 3if2 s ASP 175 CO 0.02 0.12 1.11 -1.61 0.21 0.00 0.00 175.17 175.02 3if2 s GLU 176 N 0.52 4.37 0.38 8.23 2.02 -1.26 -1.32 118.70 131.64 3if2 s GLU 176 Ca -0.15 1.53 0.02 0.00 0.02 0.00 0.00 54.97 56.39 3if2 s GLU 176 Cb -0.17 -3.56 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 3if2 s GLU 176 CO 0.06 -0.41 0.08 1.33 0.02 0.00 0.00 175.26 176.33 3if2 n VAL 177 N 4.66 0.00 -4.30 2.63 0.24 -0.31 -4.94 118.33 116.32 3if2 n VAL 177 Ca 0.10 -2.06 -0.26 0.00 -2.04 0.00 0.00 64.34 60.08 3if2 n VAL 177 Cb 0.47 0.62 -0.09 0.00 -1.47 0.00 0.00 33.84 33.37 3if2 n VAL 177 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3if2 s THR 178 N -2.77 3.18 -0.13 3.34 -1.32 -1.26 -3.63 115.64 113.06 3if2 s THR 178 Ca 0.12 -1.70 -0.05 0.00 -1.21 0.00 0.00 61.69 58.85 3if2 s THR 178 Cb 0.01 -2.59 0.06 0.00 -1.51 0.00 0.00 72.50 68.47 3if2 s THR 178 CO 0.08 -0.14 0.26 -2.28 -2.21 0.00 0.00 174.62 170.34 3if2 s HIS 179 N -1.77 -0.42 -1.43 9.09 5.04 -0.82 -4.93 115.29 120.05 3if2 s HIS 179 Ca 0.25 0.96 -0.05 0.00 -1.54 0.00 0.00 55.06 54.68 3if2 s HIS 179 Cb -0.08 -0.02 0.04 0.00 0.04 0.00 0.00 32.58 32.55 3if2 s HIS 179 CO 0.15 -0.34 0.67 -0.25 -2.34 0.00 0.00 174.74 172.64 3if2 n ASP 180 N 5.18 -1.87 0.00 9.88 8.00 -1.26 -2.24 116.55 134.24 3if2 n ASP 180 Ca -0.09 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3if2 n ASP 180 Cb 0.50 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 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 -1.72 0.42 3.42 0.44 0.00 -1.26 -5.02 105.19 101.46 3if2 n GLY 181 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.62 1.49 0.71 1.61 2.02 -0.95 -5.16 118.70 117.81 3if2 s GLU 182 Ca 0.00 -1.51 -0.02 0.00 0.02 0.00 0.00 54.97 53.46 3if2 s GLU 182 Cb 0.00 -1.81 0.11 0.00 0.10 0.00 0.00 34.13 32.53 3if2 s GLU 182 CO 0.00 0.39 0.99 -1.21 0.02 0.00 0.00 175.26 175.45 3if2 s GLU 183 N -2.64 1.80 0.00 1.61 0.41 -1.26 -1.95 118.70 116.67 3if2 s GLU 183 Ca 0.20 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 53.87 3if2 s GLU 183 Cb -0.08 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3if2 s GLU 183 CO 0.09 -1.38 0.00 0.41 -0.49 0.00 0.00 175.26 173.90 3if2 n GLY 184 N -2.84 1.24 3.26 -1.39 0.00 -1.26 -4.92 105.19 99.28 3if2 n GLY 184 Ca 0.13 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.14 1.30 0.12 1.61 0.40 -1.24 -1.70 117.98 116.33 3if2 s PHE 185 Ca 0.00 -0.78 -0.17 0.00 -0.60 0.00 0.00 56.93 55.38 3if2 s PHE 185 Cb 0.00 -0.67 0.04 0.00 0.51 0.00 0.00 43.02 42.90 3if2 s PHE 185 CO 0.00 0.07 0.42 -0.59 0.70 0.00 0.00 175.22 175.81 3if2 s PHE 186 N -3.34 -0.24 -0.02 0.36 -0.71 -1.04 -1.16 117.98 111.83 3if2 s PHE 186 Ca 0.18 -0.05 0.02 0.00 -1.04 0.00 0.00 56.93 56.05 3if2 s PHE 186 Cb 0.03 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 3if2 s PHE 186 CO 0.01 -0.70 -0.09 0.21 -1.34 0.00 0.00 175.22 173.31 3if2 s LYS 187 N -3.69 0.89 0.11 1.99 2.20 -0.43 -0.80 119.74 120.00 3if2 s LYS 187 Ca 0.02 -0.30 -0.22 0.00 -0.36 0.00 0.00 55.97 55.11 3if2 s LYS 187 Cb 0.01 -0.84 -0.07 0.00 -1.51 0.00 0.00 37.83 35.43 3if2 s LYS 187 CO -0.11 0.13 0.65 0.71 -0.36 0.00 0.00 175.35 176.37 3if2 s TYR 188 N 0.10 3.84 0.03 4.03 2.02 -1.26 -1.89 117.35 124.22 3if2 s TYR 188 Ca -0.01 1.41 0.04 0.00 -0.37 0.00 0.00 57.07 58.14 3if2 s TYR 188 Cb -0.07 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 3if2 s TYR 188 CO 0.00 0.55 -0.13 1.03 -1.57 0.00 0.00 175.55 175.43 3if2 s ARG 189 N -1.08 0.86 0.21 -0.62 0.52 0.06 -4.99 118.95 113.91 3if2 s ARG 189 Ca 0.32 -0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 3if2 s ARG 189 Cb -0.21 -0.84 -0.10 0.00 0.52 0.00 0.00 34.95 34.32 3if2 s ARG 189 CO 0.22 0.21 1.48 0.08 0.02 0.00 0.00 175.30 177.30 3if2 s VAL 190 N -0.83 2.69 -0.86 3.52 1.01 -1.26 -1.43 120.40 123.25 3if2 s VAL 190 Ca 0.01 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 3if2 s VAL 190 Cb -0.08 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 33.10 3if2 s VAL 190 CO 0.01 0.07 1.00 -0.62 0.00 0.00 0.00 175.10 175.56 3if2 s ASP 191 N 0.67 6.58 0.47 3.32 2.15 -1.26 -4.80 116.67 123.81 3if2 s ASP 191 Ca 0.63 -2.05 0.24 0.00 0.43 0.00 0.00 52.55 51.79 3if2 s ASP 191 Cb -0.42 -2.35 1.16 0.00 -0.30 0.00 0.00 42.92 41.01 3if2 s ASP 191 CO 0.38 -0.99 1.96 -0.26 -0.17 0.00 0.00 175.17 176.09 3if2 h PHE 192 N 8.69 0.00 0.54 -5.34 0.04 -1.95 -1.37 116.94 117.54 3if2 h PHE 192 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3if2 h PHE 192 Cb 1.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 3if2 h PHE 192 CO 1.09 0.20 -0.36 0.93 -0.60 0.00 0.00 178.31 179.57 3if2 h GLU 193 N 0.00 -0.84 -0.67 1.51 4.39 -2.00 -0.47 114.58 116.51 3if2 h GLU 193 Ca -0.00 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3if2 h GLU 193 Cb 0.51 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3if2 h GLU 193 CO 0.03 -0.56 0.37 0.00 -1.16 0.00 0.00 179.01 177.69 3if2 h ALA 194 N -0.51 0.86 -0.03 3.43 0.00 -1.93 -3.13 119.26 117.95 3if2 h ALA 194 Ca -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3if2 h ALA 194 Cb 0.72 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3if2 h ALA 194 CO 0.04 0.37 -0.12 1.25 0.00 0.00 0.00 179.25 180.80 3if2 h LEU 195 N 0.92 0.16 -1.55 0.00 6.46 -1.17 -2.82 115.31 117.31 3if2 h LEU 195 Ca 0.24 -0.63 -0.05 0.00 -0.12 0.00 0.00 57.88 57.31 3if2 h LEU 195 Cb 0.03 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 3if2 h LEU 195 CO -0.04 0.77 -0.24 -0.08 -0.62 0.00 0.00 178.44 178.23 3if2 h GLU 196 N -0.44 0.00 -0.56 1.25 4.81 -1.16 -1.44 114.58 117.04 3if2 h GLU 196 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3if2 h GLU 196 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3if2 h GLU 196 CO 0.02 0.24 0.00 0.09 -0.73 0.00 0.00 179.01 178.63 3if2 n ASN 197 N -4.07 3.08 -4.66 1.04 3.02 -1.18 -4.98 115.26 107.51 3if2 n ASN 197 Ca -0.02 -2.13 -0.42 0.00 -0.03 0.00 0.00 54.58 51.97 3if2 n ASN 197 Cb 0.31 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3if2 n ASN 197 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3if2 s LEU 198 N -1.19 4.29 0.23 3.41 2.96 -0.55 -4.91 118.68 122.92 3if2 s LEU 198 Ca 0.35 2.24 -0.07 0.00 -0.22 0.00 0.00 54.13 56.44 3if2 s LEU 198 Cb 0.20 -3.53 0.31 0.00 0.50 0.00 0.00 46.19 43.67 3if2 s LEU 198 CO 0.21 -0.98 1.83 -0.65 -1.32 0.00 0.00 176.35 175.44 3if2 h PRO 199 N 9.85 0.83 -0.99 0.98 0.11 -1.90 -2.71 132.00 138.16 3if2 h PRO 199 Ca -0.40 -0.05 0.23 0.00 0.11 0.00 0.00 66.00 65.89 3if2 h PRO 199 Cb 1.18 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 3if2 h PRO 199 CO 0.96 0.55 0.63 0.00 -0.21 0.00 0.00 178.00 179.93 3if2 h ALA 200 N 1.39 2.03 -0.35 -0.75 0.00 -1.96 0.13 119.26 119.75 3if2 h ALA 200 Ca 0.35 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3if2 h ALA 200 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3if2 h ALA 200 CO -0.18 -0.41 0.02 1.25 0.00 0.00 0.00 179.25 179.93 3if2 h LEU 201 N 0.52 0.59 -0.34 0.00 5.85 -1.83 0.21 115.31 120.31 3if2 h LEU 201 Ca 0.56 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 3if2 h LEU 201 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3if2 h LEU 201 CO -0.30 0.74 -0.64 0.11 -0.34 0.00 0.00 178.44 178.00 3if2 h LYS 202 N 0.43 0.00 0.00 1.25 1.57 -1.22 -2.95 116.57 115.65 3if2 h LYS 202 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3if2 h LYS 202 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3if2 h LYS 202 CO 0.01 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 179.92 3if2 n GLU 203 N -3.42 0.04 -2.26 3.15 1.02 0.32 -4.91 120.64 114.59 3if2 n GLU 203 Ca 0.00 0.19 -0.06 0.00 -0.02 0.00 0.00 57.16 57.27 3if2 n GLU 203 Cb 0.72 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.60 0.23 1.57 0.62 0.00 -0.83 -4.96 105.19 102.43 3if2 n GLY 204 Ca 0.05 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.57 4.22 -4.03 1.61 1.74 0.69 -4.87 116.66 114.46 3if2 n ARG 205 Ca -0.05 -3.07 -0.31 0.00 -0.77 0.00 0.00 57.85 53.65 3if2 n ARG 205 Cb 0.54 -2.13 -0.16 0.00 -1.02 0.00 0.00 32.46 29.69 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 -2.81 1.80 -0.88 0.55 -1.09 -1.25 -0.10 121.20 117.43 3if2 s ILE 206 Ca 0.51 -1.08 0.24 0.00 -2.23 0.00 0.00 60.65 58.09 3if2 s ILE 206 Cb 0.40 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 39.44 3if2 s ILE 206 CO 0.13 0.22 1.32 0.61 -1.23 0.00 0.00 174.94 175.99 3if2 n GLY 207 N 4.63 -1.26 3.57 6.18 0.00 -0.52 -4.86 105.19 112.94 3if2 n GLY 207 Ca -0.16 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 3if2 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if2 s ALA 208 N -3.06 -1.97 -0.04 4.61 0.00 -1.24 -4.42 121.76 115.64 3if2 s ALA 208 Ca 0.09 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.55 3if2 s ALA 208 Cb 0.16 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3if2 s ALA 208 CO 0.73 -0.47 -0.04 0.42 0.00 0.00 