#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i26 s PRO 17 N 0.00 4.03 0.20 1.09 0.02 -1.26 -4.81 135.00 134.27 3i26 s PRO 17 Ca 0.00 2.16 -0.00 0.00 0.02 0.00 0.00 61.00 63.18 3i26 s PRO 17 Cb 0.00 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3i26 s PRO 17 CO 0.00 -0.44 0.38 0.14 -0.33 0.00 0.00 177.00 176.75 3i26 s VAL 18 N -1.25 5.22 -0.21 3.83 -7.23 -0.12 -4.67 120.40 115.98 3i26 s VAL 18 Ca 0.56 -0.43 -0.05 0.00 -1.81 0.00 0.00 61.98 60.25 3i26 s VAL 18 Cb -0.38 -3.74 -0.02 0.00 0.56 0.00 0.00 36.38 32.79 3i26 s VAL 18 CO 0.49 -0.18 0.00 -0.89 -0.31 0.00 0.00 175.10 174.22 3i26 s THR 19 N -1.87 3.94 0.34 5.32 2.01 -1.26 -1.13 115.64 123.00 3i26 s THR 19 Ca 0.38 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 3i26 s THR 19 Cb -0.11 -2.79 -0.12 0.00 0.01 0.00 0.00 72.50 69.49 3i26 s THR 19 CO 0.29 0.42 1.42 -2.65 -0.69 0.00 0.00 174.62 173.41 3i26 n PRO 20 N 4.35 2.42 -3.06 4.92 -0.02 -1.26 -4.88 135.00 137.48 3i26 n PRO 20 Ca -0.17 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 3i26 n PRO 20 Cb 0.52 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3i26 n PRO 20 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3i26 s TYR 21 N -0.91 3.16 -0.18 6.00 6.14 0.88 -4.79 117.35 127.65 3i26 s TYR 21 Ca 0.56 0.49 -0.29 0.00 0.64 0.00 0.00 57.07 58.47 3i26 s TYR 21 Cb -0.53 -3.18 -0.03 0.00 0.42 0.00 0.00 41.96 38.64 3i26 s TYR 21 CO 0.61 -0.62 1.67 -0.47 0.64 0.00 0.00 175.55 177.38 3i26 s TYR 22 N 2.81 2.00 0.00 4.97 6.14 -1.24 -1.52 117.35 130.51 3i26 s TYR 22 Ca 0.27 0.45 0.00 0.00 0.64 0.00 0.00 57.07 58.43 3i26 s TYR 22 Cb -0.14 -3.98 0.00 0.00 0.42 0.00 0.00 41.96 38.26 3i26 s TYR 22 CO 0.14 -3.25 0.00 0.41 0.64 0.00 0.00 175.55 173.49 3i26 n GLY 23 N 4.63 2.05 3.72 8.97 0.00 -1.26 -4.26 105.19 119.04 3i26 n GLY 23 Ca 0.19 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 3i26 n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i26 s PRO 24 N -1.84 0.19 0.12 1.61 0.04 -1.26 -4.08 135.00 129.78 3i26 s PRO 24 Ca 0.00 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.06 3i26 s PRO 24 Cb 0.00 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.84 3i26 s PRO 24 CO 0.00 -2.81 0.59 0.41 0.04 0.00 0.00 177.00 175.23 3i26 n GLY 25 N -1.76 0.95 3.25 0.56 0.00 -1.26 -3.56 105.19 103.37 3i26 n GLY 25 Ca 0.09 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 3i26 n GLY 25 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3i26 s HIS 26 N -3.87 -0.18 -0.03 1.61 -3.43 -1.26 -4.95 115.29 103.18 3i26 s HIS 26 Ca 0.13 0.23 0.14 0.00 -0.80 0.00 0.00 55.06 54.76 3i26 s HIS 26 Cb -0.02 0.11 -0.22 0.00 -1.43 0.00 0.00 32.58 31.02 3i26 s HIS 26 CO 0.04 -0.42 0.28 -0.89 -2.00 0.00 0.00 174.74 171.75 3i26 n ILE 27 N 1.12 0.11 -4.39 -5.38 5.41 -1.26 -1.81 119.36 113.17 3i26 n ILE 27 Ca -0.21 -0.36 -0.21 0.00 1.00 0.00 0.00 62.75 62.97 3i26 n ILE 27 Cb 0.57 0.07 -0.09 0.00 -0.71 0.00 0.00 39.64 39.48 3i26 n ILE 27 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3i26 s THR 28 N -2.92 0.40 0.60 1.39 -4.23 -1.26 -4.69 115.64 104.93 3i26 s THR 28 Ca -0.05 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.75 3i26 s THR 28 Cb 0.09 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.82 3i26 s THR 28 CO 0.59 0.00 2.03 2.19 -0.54 0.00 0.00 174.62 178.90 3i26 h PHE 29 N 2.07 0.00 -0.86 3.99 -0.00 -2.01 -3.37 116.94 116.77 3i26 h PHE 29 Ca -0.33 0.00 -0.74 0.00 -0.00 0.00 0.00 57.97 56.90 3i26 h PHE 29 Cb 1.25 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 37.10 3i26 h PHE 29 CO 1.25 0.00 2.51 -3.47 -0.00 0.00 0.00 178.31 178.60 3i26 n ASP 30 N -3.62 5.23 -4.21 -0.68 -0.08 -1.26 -4.88 116.55 107.05 3i26 n ASP 30 Ca 0.03 -3.00 -0.13 0.00 -1.51 0.00 0.00 54.79 50.17 3i26 n ASP 30 Cb 0.41 -1.53 -0.10 0.00 2.34 0.00 0.00 41.12 42.25 3i26 n ASP 30 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 3i26 s TRP 31 N 1.18 1.13 0.16 -0.67 1.48 -1.26 -1.50 118.94 119.45 3i26 s TRP 31 Ca 0.45 -0.78 -0.10 0.00 -1.06 0.00 0.00 56.10 54.61 3i26 s TRP 31 Cb 0.12 -0.60 -0.00 0.00 -1.16 0.00 0.00 33.47 31.83 3i26 s TRP 31 CO -0.04 0.01 0.30 0.00 -4.06 0.00 0.00 176.95 173.16 3i26 s GLY 33 N -2.95 1.16 -0.08 0.00 0.00 0.07 -0.81 107.32 104.72 3i26 s GLY 33 Ca 0.15 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.67 3i26 s GLY 33 CO -0.01 -1.25 -0.15 -1.36 0.00 0.00 0.00 173.10 170.33 3i26 s PHE 34 N -1.39 1.72 0.00 1.90 0.08 -0.16 -0.36 117.98 119.78 3i26 s PHE 34 Ca 0.06 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.43 3i26 s PHE 34 Cb -0.09 -1.23 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 3i26 s PHE 34 CO 0.04 -0.33 0.00 0.41 -0.10 0.00 0.00 175.22 175.24 3i26 n GLY 35 N 3.81 3.11 0.00 4.36 0.00 -0.63 -0.60 105.19 115.23 3i26 n GLY 35 Ca -0.22 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3i26 n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i26 n ASP 36 N -0.61 0.03 -0.22 1.61 3.85 -1.24 -3.15 116.55 116.82 3i26 n ASP 36 Ca 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 54.79 54.23 3i26 n ASP 36 Cb 0.00 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.23 3i26 n ASP 36 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3i26 h SER 37 N 0.00 0.49 0.35 -1.12 4.64 -1.87 -1.98 113.55 114.05 3i26 h SER 37 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3i26 h SER 37 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3i26 h SER 37 CO 0.00 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.73 3i26 n ARG 38 N -4.52 0.23 -1.52 4.77 1.74 -1.26 -2.50 116.66 113.59 3i26 n ARG 38 Ca 0.17 0.13 0.03 0.00 -0.77 0.00 0.00 57.85 57.40 3i26 n ARG 38 Cb 0.56 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.55 3i26 n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i26 n SER 39 N -1.30 1.33 -4.08 0.55 3.41 -0.76 -0.47 113.62 112.30 3i26 n SER 39 Ca 0.08 -2.41 -0.34 0.00 -0.26 0.00 0.00 58.87 55.94 3i26 n SER 39 Cb 0.14 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 3i26 n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i26 s ASP 40 N -2.50 5.08 0.00 4.04 -1.08 -1.04 -4.73 116.67 116.44 3i26 s ASP 40 Ca 0.34 -2.11 0.17 0.00 -0.52 0.00 0.00 52.55 50.43 3i26 s ASP 40 Cb 0.38 -1.76 0.73 0.00 -1.46 0.00 0.00 42.92 40.80 3i26 s ASP 40 CO -0.13 -0.48 1.53 0.00 0.52 0.00 0.00 175.17 176.61 3i26 n THR 42 N -1.48 0.01 -2.04 0.00 -2.24 -1.26 -4.79 114.28 102.47 3i26 n THR 42 Ca 0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 3i26 n THR 42 Cb 0.19 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 3i26 n THR 42 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i26 s ASN 43 N -2.53 6.69 0.58 3.42 3.84 -0.85 -4.88 114.94 121.21 3i26 s ASN 43 Ca 0.30 2.58 0.28 0.00 0.21 0.00 0.00 52.86 56.23 3i26 s ASN 43 Cb 0.20 -2.61 1.62 0.00 -0.55 0.00 0.00 41.25 39.91 3i26 s ASN 43 CO 0.45 -0.70 2.08 -0.65 -2.79 0.00 0.00 177.10 175.50 3i26 h PRO 44 N 5.67 0.00 -0.11 0.43 0.11 -1.90 -1.27 132.00 134.93 3i26 h PRO 44 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i26 h PRO 44 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i26 h PRO 44 CO 0.82 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.65 3i26 n GLN 45 N -3.86 1.86 -1.89 1.05 1.13 -1.26 -4.95 117.38 109.46 3i26 n GLN 45 Ca 0.02 -1.26 -0.41 0.00 -1.94 0.00 0.00 57.00 53.41 3i26 n GLN 45 Cb 0.35 -1.45 -0.01 0.00 0.11 0.00 0.00 30.24 29.24 3i26 n GLN 45 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3i26 s SER 46 N -1.80 6.48 0.00 1.08 0.15 -0.48 -1.02 113.70 118.11 3i26 s SER 46 Ca 0.35 2.91 0.24 0.00 0.70 0.00 0.00 55.95 60.14 3i26 s SER 46 Cb 0.20 -2.65 0.78 0.00 -1.71 0.00 0.00 66.02 62.64 3i26 s SER 46 CO 0.30 -0.79 1.58 -0.81 1.20 0.00 0.00 173.24 174.73 3i26 n PRO 47 N 1.08 1.82 0.15 5.44 -0.04 -1.26 -4.90 135.00 137.29 3i26 n PRO 47 Ca 0.03 -1.22 0.03 0.00 -0.04 0.00 0.00 63.50 62.30 3i26 n PRO 47 Cb 0.40 -1.44 0.42 0.00 -0.04 0.00 0.00 33.50 32.83 3i26 n PRO 47 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3i26 h MET 48 N 2.65 0.16 -0.00 0.54 2.86 -1.44 -2.31 114.93 117.38 3i26 h MET 48 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3i26 h MET 48 Cb 0.57 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3i26 h MET 48 CO 0.00 0.32 -0.00 -1.13 1.06 0.00 0.00 176.91 177.16 3i26 n SER 49 N -4.28 0.32 -4.86 1.22 3.41 -1.06 -2.87 113.62 105.50 3i26 n SER 49 Ca -0.01 -1.07 -0.34 0.00 -0.26 0.00 0.00 58.87 57.19 3i26 n SER 49 Cb 0.27 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 3i26 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i26 s LEU 50 N -2.03 4.29 -0.01 1.04 1.43 -0.87 -4.24 118.68 118.30 3i26 s LEU 50 Ca 0.45 0.98 0.18 0.00 -1.03 0.00 0.00 54.13 54.71 3i26 s LEU 50 Cb 0.22 -3.35 -0.22 0.00 0.03 0.00 0.00 46.19 42.87 3i26 s LEU 50 CO 0.37 0.06 0.67 0.47 0.23 0.00 0.00 176.35 178.15 3i26 n ASP 51 N 0.53 0.83 -4.89 2.29 8.00 0.38 -4.24 116.55 119.44 3i26 n ASP 51 Ca -0.04 -0.70 -0.21 0.00 0.71 0.00 0.00 54.79 54.54 3i26 n ASP 51 Cb 0.52 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.79 3i26 n ASP 51 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i26 s ILE 52 N -2.83 4.81 0.21 0.53 -4.36 -1.22 -3.69 121.20 114.66 3i26 s ILE 52 Ca 0.04 -1.21 -0.31 0.00 -0.26 0.00 0.00 60.65 58.91 3i26 s ILE 52 Cb 0.13 -3.61 -0.11 0.00 1.25 0.00 0.00 42.46 40.12 3i26 s ILE 52 CO 0.74 -0.34 1.56 -2.84 0.24 0.00 0.00 174.94 174.31 3i26 s PRO 53 N -3.91 4.20 0.35 0.37 0.02 -1.26 -4.89 135.00 129.87 3i26 s PRO 53 Ca 0.34 2.42 0.14 0.00 0.02 0.00 0.00 61.00 63.91 3i26 s PRO 53 Cb -0.08 -3.11 1.00 0.00 0.02 0.00 0.00 34.50 32.33 3i26 s PRO 53 CO 0.27 -0.59 1.73 0.37 -0.33 0.00 0.00 177.00 178.45 3i26 h GLN 54 N 6.03 0.46 0.00 5.54 4.15 -1.98 0.17 115.11 129.48 3i26 h GLN 54 Ca -0.44 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3i26 h GLN 54 Cb 1.21 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3i26 h GLN 54 CO 0.87 0.30 0.00 0.00 -1.93 0.00 0.00 178.83 178.07 3i26 n GLN 55 N -4.83 0.17 0.00 1.69 0.00 -1.26 -1.66 117.38 111.49 3i26 n GLN 55 Ca 0.28 0.42 0.13 0.00 