0.00 175.76 176.40 3if2 s ILE 209 N -1.93 3.93 -0.05 0.00 1.01 -0.73 -0.24 121.20 123.19 3if2 s ILE 209 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 3if2 s ILE 209 Cb -0.01 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.81 3if2 s ILE 209 CO -0.04 0.51 0.20 0.00 0.00 0.00 0.00 174.94 175.62 3if2 s SER 212 N -2.57 5.58 -0.27 0.00 1.04 -1.26 -0.71 113.70 115.51 3if2 s SER 212 Ca 0.00 0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.63 3if2 s SER 212 Cb 0.00 -1.68 0.11 0.00 0.10 0.00 0.00 66.02 64.56 3if2 s SER 212 CO -0.10 0.37 0.21 -0.60 0.98 0.00 0.00 173.24 174.10 3if2 s ARG 213 N -0.83 0.23 0.77 4.02 3.52 -0.51 -3.25 118.95 122.92 3if2 s ARG 213 Ca 0.13 -0.24 -0.11 0.00 -0.13 0.00 0.00 55.73 55.38 3if2 s ARG 213 Cb -0.12 -1.01 0.06 0.00 -1.56 0.00 0.00 34.95 32.32 3if2 s ARG 213 CO 0.03 -0.95 1.09 -1.25 -0.81 0.00 0.00 175.30 173.41 3if2 s PRO 214 N 2.24 2.25 0.10 5.12 0.04 -1.26 -4.07 135.00 139.41 3if2 s PRO 214 Ca 0.08 1.08 -0.22 0.00 0.04 0.00 0.00 61.00 61.99 3if2 s PRO 214 Cb -0.15 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 3if2 s PRO 214 CO -0.30 -1.63 0.65 0.99 0.04 0.00 0.00 177.00 176.75 3if2 s THR 215 N -2.94 4.62 -0.25 1.26 2.01 -0.26 -4.71 115.64 115.38 3if2 s THR 215 Ca 0.61 1.40 -0.11 0.00 0.31 0.00 0.00 61.69 63.90 3if2 s THR 215 Cb -0.17 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 3if2 s THR 215 CO 0.56 0.53 0.17 0.21 -0.69 0.00 0.00 174.62 175.40 3if2 s ASN 216 N -1.04 6.07 0.00 3.53 3.84 -1.26 -0.86 114.94 125.23 3if2 s ASN 216 Ca 0.32 0.07 0.24 0.00 0.21 0.00 0.00 52.86 53.69 3if2 s ASN 216 Cb -0.21 -2.11 0.14 0.00 -0.55 0.00 0.00 41.25 38.53 3if2 s ASN 216 CO 0.22 0.03 1.21 -0.81 -2.79 0.00 0.00 177.10 174.95 3if2 n PRO 217 N 4.52 1.80 0.04 0.43 -0.04 -1.26 -0.46 135.00 140.02 3if2 n PRO 217 Ca -0.15 -1.48 -0.07 0.00 -0.04 0.00 0.00 63.50 61.77 3if2 n PRO 217 Cb 0.52 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 3.60 1.38 -0.17 0.52 1.35 -1.85 -3.39 112.91 114.35 3if2 h THR 218 Ca 0.00 -3.10 -0.07 0.00 -0.55 0.00 0.00 66.41 62.69 3if2 h THR 218 Cb 0.87 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.94 3if2 h THR 218 CO 0.00 0.79 -0.06 0.61 -0.25 0.00 0.00 175.52 176.60 3if2 n GLY 219 N 1.40 0.65 3.77 5.82 0.00 -0.04 -4.37 105.19 112.42 3if2 n GLY 219 Ca -0.05 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.91 7.46 -0.28 1.61 2.47 -1.26 -1.25 114.94 120.77 3if2 s ASN 220 Ca 0.00 1.74 -0.02 0.00 0.42 0.00 0.00 52.86 55.00 3if2 s ASN 220 Cb 0.00 -2.53 0.04 0.00 -1.45 0.00 0.00 41.25 37.30 3if2 s ASN 220 CO 0.00 0.18 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.86 3if2 s VAL 221 N -1.18 3.08 0.11 -5.21 1.01 -1.26 -1.10 120.40 115.85 3if2 s VAL 221 Ca 0.38 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 3if2 s VAL 221 Cb -0.24 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 3if2 s VAL 221 CO 0.28 0.02 1.60 -0.76 0.00 0.00 0.00 175.10 176.23 3if2 s LEU 222 N 1.31 4.37 0.79 3.92 1.43 -1.26 -4.97 118.68 124.27 3if2 s LEU 222 Ca -0.02 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.49 3if2 s LEU 222 Cb -0.18 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.53 3if2 s LEU 222 CO -0.02 -0.85 1.12 0.42 0.23 0.00 0.00 176.35 177.25 3if2 s THR 223 N 1.91 2.91 0.31 5.49 -4.23 -1.26 -4.93 115.64 115.85 3if2 s THR 223 Ca 0.72 0.32 0.04 0.00 -1.18 0.00 0.00 61.69 61.58 3if2 s THR 223 Cb -0.41 -2.69 0.30 0.00 1.34 0.00 0.00 72.50 71.04 3if2 s THR 223 CO 0.32 -0.36 1.86 0.44 -0.54 0.00 0.00 174.62 176.34 3if2 h ASP 224 N -1.14 0.83 -0.32 3.99 3.32 -1.93 -1.91 116.42 119.25 3if2 h ASP 224 Ca -0.44 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3if2 h ASP 224 Cb 1.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3if2 h ASP 224 CO 0.49 0.45 0.18 1.05 -1.72 0.00 0.00 179.24 179.69 3if2 h GLU 225 N 0.90 0.45 -0.53 3.56 4.11 -2.00 0.19 114.58 121.25 3if2 h GLU 225 Ca 0.46 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3if2 h GLU 225 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3if2 h GLU 225 CO -0.22 0.37 0.00 0.39 0.07 0.00 0.00 179.01 179.62 3if2 n GLU 226 N -4.80 0.17 0.00 1.06 1.02 -0.72 -1.64 120.64 115.73 3if2 n GLU 226 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3if2 n GLU 226 Cb 0.07 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.52 0.00 -0.07 0.62 0.00 0.05 -1.75 120.51 119.88 3if2 n ALA 228 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3if2 n ALA 228 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 0.29 -0.98 0.00 6.17 -1.56 -2.26 115.15 116.81 3if2 h HIS 229 Ca 0.00 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.11 3if2 h HIS 229 Cb 0.00 -0.09 -0.05 0.00 2.52 0.00 0.00 27.41 29.78 3if2 h HIS 229 CO 0.00 0.18 0.65 -0.07 0.71 0.00 0.00 177.93 179.39 3if2 h LEU 230 N 0.32 1.09 -1.04 0.26 3.38 -1.61 -1.59 115.31 116.13 3if2 h LEU 230 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3if2 h LEU 230 Cb -0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3if2 h LEU 230 CO -0.04 0.77 0.45 0.00 0.09 0.00 0.00 178.44 179.70 3if2 h ALA 231 N 1.41 1.27 -0.09 1.53 0.00 -1.73 0.71 119.26 122.35 3if2 h ALA 231 Ca 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3if2 h ALA 231 Cb -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 3if2 h ALA 231 CO -0.10 0.60 0.04 0.93 0.00 0.00 0.00 179.25 180.72 3if2 h GLU 232 N 1.13 0.14 -0.68 0.00 5.08 -0.83 -0.87 114.58 118.55 3if2 h GLU 232 Ca 0.29 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3if2 h GLU 232 Cb 0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3if2 h GLU 232 CO -0.05 0.24 0.44 0.82 -1.00 0.00 0.00 179.01 179.46 3if2 h ILE 233 N 0.01 1.13 0.03 3.13 2.04 -1.00 0.82 117.51 123.66 3if2 h ILE 233 Ca 0.03 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3if2 h ILE 233 Cb 0.15 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3if2 h ILE 233 CO -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 178.15 178.28 3if2 h ALA 234 N 1.28 -0.05 -0.34 1.87 0.00 -0.66 -2.15 119.26 119.21 3if2 h ALA 234 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3if2 h ALA 234 Cb -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3if2 h ALA 234 CO -0.08 -0.53 -0.12 -0.22 0.00 0.00 0.00 179.25 178.29 3if2 h LYS 235 N -0.06 0.59 0.00 0.00 3.11 -0.93 -1.50 116.57 117.78 3if2 h LYS 235 Ca -0.00 -0.18 -0.00 0.00 -2.81 0.00 0.00 60.65 57.66 3if2 h LYS 235 Cb 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 3if2 h LYS 235 CO 0.00 0.70 -0.00 -0.09 -2.81 0.00 0.00 179.45 177.25 3if2 h ARG 236 N 0.54 -0.00 -0.20 1.90 2.43 -0.63 -2.78 114.38 115.62 3if2 h ARG 236 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3if2 h ARG 236 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3if2 h ARG 236 CO 0.03 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 179.22 3if2 n TYR 237 N -5.06 0.27 -3.62 2.20 4.01 -0.83 -4.94 117.16 109.20 3if2 n TYR 237 Ca -0.07 -0.14 -0.21 0.00 -0.16 0.00 0.00 57.90 57.32 3if2 n TYR 237 Cb 0.06 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.15 3if2 n TYR 237 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3if2 n ASP 238 N 0.13 -2.52 -4.01 7.72 -0.08 -0.75 -5.02 116.55 112.01 3if2 n ASP 238 Ca 0.10 -0.71 -0.13 0.00 -1.51 0.00 0.00 54.79 52.53 3if2 n ASP 238 Cb 0.21 -4.54 -0.12 0.00 2.34 0.00 0.00 41.12 39.01 3if2 n ASP 238 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3if2 s ILE 239 N -3.48 0.42 0.45 5.18 -4.36 -0.64 -5.05 121.20 113.74 3if2 s ILE 239 Ca 0.15 -0.76 -0.22 0.00 -0.26 0.00 0.00 60.65 59.56 3if2 s ILE 239 Cb -0.07 -0.46 -0.08 0.00 1.25 0.00 0.00 42.46 43.10 3if2 s ILE 239 CO 0.78 -0.24 1.07 -2.16 0.24 0.00 0.00 174.94 174.63 3if2 s PRO 240 N -1.07 3.90 -0.41 0.37 0.04 -1.26 -4.24 135.00 132.32 3if2 s PRO 240 Ca -0.07 1.