0.00 0.00 0.00 57.00 57.83 3i26 n GLN 55 Cb 0.85 -1.84 0.33 0.00 0.00 0.00 0.00 30.24 29.57 3i26 n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3i26 n LEU 56 N -2.16 1.12 -0.32 2.61 4.77 0.58 -4.40 117.00 119.20 3i26 n LEU 56 Ca 0.02 -0.31 0.18 0.00 -0.03 0.00 0.00 56.01 55.87 3i26 n LEU 56 Cb 0.20 -0.11 0.38 0.00 -2.33 0.00 0.00 43.42 41.56 3i26 n LEU 56 CO 0.18 0.21 1.06 0.00 -1.33 0.00 0.00 177.39 177.51 3i26 h PRO 58 N 0.34 0.00 -0.00 0.00 0.11 -1.82 -1.95 132.00 128.69 3i26 h PRO 58 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 3i26 h PRO 58 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3i26 h PRO 58 CO -0.59 0.00 -0.27 1.63 -0.21 0.00 0.00 178.00 178.56 3i26 n LYS 59 N -2.57 0.03 -4.20 1.05 4.76 -0.32 -4.89 118.16 112.01 3i26 n LYS 59 Ca -0.00 -0.01 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 3i26 n LYS 59 Cb 0.15 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.76 3i26 n LYS 59 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3i26 s PHE 60 N -2.98 3.18 -0.40 2.13 0.40 -0.73 -0.75 117.98 118.83 3i26 s PHE 60 Ca 0.13 0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.51 3i26 s PHE 60 Cb 0.18 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 42.06 3i26 s PHE 60 CO 0.62 0.51 0.23 0.45 0.70 0.00 0.00 175.22 177.72 3i26 s SER 61 N -1.60 5.63 -0.03 1.36 0.15 0.52 -4.93 113.70 114.80 3i26 s SER 61 Ca 0.21 -1.32 -0.10 0.00 0.70 0.00 0.00 55.95 55.44 3i26 s SER 61 Cb -0.12 -1.99 0.01 0.00 -1.71 0.00 0.00 66.02 62.22 3i26 s SER 61 CO 0.11 -0.47 0.22 -0.44 1.20 0.00 0.00 173.24 173.86 3i26 s SER 62 N 1.88 -0.12 -0.10 5.45 0.01 -1.26 -1.60 113.70 117.96 3i26 s SER 62 Ca 0.02 0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.32 3i26 s SER 62 Cb -0.22 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.38 3i26 s SER 62 CO 0.03 -0.31 0.22 -0.75 0.41 0.00 0.00 173.24 172.85 3i26 s LYS 63 N -0.91 0.17 0.12 12.44 2.47 -1.19 -4.84 119.74 127.99 3i26 s LYS 63 Ca -0.10 0.51 -0.35 0.00 -1.56 0.00 0.00 55.97 54.47 3i26 s LYS 63 Cb -0.05 -0.14 -0.16 0.00 -1.46 0.00 0.00 37.83 36.02 3i26 s LYS 63 CO 0.02 -0.18 1.35 0.43 0.16 0.00 0.00 175.35 177.13 3i26 n SER 64 N 4.36 1.83 0.00 1.43 7.64 -1.26 -1.70 113.62 125.93 3i26 n SER 64 Ca -0.23 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3i26 n SER 64 Cb 0.52 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3i26 n SER 64 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i26 n SER 65 N 2.55 0.00 -5.00 6.43 7.64 -1.26 -4.80 113.62 119.18 3i26 n SER 65 Ca 0.17 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.87 3i26 n SER 65 Cb 0.22 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.00 3i26 n SER 65 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i26 s SER 66 N -2.93 5.51 0.16 6.43 0.15 -0.69 -4.39 113.70 117.94 3i26 s SER 66 Ca 0.00 -0.38 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 3i26 s SER 66 Cb 0.00 -0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 63.71 3i26 s SER 66 CO 0.00 -0.91 0.30 -0.94 1.20 0.00 0.00 173.24 172.89 3i26 s SER 67 N -4.40 0.02 0.28 5.45 1.04 -1.26 -4.56 113.70 110.26 3i26 s SER 67 Ca 0.56 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 56.24 3i26 s SER 67 Cb -0.10 0.44 0.38 0.00 0.10 0.00 0.00 66.02 66.85 3i26 s SER 67 CO 0.35 -0.89 1.65 0.24 0.98 0.00 0.00 173.24 175.56 3i26 h MET 68 N 2.53 0.20 0.14 4.02 0.00 -1.94 -1.98 114.93 117.90 3i26 h MET 68 Ca -0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 59.70 59.26 3i26 h MET 68 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 31.60 32.84 3i26 h MET 68 CO 0.48 0.66 -0.07 0.35 0.00 0.00 0.00 176.91 178.33 3i26 h PHE 69 N 0.16 -0.17 -0.68 -0.22 3.57 -1.96 -2.38 116.94 115.26 3i26 h PHE 69 Ca 0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3i26 h PHE 69 Cb 0.94 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 3i26 h PHE 69 CO 0.01 0.26 0.30 1.25 -2.23 0.00 0.00 178.31 177.90 3i26 h LEU 70 N -0.68 0.35 -1.10 0.59 6.46 -1.95 -2.37 115.31 116.61 3i26 h LEU 70 Ca -0.02 0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.73 3i26 h LEU 70 Cb 0.50 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 3i26 h LEU 70 CO 0.03 0.20 -0.40 0.28 -0.62 0.00 0.00 178.44 177.92 3i26 h SER 71 N 0.51 0.00 -0.77 1.25 0.02 -1.38 -0.34 113.55 112.85 3i26 h SER 71 Ca 0.34 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 3i26 h SER 71 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3i26 h SER 71 CO -0.30 0.40 0.39 0.25 -1.14 0.00 0.00 176.83 176.44 3i26 h LEU 72 N 0.00 0.98 0.00 5.07 5.85 -0.87 -3.31 115.31 123.04 3i26 h LEU 72 Ca -0.00 -0.12 -0.22 0.00 0.84 0.00 0.00 57.88 58.38 3i26 h LEU 72 Cb 0.81 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3i26 h LEU 72 CO 0.05 0.83 -1.75 1.41 -0.34 0.00 0.00 178.44 178.64 3i26 n HIS 73 N -4.40 0.66 -4.24 1.25 8.25 -0.96 -4.55 115.22 111.23 3i26 n HIS 73 Ca 0.07 0.23 -0.19 0.00 -0.26 0.00 0.00 57.72 57.57 3i26 n HIS 73 Cb 0.12 -1.03 -0.13 0.00 1.12 0.00 0.00 29.99 30.08 3i26 n HIS 73 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3i26 s TRP 74 N -2.83 1.16 0.00 4.41 0.51 -0.18 -0.18 118.94 121.83 3i26 s TRP 74 Ca -0.05 -0.41 0.00 0.00 -2.12 0.00 0.00 56.10 53.52 3i26 s TRP 74 Cb 0.08 -0.67 0.00 0.00 -0.81 0.00 0.00 33.47 32.07 3i26 s TRP 74 CO 0.83 0.04 0.00 0.09 -0.51 0.00 0.00 176.95 177.39 3i26 n ASN 75 N 1.59 0.00 -4.71 2.95 3.02 -1.26 -4.40 115.26 112.45 3i26 n ASN 75 Ca -0.20 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.56 3i26 n ASN 75 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3i26 n ASN 75 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i26 s ASN 76 N -1.00 7.08 0.33 6.41 0.01 -1.26 -4.49 114.94 122.02 3i26 s ASN 76 Ca 0.00 1.96 0.07 0.00 -0.71 0.00 0.00 52.86 54.18 3i26 s ASN 76 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3i26 s ASN 76 CO 0.00 -0.49 0.26 -1.00 -1.51 0.00 0.00 177.10 174.36 3i26 s HIS 77 N 1.31 1.74 0.20 2.20 3.76 -0.70 -4.99 115.29 118.80 3i26 s HIS 77 Ca 0.58 -1.62 -0.10 0.00 -0.15 0.00 0.00 55.06 53.77 3i26 s HIS 77 Cb -0.28 -0.76 0.25 0.00 1.11 0.00 0.00 32.58 32.90 3i26 s HIS 77 CO 0.28 -0.80 1.75 0.66 -0.85 0.00 0.00 174.74 175.78 3i26 h SER 78 N 2.11 0.25 -0.36 1.40 4.64 -2.06 -1.84 113.55 117.69 3i26 h SER 78 Ca -0.26 0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 60.96 3i26 h SER 78 Cb 1.24 0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 63.27 3i26 h SER 78 CO 0.39 0.15 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.92 3i26 n SER 79 N -4.98 2.71 -3.89 4.97 3.41 -1.26 -4.91 113.62 109.67 3i26 n SER 79 Ca 0.08 -3.66 -0.29 0.00 -0.26 0.00 0.00 58.87 54.74 3i26 n SER 79 Cb 0.25 -0.63 -0.16 0.00 -0.26 0.00 0.00 64.21 63.41 3i26 n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i26 s PHE 80 N -3.19 1.93 -0.44 7.33 0.40 -0.69 -5.09 117.98 118.24 3i26 s PHE 80 Ca 0.45 -1.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.25 3i26 s PHE 80 Cb 0.40 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.57 3i26 s PHE 80 CO 0.01 -0.69 0.35 0.08 0.70 0.00 0.00 175.22 175.67 3i26 s VAL 81 N 1.55 5.24 -0.11 -0.44 1.01 -1.26 -1.73 120.40 124.67 3i26 s VAL 81 Ca -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3i26 s VAL 81 Cb -0.17 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3i26 s VAL 81 CO -0.07 -0.44 0.10 -0.55 0.00 0.00 0.00 175.10 174.14 3i26 s SER 82 N 2.10 6.05 -0.01 3.32 0.15 -1.26 -4.03 113.70 120.02 3i26 s SER 82 Ca 0.05 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.08 3i26 s SER 82 Cb -0.21 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 3i26 s SER 82 CO 0.09 0.40 -0.04 -0.47 1.20 0.00 0.00 173.24 174.41 3i26 s TYR 83 N -1.00 0.43 -1.38 3.44 6.04 -1.26 -4.83 117.35 118.78 3i26 s TYR 83 Ca 0.15 -0.08 -0.13 0.00 0.04 0.00 0.00 57.07 57.05 3i26 s TYR 83 Cb -0.12 -0.30 0.08 0.00 -1.04 0.00 0.00 41.96 40.58 3i26 s TYR 83 CO 0.04 -0.03 2.04 -0.25 -1.54 0.00 0.00 175.55 175.81 3i26 n ASP 84 N 3.13 4.38 -4.60 4.32 8.00 -1.26 -4.86 116.55 125.66 3i26 n ASP 84 Ca -0.15 -2.93 -0.48 0.00 0.71 0.00 0.00 54.79 51.95 3i26 n ASP 84 Cb 0.57 -1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.01 3i26 n ASP 84 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i26 n TYR 85 N 5.80 1.46 -3.54 1.24 4.01 -1.26 -4.76 117.16 120.10 3i26 n TYR 85 Ca 0.48 0.63 0.00 0.00 -0.16 0.00 0.00 57.90 58.85 3i26 n TYR 85 Cb 0.39 -2.31 -0.04 0.00 -0.31 0.00 0.00 39.34 37.08 3i26 n TYR 85 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3i26 s PHE 86 N -0.19 -1.23 0.07 -0.72 5.36 -1.26 -0.85 117.98 119.17 3i26 s PHE 86 Ca 0.72 2.02 -0.26 0.00 -0.96 0.00 0.00 56.93 58.44 3i26 s PHE 86 Cb -0.81 0.69 0.08 0.00 -0.34 0.00 0.00 43.02 42.65 3i26 s PHE 86 CO 0.52 -0.62 0.71 1.21 -1.46 0.00 0.00 175.22 175.58 3i26 s ASN 87 N 2.81 -0.52 -0.02 6.13 3.84 -0.67 -4.69 114.94 121.83 3i26 s ASN 87 Ca -0.03 0.13 0.04 0.00 0.21 0.00 0.00 52.86 53.21 3i26 s ASN 87 Cb -0.11 0.52 -0.01 0.00 -0.55 0.00 0.00 41.25 41.10 3i26 s ASN 87 CO -0.19 -0.79 -0.14 0.00 -2.79 0.00 0.00 177.10 173.19 3i26 s GLY 89 N -0.14 0.44 0.15 0.00 0.00 -0.14 -4.38 107.32 103.27 3i26 s GLY 89 Ca 0.01 3.62 -0.16 0.00 0.00 0.00 0.00 44.72 48.19 3i26 s GLY 89 CO 0.00 2.27 1.79 -2.08 0.00 0.00 0.00 173.10 175.08 3i26 h VAL 90 N 3.86 1.13 -2.88 1.40 2.07 -1.52 -3.42 116.25 116.88 3i26 h VAL 90 Ca -0.27 -0.27 -0.63 0.00 0.82 0.00 0.00 66.70 66.36 3i26 h VAL 90 Cb 1.18 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 3i26 h VAL 90 CO 0.20 0.12 -0.49 -1.61 0.02 0.00 0.00 177.57 175.81 3i26 s GLU 91 N -6.05 3.44 -0.05 1.57 2.02 -0.93 -4.85 118.70 113.86 3i26 s GLU 91 Ca -0.13 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 3i26 s GLU 91 Cb 0.11 -3.06 0.03 0.00 0.10 0.00 0.00 34.13 31.31 3i26 s GLU 91 CO 0.73 0.63 0.10 0.15 0.02 0.00 0.00 175.26 176.89 3i26 s LYS 92 N -2.30 0.03 -0.17 1.61 1.02 -1.26 -1.15 119.74 117.53 3i26 s LYS 92 Ca 0.32 0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.62 3i26 s LYS 92 Cb -0.13 -0.21 0.02 0.00 -0.52 0.00 0.00 37.83 36.98 3i26 s LYS 92 CO 0.24 -0.17 -0.20 0.08 -0.92 0.00 0.00 175.35 174.38 3i26 s VAL 93 N 1.14 2.10 -0.18 3.17 1.01 0.01 -1.17 120.40 126.48 3i26 s VAL 93 Ca -0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3i26 s VAL 93 Cb -0.12 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3i26 s VAL 93 CO -0.05 0.54 0.01 -0.36 0.00 0.00 0.00 175.10 175.24 3i26 s PHE 94 N 1.11 3.10 -0.42 5.22 0.08 0.28 -0.98 117.98 126.37 3i26 s PHE 94 Ca 0.00 -0.22 0.07 0.00 0.12 0.00 0.00 56.93 56.91 3i26 s PHE 94 Cb -0.14 -2.04 0.24 0.00 -0.57 0.00 0.00 43.02 40.51 3i26 s PHE 94 CO -0.09 -0.04 0.59 0.98 -0.10 0.00 0.00 175.22 176.57 3i26 n TYR 95 N 3.77 -1.20 -3.96 0.36 9.36 0.23 -1.39 117.16 124.33 3i26 n TYR 95 Ca -0.17 -3.06 -0.09 0.00 3.32 0.00 0.00 57.90 57.90 3i26 n TYR 95 Cb 0.52 0.20 -0.04 0.00 -0.63 0.00 0.00 39.34 39.39 3i26 n TYR 95 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3i26 s GLU 96 N -0.57 1.68 0.00 2.98 4.04 -1.26 -3.62 118.70 121.95 3i26 s GLU 96 Ca 0.34 -1.25 0.00 0.00 0.04 0.00 0.00 54.97 54.10 3i26 s GLU 96 Cb 0.16 0.51 0.00 0.00 0.02 0.00 0.00 34.13 34.83 3i26 s GLU 96 CO -0.15 -0.73 0.00 0.41 -1.84 0.00 0.00 175.26 172.96 3i26 n GLY 97 N -0.43 3.06 0.24 -3.83 0.00 -1.26 -4.74 105.19 98.23 3i26 n GLY 97 Ca -0.02 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.68 3i26 n GLY 97 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3i26 h VAL 98 N 0.00 1.07 0.00 1.61 3.04 -1.90 -2.08 116.25 117.98 3i26 h VAL 98 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3i26 h VAL 98 Cb 0.00 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 3i26 h VAL 98 CO 0.00 0.09 0.00 0.59 -1.01 0.00 0.00 177.57 177.24 3i26 n ASN 99 N -4.43 0.00 -3.72 3.17 3.02 -1.26 -3.22 115.26 108.82 3i26 n ASN 99 Ca -0.03 -0.58 -0.30 0.00 -0.03 0.00 0.00 54.58 53.64 3i26 n ASN 99 Cb 0.17 -0.01 -0.13 0.00 -0.61 0.00 0.00 39.78 39.20 3i26 n ASN 99 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i26 s PHE 100 N -2.01 1.99 0.32 3.10 5.36 -0.78 -4.90 117.98 121.05 3i26 s PHE 100 Ca 0.28 -2.33 0.05 0.00 -0.96 0.00 0.00 56.93 53.97 3i26 s PHE 100 Cb 0.13 -1.89 -0.03 0.00 -0.34 0.00 0.00 43.02 40.89 3i26 s PHE 100 CO 0.22 -0.80 0.23 -1.12 -1.46 0.00 0.00 175.22 172.29 3i26 s SER 101 N 0.57 1.55 0.61 6.13 0.01 -1.20 -5.00 113.70 116.37 3i26 s SER 101 Ca 0.16 -1.68 0.36 0.00 1.31 0.00 0.00 55.95 56.11 3i26 s SER 101 Cb -0.23 0.51 2.00 0.00 0.21 0.00 0.00 66.02 68.51 3i26 s SER 101 CO -0.04 -1.00 2.26 -0.65 0.41 0.00 0.00 173.24 174.22 3i26 h PRO 102 N 2.18 0.00 -0.94 12.44 0.11 -1.82 -0.96 132.00 143.01 3i26 h PRO 102 Ca -0.28 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.02 3i26 h PRO 102 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 3i26 h PRO 102 CO 0.42 0.02 0.60 -0.09 -0.21 0.00 0.00 178.00 178.75 3i26 h ARG 103 N 0.00 0.52 0.00 1.05 2.43 -1.81 -1.57 114.38 115.00 3i26 h ARG 103 Ca -0.00 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3i26 h ARG 103 Cb 0.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3i26 h ARG 103 CO 0.00 0.34 -0.31 -0.22 -1.51 0.00 0.00 179.97 178.27 3i26 h LYS 104 N 0.53 0.00 -4.96 0.20 3.64 -1.49 -3.47 116.57 111.02 3i26 h LYS 104 Ca 0.50 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.51 3i26 h LYS 104 Cb 1.07 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.99 3i26 h LYS 104 CO -0.23 0.31 -0.60 1.04 -2.27 0.00 0.00 179.45 177.69 3i26 n GLN 105 N -3.89 -6.30 -3.45 1.90 1.13 -0.59 -4.97 117.38 101.20 3i26 n GLN 105 Ca -0.02 0.79 -0.37 0.00 -1.94 0.00 0.00 57.00 55.47 3i26 n GLN 105 Cb 0.38 -5.59 -0.06 0.00 0.11 0.00 0.00 30.24 25.08 3i26 n GLN 105 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3i26 s TYR 106 N -3.23 3.52 0.27 1.08 5.04 -1.26 -4.95 117.35 117.82 3i26 s TYR 106 Ca 0.44 0.77 -0.09 0.00 -2.44 0.00 0.00 57.07 55.75 3i26 s TYR 106 Cb -0.20 -2.41 -0.01 0.00 0.35 0.00 0.00 41.96 39.70 3i26 s TYR 106 CO 0.55 0.28 0.45 -1.54 -1.34 0.00 0.00 175.55 173.94 3i26 s SER 107 N 0.28 0.14 0.14 4.32 1.04 -1.26 -4.14 113.70 114.22 3i26 s SER 107 Ca 0.21 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3i26 s SER 107 Cb -0.14 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3i26 s SER 107 CO 0.08 -1.16 0.00 0.00 0.98 0.00 0.00 173.24 173.14 3i26 n TRP 109 N -3.40 0.00 1.15 0.00 7.02 -1.26 -0.72 117.44 120.23 3i26 n TRP 109 Ca 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.54 3i26 n TRP 109 Cb 0.05 0.00 0.21 0.00 -2.42 0.00 0.00 31.31 29.15 3i26 n TRP 109 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3i26 n ASP 110 N 0.00 1.51 0.20 -0.99 8.00 -0.00 -4.26 116.55 121.01 3i26 n ASP 110 Ca 0.00 -1.90 0.14 0.00 0.71 0.00 0.00 54.79 53.74 3i26 n ASP 110 Cb 0.00 -0.16 0.51 0.00 -0.02 0.00 0.00 41.12 41.45 3i26 n ASP 110 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3i26 h GLU 111 N 1.75 0.00 -0.77 -1.24 9.09 -1.91 -3.47 114.58 118.02 3i26 h GLU 111 Ca 0.00 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.50 3i26 h GLU 111 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.46 3i26 h GLU 111 CO 0.00 0.00 -0.19 0.41 0.05 0.00 0.00 179.01 179.28 3i26 n GLY 112 N 0.33 -1.92 0.25 1.06 0.00 -1.26 -2.42 105.19 101.23 3i26 n GLY 112 Ca 0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 3i26 n GLY 112 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i26 h VAL 113 N -0.32 1.06 -0.55 1.61 2.07 -1.93 -2.04 116.25 116.15 3i26 h VAL 113 Ca -0.01 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3i26 h VAL 113 Cb 0.31 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3i26 h VAL 113 CO 0.01 0.14 0.36 0.44 0.02 0.00 0.00 177.57 178.54 3i26 h ASP 114 N 0.75 0.57 -0.62 0.57 3.32 -1.89 -2.11 116.42 117.01 3i26 h ASP 114 Ca 0.26 -0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.42 3i26 h ASP 114 Cb 0.05 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.37 3i26 h ASP 114 CO -0.12 0.40 0.15 1.23 -1.72 0.00 0.00 179.24 179.19 3i26 h GLY 115 N 0.67 0.81 2.00 2.75 0.00 -1.01 -1.16 103.07 107.13 3i26 h GLY 115 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 3i26 h GLY 115 CO -0.05 -0.11 -0.41 1.49 0.00 0.00 0.00 176.54 177.46 3i26 h TRP 116 N 0.28 0.00 -0.16 5.60 4.06 -1.36 -2.00 115.95 122.36 3i26 h TRP 116 Ca 0.33 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.13 3i26 h TRP 116 Cb 0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.63 3i26 h TRP 116 CO -0.24 0.41 -0.53 0.82 -3.56 0.00 0.00 178.44 175.34 3i26 h ILE 117 N 0.00 1.33 -0.65 1.49 1.08 -1.06 0.50 117.51 120.19 3i26 h ILE 117 Ca -0.00 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 3i26 h ILE 117 Cb 0.98 1.78 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 3i26 h ILE 117 CO 0.05 0.55 0.35 -0.08 -0.69 0.00 0.00 178.15 178.33 3i26 h GLU 118 N 0.36 0.91 -0.60 2.37 4.57 -0.97 -1.38 114.58 119.84 3i26 h GLU 118 Ca 0.01 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 3i26 h GLU 118 Cb 1.05 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 3i26 h GLU 118 CO 0.09 0.70 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.54 3i26 h LEU 119 N 0.89 1.05 -0.32 1.64 3.38 -1.03 -0.49 115.31 120.43 3i26 h LEU 119 Ca 0.23 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3i26 h LEU 119 Cb 0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3i26 h LEU 119 CO -0.03 1.10 0.03 0.50 0.09 0.00 0.00 178.44 180.13 3i26 h LYS 120 N 0.97 0.13 -0.37 1.13 3.64 -0.79 -0.47 116.57 120.81 3i26 h LYS 120 Ca 0.17 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3i26 h LYS 120 Cb 0.57 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3i26 h LYS 120 CO 0.03 0.09 0.21 1.15 -2.27 0.00 0.00 179.45 178.66 3i26 h THR 121 N 0.13 1.03 -0.54 1.00 2.02 -0.89 -1.53 112.91 114.12 3i26 h THR 121 Ca 0.15 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.21 3i26 h THR 121 Cb 0.19 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3i26 h THR 121 CO -0.23 0.08 0.33 0.03 0.37 0.00 0.00 175.52 176.09 3i26 h ARG 122 N 0.43 0.63 0.20 6.66 3.08 -0.56 -2.22 114.38 122.61 3i26 h ARG 122 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3i26 h ARG 122 Cb 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3i26 h ARG 122 CO -0.08 0.42 -0.10 0.35 -1.07 0.00 0.00 179.97 179.49 3i26 h PHE 123 N 0.65 -0.25 -0.32 3.04 3.57 -0.86 -2.04 116.94 120.73 3i26 h PHE 123 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3i26 h PHE 123 Cb 0.02 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3i26 h PHE 123 CO -0.06 -0.06 0.04 1.88 -2.23 0.00 0.00 178.31 177.88 3i26 h TYR 124 N -0.40 0.49 -0.14 0.41 0.05 -1.24 -0.17 116.97 115.98 3i26 h TYR 124 Ca -0.03 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.74 3i26 h TYR 124 Cb 0.30 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3i26 h TYR 124 CO -0.03 0.46 -0.03 1.15 -1.05 0.00 0.00 178.16 178.67 3i26 h THR 125 N 0.47 0.87 -0.34 -2.88 2.02 -1.23 0.68 112.91 112.51 3i26 h THR 125 Ca 0.11 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 3i26 h THR 125 Cb 0.25 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3i26 h THR 125 CO 0.00 0.00 -0.08 0.50 0.37 0.00 0.00 175.52 176.31 3i26 h LYS 126 N 0.01 0.65 -0.09 6.66 1.63 -0.96 -2.40 116.57 122.07 3i26 h LYS 126 Ca 0.07 -0.25 0.02 0.00 -0.85 0.00 0.00 60.65 59.64 3i26 h LYS 126 Cb 0.10 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3i26 h LYS 126 CO -0.14 0.82 -0.04 1.25 -3.45 0.00 0.00 179.45 177.89 3i26 h LEU 127 N 0.43 -0.14 -0.53 5.20 5.85 -0.84 -0.48 115.31 124.80 3i26 h LEU 127 Ca 0.09 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3i26 h LEU 127 Cb 0.58 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3i26 h LEU 127 CO 0.03 -0.06 0.32 1.88 -0.34 0.00 0.00 178.44 180.27 3i26 h TYR 128 N -0.03 0.59 -0.09 1.25 0.05 -0.88 0.09 116.97 117.95 3i26 h TYR 128 Ca 0.05 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.87 3i26 h TYR 128 Cb 0.11 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3i26 h TYR 128 CO -0.16 0.34 -0.03 1.96 -1.05 0.00 0.00 178.16 