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 3if2 s PRO 240 Cb -0.07 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.18 3if2 s PRO 240 CO 0.00 -0.37 0.36 -1.17 0.04 0.00 0.00 177.00 175.85 3if2 s LEU 241 N -3.12 4.95 -0.09 -3.56 2.96 -0.86 -1.78 118.68 117.19 3if2 s LEU 241 Ca 0.64 -0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 53.59 3if2 s LEU 241 Cb -0.21 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3if2 s LEU 241 CO 0.26 -0.49 0.58 -0.63 -1.32 0.00 0.00 176.35 174.74 3if2 s ILE 242 N 1.89 5.12 -0.16 6.68 1.01 0.83 -1.20 121.20 135.37 3if2 s ILE 242 Ca 0.08 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.91 3if2 s ILE 242 Cb -0.18 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.40 3if2 s ILE 242 CO 0.12 0.30 -0.11 -0.63 0.00 0.00 0.00 174.94 174.61 3if2 s ILE 243 N 0.67 1.44 -0.57 2.92 1.01 0.63 -2.50 121.20 124.80 3if2 s ILE 243 Ca 0.31 -0.66 -0.22 0.00 0.00 0.00 0.00 60.65 60.09 3if2 s ILE 243 Cb -0.16 -1.43 0.06 0.00 0.01 0.00 0.00 42.46 40.93 3if2 s ILE 243 CO 0.14 0.34 0.84 -0.62 0.00 0.00 0.00 174.94 175.64 3if2 s ASP 244 N 1.52 6.25 -0.33 3.58 -1.08 0.11 -1.06 116.67 125.66 3if2 s ASP 244 Ca 0.03 -0.78 0.05 0.00 -0.52 0.00 0.00 52.55 51.33 3if2 s ASP 244 Cb -0.14 -2.38 0.56 0.00 -1.46 0.00 0.00 42.92 39.50 3if2 s ASP 244 CO -0.09 -1.18 1.69 0.59 0.52 0.00 0.00 175.17 176.70 3if2 n ASN 245 N 7.06 3.82 -0.34 -0.34 4.13 0.27 -1.42 115.26 128.45 3if2 n ASN 245 Ca -0.03 -3.19 0.15 0.00 1.68 0.00 0.00 54.58 53.19 3if2 n ASN 245 Cb 0.46 -0.75 0.30 0.00 -1.54 0.00 0.00 39.78 38.25 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 1.65 1.21 -0.50 5.41 0.00 -1.85 0.21 119.26 125.39 3if2 h ALA 246 Ca 0.42 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.67 3if2 h ALA 246 Cb 2.35 0.58 0.00 0.00 0.00 0.00 0.00 17.79 20.73 3if2 h ALA 246 CO 0.80 -0.59 0.00 0.66 0.00 0.00 0.00 179.25 180.12 3if2 n TYR 247 N -5.48 0.66 0.00 0.00 4.01 -1.26 -4.42 117.16 110.67 3if2 n TYR 247 Ca 0.24 -0.43 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3if2 n TYR 247 Cb 0.78 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.80 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 1.16 0.12 0.20 2.72 0.00 0.74 -1.15 105.19 108.99 3if2 n GLY 248 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.20 1.61 0.13 -2.01 -0.54 132.00 128.00 3if2 h PRO 250 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3if2 h PRO 250 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 3if2 h PRO 250 CO 0.00 0.00 -0.43 -0.59 -0.23 0.00 0.00 178.00 176.75 3if2 s PHE 251 N -3.55 -0.22 -1.68 1.56 -0.12 -1.26 -4.21 117.98 108.51 3if2 s PHE 251 Ca -0.02 0.51 0.21 0.00 -0.05 0.00 0.00 56.93 57.58 3if2 s PHE 251 Cb 0.06 0.07 1.15 0.00 -0.63 0.00 0.00 43.02 43.67 3if2 s PHE 251 CO 0.18 -0.17 1.66 -0.35 -0.05 0.00 0.00 175.22 176.50 3if2 n PRO 252 N 2.63 0.46 -3.69 1.99 -0.04 -1.17 -4.78 135.00 130.40 3if2 n PRO 252 Ca -0.15 0.05 -0.23 0.00 -0.04 0.00 0.00 63.50 63.14 3if2 n PRO 252 Cb 0.58 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.16 -2.33 -3.75 3.54 5.15 -0.22 -4.41 115.26 112.08 3if2 n ASN 253 Ca 0.13 -0.76 -0.42 0.00 -0.60 0.00 0.00 54.58 52.92 3if2 n ASN 253 Cb 0.13 -4.25 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 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 -4.38 4.50 -4.01 -1.44 5.41 -0.30 -4.61 119.36 114.54 3if2 n ILE 254 Ca -0.21 -4.26 -0.23 0.00 1.00 0.00 0.00 62.75 59.05 3if2 n ILE 254 Cb 0.64 -2.31 -0.17 0.00 -0.71 0.00 0.00 39.64 37.09 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 0.22 0.65 -1.28 1.39 1.01 -1.26 -1.55 121.20 120.39 3if2 s ILE 255 Ca 0.44 -0.11 0.18 0.00 0.00 0.00 0.00 60.65 61.16 3if2 s ILE 255 Cb 0.12 -0.71 -0.10 0.00 0.01 0.00 0.00 42.46 41.79 3if2 s ILE 255 CO -0.02 0.28 0.85 -1.22 0.00 0.00 0.00 174.94 174.83 3if2 n TYR 256 N 4.61 0.00 -4.21 3.97 4.01 -0.09 -4.98 117.16 120.46 3if2 n TYR 256 Ca -0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 3if2 n TYR 256 Cb 0.50 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 3if2 n TYR 256 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3if2 s SER 257 N -2.39 4.73 0.18 7.72 0.01 -1.25 -5.06 113.70 117.64 3if2 s SER 257 Ca 0.11 -0.62 -0.32 0.00 1.31 0.00 0.00 55.95 56.44 3if2 s SER 257 Cb 0.14 -0.90 -0.11 0.00 0.21 0.00 0.00 66.02 65.36 3if2 s SER 257 CO 0.60 -0.09 1.71 -0.62 0.41 0.00 0.00 173.24 175.24 3if2 s ASP 258 N -3.75 6.44 -0.14 2.44 2.15 -1.26 -4.99 116.67 117.57 3if2 s ASP 258 Ca 0.33 2.78 -0.29 0.00 0.43 0.00 0.00 52.55 55.80 3if2 s ASP 258 Cb -0.06 -2.59 0.09 0.00 -0.30 0.00 0.00 42.92 40.06 3if2 s ASP 258 CO 0.21 -0.94 0.81 0.00 -0.17 0.00 0.00 175.17 175.08 3if2 s ALA 259 N 1.52 -1.84 -0.01 3.66 0.00 -1.26 -4.77 121.76 119.06 3if2 s ALA 259 Ca 0.75 1.57 0.04 0.00 0.00 0.00 0.00 51.96 54.31 3if2 s ALA 259 Cb -0.47 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3if2 s ALA 259 CO 0.33 -0.33 -0.13 -1.01 0.00 0.00 0.00 175.76 174.61 3if2 s HIS 260 N -0.76 1.19 -0.16 0.00 3.76 -1.26 -5.10 115.29 112.95 3if2 s HIS 260 Ca -0.05 -0.24 -0.20 0.00 -0.15 0.00 0.00 55.06 54.41 3if2 s HIS 260 Cb -0.01 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 3if2 s HIS 260 CO 0.05 -0.04 0.57 -1.17 -0.85 0.00 0.00 174.74 173.30 3if2 s LEU 261 N -0.22 4.20 0.18 0.89 2.96 -1.26 -4.98 118.68 120.44 3if2 s LEU 261 Ca 0.03 0.83 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 3if2 s LEU 261 Cb -0.06 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 3if2 s LEU 261 CO -0.00 -0.17 -0.13 0.20 -1.32 0.00 0.00 176.35 174.93 3if2 s ASN 262 N 1.01 2.23 -0.03 3.68 -0.87 -1.26 -5.09 114.94 114.62 3if2 s ASN 262 Ca 0.28 -1.01 -0.15 0.00 -1.57 0.00 0.00 52.86 50.40 3if2 s ASN 262 Cb -0.16 -0.08 0.03 0.00 -0.02 0.00 0.00 41.25 41.02 3if2 s ASN 262 CO 0.11 -0.24 0.33 0.86 -2.57 0.00 0.00 177.10 175.59 3if2 s TRP 263 N -3.10 -0.22 0.32 2.20 -0.00 -1.26 -5.02 118.94 111.86 3if2 s TRP 263 Ca 0.20 0.38 -0.07 0.00 -0.00 0.00 0.00 56.10 56.61 3if2 s TRP 263 Cb 0.01 0.11 0.01 0.00 -0.00 0.00 0.00 33.47 33.60 3if2 s TRP 263 CO 0.04 -0.38 0.51 0.16 -0.00 0.00 0.00 176.95 177.29 3if2 s ASP 264 N -1.16 0.51 0.40 5.86 1.47 -1.26 -5.02 116.67 117.46 3if2 s ASP 264 Ca -0.12 -1.29 0.28 0.00 1.18 0.00 0.00 52.55 52.60 3if2 s ASP 264 Cb -0.05 0.66 1.41 0.00 -0.34 0.00 0.00 42.92 44.61 3if2 s ASP 264 CO 0.04 -1.30 1.84 0.78 0.68 0.00 0.00 175.17 177.21 3if2 h ASN 265 N 2.14 0.00 0.11 2.11 4.21 -1.99 -1.19 115.58 120.98 3if2 h ASN 265 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 3if2 h ASN 265 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 3if2 h ASN 265 CO 0.38 0.00 -0.18 -3.20 -1.29 0.00 0.00 177.43 173.15 3if2 n ASN 266 N -2.48 1.43 -4.80 5.81 5.15 -1.26 -4.27 115.26 114.84 3if2 n ASN 266 Ca -0.01 -1.24 -0.36 0.00 -0.60 0.00 0.00 54.58 52.37 3if2 n ASN 266 Cb 0.10 0.12 -0.07 0.00 -0.53 0.00 0.00 39.78 39.39 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 -2.30 5.19 -0.30 -0.44 2.01 -0.45 -2.02 115.64 117.34 3if2 s THR 267 Ca 0.28 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 3if2 s THR 267 Cb 0.20 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.48 3if2 s THR 267 CO 0.45 0.58 -0.00 -0.63 -0.69 0.00 0.00 174.62 174.32 3if2 s ILE 268 N -0.68 2.98 -0.25 1.82 1.01 -0.34 -4.46 121.20 121.27 3if2 s ILE 268 Ca 0.13 -1.36 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3if2 s ILE 268 Cb -0.12 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 3if2 s ILE 268 CO 0.02 -0.09 0.15 -0.76 0.00 0.00 0.00 174.94 174.26 3if2 s LEU 269 N 1.26 3.92 -0.12 2.97 1.43 -0.22 -0.27 118.68 127.65 3if2 s LEU 269 Ca -0.05 -0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3if2 s LEU 269 Cb -0.20 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 3if2 s LEU 269 CO -0.01 0.01 0.05 0.00 0.23 0.00 0.00 176.35 176.63 3if2 s PHE 271 N -0.55 1.66 0.08 0.00 0.40 0.21 -0.56 117.98 119.22 3if2 s PHE 271 Ca 0.10 -1.10 -0.12 0.00 -0.60 0.00 0.00 56.93 55.22 3if2 s PHE 271 Cb -0.12 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.42 3if2 s PHE 271 CO 0.02 -0.22 0.27 0.45 0.70 0.00 0.00 175.22 176.45 3if2 s SER 272 N -3.36 -0.04 0.00 1.36 0.15 -1.26 -1.06 113.70 109.49 3if2 s SER 272 Ca 0.37 -0.41 0.22 0.00 0.70 0.00 0.00 55.95 56.83 3if2 s SER 272 Cb 0.08 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3if2 s SER 272 CO 0.14 -0.70 1.07 0.18 1.20 0.00 0.00 173.24 175.13 3if2 n LEU 273 N 0.18 1.26 -0.14 3.45 4.77 -0.81 -4.56 117.00 121.14 3if2 n LEU 273 Ca -0.17 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.25 3if2 n LEU 273 Cb 0.61 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3if2 n LEU 273 CO 0.21 0.27 1.03 0.28 -1.33 0.00 0.00 177.39 177.85 3if2 h SER 274 N 0.85 0.42 0.19 -1.43 0.02 -1.79 -1.60 113.55 110.21 3if2 h SER 274 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3if2 h SER 274 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3if2 h SER 274 CO 0.00 0.30 -0.09 0.29 -1.14 0.00 0.00 176.83 176.19 3if2 n LYS 275 N -4.84 1.02 0.00 3.45 4.76 -1.26 -2.09 118.16 119.19 3if2 n LYS 275 Ca 0.02 -0.44 0.14 0.00 -2.87 0.00 0.00 58.31 55.15 3if2 n LYS 275 Cb 0.07 -1.49 0.53 0.00 -1.84 0.00 0.00 35.03 32.30 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 -0.61 0.00 0.00 -0.18 -5.35 -1.18 -4.66 119.36 107.39 3if2 n ILE 276 Ca 0.17 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3if2 n ILE 276 Cb 0.29 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 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 1.39 1.60 2.22 3.28 0.00 -0.89 -5.02 105.19 107.76 3if2 n GLY 277 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 4.81 0.13 0.99 4.77 -0.61 -4.87 117.00 122.23 3if2 n LEU 278 Ca 0.00 -4.93 0.03 0.00 -0.03 0.00 0.00 56.01 51.08 3if2 n LEU 278 Cb 0.00 -0.38 0.41 0.00 -2.33 0.00 0.00 43.42 41.12 3if2 n LEU 278 CO 0.00 2.16 0.90 