179.22 3i26 h GLN 129 N 0.63 -0.02 -0.17 4.88 4.20 -1.20 -2.82 115.11 120.61 3i26 h GLN 129 Ca 0.21 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 3i26 h GLN 129 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3i26 h GLN 129 CO -0.10 -0.01 -0.40 0.52 -0.67 0.00 0.00 178.83 178.17 3i26 h MET 130 N -0.02 0.39 -0.44 1.46 2.86 -0.96 -2.97 114.93 115.26 3i26 h MET 130 Ca 0.05 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3i26 h MET 130 Cb 0.09 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3i26 h MET 130 CO -0.10 0.74 0.30 0.00 1.06 0.00 0.00 176.91 178.90 3i26 h ALA 131 N 1.24 1.94 0.00 6.32 0.00 -0.73 -2.86 119.26 125.18 3i26 h ALA 131 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i26 h ALA 131 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3i26 h ALA 131 CO 0.07 -0.02 0.00 1.79 0.00 0.00 0.00 179.25 181.09 3i26 h THR 132 N 0.37 0.00 -0.29 0.00 1.35 -1.34 -2.44 112.91 110.56 3i26 h THR 132 Ca 0.19 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3i26 h THR 132 Cb 0.28 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3i26 h THR 132 CO -0.04 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.58 3i26 n THR 133 N -2.77 2.05 -4.29 6.82 -2.24 -1.08 -1.85 114.28 110.92 3i26 n THR 133 Ca 0.01 -1.69 -0.18 0.00 -2.27 0.00 0.00 64.05 59.93 3i26 n THR 133 Cb 0.27 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.30 3i26 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i26 s SER 134 N -1.71 2.22 -0.25 3.42 0.01 -0.92 -1.38 113.70 115.09 3i26 s SER 134 Ca 0.39 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.58 3i26 s SER 134 Cb 0.30 -0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.34 3i26 s SER 134 CO 0.11 -0.19 -0.33 -1.14 0.41 0.00 0.00 173.24 172.09 3i26 n ARG 135 N 0.01 0.54 -3.87 12.44 0.63 -1.26 -4.69 116.66 120.46 3i26 n ARG 135 Ca -0.11 0.24 -0.36 0.00 -0.92 0.00 0.00 57.85 56.70 3i26 n ARG 135 Cb 0.59 -1.42 -0.06 0.00 0.45 0.00 0.00 32.46 32.03 3i26 n ARG 135 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i26 s ILE 137 N -1.12 0.62 -0.05 0.00 1.01 0.02 -2.66 121.20 119.02 3i26 s ILE 137 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 3i26 s ILE 137 Cb -0.12 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.66 3i26 s ILE 137 CO 0.09 0.29 0.03 -0.75 0.00 0.00 0.00 174.94 174.61 3i26 s LYS 138 N 1.73 0.19 -0.24 2.79 2.20 0.28 -1.66 119.74 125.02 3i26 s LYS 138 Ca 0.03 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 3i26 s LYS 138 Cb -0.13 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 3i26 s LYS 138 CO -0.05 -0.30 1.16 -1.17 -0.36 0.00 0.00 175.35 174.63 3i26 s LEU 139 N 2.00 4.05 0.16 5.43 2.96 -0.03 -0.21 118.68 133.03 3i26 s LEU 139 Ca 0.04 1.37 0.10 0.00 -0.22 0.00 0.00 54.13 55.42 3i26 s LEU 139 Cb -0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3i26 s LEU 139 CO -0.04 -0.82 -0.19 0.27 -1.32 0.00 0.00 176.35 174.26 3i26 s ILE 140 N 3.61 2.72 0.01 6.68 -4.36 0.42 -4.72 121.20 125.55 3i26 s ILE 140 Ca 0.50 -1.73 -0.23 0.00 -0.26 0.00 0.00 60.65 58.93 3i26 s ILE 140 Cb -0.17 -2.28 -0.05 0.00 1.25 0.00 0.00 42.46 41.21 3i26 s ILE 140 CO 0.14 -0.02 0.70 -1.10 0.24 0.00 0.00 174.94 174.90 3i26 s GLN 141 N -2.46 4.43 0.27 0.37 -1.52 -1.26 -1.83 119.66 117.67 3i26 s GLN 141 Ca 0.20 0.93 -0.05 0.00 -1.95 0.00 0.00 55.36 54.49 3i26 s GLN 141 Cb -0.09 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.27 3i26 s GLN 141 CO 0.11 0.27 0.53 -0.51 -0.25 0.00 0.00 175.29 175.44 3i26 s LEU 142 N 0.07 4.08 0.43 2.90 1.43 0.67 -4.94 118.68 123.33 3i26 s LEU 142 Ca 0.36 0.69 -0.24 0.00 -1.03 0.00 0.00 54.13 53.90 3i26 s LEU 142 Cb -0.19 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.45 3i26 s LEU 142 CO 0.20 -0.17 1.24 -1.10 0.23 0.00 0.00 176.35 176.75 3i26 s GLN 143 N -3.47 3.84 0.39 1.70 -1.52 -1.26 -4.86 119.66 114.48 3i26 s GLN 143 Ca 0.43 1.98 -0.27 0.00 -1.95 0.00 0.00 55.36 55.55 3i26 s GLN 143 Cb -0.11 -2.59 -0.11 0.00 -0.22 0.00 0.00 33.01 29.99 3i26 s GLN 143 CO 0.29 -0.54 1.46 0.00 -0.25 0.00 0.00 175.29 176.26 3i26 n ALA 144 N -0.17 2.24 -1.73 6.09 0.00 -1.26 -4.74 120.51 120.93 3i26 n ALA 144 Ca 0.06 0.32 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 3i26 n ALA 144 Cb 0.46 -2.40 0.05 0.00 0.00 0.00 0.00 19.45 17.55 3i26 n ALA 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i26 n PRO 145 N 0.30 1.54 -2.14 0.00 -0.02 -1.26 -4.97 135.00 128.44 3i26 n PRO 145 Ca 0.02 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 3i26 n PRO 145 Cb 0.39 -2.54 0.01 0.00 -0.02 0.00 0.00 33.50 31.34 3i26 n PRO 145 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3i26 s SER 146 N -1.02 5.79 -1.39 2.55 0.01 -1.26 -4.07 113.70 114.31 3i26 s SER 146 Ca 0.74 2.37 -0.06 0.00 1.31 0.00 0.00 55.95 60.31 3i26 s SER 146 Cb -0.41 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.25 3i26 s SER 146 CO 0.47 -1.18 0.85 -1.20 0.41 0.00 0.00 173.24 172.59 3i26 n SER 147 N -0.89 -2.92 -4.71 2.44 7.64 -1.26 -4.74 113.62 109.18 3i26 n SER 147 Ca 0.10 -0.78 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 3i26 n SER 147 Cb 0.48 -4.11 -0.03 0.00 -1.01 0.00 0.00 64.21 59.54 3i26 n SER 147 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3i26 s LEU 148 N -6.93 4.37 1.14 -3.43 1.43 -1.26 -5.01 118.68 108.99 3i26 s LEU 148 Ca 0.29 2.65 -0.18 0.00 -1.03 0.00 0.00 54.13 55.86 3i26 s LEU 148 Cb -0.14 -3.59 0.26 0.00 0.03 0.00 0.00 46.19 42.75 3i26 s LEU 148 CO 0.81 -0.88 1.14 -2.16 0.23 0.00 0.00 176.35 175.48 3i26 s PRO 149 N 1.63 -0.72 0.27 1.29 0.04 -1.26 -4.96 135.00 131.28 3i26 s PRO 149 Ca 0.73 -0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 3i26 s PRO 149 Cb -0.44 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 3i26 s PRO 149 CO 0.32 -3.38 1.50 0.99 0.04 0.00 0.00 177.00 176.46 3i26 s THR 150 N -3.14 2.44 -0.02 1.26 2.01 -1.26 -5.01 115.64 111.92 3i26 s THR 150 Ca 0.70 0.37 -0.00 0.00 0.31 0.00 0.00 61.69 63.07 3i26 s THR 150 Cb -0.10 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.20 3i26 s THR 150 CO 0.56 0.06 0.04 -0.76 -0.69 0.00 0.00 174.62 173.83 3i26 s LEU 151 N -0.43 1.20 -0.15 4.42 1.43 -1.26 -4.14 118.68 119.75 3i26 s LEU 151 Ca 0.61 0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.63 3i26 s LEU 151 Cb -0.44 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 3i26 s LEU 151 CO 0.45 -0.11 0.33 -1.58 0.23 0.00 0.00 176.35 175.67 3i26 s GLN 152 N 0.88 4.25 0.29 1.70 0.74 -0.32 -4.91 119.66 122.30 3i26 s GLN 152 Ca -0.07 0.17 -0.30 0.00 0.05 0.00 0.00 55.36 55.20 3i26 s GLN 152 Cb -0.10 -3.42 -0.12 0.00 1.10 0.00 0.00 33.01 30.47 3i26 s GLN 152 CO -0.03 0.25 1.50 0.00 -0.55 0.00 0.00 175.29 176.46 3i26 n ALA 153 N 3.51 1.99 -0.87 1.58 0.00 -1.26 -0.65 120.51 124.81 3i26 n ALA 153 Ca -0.11 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 3i26 n ALA 153 Cb 0.52 -2.38 0.15 0.00 0.00 0.00 0.00 19.45 17.74 3i26 n ALA 153 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i26 s GLY 154 N 0.28 1.66 0.09 0.00 0.00 -0.65 -4.76 107.32 103.95 3i26 s GLY 154 Ca 0.63 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.75 3i26 s GLY 154 CO 0.52 0.81 -0.08 -1.34 0.00 0.00 0.00 173.10 173.01 3i26 s VAL 155 N -2.72 0.78 0.21 1.40 -7.23 -1.26 -4.93 120.40 106.64 3i26 s VAL 155 Ca 0.65 -1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 58.84 3i26 s VAL 155 Cb -0.21 -1.44 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 3i26 s VAL 155 CO 0.58 -0.70 0.80 0.00 -0.31 0.00 0.00 175.10 175.47 3i26 h ARG 157 N 3.91 0.44 0.00 0.00 9.65 -1.26 -1.11 114.38 126.01 3i26 h ARG 157 Ca -0.47 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3i26 h ARG 157 Cb 1.20 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 3i26 h ARG 157 CO 0.66 0.29 0.00 0.25 2.80 0.00 0.00 179.97 183.97 3i26 n THR 158 N -4.48 0.51 -1.25 0.20 -2.24 -0.63 -4.90 114.28 101.49 3i26 n THR 158 Ca 0.04 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 3i26 n THR 158 Cb 0.14 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.56 3i26 n THR 158 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i26 n ASN 159 N -1.47 -5.25 -4.51 3.42 3.02 -0.42 -5.01 115.26 105.05 3i26 n ASN 159 Ca 0.06 0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 3i26 n ASN 159 Cb 0.24 -3.90 0.16 0.00 -0.61 0.00 0.00 39.78 35.67 3i26 n ASN 159 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i26 s LYS 160 N -2.77 0.67 -0.05 3.52 1.02 -1.26 -4.94 119.74 115.92 3i26 s LYS 160 Ca 0.00 0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 3i26 s LYS 160 Cb 0.00 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 3i26 s LYS 160 CO 0.00 -2.48 1.48 -1.14 -0.92 0.00 0.00 175.35 172.29 3i26 s GLN 161 N -5.42 4.23 0.30 1.68 2.00 -1.26 -4.35 119.66 116.84 3i26 s GLN 161 Ca 0.67 2.00 -0.29 0.00 -2.00 0.00 0.00 55.36 55.74 3i26 s GLN 161 Cb -0.12 -3.77 -0.10 0.00 0.80 0.00 0.00 33.01 29.82 3i26 s GLN 161 CO 0.54 -0.71 1.31 -1.17 -0.50 0.00 0.00 175.29 174.75 3i26 s LEU 162 N 3.26 4.43 0.38 3.68 2.96 -1.26 -4.95 118.68 127.18 3i26 s LEU 162 Ca 0.66 2.62 -0.26 0.00 -0.22 0.00 0.00 54.13 56.93 3i26 s LEU 162 Cb -0.30 -3.64 -0.11 0.00 0.50 0.00 0.00 46.19 42.63 3i26 s LEU 162 CO 0.25 -0.53 1.16 -2.65 -1.32 0.00 0.00 176.35 173.27 3i26 n PRO 163 N 1.27 1.74 0.21 0.98 -0.02 -1.26 -4.88 135.00 133.05 3i26 n PRO 163 Ca 0.02 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3i26 n PRO 163 Cb 0.42 -2.19 0.16 0.00 -0.02 0.00 0.00 33.50 31.87 3i26 n PRO 163 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i26 h ASP 164 N 2.06 0.00 -3.34 2.55 3.32 -0.94 -3.43 116.42 116.65 3i26 h ASP 164 Ca -0.45 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.29 3i26 h ASP 164 Cb 1.31 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.51 3i26 h ASP 164 CO 0.60 0.02 -0.68 0.21 -1.72 0.00 0.00 179.24 177.66 3i26 s ASN 165 N -6.20 0.50 0.74 6.45 2.47 -0.42 -3.64 114.94 114.84 3i26 s ASN 165 Ca 0.07 0.17 -0.11 0.00 0.42 0.00 0.00 52.86 53.41 3i26 s ASN 165 Cb 0.05 0.04 0.04 0.00 -1.45 