1.55 -1.33 0.00 0.00 177.39 180.66 3if2 h PRO 279 N 2.35 0.20 -1.97 3.23 0.13 -1.73 -3.32 132.00 130.89 3if2 h PRO 279 Ca 0.34 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 3if2 h PRO 279 Cb 1.28 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3if2 h PRO 279 CO 0.79 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 3if2 n GLY 280 N -0.91 0.80 0.00 1.56 0.00 -1.26 -4.82 105.19 100.56 3if2 n GLY 280 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.76 0.00 -3.87 1.61 5.12 -1.25 -5.09 116.66 114.94 3if2 n ARG 282 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 3if2 n ARG 282 Cb 0.09 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.23 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 1.22 0.12 0.55 2.01 -1.26 -2.07 115.64 116.21 3if2 s THR 283 Ca 0.00 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.00 3if2 s THR 283 Cb 0.00 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3if2 s THR 283 CO 0.00 -0.15 0.15 -0.83 -0.69 0.00 0.00 174.62 173.10 3if2 s GLY 284 N 1.53 1.89 -0.06 4.40 0.00 -0.53 -1.93 107.32 112.63 3if2 s GLY 284 Ca -0.04 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.65 3if2 s GLY 284 CO -0.07 -1.05 -0.12 -0.42 0.00 0.00 0.00 173.10 171.44 3if2 s ILE 285 N -1.59 1.10 -0.13 0.90 1.01 -0.23 -1.65 121.20 120.61 3if2 s ILE 285 Ca 0.32 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3if2 s ILE 285 Cb -0.11 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3if2 s ILE 285 CO 0.25 0.34 -0.21 -0.63 0.00 0.00 0.00 174.94 174.69 3if2 s ILE 286 N 0.52 2.23 -0.26 2.92 1.01 -0.22 -0.62 121.20 126.79 3if2 s ILE 286 Ca -0.11 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 3if2 s ILE 286 Cb -0.14 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.44 3if2 s ILE 286 CO 0.03 0.55 0.02 -0.69 0.00 0.00 0.00 174.94 174.84 3if2 s VAL 287 N 0.62 3.64 0.33 2.92 1.01 0.12 -1.89 120.40 127.14 3if2 s VAL 287 Ca -0.11 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 3if2 s VAL 287 Cb -0.16 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3if2 s VAL 287 CO 0.03 0.22 0.68 0.00 0.00 0.00 0.00 175.10 176.03 3if2 s ALA 288 N 1.47 -0.59 0.63 5.51 0.00 -0.24 -1.05 121.76 127.49 3if2 s ALA 288 Ca 0.03 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 3if2 s ALA 288 Cb -0.16 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 3if2 s ALA 288 CO -0.00 -0.96 1.13 -3.47 0.00 0.00 0.00 175.76 172.46 3if2 n ASP 289 N -0.99 1.41 -0.33 0.00 2.03 -1.26 -4.36 116.55 113.04 3if2 n ASP 289 Ca -0.05 0.81 0.18 0.00 0.52 0.00 0.00 54.79 56.25 3if2 n ASP 289 Cb 0.60 -1.47 0.39 0.00 -0.72 0.00 0.00 41.12 39.92 3if2 n ASP 289 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3if2 h ALA 290 N 0.46 1.75 -0.62 -1.67 0.00 -1.93 -1.07 119.26 116.18 3if2 h ALA 290 Ca -0.50 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3if2 h ALA 290 Cb 1.35 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 3if2 h ALA 290 CO 0.52 -0.37 0.37 -0.22 0.00 0.00 0.00 179.25 179.55 3if2 h LYS 291 N 0.46 0.84 -0.03 0.00 3.64 -1.89 -0.90 116.57 118.69 3if2 h LYS 291 Ca 0.65 -0.07 -0.21 0.00 -1.27 0.00 0.00 60.65 59.75 3if2 h LYS 291 Cb 1.32 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3if2 h LYS 291 CO -0.53 0.59 -0.82 0.28 -2.27 0.00 0.00 179.45 176.71 3if2 h VAL 292 N 0.86 1.33 -0.82 2.00 2.07 -1.55 -3.07 116.25 117.08 3if2 h VAL 292 Ca 0.22 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 3if2 h VAL 292 Cb -0.03 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3if2 h VAL 292 CO -0.04 0.64 0.38 0.40 0.02 0.00 0.00 177.57 178.97 3if2 h ILE 293 N 0.23 1.26 -0.52 4.57 1.08 -1.09 -1.08 117.51 121.95 3if2 h ILE 293 Ca -0.09 -0.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.66 3if2 h ILE 293 Cb 1.49 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.43 3if2 h ILE 293 CO 0.16 0.32 0.29 -0.33 -0.69 0.00 0.00 178.15 177.90 3if2 h GLU 294 N 1.17 0.56 -0.04 2.37 5.08 -1.26 0.39 114.58 122.85 3if2 h GLU 294 Ca 0.28 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3if2 h GLU 294 Cb 0.15 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3if2 h GLU 294 CO -0.03 0.37 0.02 0.00 -1.00 0.00 0.00 179.01 178.37 3if2 h ALA 295 N 1.25 0.05 -0.85 3.43 0.00 -1.32 -1.10 119.26 120.72 3if2 h ALA 295 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3if2 h ALA 295 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3if2 h ALA 295 CO -0.12 -0.41 0.56 0.28 0.00 0.00 0.00 179.25 179.56 3if2 h VAL 296 N -0.02 1.20 -0.65 0.00 2.07 -1.06 -2.76 116.25 115.03 3if2 h VAL 296 Ca 0.01 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3if2 h VAL 296 Cb 0.08 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 3if2 h VAL 296 CO -0.00 0.21 0.23 0.28 0.02 0.00 0.00 177.57 178.30 3if2 h SER 297 N 1.14 0.93 0.00 0.57 0.02 -0.75 0.15 113.55 115.61 3if2 h SER 297 Ca 0.32 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3if2 h SER 297 Cb -0.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.19 3if2 h SER 297 CO -0.08 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 176.49 3if2 n ALA 298 N -2.40 1.73 0.00 3.77 0.00 -0.43 -1.62 120.51 121.56 3if2 n ALA 298 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3if2 n ALA 298 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.61 0.00 -0.31 0.00 3.02 0.53 -2.30 115.26 116.81 3if2 n ASN 300 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 3if2 n ASN 300 Cb 0.14 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.36 0.03 5.41 0.00 -1.42 0.20 119.26 124.83 3if2 h ALA 301 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3if2 h ALA 301 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3if2 h ALA 301 CO 0.00 -0.01 -0.78 0.28 0.00 0.00 0.00 179.25 178.75 3if2 h VAL 302 N 0.73 1.32 0.13 0.00 2.07 -1.75 -3.04 116.25 115.70 3if2 h VAL 302 Ca 0.48 -2.31 -0.29 0.00 0.82 0.00 0.00 66.70 65.40 3if2 h VAL 302 Cb 0.62 2.84 0.02 0.00 -1.52 0.00 0.00 31.29 33.25 3if2 h VAL 302 CO -0.33 0.53 -1.24 0.58 0.02 0.00 0.00 177.57 177.13 3if2 h VAL 303 N -0.82 1.37 0.00 2.57 2.07 -1.84 -3.41 116.25 116.19 3if2 h VAL 303 Ca -0.19 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.64 3if2 h VAL 303 Cb 1.30 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 3if2 h VAL 303 CO -0.05 0.80 -0.22 0.59 0.02 0.00 0.00 177.57 178.71 3if2 n ASN 304 N -3.69 0.81 0.00 0.57 3.02 0.35 -5.04 115.26 111.28 3if2 n ASN 304 Ca -0.12 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 3if2 n ASN 304 Cb 1.00 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 41.18 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 -1.11 0.00 -3.86 3.41 7.94 0.41 -4.64 117.00 119.15 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 0.02 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.88 3if2 n LEU 305 CO 0.02 0.00 -0.14 0.00 -1.11 0.00 0.00 177.39 176.16 3if2 s ALA 306 N 0.00 -0.37 0.80 1.96 0.00 -1.26 -3.91 121.76 118.97 3if2 s ALA 306 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 3if2 s ALA 306 Cb 0.00 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.32 3if2 s ALA 306 CO 0.00 -0.23 1.13 -1.25 0.00 0.00 0.00 175.76 175.41 3if2 s PRO 307 N -1.55 2.07 0.58 0.00 0.04 -1.26 -5.00 135.00 129.88 3if2 s PRO 307 Ca -0.13 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.06 3if2 s PRO 307 Cb -0.06 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3if2 s PRO 307 CO 0.01 -1.56 1.22 -0.08 0.04 0.00 0.00 177.00 176.63 3if2 s THR 308 N -3.37 2.59 0.00 1.26 -1.32 -1.26 -4.68 115.64 108.86 3if2 s THR 308 Ca 0.61 0.38 0.00 0.00 -1.21 0.00 0.00 61.69 61.47 3if2 s THR 308 Cb -0.12 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.71 3if2 s THR 308 CO 0.52 -0.07 0.37 -2.11 -2.21 0.00 0.00 174.62 171.12 3if2 n ARG 309 N -1.48 -0.25 0.10 7.08 1.85 -1.26 -4.76 116.66 117.93 3if2 n ARG 309 Ca 0.13 -0.41 -0.05 0.00 -1.00 0.00 0.00 57.85 56.51 3if2 n ARG 309 Cb 0.49 -0.80 0.05 0.00 -1.05 0.00 0.00 32.46 31.15 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 0.15 -0.56 2.89 3.57 -1.94 -1.64 116.94 119.42 3if2 h PHE 310 Ca 0.00 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 3if2 h PHE 310 Cb 0.28 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 3if2 h PHE 310 CO 0.00 0.83 0.21 0.78 -2.23 0.00 0.00 178.31 177.90 3if2 h GLY 311 N 1.99 0.91 1.44 2.40 0.00 -1.94 -2.54 103.07 105.33 3if2 h GLY 311 Ca -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.82 3if2 h GLY 311 CO 0.11 0.48 0.34 0.00 0.00 0.00 0.00 176.54 177.47 3if2 h ALA 312 N 1.06 1.69 -0.13 3.60 0.00 -1.80 -1.77 119.26 121.91 3if2 h ALA 312 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3if2 h ALA 312 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3if2 h ALA 312 CO -0.01 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 3if2 h ALA 313 N 1.69 0.17 -0.48 0.00 0.00 -0.89 -1.12 119.26 118.63 3if2 h ALA 313 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3if2 h ALA 313 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3if2 h ALA 313 CO -0.05 -0.13 0.19 0.82 0.00 0.00 0.00 179.25 180.08 3if2 h ILE 314 N -0.04 1.21 -0.07 0.00 5.03 -1.38 -3.32 117.51 118.94 3if2 h ILE 314 Ca 0.04 -0.67 -0.18 0.00 -0.12 0.00 0.00 64.86 63.93 3if2 h ILE 314 Cb 0.36 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 34.90 3if2 h ILE 314 CO 0.01 0.25 -0.72 0.00 -0.68 0.00 0.00 178.15 177.01 3if2 h ALA 315 N 1.03 0.64 -0.51 1.87 0.00 -1.26 -3.38 119.26 117.66 3if2 h ALA 315 Ca 0.16 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3if2 h ALA 315 Cb 0.21 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3if2 h ALA 315 CO -0.01 0.77 -0.56 1.15 0.00 0.00 0.00 179.25 180.59 3if2 h THR 316 N 0.24 0.00 -0.15 0.00 2.02 -1.29 -0.12 112.91 113.61 3if2 h THR 316 Ca -0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 3if2 h THR 316 Cb 1.28 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3if2 h THR 316 CO 0.12 0.00 -0.10 1.55 0.37 0.00 0.00 175.52 177.46 3if2 h PRO 317 N -0.33 0.23 0.00 6.66 0.13 -1.78 -1.22 132.00 135.69 3if2 h PRO 317 Ca 0.09 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.11 3if2 h PRO 317 Cb 0.56 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3if2 h PRO 317 CO -0.65 0.35 -0.29 -0.07 -0.23 0.00 0.00 178.00 177.11 3if2 h LEU 318 N 0.23 0.00 0.13 1.56 3.38 -1.42 -2.51 115.31 116.68 3if2 h LEU 318 Ca 0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3if2 h LEU 318 Cb 0.33 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.10 3if2 h LEU 318 CO 0.02 0.29 -0.77 0.58 0.09 0.00 0.00 178.44 178.64 3if2 h VAL 319 N 0.00 1.53 -0.99 1.22 2.07 -0.56 0.33 116.25 119.85 3if2 h VAL 319 Ca -0.00 -2.53 0.18 0.00 0.82 0.00 0.00 66.70 65.17 3if2 h VAL 319 Cb 0.58 3.21 -0.11 0.00 -1.52 0.00 0.00 31.29 33.46 3if2 h VAL 319 CO 0.04 0.71 0.59 0.00 0.02 0.00 0.00 177.57 178.93 3if2 h ALA 320 N 0.08 1.62 -0.44 1.67 0.00 -1.11 -2.80 119.26 118.28 3if2 h ALA 320 Ca -0.14 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3if2 h ALA 320 Cb 1.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3if2 h ALA 320 CO 0.14 -0.05 0.00 0.27 0.00 0.00 0.00 179.25 179.62 3if2 n ASN 321 N -4.78 3.68 -0.18 0.00 0.23 -0.96 -4.99 115.26 108.27 3if2 n ASN 321 Ca 0.23 -2.33 -0.02 0.00 -0.53 0.00 0.00 54.58 51.92 3if2 n ASN 321 Cb 0.55 -0.41 -0.01 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 0.55 -5.61 0.24 0.53 8.00 -1.06 -4.87 116.55 114.34 3if2 n ASP 322 Ca 0.18 0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.85 3if2 n ASP 322 Cb 0.66 -3.31 0.62 0.00 -0.02 0.00 0.00 41.12 39.06 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 0.10 0.00 -0.64 -1.24 3.08 -1.38 -1.82 114.38 112.48 3if2 h ARG 323 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3if2 h ARG 323 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3if2 h ARG 323 CO 0.07 0.18 0.39 0.97 -1.07 0.00 0.00 179.97 180.51 3if2 h ILE 324 N 0.00 1.18 -0.07 2.04 2.10 -1.35 0.79 117.51 122.19 3if2 h ILE 324 Ca -0.00 -0.37 -0.12 0.00 1.08 0.00 0.00 64.86 65.44 3if2 h ILE 324 Cb 0.47 0.27 0.01 0.00 -1.09 0.00 0.00 36.82 36.48 3if2 h ILE 324 CO 0.02 0.18 -0.44 0.50 -1.08 0.00 0.00 178.15 177.34 3if2 h LYS 325 N 0.87 0.42 -0.72 2.19 3.64 -1.60 -2.59 116.57 118.78 3if2 h LYS 325 Ca 0.23 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 3if2 h LYS 325 Cb -0.05 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3if2 h LYS 325 CO -0.04 1.00 0.29 1.96 -2.27 0.00 0.00 179.45 180.38 3if2 h GLN 326 N -0.05 1.08 -0.62 1.90 4.20 -1.12 -0.71 115.11 119.79 3if2 h GLN 326 Ca -0.03 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3if2 h GLN 326 Cb 1.10 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3if2 h GLN 326 CO 0.09 0.88 0.39 1.25 -0.67 0.00 0.00 178.83 180.77 3if2 h LEU 327 N 1.03 0.73 -0.02 1.46 5.85 -0.91 0.20 115.31 123.65 3if2 h LEU 327 Ca 0.24 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3if2 h LEU 327 Cb 0.21 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3if2 h LEU 327 CO -0.02 0.55 0.00 0.28 -0.34 0.00 0.00 178.44 178.92 3if2 h SER 328 N 0.84 0.04 -0.03 1.25 0.02 -1.12 -1.73 113.55 112.82 3if2 h SER 328 Ca 0.22 -0.25 -0.21 0.00 -0.84 0.00 0.00 61.79 60.71 3if2 h SER 328 Cb -0.06 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.49 3if2 h SER 328 CO -0.04 0.28 -0.79 0.44 -1.14 0.00 0.00 176.83 175.57 3if2 h ASP 329 N -0.21 0.74 0.65 3.07 3.32 -1.10 0.08 116.42 122.97 3if2 h ASP 329 Ca 0.01 -0.73 -0.27 0.00 0.02 0.00 0.00 57.03 56.06 3if2 h ASP 329 Cb 0.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3if2 h ASP 329 CO 0.00 1.37 -1.41 0.78 -1.72 0.00 0.00 179.24 178.25 3if2 h ASN 330 N 0.19 0.13 0.00 6.45 2.35 -1.08 -3.40 115.58 120.22 3if2 h ASN 330 Ca -0.09 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.33 3if2 h ASN 330 Cb 1.46 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.77 3if2 h ASN 330 CO 0.16 1.16 -1.46 -0.62 -1.65 0.00 0.00 177.43 175.01 3if2 n GLU 331 N -3.29 0.18 0.15 0.81 -0.58 -0.71 -4.70 120.64 112.49 3if2 n GLU 331 Ca -0.11 0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.60 3if2 n GLU 331 Cb 1.01 -0.83 -0.06 0.00 -0.57 0.00 0.00 31.44 30.99 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 -0.27 0.39 -0.29 -3.67 2.04 -1.29 -2.78 117.51 111.64 3if2 h ILE 332 Ca -0.21 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 64.96 3if2 h ILE 332 Cb 1.19 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3if2 h ILE 332 CO -0.12 0.09 -0.10 0.50 0.00 0.00 0.00 178.15 178.52 3if2 h LYS 333 N -1.00 -0.04 -0.66 2.37 3.64 -1.18 -2.48 116.57 117.22 3if2 h LYS 333 Ca -0.05 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3if2 h LYS 333 Cb 0.49 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3if2 h LYS 333 CO 0.08 -0.03 0.19 -1.35 -2.27 0.00 0.00 179.45 176.07 3if2 h PRO 334 N -0.04 1.01 0.02 1.90 0.11 -1.77 -2.13 132.00 131.10 3if2 h PRO 334 Ca 0.14 -0.21 0.03 0.00 0.11 0.00 0.00 66.00 66.08 3if2 h PRO 334 Cb 0.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 3if2 h PRO 334 CO -0.32 0.87 -0.25 0.35 -0.21 0.00 0.00 178.00 178.44 3if2 h PHE 335 N 0.97 -0.67 -0.28 0.65 3.57 -1.16 -1.68 116.94 118.35 3if2 h PHE 335 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3if2 h PHE 335 Cb 0.29 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3if2 h PHE 335 CO 0.02 -0.34 -0.18 1.88 -2.23 0.00 0.00 178.31 177.46 3if2 h TYR 336 N -0.40 0.54 -0.44 0.41 0.05 -1.33 -1.87 116.97 113.93 3if2 h TYR 336 Ca 0.06 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 3if2 h TYR 336 Cb 0.47 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3if2 h TYR 336 CO -0.28 0.65 0.09 0.37 -1.05 0.00 0.00 178.16 177.94 3if2 h GLN 337 N 0.45 0.71 -0.76 4.88 4.15 -1.14 0.21 115.11 123.61 3if2 h GLN 337 Ca 0.08 -0.18 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 3if2 h GLN 337 Cb 0.57 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 3if2 h GLN 337 CO 0.04 0.73 0.28 0.87 -1.93 0.00 0.00 178.83 178.82 3if2 h LYS 338 N 0.58 1.16 -0.40 1.69 1.57 -1.15 -0.74 116.57 119.28 3if2 h LYS 338 Ca 0.14 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3if2 h LYS 338 Cb 0.34 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3if2 h LYS 338 CO 0.00 0.95 0.23 1.96 -0.57 0.00 0.00 179.45 182.03 3if2 h GLN 339 N 1.12 0.54 -0.54 3.15 1.08 -1.16 -0.97 115.11 118.34 3if2 h GLN 339 Ca 0.25 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 3if2 h GLN 339 Cb 0.25 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3if2 h GLN 339 CO -0.02 0.43 0.03 0.00 -0.95 0.00 0.00 178.83 178.32 3if2 h ALA 340 N 1.09 0.72 -0.56 3.87 0.00 -0.78 -1.02 119.26 122.58 3if2 h ALA 340 Ca 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3if2 h ALA 340 Cb 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3if2 h ALA 340 CO -0.02 0.51 0.33 1.15 0.00 0.00 0.00 179.25 181.22 3if2 h THR 341 N 0.81 1.17 -0.48 0.00 2.02 -1.01 0.09 112.91 115.51 3if2 h THR 341 Ca 0.16 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3if2 h THR 341 Cb 0.49 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3if2 h THR 341 CO 0.02 0.18 0.19 0.25 0.37 0.00 0.00 175.52 176.53 3if2 h LEU 342 N 0.75 0.67 -0.21 2.58 5.85 -1.02 -1.79 115.31 122.14 3if2 h LEU 342 Ca 0.20 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3if2 h LEU 342 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3if2 h LEU 342 CO -0.04 0.66 0.12 0.00 -0.34 0.00 0.00 178.44 178.85 3if2 h ALA 343 N 1.03 0.27 -0.42 1.25 0.00 -0.87 -1.53 119.26 118.98 3if2 h ALA 343 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3if2 h ALA 343 Cb 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3if2 h ALA 343 CO -0.01 -0.22 