0.00 0.00 41.25 39.93 3i26 s ASN 165 CO 0.68 -0.20 1.08 -2.16 -3.72 0.00 0.00 177.10 172.78 3i26 s PRO 166 N 1.70 2.54 0.14 0.43 0.04 -1.26 -4.37 135.00 134.21 3i26 s PRO 166 Ca -0.02 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 3i26 s PRO 166 Cb -0.12 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3i26 s PRO 166 CO -0.04 -1.42 1.20 0.50 0.04 0.00 0.00 177.00 177.27 3i26 s ARG 167 N -4.90 4.47 -0.20 4.56 3.52 0.23 -4.85 118.95 121.78 3i26 s ARG 167 Ca 0.60 1.83 -0.03 0.00 -0.13 0.00 0.00 55.73 58.01 3i26 s ARG 167 Cb -0.16 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3i26 s ARG 167 CO 0.55 -0.15 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.64 3i26 s LEU 168 N 0.28 2.76 0.14 -0.88 2.96 -1.26 -2.06 118.68 120.62 3i26 s LEU 168 Ca 0.55 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3i26 s LEU 168 Cb -0.31 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 3i26 s LEU 168 CO 0.33 0.02 0.22 0.00 -1.32 0.00 0.00 176.35 175.60 3i26 s ALA 169 N 1.24 0.10 -0.13 5.97 0.00 -0.45 -1.63 121.76 126.85 3i26 s ALA 169 Ca 0.03 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3i26 s ALA 169 Cb -0.14 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 3i26 s ALA 169 CO -0.03 -0.58 -0.17 -0.51 0.00 0.00 0.00 175.76 174.47 3i26 s LEU 170 N -2.96 2.47 0.70 0.00 1.43 0.18 -0.90 118.68 119.61 3i26 s LEU 170 Ca 0.15 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 3i26 s LEU 170 Cb 0.04 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.73 3i26 s LEU 170 CO -0.02 0.13 1.07 -0.76 0.23 0.00 0.00 176.35 177.00 3i26 s LEU 171 N 0.52 2.98 0.35 1.79 1.43 0.14 -1.17 118.68 124.73 3i26 s LEU 171 Ca -0.11 1.41 0.26 0.00 -1.03 0.00 0.00 54.13 54.66 3i26 s LEU 171 Cb -0.16 -4.25 0.75 0.00 0.03 0.00 0.00 46.19 42.56 3i26 s LEU 171 CO 0.04 -1.42 1.74 0.28 0.23 0.00 0.00 176.35 177.22 3i26 h SER 172 N -0.70 0.00 -3.42 2.29 0.02 -1.88 -3.45 113.55 106.41 3i26 h SER 172 Ca -0.45 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.32 3i26 h SER 172 Cb 1.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 3i26 h SER 172 CO 0.60 0.00 -0.14 -0.90 -1.14 0.00 0.00 176.83 175.25 3i26 n ASP 173 N -2.68 1.78 -0.09 3.07 5.75 -1.26 -5.09 116.55 118.03 3i26 n ASP 173 Ca 0.04 -1.66 0.03 0.00 -0.01 0.00 0.00 54.79 53.19 3i26 n ASP 173 Cb 0.42 0.20 0.04 0.00 -1.03 0.00 0.00 41.12 40.75 3i26 n ASP 173 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3i26 n THR 174 N -0.33 0.98 -3.25 2.12 -2.24 -1.26 -3.05 114.28 107.25 3i26 n THR 174 Ca -0.04 -1.10 -0.29 0.00 -2.27 0.00 0.00 64.05 60.35 3i26 n THR 174 Cb 0.19 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3i26 n THR 174 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i26 s VAL 175 N -1.28 4.98 0.27 2.28 -7.23 -1.26 -4.30 120.40 113.86 3i26 s VAL 175 Ca 0.10 0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 3i26 s VAL 175 Cb 0.09 -3.74 -0.13 0.00 0.56 0.00 0.00 36.38 33.16 3i26 s VAL 175 CO 0.01 -0.36 1.40 -2.65 -0.31 0.00 0.00 175.10 173.19 3i26 n PRO 176 N -1.02 2.13 -3.92 4.82 -0.02 -1.07 -4.10 135.00 131.82 3i26 n PRO 176 Ca -0.01 0.76 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 3i26 n PRO 176 Cb 0.54 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 3i26 n PRO 176 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3i26 s THR 177 N -0.26 0.03 -0.11 3.45 -1.32 -0.76 -4.94 115.64 111.71 3i26 s THR 177 Ca 0.65 -1.25 -0.09 0.00 -1.21 0.00 0.00 61.69 59.80 3i26 s THR 177 Cb -0.61 -1.94 0.04 0.00 -1.51 0.00 0.00 72.50 68.47 3i26 s THR 177 CO 0.52 -0.12 0.29 -0.55 -2.21 0.00 0.00 174.62 172.55 3i26 s SER 178 N -2.97 -0.32 0.23 8.08 0.15 -1.26 -1.21 113.70 116.41 3i26 s SER 178 Ca 0.18 0.60 0.11 0.00 0.70 0.00 0.00 55.95 57.53 3i26 s SER 178 Cb 0.00 0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 3i26 s SER 178 CO 0.03 -0.13 -0.20 0.68 1.20 0.00 0.00 173.24 174.83 3i26 s VAL 179 N 0.60 2.24 -0.16 4.45 -7.23 -0.67 -4.98 120.40 114.65 3i26 s VAL 179 Ca -0.04 -2.23 -0.05 0.00 -1.81 0.00 0.00 61.98 57.85 3i26 s VAL 179 Cb -0.05 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3i26 s VAL 179 CO -0.04 -0.36 0.02 -1.10 -0.31 0.00 0.00 175.10 173.31 3i26 s GLN 180 N -3.26 3.71 0.10 4.82 -0.21 -1.26 -0.48 119.66 123.09 3i26 s GLN 180 Ca 0.25 -0.41 0.10 0.00 0.02 0.00 0.00 55.36 55.31 3i26 s GLN 180 Cb -0.05 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.88 3i26 s GLN 180 CO 0.11 0.34 -0.25 -0.59 -2.12 0.00 0.00 175.29 172.79 3i26 s PHE 181 N 0.14 2.12 -0.18 0.91 -0.71 0.10 -4.19 117.98 116.18 3i26 s PHE 181 Ca 0.02 -0.39 -0.01 0.00 -1.04 0.00 0.00 56.93 55.51 3i26 s PHE 181 Cb -0.13 -1.18 -0.00 0.00 -1.21 0.00 0.00 43.02 40.51 3i26 s PHE 181 CO 0.02 0.25 -0.13 0.08 -1.34 0.00 0.00 175.22 174.10 3i26 s VAL 182 N -1.03 2.79 -0.43 -2.49 1.01 -1.26 -0.88 120.40 118.10 3i26 s VAL 182 Ca 0.11 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 3i26 s VAL 182 Cb -0.10 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3i26 s VAL 182 CO 0.05 0.49 0.53 -0.76 0.00 0.00 0.00 175.10 175.41 3i26 s LEU 183 N 1.09 4.73 0.71 3.92 1.43 -0.14 -4.62 118.68 125.80 3i26 s LEU 183 Ca 0.00 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 3i26 s LEU 183 Cb -0.14 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.58 3i26 s LEU 183 CO -0.04 -0.67 1.10 -2.16 0.23 0.00 0.00 176.35 174.81 3i26 s PRO 184 N 2.43 2.56 0.00 1.29 0.04 -1.26 0.01 135.00 140.06 3i26 s PRO 184 Ca 0.16 1.29 0.29 0.00 0.04 0.00 0.00 61.00 62.79 3i26 s PRO 184 Cb -0.16 -1.93 1.29 0.00 0.04 0.00 0.00 34.50 33.75 3i26 s PRO 184 CO 0.16 -1.43 1.92 0.41 0.04 0.00 0.00 177.00 178.10 3i26 n GLY 185 N -0.83 -1.22 3.46 0.56 0.00 -1.26 -4.68 105.19 101.23 3i26 n GLY 185 Ca 0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3i26 n GLY 185 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i26 s SER 186 N -2.66 -0.51 -0.16 1.61 1.04 -1.26 -0.86 113.70 110.90 3i26 s SER 186 Ca 0.24 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 3i26 s SER 186 Cb 0.20 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.96 3i26 s SER 186 CO 0.50 -0.94 0.13 -0.55 0.98 0.00 0.00 173.24 173.36 3i26 s SER 187 N -2.72 1.83 1.45 7.02 0.15 0.27 -4.86 113.70 116.84 3i26 s SER 187 Ca 0.02 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.31 3i26 s SER 187 Cb -0.01 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 3i26 s SER 187 CO -0.11 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.61 3i26 n GLY 188 N 5.30 3.34 0.52 9.45 0.00 -1.26 -1.75 105.19 120.79 3i26 n GLY 188 Ca -0.06 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3i26 n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i26 n THR 189 N 0.00 0.13 -3.07 2.61 -2.24 -1.26 -4.83 114.28 105.62 3i26 n THR 189 Ca 0.00 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.07 3i26 n THR 189 Cb 0.00 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 3i26 n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i26 s THR 190 N -1.87 5.00 0.19 4.28 2.01 -0.71 -5.05 115.64 119.48 3i26 s THR 190 Ca 0.35 1.29 -0.30 0.00 0.31 0.00 0.00 61.69 63.34 3i26 s THR 190 Cb 0.19 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.63 3i26 s THR 190 CO 0.29 0.11 0.93 -0.63 -0.69 0.00 0.00 174.62 174.64 3i26 s ILE 191 N 1.81 4.26 -0.60 1.82 -1.09 -1.26 -0.57 121.20 125.57 3i26 s ILE 191 Ca 0.31 2.04 -0.06 0.00 -2.23 0.00 0.00 60.65 60.71 3i26 s ILE 191 Cb -0.16 -4.31 0.15 0.00 -1.58 0.00 0.00 42.46 36.57 3i26 s ILE 191 CO 0.11 0.44 0.44 0.00 -1.23 0.00 0.00 174.94 174.70 3i26 h THR 193 N 5.53 0.00 -3.09 0.00 1.35 -1.20 -3.42 112.91 112.09 3i26 h THR 193 Ca -0.06 -0.51 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 3i26 h THR 193 Cb 1.01 1.35 -0.07 0.00 -1.73 0.00 0.00 68.15 68.71 3i26 h THR 193 CO 0.75 0.00 0.17 -1.59 -0.25 0.00 0.00 175.52 174.61 3i26 s LYS 194 N -3.13 1.62 -0.02 4.72 -2.85 -0.90 -4.43 119.74 114.75 3i26 s LYS 194 Ca 0.09 -0.90 0.02 0.00 -1.00 0.00 0.00 55.97 54.18 3i26 s LYS 194 Cb 0.12 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.48 3i26 s LYS 194 CO 0.65 -0.73 -0.06 -1.01 0.10 0.00 0.00 175.35 174.31 3i26 s HIS 195 N -3.89 0.61 -0.26 1.78 3.76 0.11 -1.76 115.29 115.65 3i26 s HIS 195 Ca 0.10 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.71 3i26 s HIS 195 Cb -0.04 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 3i26 s HIS 195 CO 0.02 -0.06 0.47 -1.17 -0.85 0.00 0.00 174.74 173.15 3i26 s LEU 196 N 0.19 4.06 -0.04 0.89 0.20 -0.54 -0.71 118.68 122.72 3i26 s LEU 196 Ca -0.02 0.47 0.01 0.00 0.69 0.00 0.00 54.13 55.28 3i26 s LEU 196 Cb -0.06 -2.60 0.02 0.00 -0.43 0.00 0.00 46.19 43.12 3i26 s LEU 196 CO -0.00 -0.24 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.08 3i26 s VAL 197 N 2.15 0.51 0.22 1.68 1.01 -0.09 -1.86 120.40 124.01 3i26 s VAL 197 Ca 0.20 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 3i26 s VAL 197 Cb -0.16 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 3i26 s VAL 197 CO 0.09 0.22 0.86 -2.16 0.00 0.00 0.00 175.10 174.11 3i26 s PRO 198 N 0.93 4.66 -0.17 2.72 0.04 -1.26 -0.40 135.00 141.52 3i26 s PRO 198 Ca -0.11 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.23 3i26 s PRO 198 Cb -0.14 -3.19 0.02 0.00 0.04 0.00 0.00 34.50 31.23 3i26 s PRO 198 CO -0.00 0.51 -0.17 0.12 0.04 0.00 0.00 177.00 177.50 3i26 s PHE 199 N -1.24 2.56 0.15 0.56 5.36 0.27 -4.64 117.98 121.01 3i26 s PHE 199 Ca 0.40 -1.53 0.03 0.00 -0.96 0.00 0.00 56.93 54.86 3i26 s PHE 199 Cb -0.23 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.62 3i26 s PHE 199 CO 0.28 -0.76 -0.05 0.00 -1.46 0.00 0.00 175.22 173.23 3i26 s TYR 201 N -3.53 -0.29 -0.36 0.00 -0.85 -0.30 -4.95 117.35 107.07 3i26 s TYR 201 Ca 0.19 0.08 -0.12 0.00 -0.52 0.00 0.00 57.07 56.70 3i26 s TYR 201 Cb 0.05 0.58 0.01 0.00 0.38 0.00 0.00 41.96 42.98 3i26 s TYR 201 CO 0.01 -0.69 0.22 -0.51 -1.52 0.00 0.00 175.55 173.06 3i26 s LEU 202 N -2.67 4.62 0.00 -3.49 1.43 -1.26 -1.09 118.68 116.21 3i26 s LEU 202 Ca 0.07 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3i26 