0.14 0.28 0.00 0.00 0.00 179.25 179.44 3if2 h VAL 344 N 0.25 0.86 -0.05 0.00 2.07 -0.89 0.65 116.25 119.14 3if2 h VAL 344 Ca 0.08 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3if2 h VAL 344 Cb 0.03 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3if2 h VAL 344 CO -0.01 0.06 -0.21 0.50 0.02 0.00 0.00 177.57 177.92 3if2 h LYS 345 N 0.31 -0.30 -0.69 1.57 1.63 -1.19 -0.06 116.57 117.84 3if2 h LYS 345 Ca 0.20 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3if2 h LYS 345 Cb 0.19 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.86 3if2 h LYS 345 CO -0.21 -0.20 0.26 -0.07 -3.45 0.00 0.00 179.45 175.78 3if2 h LEU 346 N -0.31 0.95 -0.33 5.20 3.38 -0.94 -1.97 115.31 121.29 3if2 h LEU 346 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3if2 h LEU 346 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3if2 h LEU 346 CO -0.23 0.86 0.04 -0.07 0.09 0.00 0.00 178.44 179.13 3if2 h LEU 347 N 1.00 0.54 -1.85 1.67 3.38 -0.45 -1.90 115.31 117.70 3if2 h LEU 347 Ca 0.23 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3if2 h LEU 347 Cb 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3if2 h LEU 347 CO -0.02 0.67 -0.13 0.11 0.09 0.00 0.00 178.44 179.17 3if2 h LYS 348 N 0.38 0.00 0.00 1.13 1.57 -0.90 0.92 116.57 119.67 3if2 h LYS 348 Ca 0.10 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.73 3if2 h LYS 348 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3if2 h LYS 348 CO 0.01 0.13 -0.70 1.96 -0.57 0.00 0.00 179.45 180.28 3if2 h GLN 349 N 0.00 0.00 0.04 3.15 4.20 -1.00 -3.37 115.11 118.13 3if2 h GLN 349 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 3if2 h GLN 349 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3if2 h GLN 349 CO 0.02 0.70 -1.01 0.00 -0.67 0.00 0.00 178.83 177.87 3if2 h ALA 350 N 1.30 0.17 -3.00 3.87 0.00 -0.76 -3.48 119.26 117.35 3if2 h ALA 350 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3if2 h ALA 350 Cb 1.34 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3if2 h ALA 350 CO 0.09 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.20 3if2 n LEU 351 N -4.29 0.00 0.00 0.00 4.77 0.27 -4.90 117.00 112.84 3if2 n LEU 351 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3if2 n LEU 351 Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3if2 n LEU 351 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3if2 n GLY 352 N 5.00 3.08 0.21 -0.72 0.00 -1.26 -4.49 105.19 107.01 3if2 n GLY 352 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.30 0.00 -3.00 1.61 3.32 -1.91 -3.47 116.42 113.27 3if2 h ASP 353 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3if2 h ASP 353 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3if2 h ASP 353 CO 0.00 0.08 -0.12 -0.31 -1.72 0.00 0.00 179.24 177.17 3if2 s TYR 354 N -3.17 3.52 -1.56 4.55 1.51 -1.26 -4.99 117.35 115.94 3if2 s TYR 354 Ca 0.06 0.47 -0.10 0.00 -1.01 0.00 0.00 57.07 56.49 3if2 s TYR 354 Cb 0.05 -2.00 -0.09 0.00 -0.11 0.00 0.00 41.96 39.81 3if2 s TYR 354 CO 0.68 0.02 2.96 -0.35 -1.11 0.00 0.00 175.55 177.76 3if2 n PRO 355 N -1.90 3.61 -1.82 -1.71 -0.04 -1.26 -5.02 135.00 126.87 3if2 n PRO 355 Ca -0.03 -2.14 -0.14 0.00 -0.04 0.00 0.00 63.50 61.14 3if2 n PRO 355 Cb 0.56 -2.77 0.07 0.00 -0.04 0.00 0.00 33.50 31.33 3if2 n PRO 355 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3if2 n LEU 356 N 3.57 0.00 -3.64 1.53 7.94 -1.26 -1.97 117.00 123.16 3if2 n LEU 356 Ca 0.77 -1.30 -0.04 0.00 -1.11 0.00 0.00 56.01 54.34 3if2 n LEU 356 Cb 0.25 -0.40 -0.07 0.00 0.53 0.00 0.00 43.42 43.74 3if2 n LEU 356 CO 0.83 -0.80 0.58 -0.63 -1.11 0.00 0.00 177.39 176.27 3if2 s ILE 358 N -1.79 -0.02 0.26 1.96 1.01 -0.69 -4.86 121.20 117.06 3if2 s ILE 358 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 3if2 s ILE 358 Cb -0.02 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.35 3if2 s ILE 358 CO 0.27 0.00 1.37 -2.28 0.00 0.00 0.00 174.94 174.30 3if2 s HIS 359 N 1.46 3.10 -0.41 3.97 5.65 -0.42 -2.49 115.29 126.14 3if2 s HIS 359 Ca -0.09 1.18 -0.42 0.00 0.25 0.00 0.00 55.06 55.98 3if2 s HIS 359 Cb -0.04 -3.72 -0.17 0.00 -1.18 0.00 0.00 32.58 27.47 3if2 s HIS 359 CO -0.16 -2.23 1.96 1.17 -0.65 0.00 0.00 174.74 174.82 3if2 n LYS 360 N 2.03 0.53 -2.56 2.88 3.00 0.02 -4.72 118.16 119.33 3if2 n LYS 360 Ca 0.05 0.17 -0.41 0.00 -0.00 0.00 0.00 58.31 58.12 3if2 n LYS 360 Cb 0.41 -1.87 -0.03 0.00 0.00 0.00 0.00 35.03 33.54 3if2 n LYS 360 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3if2 s PRO 361 N 4.91 3.52 0.00 1.64 0.04 -1.26 -4.52 135.00 139.33 3if2 s PRO 361 Ca 1.10 -0.98 0.24 0.00 0.04 0.00 0.00 61.00 61.39 3if2 s PRO 361 Cb -1.25 -5.15 0.19 0.00 0.04 0.00 0.00 34.50 28.33 3if2 s PRO 361 CO 0.65 -2.19 1.22 0.39 0.04 0.00 0.00 177.00 177.11 3if2 n GLU 362 N 8.94 1.40 -3.82 4.56 1.02 -0.38 -4.86 120.64 127.50 3if2 n GLU 362 Ca 0.28 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 3if2 n GLU 362 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.38 -2.28 4.16 0.62 0.00 -0.92 -0.92 105.19 107.23 3if2 n GLY 363 Ca 0.11 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.51 -1.10 4.61 0.00 -0.59 -4.26 120.51 117.66 3if2 n ALA 364 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 3if2 n ALA 364 Cb 0.00 -0.52 0.28 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.63 2.69 -4.24 0.00 -5.35 -1.26 -4.99 119.36 103.57 3if2 n ILE 365 Ca 0.00 -1.91 -0.17 0.00 -0.27 0.00 0.00 62.75 60.40 3if2 n ILE 365 Cb 0.27 -0.32 -0.11 0.00 -1.74 0.00 0.00 39.64 37.74 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 -2.99 1.36 -0.03 4.28 0.08 -1.26 -0.77 117.98 118.65 3if2 s PHE 366 Ca 0.50 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.00 3if2 s PHE 366 Cb 0.41 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 42.12 3if2 s PHE 366 CO 0.10 0.13 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.74 3if2 s LEU 367 N -2.51 2.98 -0.29 -0.37 1.43 -1.26 -4.56 118.68 114.09 3if2 s LEU 367 Ca 0.09 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3if2 s LEU 367 Cb -0.04 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.56 3if2 s LEU 367 CO 0.03 0.32 -0.02 0.86 0.23 0.00 0.00 176.35 177.77 3if2 s TRP 368 N -0.85 3.29 -0.14 0.29 -0.11 -1.26 -4.45 118.94 115.71 3if2 s TRP 368 Ca 0.14 -2.05 -0.11 0.00 1.22 0.00 0.00 56.10 55.30 3if2 s TRP 368 Cb -0.11 -2.11 -0.05 0.00 -1.50 0.00 0.00 33.47 29.70 3if2 s TRP 368 CO 0.03 -0.83 0.23 -0.51 -4.62 0.00 0.00 176.95 171.25 3if2 s LEU 369 N 1.20 4.31 -0.21 5.86 1.02 -0.65 -1.30 118.68 128.90 3if2 s LEU 369 Ca -0.05 0.50 0.01 0.00 0.02 0.00 0.00 54.13 54.61 3if2 s LEU 369 Cb -0.20 -2.26 0.04 0.00 0.02 0.00 0.00 46.19 43.80 3if2 s LEU 369 CO -0.02 0.24 -0.11 0.86 0.02 0.00 0.00 176.35 177.33 3if2 s TRP 370 N -0.19 2.62 -0.78 0.29 -0.00 -1.26 -1.26 118.94 118.36 3if2 s TRP 370 Ca 0.15 -1.75 -0.18 0.00 -0.00 0.00 0.00 56.10 54.33 3if2 s TRP 370 Cb -0.13 -1.72 0.14 0.00 -0.00 0.00 0.00 33.47 31.76 3if2 s TRP 370 CO 0.04 -0.78 0.88 -0.06 -0.00 0.00 0.00 176.95 177.03 3if2 s PHE 371 N 1.33 3.23 0.21 5.86 0.08 -0.37 -4.34 117.98 123.98 3if2 s PHE 371 Ca -0.02 -1.37 -0.32 0.00 0.12 0.00 0.00 56.93 55.33 3if2 s PHE 371 Cb -0.17 -4.07 -0.12 0.00 -0.57 0.00 0.00 43.02 38.10 3if2 s PHE 371 CO -0.08 -1.30 1.72 1.63 -0.10 0.00 0.00 175.22 177.09 3if2 n LYS 372 N 5.83 2.78 -3.57 0.44 5.02 -0.83 -3.22 118.16 124.60 3if2 n LYS 372 Ca 0.09 1.00 -0.26 0.00 -2.02 0.00 0.00 58.31 57.12 3if2 n LYS 372 Cb 0.46 -2.85 0.04 0.00 -0.02 0.00 0.00 35.03 32.66 3if2 n LYS 372 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3if2 n ASP 373 N 3.88 -5.50 -4.73 4.39 8.00 -1.26 -4.84 116.55 116.49 3if2 n ASP 373 Ca 0.16 -0.56 -0.41 0.00 0.71 0.00 0.00 54.79 54.68 3if2 n ASP 373 Cb 0.35 -4.39 -0.03 0.00 -0.02 0.00 0.00 41.12 37.03 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 -7.10 4.42 0.23 0.64 2.96 -1.20 -4.94 118.68 113.70 3if2 s LEU 374 Ca 0.54 2.19 0.18 0.00 -0.22 0.00 0.00 54.13 56.82 3if2 s LEU 374 Cb -0.26 -3.60 0.90 0.00 0.50 0.00 0.00 46.19 43.73 3if2 s LEU 374 CO 0.67 -0.43 1.55 -2.65 -1.32 0.00 0.00 176.35 174.17 3if2 n PRO 375 N 3.00 0.12 -4.46 0.98 -0.02 -1.26 -4.72 135.00 128.65 3if2 n PRO 375 Ca 0.06 0.54 -0.22 0.00 -2.02 0.00 0.00 63.50 61.86 3if2 n PRO 375 Cb 0.45 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 3if2 n PRO 375 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3if2 s ILE 376 N -3.37 1.66 0.72 4.25 -4.36 -1.26 -5.15 121.20 113.69 3if2 s ILE 376 Ca 0.00 -2.10 -0.11 0.00 -0.26 0.00 0.00 60.65 58.18 3if2 s ILE 376 Cb 0.06 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.22 3if2 s ILE 376 CO 0.21 -0.22 1.07 -0.94 0.24 0.00 0.00 174.94 175.31 3if2 s SER 377 N -3.49 5.23 0.45 4.36 1.04 -1.26 -4.92 113.70 115.11 3if2 s SER 377 Ca 0.31 1.44 0.28 0.00 0.48 0.00 0.00 55.95 58.46 3if2 s SER 377 Cb 0.05 -2.28 0.85 0.00 0.10 0.00 0.00 