s LEU 202 Cb -0.01 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.19 3i26 s LEU 202 CO -0.05 -0.33 0.31 -0.46 0.23 0.00 0.00 176.35 176.05 3i26 n ASN 203 N 5.04 0.36 -2.56 2.29 6.94 -0.61 -4.81 115.26 121.91 3i26 n ASN 203 Ca -0.12 -1.32 -0.09 0.00 -0.02 0.00 0.00 54.58 53.03 3i26 n ASN 203 Cb 0.47 -0.21 0.04 0.00 -2.36 0.00 0.00 39.78 37.73 3i26 n ASN 203 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i26 n HIS 204 N -1.91 -1.49 -3.09 -2.53 8.25 -1.26 -3.97 115.22 109.22 3i26 n HIS 204 Ca 0.05 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 3i26 n HIS 204 Cb 0.18 -3.51 0.00 0.00 1.12 0.00 0.00 29.99 27.78 3i26 n HIS 204 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i26 n GLY 205 N -1.33 -2.12 3.73 -1.41 0.00 -1.26 -4.71 105.19 98.09 3i26 n GLY 205 Ca -0.05 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 3i26 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i26 s PHE 207 N -1.87 2.72 -0.41 0.00 5.36 0.49 -4.78 117.98 119.50 3i26 s PHE 207 Ca 0.76 -1.35 -0.27 0.00 -0.96 0.00 0.00 56.93 55.10 3i26 s PHE 207 Cb -0.30 -1.86 0.02 0.00 -0.34 0.00 0.00 43.02 40.54 3i26 s PHE 207 CO 0.43 -0.63 1.02 0.99 -1.46 0.00 0.00 175.22 175.57 3i26 s THR 208 N 0.93 4.43 -0.04 0.12 2.01 -1.26 -0.65 115.64 121.18 3i26 s THR 208 Ca -0.04 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 3i26 s THR 208 Cb -0.15 -4.46 0.07 0.00 0.01 0.00 0.00 72.50 67.98 3i26 s THR 208 CO -0.04 -0.74 0.68 0.28 -0.69 0.00 0.00 174.62 174.12 3i26 s THR 209 N 3.88 0.00 -0.75 -0.82 -1.32 -0.66 -4.90 115.64 111.07 3i26 s THR 209 Ca 0.42 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 3i26 s THR 209 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 3i26 s THR 209 CO 0.24 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 3i26 n GLY 210 N 0.82 0.85 1.07 6.08 0.00 -1.26 -3.36 105.19 109.39 3i26 n GLY 210 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i26 n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i26 n GLY 211 N -1.15 0.73 3.35 -0.02 0.00 -1.26 -5.06 105.19 101.78 3i26 n GLY 211 Ca -0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3i26 n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i26 s SER 212 N -2.04 -0.04 -0.48 1.61 1.04 -1.21 -5.12 113.70 107.46 3i26 s SER 212 Ca 0.00 -0.70 -0.24 0.00 0.48 0.00 0.00 55.95 55.49 3i26 s SER 212 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 3i26 s SER 212 CO 0.00 -0.90 0.87 0.00 0.98 0.00 0.00 173.24 174.19 3i26 s LEU 214 N 3.60 4.36 0.35 0.00 1.43 0.18 -4.71 118.68 123.89 3i26 s LEU 214 Ca 0.32 0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 3i26 s LEU 214 Cb -0.12 -2.81 -0.12 0.00 0.03 0.00 0.00 46.19 43.18 3i26 s LEU 214 CO 0.23 0.21 1.46 -2.65 0.23 0.00 0.00 176.35 175.83 3i26 n PRO 215 N 0.59 2.53 -3.55 1.29 -0.02 -1.26 -0.38 135.00 134.20 3i26 n PRO 215 Ca -0.08 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 3i26 n PRO 215 Cb 0.52 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 3i26 n PRO 215 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i26 s PHE 216 N -0.89 3.30 -0.18 6.00 5.36 -0.29 -4.83 117.98 126.45 3i26 s PHE 216 Ca 0.56 -1.32 -0.04 0.00 -0.96 0.00 0.00 56.93 55.17 3i26 s PHE 216 Cb -0.51 -2.93 0.08 0.00 -0.34 0.00 0.00 43.02 39.32 3i26 s PHE 216 CO 0.61 -0.81 0.18 0.20 -1.46 0.00 0.00 175.22 173.93 3i26 s GLY 217 N 2.15 0.11 0.07 13.12 0.00 -1.26 -1.51 107.32 119.99 3i26 s GLY 217 Ca 0.03 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.92 3i26 s GLY 217 CO 0.04 1.96 -0.07 -1.34 0.00 0.00 0.00 173.10 173.69 3i26 s VAL 218 N 2.27 0.63 0.03 1.40 -7.23 -0.45 -1.59 120.40 115.46 3i26 s VAL 218 Ca 0.05 -1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 58.48 3i26 s VAL 218 Cb -0.15 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 35.73 3i26 s VAL 218 CO -0.10 -0.60 0.60 -0.94 -0.31 0.00 0.00 175.10 173.74 3i26 s SER 219 N -2.26 -0.55 -0.19 4.85 1.04 -0.38 -1.05 113.70 115.17 3i26 s SER 219 Ca 0.00 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.74 3i26 s SER 219 Cb -0.03 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3i26 s SER 219 CO -0.02 -0.72 0.00 -0.31 0.98 0.00 0.00 173.24 173.18 3i26 s TYR 220 N -2.16 3.06 0.03 5.02 2.02 0.14 -0.30 117.35 125.16 3i26 s TYR 220 Ca -0.07 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3i26 s TYR 220 Cb -0.01 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.46 3i26 s TYR 220 CO 0.01 -0.17 -0.04 0.14 -1.57 0.00 0.00 175.55 173.92 3i26 s VAL 221 N 0.85 0.24 0.29 0.71 -7.23 0.03 -1.56 120.40 113.73 3i26 s VAL 221 Ca 0.01 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3i26 s VAL 221 Cb -0.14 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.44 3i26 s VAL 221 CO 0.02 -0.45 0.39 -1.54 -0.31 0.00 0.00 175.10 173.21 3i26 n SER 222 N 1.61 -1.07 0.04 4.85 3.41 -0.43 -0.45 113.62 121.58 3i26 n SER 222 Ca -0.23 -2.63 0.21 0.00 -0.26 0.00 0.00 58.87 55.96 3i26 n SER 222 Cb 0.55 2.05 0.73 0.00 -0.26 0.00 0.00 64.21 67.28 3i26 n SER 222 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3i26 h ASP 223 N 1.67 0.00 0.00 4.04 3.32 -2.02 -2.83 116.42 120.61 3i26 h ASP 223 Ca -0.22 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 3i26 h ASP 223 Cb 1.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.32 3i26 h ASP 223 CO 0.31 0.00 -0.81 -1.54 -1.72 0.00 0.00 179.24 175.48 3i26 n SER 224 N -4.02 1.25 -3.79 6.45 3.41 -1.26 -5.05 113.62 110.62 3i26 n SER 224 Ca 0.09 -2.72 -0.13 0.00 -0.26 0.00 0.00 58.87 55.85 3i26 n SER 224 Cb 0.62 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 64.07 3i26 n SER 224 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3i26 s PHE 225 N -1.24 -0.27 -0.10 7.33 5.36 -1.07 -5.11 117.98 122.88 3i26 s PHE 225 Ca 0.34 0.67 -0.05 0.00 -0.96 0.00 0.00 56.93 56.93 3i26 s PHE 225 Cb 0.37 0.09 0.05 0.00 -0.34 0.00 0.00 43.02 43.19 3i26 s PHE 225 CO -0.12 -0.13 0.24 -0.47 -1.46 0.00 0.00 175.22 173.27 3i26 s TYR 226 N 0.17 -0.32 -0.11 10.12 5.04 -1.26 -1.31 117.35 129.67 3i26 s TYR 226 Ca -0.00 0.78 -0.07 0.00 -2.44 0.00 0.00 57.07 55.34 3i26 s TYR 226 Cb -0.02 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.38 3i26 s TYR 226 CO 0.00 -0.23 0.28 -0.47 -1.34 0.00 0.00 175.55 173.79 3i26 s TYR 227 N 1.25 -0.36 0.26 4.97 5.04 -0.60 -5.03 117.35 122.88 3i26 s TYR 227 Ca -0.09 0.85 -0.15 0.00 -2.44 0.00 0.00 57.07 55.24 3i26 s TYR 227 Cb -0.10 0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.30 3i26 s TYR 227 CO -0.08 -0.23 0.54 0.20 -1.34 0.00 0.00 175.55 174.64 3i26 s GLY 228 N 1.05 0.40 -0.02 8.97 0.00 -1.26 -0.68 107.32 115.77 3i26 s GLY 228 Ca -0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 3i26 s GLY 228 CO -0.07 -0.49 0.06 -0.47 0.00 0.00 0.00 173.10 172.12 3i26 s TYR 229 N -3.94 -0.06 -0.13 1.90 5.04 -0.21 -5.01 117.35 114.94 3i26 s TYR 229 Ca 0.20 0.15 -0.06 0.00 -2.44 0.00 0.00 57.07 54.91 3i26 s TYR 229 Cb -0.02 0.02 0.05 0.00 0.35 0.00 0.00 41.96 42.36 3i26 s TYR 229 CO 0.09 -0.03 0.31 -0.47 -1.34 0.00 0.00 175.55 174.10 3i26 s TYR 230 N 0.01 -0.45 -0.19 4.97 5.04 -1.26 -1.34 117.35 124.14 3i26 s TYR 230 Ca -0.00 1.00 -0.08 0.00 -2.44 0.00 0.00 57.07 55.54 3i26 s TYR 230 Cb -0.01 0.12 0.08 0.00 0.35 0.00 0.00 41.96 42.50 3i26 s TYR 230 CO 0.00 -0.29 0.42 0.34 -1.34 0.00 0.00 175.55 174.67 3i26 s ASP 231 N 1.51 -0.37 -0.13 4.32 -1.08 -0.57 -5.00 116.67 115.36 3i26 s ASP 231 Ca -0.08 0.95 0.16 0.00 -0.52 0.00 0.00 52.55 53.06 3i26 s ASP 231 Cb -0.10 1.07 0.28 0.00 -1.46 0.00 0.00 42.92 42.72 3i26 s ASP 231 CO -0.10 -0.21 1.15 0.00 0.52 0.00 0.00 175.17 176.52 3i26 n ALA 232 N 4.87 2.44 -1.84 3.66 0.00 -1.26 -1.14 120.51 127.22 3i26 n ALA 232 Ca -0.15 -2.58 -0.42 0.00 0.00 0.00 0.00 53.44 50.29 3i26 n ALA 232 Cb 0.52 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3i26 n ALA 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i26 s THR 233 N -2.63 2.69 0.65 0.00 2.01 -1.26 -4.45 115.64 112.65 3i26 s THR 233 Ca 0.30 0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.42 3i26 s THR 233 Cb 0.27 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 3i26 s THR 233 CO 0.01 0.01 1.23 -2.84 -0.69 0.00 0.00 174.62 172.34 3i26 s PRO 234 N 2.20 2.61 0.31 4.92 0.02 -1.26 -1.34 135.00 142.46 3i26 s PRO 234 Ca 0.75 1.87 -0.18 0.00 0.02 0.00 0.00 61.00 63.46 3i26 s PRO 234 Cb -0.44 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 3i26 s PRO 234 CO 0.33 -1.50 0.78 -0.65 -0.33 0.00 0.00 177.00 175.64 3i26 s GLN 235 N -3.52 4.17 -0.22 5.54 -1.52 -1.26 -4.89 119.66 117.97 3i26 s GLN 235 Ca 0.78 0.87 -0.10 0.00 -1.95 0.00 0.00 55.36 54.95 3i26 s GLN 235 Cb -0.32 -2.58 -0.05 0.00 -0.22 0.00 0.00 33.01 29.85 3i26 s GLN 235 CO 0.39 0.22 0.14 0.42 -0.25 0.00 0.00 175.29 176.20 3i26 s ILE 236 N -1.83 5.31 0.00 1.08 1.01 -1.26 -4.99 121.20 120.53 3i26 s ILE 236 Ca 0.51 0.16 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3i26 s ILE 236 Cb -0.13 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.89 3i26 s ILE 236 CO 0.19 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3i26 n GLY 237 N 3.95 2.48 1.83 6.18 0.00 -1.26 -2.06 105.19 116.32 3i26 n GLY 237 Ca -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.70 3i26 n GLY 237 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i26 n SER 238 N 0.97 5.00 -0.51 1.61 7.64 -1.26 -4.62 113.62 122.45 3i26 n SER 238 Ca 0.00 -2.96 0.09 0.00 1.01 0.00 0.00 58.87 57.01 3i26 n SER 238 Cb 0.00 -0.70 0.31 0.00 -1.01 0.00 0.00 64.21 62.82 3i26 n SER 238 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i26 n THR 239 N 0.27 0.26 -1.70 0.44 -2.24 -0.87 -4.94 114.28 105.50 3i26 n THR 239 Ca 0.31 -0.34 -0.56 0.00 -2.27 0.00 0.00 64.05 61.19 3i26 n THR 239 Cb 1.20 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 3i26 n THR 239 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i26 n GLU 240 N 0.24 1.28 -3.81 -0.78 2.13 -1.26 -4.96 120.64 113.48 3i26 n GLU 240 Ca 0.14 0.47 -0.12 0.00 0.66 0.00 0.00 57.16 58.30 3i26 n GLU 240 Cb 0.28 -2.17 -0.12 0.00 0.27 