66.02 64.74 3if2 s SER 377 CO 0.13 -1.52 1.78 0.71 0.98 0.00 0.00 173.24 175.33 3if2 h THR 378 N -0.77 0.00 -0.12 2.02 1.35 -0.94 -2.01 112.91 112.44 3if2 h THR 378 Ca -0.45 -0.69 -0.09 0.00 -0.55 0.00 0.00 66.41 64.63 3if2 h THR 378 Cb 1.23 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3if2 h THR 378 CO 0.59 0.00 -0.33 0.25 -0.25 0.00 0.00 175.52 175.78 3if2 h LEU 379 N 0.00 0.24 -0.06 3.87 5.85 -1.90 -0.60 115.31 122.71 3if2 h LEU 379 Ca 0.00 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 3if2 h LEU 379 Cb 0.73 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.70 3if2 h LEU 379 CO 0.00 0.57 -0.35 -0.78 -0.34 0.00 0.00 178.44 177.54 3if2 h ASP 380 N 0.21 0.41 -0.69 1.25 1.82 -1.83 -2.80 116.42 114.79 3if2 h ASP 380 Ca 0.03 -0.67 0.05 0.00 -0.39 0.00 0.00 57.03 56.05 3if2 h ASP 380 Cb 0.69 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.53 3if2 h ASP 380 CO 0.05 1.02 0.40 0.25 -1.61 0.00 0.00 179.24 179.35 3if2 h LEU 381 N -0.17 0.62 -0.64 2.28 5.85 -1.32 -1.10 115.31 120.82 3if2 h LEU 381 Ca -0.03 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.82 3if2 h LEU 381 Cb 1.02 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 3if2 h LEU 381 CO 0.07 0.41 0.23 0.22 -0.34 0.00 0.00 178.44 179.04 3if2 h TYR 382 N 0.75 0.40 -0.07 1.25 3.20 -1.11 0.32 116.97 121.70 3if2 h TYR 382 Ca 0.30 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 3if2 h TYR 382 Cb 0.14 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 3if2 h TYR 382 CO -0.06 0.08 -0.02 0.93 -1.64 0.00 0.00 178.16 177.45 3if2 h GLU 383 N 0.40 0.14 -0.92 1.82 4.39 -1.09 -1.26 114.58 118.06 3if2 h GLU 383 Ca 0.33 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.03 3if2 h GLU 383 Cb 0.45 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 3if2 h GLU 383 CO -0.34 0.47 0.59 0.00 -1.16 0.00 0.00 179.01 178.56 3if2 h ARG 384 N -0.19 1.07 -0.23 2.33 3.08 -0.96 -1.02 114.38 118.45 3if2 h ARG 384 Ca 0.02 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3if2 h ARG 384 Cb 0.41 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3if2 h ARG 384 CO 0.01 0.71 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.26 3if2 h LEU 385 N 1.11 0.65 -1.05 3.04 3.38 -0.93 -3.13 115.31 118.38 3if2 h LEU 385 Ca 0.38 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3if2 h LEU 385 Cb 0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3if2 h LEU 385 CO -0.15 1.02 0.64 0.50 0.09 0.00 0.00 178.44 180.53 3if2 h LYS 386 N 0.30 1.16 -0.06 1.13 3.64 -0.84 -1.66 116.57 120.24 3if2 h LYS 386 Ca 0.03 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3if2 h LYS 386 Cb 0.85 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3if2 h LYS 386 CO 0.07 0.77 0.05 0.00 -2.27 0.00 0.00 179.45 178.07 3if2 h ALA 387 N 1.45 1.91 -0.70 5.00 0.00 -1.16 -2.27 119.26 123.49 3if2 h ALA 387 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3if2 h ALA 387 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3if2 h ALA 387 CO -0.14 -0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.66 3if2 n LYS 388 N -4.29 3.12 -0.75 0.00 5.02 -0.69 -4.99 118.16 115.58 3if2 n LYS 388 Ca -0.01 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 3if2 n LYS 388 Cb 0.15 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 1.43 0.63 3.36 0.72 0.00 -0.85 -5.02 105.19 105.45 3if2 n GLY 389 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.05 3.26 -0.21 2.61 2.01 -0.82 -0.82 115.64 119.61 3if2 s THR 390 Ca 0.00 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.38 3if2 s THR 390 Cb 0.00 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 3if2 s THR 390 CO 0.00 0.48 0.02 -0.76 -0.69 0.00 0.00 174.62 173.67 3if2 s LEU 391 N 0.79 3.31 0.28 4.42 1.02 -0.53 -2.61 118.68 125.37 3if2 s LEU 391 Ca -0.03 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 53.94 3if2 s LEU 391 Cb -0.15 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3if2 s LEU 391 CO 0.01 0.04 0.12 0.27 0.02 0.00 0.00 176.35 176.81 3if2 s ILE 392 N 1.16 0.45 -0.15 -0.59 -5.25 -1.26 -1.17 121.20 114.39 3if2 s ILE 392 Ca 0.03 -2.00 -0.02 0.00 -0.99 0.00 0.00 60.65 57.67 3if2 s ILE 392 Cb -0.14 -2.57 -0.02 0.00 2.95 0.00 0.00 42.46 42.67 3if2 s ILE 392 CO 0.02 0.00 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.40 3if2 s VAL 393 N -3.69 3.52 0.44 8.37 1.01 -0.76 -4.80 120.40 124.49 3if2 s VAL 393 Ca 0.36 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 3if2 s VAL 393 Cb 0.06 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.82 3if2 s VAL 393 CO 0.15 0.50 0.98 -2.16 0.00 0.00 0.00 175.10 174.57 3if2 s PRO 394 N 0.44 4.11 0.52 2.72 0.04 -1.26 -0.49 135.00 141.09 3if2 s PRO 394 Ca -0.06 1.23 0.28 0.00 0.04 0.00 0.00 61.00 62.49 3if2 s PRO 394 Cb -0.15 -2.21 1.43 0.00 0.04 0.00 0.00 34.50 33.61 3if2 s PRO 394 CO 0.04 -0.14 2.05 0.66 0.04 0.00 0.00 177.00 179.65 3if2 h SER 395 N 1.91 0.00 0.27 6.66 4.64 -1.45 -3.33 113.55 122.25 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 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3if2 h SER 395 CO 0.61 0.12 0.00 -1.84 -0.87 0.00 0.00 176.83 174.85 3if2 n GLU 396 N -3.56 0.04 -0.21 4.77 0.28 -0.94 -2.06 120.64 118.97 3if2 n GLU 396 Ca -0.02 0.42 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 3if2 n GLU 396 Cb 0.25 -1.60 0.25 0.00 1.43 0.00 0.00 31.44 31.77 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 -1.69 0.54 -1.10 -1.84 4.01 -1.25 -4.32 117.16 111.51 3if2 n TYR 397 Ca 0.01 -0.27 -0.04 0.00 -0.16 0.00 0.00 57.90 57.44 3if2 n TYR 397 Cb 0.09 0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.37 2.03 -2.77 -0.72 3.72 -0.88 -4.53 117.46 115.69 3if2 n PHE 398 Ca 0.20 -1.23 -0.22 0.00 -0.05 0.00 0.00 57.45 56.15 3if2 n PHE 398 Cb 0.57 -0.61 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.40 2.62 -2.10 1.38 3.01 -1.26 -1.49 117.46 119.22 3if2 n PHE 399 Ca 0.37 -3.44 -0.38 0.00 1.01 0.00 0.00 57.45 55.02 3if2 n PHE 399 Cb 1.27 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 40.42 3if2 n PHE 399 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3if2 s PRO 400 N -3.25 3.72 0.00 -1.08 0.04 -1.26 -3.10 135.00 130.06 3if2 s PRO 400 Ca 0.43 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3if2 s PRO 400 Cb 0.37 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3if2 s PRO 400 CO -0.11 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3if2 n GLY 401 N 0.59 0.91 2.92 0.56 0.00 -1.26 -4.50 105.19 104.40 3if2 n GLY 401 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3if2 n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if2 s VAL 402 N -3.19 -0.03 -0.19 1.61 0.11 -1.18 -2.76 120.40 114.77 3if2 s VAL 402 Ca 0.00 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 58.86 3if2 s VAL 402 Cb 0.00 -0.17 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 3if2 s VAL 402 CO 0.00 0.04 1.31 -0.62 -3.33 0.00 0.00 175.10 172.50 3if2 s ASP 403 N 0.65 6.85 0.00 3.54 2.15 -1.26 -4.91 116.67 123.70 3if2 s ASP 403 Ca -0.05 1.63 0.11 0.00 0.43 0.00 0.00 52.55 54.67 3if2 s ASP 403 Cb -0.07 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.25 3if2 s ASP 403 CO -0.03 -0.85 1.13 1.33 -0.17 0.00 0.00 175.17 176.57 3if2 n VAL 404 N 5.59 0.70 0.28 1.11 0.24 -1.26 -4.55 118.33 120.44 3if2 n VAL 404 Ca 0.14 -0.85 0.14 0.00 -2.04 0.00 0.00 64.34 61.74 3if2 n VAL 404 Cb 0.45 0.72 0.86 0.00 -1.47 0.00 0.00 33.84 34.40 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 2.04 0.00 -0.37 -1.34 4.64 -1.99 -2.59 113.55 113.93 3if2 h SER 405 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3if2 h SER 405 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3if2 h SER 405 CO 0.00 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.29 3if2 n ASP 406 N -3.97 2.99 -4.05 4.97 -0.08 -1.26 -4.88 116.55 110.26 3if2 n ASP 406 Ca -0.03 -1.99 -0.33 0.00 -1.51 0.00 0.00 54.79 50.93 3if2 n ASP 406 Cb 0.10 -0.25 -0.14 0.00 2.34 0.00 0.00 41.12 43.17 3if2 n ASP 406 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3if2 s TYR 407 N -1.00 3.70 0.39 -0.67 5.04 -0.98 -5.01 117.35 118.82 3if2 s TYR 407 Ca 0.25 -2.80 0.10 0.00 -2.44 0.00 0.00 57.07 52.17 3if2 s TYR 407 Cb 0.13 -2.99 0.80 0.00 0.35 0.00 0.00 41.96 40.25 3if2 s TYR 407 CO 0.17 -0.95 1.92 1.96 -1.34 0.00 0.00 175.55 177.31 3if2 h GLN 408 N 7.75 0.22 -0.89 4.97 1.08 -1.90 -2.84 115.11 123.50 3if2 h GLN 408 Ca -0.07 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.20 3if2 h GLN 408 Cb 1.03 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.36 3if2 h GLN 408 CO 0.57 0.36 0.57 1.25 -0.95 0.00 0.00 178.83 180.64 3if2 h HIS 409 N 0.21 0.89 0.00 2.96 2.76 -1.95 -1.30 115.15 118.72 3if2 h HIS 409 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3if2 h HIS 409 Cb 0.37 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3if2 h HIS 409 CO 0.01 0.36 0.00 0.00 -1.30 0.00 0.00 177.93 177.00 3if2 h ALA 410 N 1.58 1.00 -0.31 5.26 0.00 -1.83 -2.37 119.26 122.58 3if2 h ALA 410 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3if2 h ALA 410 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3if2 h ALA 410 CO -0.19 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.78 3if2 n HIS 411 N -2.60 0.41 -0.07 0.00 -0.00 -0.50 -2.20 115.22 110.25 3if2 n HIS 411 Ca -0.01 -0.33 0.05 0.00 -0.00 0.00 0.00 57.72 57.43 3if2 n HIS 411 Cb 0.10 -0.01 0.12 0.00 -0.00 0.00 0.00 29.99 30.19 3if2 n HIS 411 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3if2 n GLU 412 N 0.84 2.52 -4.37 -0.41 1.02 -0.89 -0.27 120.64 119.07 3if2 n GLU 412 Ca 0.13 -1.86 -0.19 0.00 -0.02 0.00 0.00 57.16 55.22 3if2 n GLU 412 Cb 0.45 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 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 -3.05 0.32 0.53 0.00 -4.36 -0.39 -1.39 121.20 112.86 3if2 s ILE 414 Ca 0.26 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.23 3if2 s ILE 414 Cb 0.02 -1.07 0.04 0.00 1.25 0.00 0.00 42.46 42.69 3if2 s ILE 414 CO 0.09 -0.75 0.43 -0.60 0.24 0.00 0.00 174.94 174.34 3if2 s ARG 415 N -2.90 2.28 -0.05 0.37 3.52 0.36 -1.63 118.95 120.90 3if2 s ARG 415 Ca -0.01 -1.94 0.01 0.00 -0.13 0.00 0.00 55.73 53.67 3if2 s ARG 415 Cb 0.00 -2.17 0.02 0.00 -1.56 0.00 0.00 34.95 31.24 3if2 s ARG 415 CO -0.05 -0.59 -0.07 0.45 -0.81 0.00 0.00 175.30 174.23 3if2 s SER 417 N -4.29 1.18 0.00 -2.12 0.15 0.56 -1.84 113.70 107.35 3if2 s SER 417 Ca 0.38 -0.18 0.23 0.00 0.70 0.00 0.00 55.95 57.08 3if2 s SER 417 Cb -0.02 -0.56 0.55 0.00 -1.71 0.00 0.00 66.02 64.28 3if2 s SER 417 CO 0.23 -0.03 1.48 2.30 1.20 0.00 0.00 173.24 178.43 3if2 n ILE 418 N 3.97 0.76 0.61 6.45 -6.64 0.05 -4.13 119.36 120.44 3if2 n ILE 418 Ca -0.24 -0.87 0.13 0.00 -1.77 0.00 0.00 62.75 60.00 3if2 n ILE 418 Cb 0.51 0.69 0.41 0.00 -1.44 0.00 0.00 39.64 39.81 3if2 n ILE 418 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3if2 n ALA 419 N 1.55 2.26 -1.53 -1.28 0.00 -1.24 -4.74 120.51 115.53 3if2 n ALA 419 Ca 0.22 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 3if2 n ALA 419 Cb 0.61 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.65 3if2 n ALA 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3if2 s ALA 420 N -3.11 2.37 0.93 0.00 0.00 -1.26 -4.38 121.76 116.32 3if2 s ALA 420 Ca 0.10 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 3if2 s ALA 420 Cb 0.12 -3.41 0.15 0.00 0.00 0.00 0.00 23.12 19.98 3if2 s ALA 420 CO 0.59 -1.43 1.10 0.16 0.00 0.00 0.00 175.76 176.18 3if2 s ASP 421 N -2.08 2.97 0.18 0.00 1.47 -1.26 -4.72 116.67 113.23 3if2 s ASP 421 Ca 0.73 1.82 -0.14 0.00 1.18 0.00 0.00 52.55 56.13 3if2 s ASP 421 Cb -0.26 -2.41 0.17 0.00 -0.34 0.00 0.00 42.92 40.07 3if2 s ASP 421 CO 0.40 -3.01 1.69 -0.08 0.68 0.00 0.00 175.17 174.85 3if2 h GLU 422 N -1.80 0.10 -0.25 2.11 4.81 -1.96 -2.05 114.58 115.54 3if2 h GLU 422 Ca -0.48 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 3if2 h GLU 422 Cb 1.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3if2 h GLU 422 CO 0.48 0.07 -0.12 0.37 -0.73 0.00 0.00 179.01 179.08 3if2 h GLN 423 N 0.11 0.41 -0.32 1.92 5.75 -1.99 -0.67 115.11 120.31 3if2 h GLN 423 Ca 0.24 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 3if2 h GLN 423 Cb 0.35 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 3if2 h GLN 423 CO -0.40 0.54 0.09 1.15 -2.65 0.00 0.00 178.83 177.56 3if2 h THR 424 N 0.39 1.21 -0.79 2.39 2.02 -1.76 -1.74 112.91 114.63 3if2 h THR 424 Ca 0.07 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3if2 h THR 424 Cb 0.45 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 3if2 h THR 424 CO 0.03 0.23 0.44 -0.07 0.37 0.00 0.00 175.52 176.52 3if2 h LEU 425 N 0.36 0.98 -0.14 2.58 3.38 -0.85 -0.37 115.31 121.25 3if2 h LEU 425 Ca 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3if2 h LEU 425 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3if2 h LEU 425 CO -0.00 0.79 0.06 0.40 0.09 0.00 0.00 178.44 179.77 3if2 h ILE 426 N 1.09 1.15 -0.22 1.22 2.04 -1.06 -1.99 117.51 119.74 3if2 h ILE 426 Ca 0.28 -0.44 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 3if2 h ILE 426 Cb 0.02 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3if2 h ILE 426 CO -0.05 0.13 -0.38 0.44 0.00 0.00 0.00 178.15 178.30 3if2 h ASP 427 N 0.07 0.71 -0.07 1.72 3.32 -1.24 -2.59 116.42 118.34 3if2 h ASP 427 Ca 0.05 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 3if2 h ASP 427 Cb 0.16 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3if2 h ASP 427 CO -0.00 1.11 0.04 1.23 -1.72 0.00 0.00 179.24 179.89 3if2 h GLY 428 N 0.34 0.10 1.74 2.75 0.00 -1.10 -2.77 103.07 104.12 3if2 h GLY 428 Ca 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3if2 h GLY 428 CO 0.09 0.04 -0.14 -2.22 0.00 0.00 0.00 176.54 174.31 3if2 h ILE 429 N 0.02 1.20 -0.38 2.60 2.04 -1.42 -1.51 117.51 120.05 3if2 h ILE 429 Ca 0.02 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3if2 h ILE 429 Cb 0.08 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3if2 h ILE 429 CO -0.00 0.28 0.25 0.50 0.00 0.00 0.00 178.15 179.18 3if2 h LYS 430 N 0.30 0.50 0.02 2.37 3.64 -1.30 -1.07 116.57 121.03 3if2 h LYS 430 Ca 0.06 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3if2 h LYS 430 Cb 0.44 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3if2 h LYS 430 CO 0.03 0.33 -0.01 0.28 -2.27 0.00 0.00 179.45 177.81 3if2 h VAL 431 N 0.52 1.18 -0.72 2.00 2.07 -1.19 -1.74 116.25 118.37 3if2 h VAL 431 Ca 0.14 -0.63 0.16 0.00 0.82 0.00 0.00 66.70 67.18 3if2 h VAL 431 Cb -0.06 1.61 -0.11 0.00 -1.52 0.00 0.00 31.29 31.21 3if2 h VAL 431 CO -0.03 0.16 0.14 0.40 0.02 0.00 0.00 177.57 178.27 3if2 h ILE 432 N -0.30 0.49 -0.14 4.57 2.04 -1.21 -1.13 117.51 121.83 3if2 h ILE 432 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3if2 h ILE 432 Cb 0.29 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3if2 h ILE 432 CO 0.01 0.04 0.07 1.23 0.00 0.00 0.00 178.15 179.50 3if2 h GLY 433 N 0.24 0.21 0.98 5.37 0.00 -1.01 -1.59 103.07 107.26 3if2 h GLY 433 Ca 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3if2 h GLY 433 CO -0.53 0.09 -0.12 0.83 0.00 0.00 0.00 176.54 176.82 3if2 h GLU 434 N 0.12 -0.32 -0.05 4.80 5.08 -0.59 -0.48 114.58 123.14 3if2 h GLU 434 Ca 0.05 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3if2 h GLU 434 Cb 0.09 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3if2 h GLU 434 CO -0.01 -0.19 -0.10 0.28 -1.00 0.00 0.00 179.01 177.99 3if2 h VAL 435 N -0.36 0.74 -0.22 3.13 2.07 -1.26 -1.92 116.25 118.42 3if2 h VAL 435 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3if2 h VAL 435 Cb 0.28 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3if2 h VAL 435 CO 0.06 0.00 -0.12 0.58 0.02 0.00 0.00 177.57 178.11 3if2 h VAL 436 N -0.14 1.31 -0.26 2.57 2.07 -1.28 -2.05 116.25 118.46 3if2 h VAL 436 Ca 0.05 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3if2 h VAL 436 Cb 0.22 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3if2 h VAL 436 CO -0.13 0.37 0.12 0.03 0.02 0.00 0.00 177.57 177.98 3if2 h ARG 437 N 0.18 0.26 -0.98 1.57 3.08 -1.09 -0.70 114.38 116.69 3if2 h ARG 437 Ca 0.05 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3if2 h ARG 437 Cb 0.62 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 3if2 h ARG 437 CO 0.04 0.17 0.64 1.49 -1.07 0.00 0.00 179.97 181.23 3if2 h GLU 438 N 0.27 1.11 -0.48 0.04 4.22 -1.34 0.02 114.58 118.41 3if2 h GLU 438 Ca 0.11 -0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.40 3if2 h GLU 438 Cb 0.03 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3if2 h GLU 438 CO -0.08 0.74 -0.01 -0.07 -2.18 0.00 0.00 179.01 177.41 3if2 h LEU 439 N 1.15 0.84 -0.63 1.64 4.07 -0.85 -3.23 115.31 118.29 3if2 h LEU 439 Ca 0.42 -0.31 -0.15 0.00 0.08 0.00 0.00 57.88 57.92 3if2 h LEU 439 Cb 0.17 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3if2 h LEU 439 CO -0.16 0.95 -0.56 1.88 -1.08 0.00 0.00 178.44 179.47 3if2 h TYR 440 N 0.71 0.45 0.00 1.13 0.05 -0.65 -3.27 116.97 115.39 3if2 h TYR 440 Ca 0.13 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3if2 h TYR 440 Cb 0.53 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3if2 h TYR 440 CO 0.04 0.84 0.00 -0.44 -1.05 0.00 0.00 178.16 177.55 3if2 h ASP 441 N 0.27 0.00 -3.52 3.88 3.32 -1.03 -3.42 116.42 115.92 3if2 h ASP 441 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3if2 h ASP 441 Cb 1.07 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.27 3if2 h ASP 441 CO 0.09 0.00 -0.79 0.20 -1.72 0.00 0.00 179.24 177.02 3if2 s ASN 442 N -5.31 4.06 0.00 6.45 0.01 -1.22 -5.10 114.94 113.83 3if2 s ASN 442 Ca 0.00 -1.01 0.00 0.00 -0.71 0.00 0.00 52.86 51.14 3if2 s ASN 442 Cb 0.10 -1.58 0.00 0.00 0.41 0.00 0.00 41.25 40.18 3if2 s ASN 442 CO 0.48 -0.12 0.00 2.29 -1.51 0.00 0.00 177.10 178.24