0.00 0.00 31.44 29.70 3i26 n GLU 240 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i26 s SER 241 N 3.31 -0.18 0.03 4.31 0.15 -1.26 -5.17 113.70 114.89 3i26 s SER 241 Ca 0.96 0.33 0.02 0.00 0.70 0.00 0.00 55.95 57.97 3i26 s SER 241 Cb -1.01 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 63.64 3i26 s SER 241 CO 0.62 -0.08 -0.07 -1.00 1.20 0.00 0.00 173.24 173.91 3i26 s HIS 242 N 0.01 0.64 0.01 3.44 3.76 -1.26 -4.59 115.29 117.30 3i26 s HIS 242 Ca -0.01 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 3i26 s HIS 242 Cb -0.02 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 3i26 s HIS 242 CO 0.00 -0.06 -0.06 -0.51 -0.85 0.00 0.00 174.74 173.26 3i26 s ASP 243 N -1.20 4.64 -0.33 1.40 1.11 -1.25 -0.82 116.67 120.22 3i26 s ASP 243 Ca -0.07 -0.15 -0.28 0.00 0.18 0.00 0.00 52.55 52.24 3i26 s ASP 243 Cb -0.08 -1.08 0.01 0.00 1.07 0.00 0.00 42.92 42.84 3i26 s ASP 243 CO 0.00 0.28 1.02 -0.47 1.18 0.00 0.00 175.17 177.18 3i26 s TYR 244 N -1.01 3.14 0.04 4.23 5.04 -1.26 -1.57 117.35 125.96 3i26 s TYR 244 Ca 0.17 1.08 0.07 0.00 -2.44 0.00 0.00 57.07 55.95 3i26 s TYR 244 Cb -0.11 -3.63 -0.02 0.00 0.35 0.00 0.00 41.96 38.54 3i26 s TYR 244 CO 0.08 -0.76 -0.20 0.08 -1.34 0.00 0.00 175.55 173.41 3i26 s VAL 245 N 3.55 1.62 0.04 3.14 1.01 -0.25 -4.91 120.40 124.59 3i26 s VAL 245 Ca 0.43 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3i26 s VAL 245 Cb -0.12 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3i26 s VAL 245 CO 0.16 0.19 -0.12 0.00 0.00 0.00 0.00 175.10 175.32 3i26 s ASP 247 N -1.13 3.52 -0.37 0.00 1.01 0.16 -4.96 116.67 114.89 3i26 s ASP 247 Ca -0.00 -0.43 -0.12 0.00 0.71 0.00 0.00 52.55 52.70 3i26 s ASP 247 Cb -0.08 -0.51 0.02 0.00 1.01 0.00 0.00 42.92 43.36 3i26 s ASP 247 CO 0.01 0.29 0.22 -0.31 0.21 0.00 0.00 175.17 175.59 3i26 s TYR 248 N -0.79 3.23 0.02 4.23 1.51 -1.26 -0.56 117.35 123.73 3i26 s TYR 248 Ca 0.12 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 3i26 s TYR 248 Cb -0.10 -2.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 3i26 s TYR 248 CO 0.02 -0.60 0.08 -0.51 -1.11 0.00 0.00 175.55 173.43 3i26 s LEU 249 N 1.60 3.85 -0.28 -1.29 1.43 0.47 -4.88 118.68 119.58 3i26 s LEU 249 Ca 0.03 0.10 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 3i26 s LEU 249 Cb -0.19 -2.32 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 3i26 s LEU 249 CO 0.07 0.25 0.78 0.12 0.23 0.00 0.00 176.35 177.80 3i26 s PHE 250 N -1.24 3.24 -0.05 0.29 5.36 -1.26 -0.92 117.98 123.41 3i26 s PHE 250 Ca 0.24 0.90 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 3i26 s PHE 250 Cb -0.12 -3.11 0.01 0.00 -0.34 0.00 0.00 43.02 39.46 3i26 s PHE 250 CO 0.16 -0.48 -0.09 -1.64 -1.46 0.00 0.00 175.22 171.71 3i26 s MET 251 N 2.86 1.19 0.63 10.12 -1.94 0.11 -4.98 119.30 127.29 3i26 s MET 251 Ca 0.32 -0.28 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 3i26 s MET 251 Cb -0.15 -1.06 -0.02 0.00 2.01 0.00 0.00 34.83 35.61 3i26 s MET 251 CO 0.10 0.02 1.07 -1.21 -0.01 0.00 0.00 175.02 175.00 3i26 s GLU 252 N 0.60 3.06 0.67 2.03 2.02 -1.26 0.09 118.70 125.91 3i26 s GLU 252 Ca -0.10 1.23 -0.18 0.00 0.02 0.00 0.00 54.97 55.94 3i26 s GLU 252 Cb -0.13 -2.00 -0.00 0.00 0.10 0.00 0.00 34.13 32.10 3i26 s GLU 252 CO 0.02 -1.02 1.28 -0.35 0.02 0.00 0.00 175.26 175.21 3i26 n PRO 253 N -2.36 1.01 -0.61 0.39 -0.04 -1.26 -4.82 135.00 127.32 3i26 n PRO 253 Ca 0.09 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 3i26 n PRO 253 Cb 0.53 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3i26 n PRO 253 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i26 n GLY 254 N 0.89 0.65 3.71 0.55 0.00 0.10 -4.97 105.19 106.12 3i26 n GLY 254 Ca 0.16 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3i26 n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i26 s THR 255 N -2.22 4.86 0.15 2.61 2.01 -1.26 -0.97 115.64 120.82 3i26 s THR 255 Ca 0.00 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.02 3i26 s THR 255 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 3i26 s THR 255 CO 0.00 0.54 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.08 3i26 s TYR 256 N -0.32 1.23 -0.14 4.92 2.02 -0.06 -4.84 117.35 120.16 3i26 s TYR 256 Ca 0.09 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 55.93 3i26 s TYR 256 Cb -0.12 -0.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3i26 s TYR 256 CO 0.02 0.02 0.03 -0.80 -1.57 0.00 0.00 175.55 173.25 3i26 s ASN 257 N -3.16 5.43 -0.47 2.29 -0.87 0.40 -0.72 114.94 117.84 3i26 s ASN 257 Ca 0.17 0.10 -0.21 0.00 -1.57 0.00 0.00 52.86 51.35 3i26 s ASN 257 Cb 0.03 -1.80 0.03 0.00 -0.02 0.00 0.00 41.25 39.50 3i26 s ASN 257 CO 0.00 0.25 0.68 0.00 -2.57 0.00 0.00 177.10 175.47 3i26 s ALA 258 N -0.11 3.33 0.23 0.60 0.00 0.37 -0.79 121.76 125.39 3i26 s ALA 258 Ca 0.06 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.74 3i26 s ALA 258 Cb -0.12 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3i26 s ALA 258 CO 0.02 -1.93 0.19 -1.12 0.00 0.00 0.00 175.76 172.92 3i26 s SER 259 N 2.29 5.58 -0.04 0.00 0.01 0.59 -1.67 113.70 120.45 3i26 s SER 259 Ca 0.22 -0.20 -0.09 0.00 1.31 0.00 0.00 55.95 57.19 3i26 s SER 259 Cb -0.15 -1.44 0.01 0.00 0.21 0.00 0.00 66.02 64.65 3i26 s SER 259 CO 0.17 -0.01 0.21 0.28 0.41 0.00 0.00 173.24 174.30 3i26 s THR 260 N -2.03 0.04 -0.52 1.44 -1.32 -0.35 -1.25 115.64 111.66 3i26 s THR 260 Ca 0.32 -0.33 0.25 0.00 -1.21 0.00 0.00 61.69 60.73 3i26 s THR 260 Cb -0.08 -0.41 0.28 0.00 -1.51 0.00 0.00 72.50 70.77 3i26 s THR 260 CO 0.25 -0.18 1.75 -0.37 -2.21 0.00 0.00 174.62 173.86 3i26 h VAL 261 N 4.44 0.00 0.00 5.08 -1.51 -1.58 -2.03 116.25 120.65 3i26 h VAL 261 Ca -0.28 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 3i26 h VAL 261 Cb 1.19 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3i26 h VAL 261 CO 0.39 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 3i26 n GLY 262 N 0.49 4.09 5.00 5.19 0.00 -1.26 -2.59 105.19 116.11 3i26 n GLY 262 Ca 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3i26 n GLY 262 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i26 n LYS 263 N -1.63 0.00 -3.17 1.61 3.00 -1.17 -4.80 118.16 112.00 3i26 n LYS 263 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 3i26 n LYS 263 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 3i26 n LYS 263 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3i26 s PHE 264 N 0.00 3.44 -0.11 5.64 0.40 -1.26 0.26 117.98 126.35 3i26 s PHE 264 Ca 0.00 0.94 0.03 0.00 -0.60 0.00 0.00 56.93 57.31 3i26 s PHE 264 Cb 0.00 -2.72 -0.00 0.00 0.51 0.00 0.00 43.02 40.81 3i26 s PHE 264 CO 0.00 -0.04 -0.22 -1.17 0.70 0.00 0.00 175.22 174.48 3i26 s LEU 265 N 1.40 2.17 -0.11 -0.37 2.96 -0.08 -4.73 118.68 119.92 3i26 s LEU 265 Ca 0.29 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3i26 s LEU 265 Cb -0.16 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.11 3i26 s LEU 265 CO 0.11 0.16 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.50 3i26 s VAL 266 N 0.35 1.26 -0.03 1.68 1.01 -1.26 -1.35 120.40 122.07 3i26 s VAL 266 Ca -0.18 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3i26 s VAL 266 Cb -0.18 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3i26 s VAL 266 CO 0.08 0.40 0.24 -0.72 0.00 0.00 0.00 175.10 175.10 3i26 s TYR 267 N 1.27 -0.12 0.38 5.22 -0.85 -0.88 -4.72 117.35 117.65 3i26 s TYR 267 Ca -0.02 0.22 -0.24 0.00 -0.52 0.00 0.00 57.07 56.51 3i26 s TYR 267 Cb -0.14 0.04 -0.10 0.00 0.38 0.00 0.00 41.96 42.14 3i26 s TYR 267 CO -0.04 -0.30 0.96 -1.25 -1.52 0.00 0.00 175.55 173.40 3i26 s PRO 268 N -1.02 4.37 0.00 -3.49 0.04 -1.26 0.75 135.00 134.39 3i26 s PRO 268 Ca -0.11 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3i26 s PRO 268 Cb -0.05 -2.49 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 3i26 s PRO 268 CO 0.02 0.09 0.10 0.25 0.04 0.00 0.00 177.00 177.51 3i26 n THR 269 N -0.05 0.00 -3.77 1.26 -2.24 -1.26 -4.83 114.28 103.38 3i26 n THR 269 Ca 0.05 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 3i26 n THR 269 Cb 0.52 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 3i26 n THR 269 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i26 s LYS 270 N -0.81 0.76 0.11 -0.78 1.02 -1.26 -0.24 119.74 118.55 3i26 s LYS 270 Ca 0.00 -0.48 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 3i26 s LYS 270 Cb 0.00 0.33 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 3i26 s LYS 270 CO 0.00 -0.23 0.28 -1.54 -0.92 0.00 0.00 175.35 172.94 3i26 s SER 271 N -1.94 -0.00 -0.43 2.83 1.04 -0.76 -4.73 113.70 109.70 3i26 s SER 271 Ca -0.06 -0.59 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 3i26 s SER 271 Cb -0.02 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.53 3i26 s SER 271 CO -0.02 -0.80 0.63 -0.31 0.98 0.00 0.00 173.24 173.71 3i26 s TYR 272 N -3.86 3.08 -0.02 5.02 1.51 -0.78 -0.44 117.35 121.86 3i26 s TYR 272 Ca 0.06 -0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 55.78 3i26 s TYR 272 Cb 0.04 -3.30 -0.03 0.00 -0.11 0.00 0.00 41.96 38.55 3i26 s TYR 272 CO -0.09 -0.84 1.12 0.00 -1.11 0.00 0.00 175.55 174.63 3i26 s MET 274 N 1.62 0.70 0.00 0.00 -1.94 -0.72 -0.56 119.30 118.40 3i26 s MET 274 Ca 0.54 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 3i26 s MET 274 Cb -0.24 -0.62 0.00 0.00 2.01 0.00 0.00 34.83 35.98 3i26 s MET 274 CO 0.24 0.14 0.00 -0.40 -0.01 0.00 0.00 175.02 174.99 3i26 n ASP 275 N 1.61 0.00 -4.20 3.03 5.68 -1.09 -0.78 116.55 120.81 3i26 n ASP 275 Ca -0.20 -0.74 -0.29 0.00 -0.50 0.00 0.00 54.79 53.06 3i26 n ASP 275 Cb 0.55 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.36 3i26 n ASP 275 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i26 s THR 276 N 0.87 1.73 0.14 2.12 2.01 -1.26 -4.14 115.64 117.11 3i26 s THR 276 Ca 0.00 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.22 3i26 s THR 276 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 3i26 s THR 276 CO 0.00 0.49 -0.25 0.00 -0.69 0.00 0.00 174.62 174.17 3i26 s MET 277 N -0.05 1.37 0.00 4.92 0.23 -0.48 -4.66 119.30 120.62 3i26 s MET 277 Ca -0.04 -1.36 0.29 0.00 -1.03 0.00 0.00 55.69 53.55 3i26 s MET 277 Cb -0.13 -1.77 1.20 0.00 -1.53 0.00 0.00 34.83 32.60 3i26 s MET 277 CO 0.03 0.41 1.83 0.27 -2.03 0.00 0.00 175.02 175.52 3i26 n ASN 278 N 0.77 1.02 -4.38 -1.18 0.23 -1.26 -4.65 115.26 105.81 3i26 n ASN 278 Ca -0.17 -1.21 -0.31 0.00 -0.53 0.00 0.00 54.58 52.36 3i26 n ASN 278 Cb 0.54 0.01 -0.14 0.00 -2.08 0.00 0.00 39.78 38.10 3i26 n ASN 278 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3i26 s ILE 279 N -2.13 2.45 -0.05 1.53 -4.36 -1.26 -5.12 121.20 112.27 3i26 s ILE 279 Ca 0.37 -1.08 -0.20 0.00 -0.26 0.00 0.00 60.65 59.49 3i26 s ILE 279 Cb 0.21 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.94 3i26 s ILE 279 CO 0.38 0.50 0.55 -0.89 0.24 0.00 0.00 174.94 175.73 3i26 s THR 280 N -0.73 5.02 -0.06 8.37 2.01 -1.26 -4.71 115.64 124.27 3i26 s THR 280 Ca 0.11 1.14 -0.01 0.00 0.31 0.00 0.00 61.69 63.25 3i26 s THR 280 Cb -0.10 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.55 3i26 s THR 280 CO 0.01 0.38 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.63 3i26 s VAL 281 N 0.10 0.39 0.59 3.82 1.01 -0.77 -5.04 120.40 120.49 3i26 s VAL 281 Ca 0.29 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3i26 s VAL 281 Cb -0.17 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3i26 s VAL 281 CO 0.15 0.25 1.32 -2.16 0.00 0.00 0.00 175.10 174.66 3i26 s PRO 282 N 1.76 2.86 0.72 2.72 0.04 -1.26 -4.34 135.00 137.50 3i26 s PRO 282 Ca 0.02 2.14 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 3i26 s PRO 282 Cb -0.13 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.45 3i26 s PRO 282 CO -0.04 -1.38 1.02 0.14 0.04 0.00 0.00 177.00 176.77 3i26 s VAL 283 N -1.35 2.26 -0.07 -0.36 -7.23 -0.70 -4.68 120.40 108.27 3i26 s VAL 283 Ca 0.77 -0.35 0.03 0.00 -1.81 0.00 0.00 61.98 60.62 3i26 s VAL 283 Cb -0.39 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.64 3i26 s VAL 283 CO 0.43 0.00 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.96 3i26 s GLN 284 N -5.25 2.11 -0.04 4.82 -0.21 -0.31 -0.79 119.66 119.99 3i26 s GLN 284 Ca 0.63 -0.58 0.04 0.00 0.02 0.00 0.00 55.36 55.46 3i26 s GLN 284 Cb -0.09 -1.69 -0.00 0.00 1.00 0.00 0.00 33.01 32.23 3i26 s GLN 284 CO 0.45 0.11 -0.14 0.00 -2.12 0.00 0.00 175.29 173.59 3i26 s ALA 285 N 0.46 1.28 -0.14 6.09 0.00 0.02 -0.55 121.76 128.92 3i26 s ALA 285 Ca -0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 3i26 s ALA 285 Cb -0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 3i26 s ALA 285 CO 0.05 0.22 0.00 0.08 0.00 0.00 0.00 175.76 176.12 3i26 s VAL 286 N 0.11 4.29 0.09 0.00 1.01 -0.49 -0.53 120.40 124.89 3i26 s VAL 286 Ca -0.04 -0.23 -0.35 0.00 0.00 0.00 0.00 61.98 61.36 3i26 s VAL 286 Cb -0.11 -2.86 -0.15 0.00 0.00 0.00 0.00 36.38 33.26 3i26 s VAL 286 CO 0.02 0.53 1.50 1.67 0.00 0.00 0.00 175.10 178.81 3i26 n GLN 287 N 3.00 1.67 -3.95 2.72 -0.06 -0.78 -4.64 117.38 115.34 3i26 n GLN 287 Ca -0.18 0.60 -0.31 0.00 -2.00 0.00 0.00 57.00 55.12 3i26 n GLN 287 Cb 0.53 -2.32 -0.15 0.00 -4.06 0.00 0.00 30.24 24.24 3i26 n GLN 287 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i26 s SER 288 N 1.05 4.55 0.23 1.69 0.15 -1.26 -4.84 113.70 115.26 3i26 s SER 288 Ca 0.83 -1.98 0.01 0.00 0.70 0.00 0.00 55.95 55.50 3i26 s SER 288 Cb -0.82 -1.42 -0.05 0.00 -1.71 0.00 0.00 66.02 62.02 3i26 s SER 288 CO 0.44 -0.38 0.08 0.27 1.20 0.00 0.00 173.24 174.85 3i26 s ILE 289 N 1.10 0.46 0.54 6.45 -4.36 -1.26 -3.96 121.20 120.17 3i26 s ILE 289 Ca 0.10 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.47 3i26 s ILE 289 Cb -0.19 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.04 3i26 s ILE 289 CO -0.12 -0.10 0.80 0.26 0.24 0.00 0.00 174.94 176.02 3i26 s TRP 290 N -3.82 3.16 1.07 1.37 0.52 -1.26 -4.96 118.94 115.01 3i26 s TRP 290 Ca 0.35 0.38 -0.13 0.00 0.02 0.00 0.00 56.10 56.71 3i26 s TRP 290 Cb 0.07 -2.61 0.17 0.00 -1.15 0.00 0.00 33.47 29.95 3i26 s TRP 290 CO 0.11 -0.70 0.71 -1.13 0.02 0.00 0.00 176.95 175.96 3i26 n SER 291 N -2.38 -1.48 0.00 2.95 3.41 -1.26 -4.51 113.62 110.35 3i26 n SER 291 Ca 0.04 0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.79 3i26 n SER 291 Cb 0.58 -1.23 0.44 0.00 -0.26 0.00 0.00 64.21 63.74 3i26 n SER 291 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i26 n GLU 292 N -3.59 0.92 0.22 4.33 1.02 -1.26 -1.85 120.64 120.42 3i26 n GLU 292 Ca 0.05 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 3i26 n GLU 292 Cb 0.55 -1.25 0.50 0.00 -0.02 0.00 0.00 31.44 31.22 3i26 n GLU 292 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i26 h GLN 293 N 0.00 0.00 -5.85 3.49 4.20 -1.97 -3.47 115.11 111.51 3i26 h GLN 293 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3i26 h GLN 293 Cb 0.00 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.64 3i26 h GLN 293 CO 0.00 0.26 -0.71 0.71 -0.67 0.00 0.00 178.83 178.42 3i26 s TYR 294 N -4.09 2.15 -0.17 2.96 1.51 -0.77 -5.12 117.35 113.81 3i26 s TYR 294 Ca -0.02 -0.51 -0.26 0.00 -1.01 0.00 0.00 57.07 55.27 3i26 s TYR 294 Cb 0.13 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 3i26 s TYR 294 CO 0.66 0.52 0.88 0.00 -1.11 0.00 0.00 175.55 176.50 3i26 s ALA 295 N -2.74 3.52 0.50 3.71 0.00 -1.26 -4.82 121.76 120.67 3i26 s ALA 295 Ca 0.29 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3i26 s ALA 295 Cb -0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3i26 s ALA 295 CO 0.13 -0.69 0.27 -1.12 0.00 0.00 0.00 175.76 174.35 3i26 s SER 296 N 1.16 4.51 0.33 0.00 0.01 -1.26 -2.24 113.70 116.20 3i26 s SER 296 Ca 0.40 -1.26 0.03 0.00 1.31 0.00 0.00 55.95 56.44 3i26 s SER 296 Cb -0.17 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 3i26 s SER 296 CO 0.12 -0.90 0.14 1.51 0.41 0.00 0.00 173.24 174.52 3i26 s ASP 297 N -4.11 1.89 -0.33 2.44 -4.77 -1.26 -4.62 116.67 105.91 3i26 s ASP 297 Ca 0.31 -1.55 0.07 0.00 -3.30 0.00 0.00 52.55 48.09 3i26 s ASP 297 Cb -0.00 0.33 0.52 0.00 -1.09 0.00 0.00 42.92 42.69 3i26 s ASP 297 CO 0.18 -0.85 1.53 -0.67 0.70 0.00 0.00 175.17 176.07 3i26 n ASP 298 N -0.95 2.95 -0.31 2.11 2.03 -1.26 -4.76 116.55 116.37 3i26 n ASP 298 Ca -0.01 -3.78 -0.05 0.00 0.52 0.00 0.00 54.79 51.48 3i26 n ASP 298 Cb 0.65 -0.66 0.07 0.00 -0.72 0.00 0.00 41.12 40.46 3i26 n ASP 298 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i26 h ALA 299 N 1.10 1.08 -0.03 -1.67 0.00 -1.97 -0.78 119.26 116.99 3i26 h ALA 299 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i26 h ALA 299 Cb 1.78 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3i26 h ALA 299 CO 0.55 0.63 0.01 0.82 0.00 0.00 0.00 179.25 181.27 3i26 h ILE 300 N 1.19 1.13 -0.40 0.00 1.08 -1.93 0.88 117.51 119.45 3i26 h ILE 300 Ca 0.29 -0.37 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3i26 h ILE 300 Cb 0.10 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 3i26 h ILE 300 CO -0.04 0.10 0.13 1.23 -0.69 0.00 0.00 178.15 178.88 3i26 h GLY 301 N -0.11 0.61 2.00 5.37 0.00 -1.85 0.17 103.07 109.25 3i26 h GLY 301 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 3i26 h GLY 301 CO -0.00 0.29 -0.49 1.46 0.00 0.00 0.00 176.54 177.79 3i26 h GLN 302 N 0.56 0.00 0.04 4.80 1.08 -0.86 -3.28 115.11 117.46 3i26 h GLN 302 Ca 0.14 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.06 3i26 h GLN 302 Cb 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 3i26 h GLN 302 CO -0.01 0.49 -1.44 0.00 -0.95 0.00 0.00 178.83 176.92 3i26 h ALA 303 N 1.51 0.47 -2.03 3.87 0.00 -0.28 -3.43 119.26 119.36 3i26 h ALA 303 Ca -0.00 -1.18 -0.70 0.00 0.00 0.00 0.00 54.91 53.03 3i26 h ALA 303 Cb 1.19 0.23 -0.19 0.00 0.00 0.00 0.00 17.79 19.03 3i26 h ALA 303 CO 0.06 1.33 0.69 0.00 0.00 0.00 0.00 179.25 181.33 3i26 s LYS 305 N 2.43 0.99 0.45 0.00 -0.14 -1.25 -4.50 119.74 117.71 3i26 s LYS 305 Ca 0.29 -0.90 -0.23 0.00 -1.36 0.00 0.00 55.97 53.77 3i26 s LYS 305 Cb -0.07 -1.05 -0.10 0.00 -1.68 0.00 0.00 37.83 34.93 3i26 s LYS 305 CO -0.08 0.25 0.93 0.00 -0.76 0.00 0.00 175.35 175.70 3i26 n ALA 306 N 1.58 -0.06 0.73 5.17 0.00 -1.22 -1.84 120.51 124.88 3i26 n ALA 306 Ca -0.19 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3i26 n ALA 306 Cb 0.54 -2.04 0.26 0.00 0.00 0.00 0.00 19.45 18.21 3i26 n ALA 306 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i26 n PRO 307 N 0.06 2.21 -0.00 0.00 -0.04 -1.26 -4.84 135.00 131.13 3i26 n PRO 307 Ca 0.10 -1.82 0.10 0.00 -0.04 0.00 0.00 63.50 61.84 3i26 n PRO 307 Cb 0.40 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3i26 n PRO 307 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3i26 n TYR 308 N 1.06 0.00 -3.77 0.54 4.11 -0.97 -4.66 117.16 113.47 3i26 n TYR 308 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.95 3i26 n TYR 308 Cb 0.51 -0.20 -0.12 0.00 -0.00 0.00 0.00 39.34 39.53 3i26 n TYR 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3i26 s ILE 310 N 0.44 4.65 -0.27 0.00 1.01 0.03 -3.37 121.20 123.70 3i26 s ILE 310 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3i26 s ILE 310 Cb -0.04 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 3i26 s ILE 310 CO -0.02 -0.07 0.17 0.12 0.00 0.00 0.00 174.94 175.14 3i26 s PHE 311 N 1.60 3.24 -0.72 3.97 5.36 -1.26 -0.80 117.98 129.37 3i26 s PHE 311 Ca 0.04 0.13 -0.13 0.00 -0.96 0.00 0.00 56.93 56.00 3i26 s PHE 311 Cb -0.18 -2.34 0.19 0.00 -0.34 0.00 0.00 43.02 40.35 3i26 s PHE 311 CO 0.07 -0.10 0.65 0.71 -1.46 0.00 0.00 175.22 175.09 3i26 s TYR 312 N 1.53 3.59 0.66 10.12 2.02 0.31 -4.96 117.35 130.63 3i26 s TYR 312 Ca 0.07 -1.89 -0.11 0.00 -0.37 0.00 0.00 57.07 54.77 3i26 s TYR 312 Cb -0.15 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.66 3i26 s TYR 312 CO 0.09 -0.98 1.05 1.21 -1.57 0.00 0.00 175.55 175.34 3i26 s ASN 313 N 2.39 5.75 0.05 2.29 3.84 -1.26 -1.87 114.94 126.13 3i26 s ASN 313 Ca 0.14 1.48 -0.22 0.00 0.21 0.00 0.00 52.86 54.47 3i26 s ASN 313 Cb -0.17 -2.43 -0.06 0.00 -0.55 0.00 0.00 41.25 38.04 3i26 s ASN 313 CO -0.05 -1.19 0.65 -0.54 -2.79 0.00 0.00 177.10 173.18 3i26 s LYS 314 N -5.13 4.36 0.00 0.43 1.02 -1.26 -4.87 119.74 114.29 3i26 s LYS 314 Ca 0.57 0.87 0.23 0.00 0.02 0.00 0.00 55.97 57.65 3i26 s LYS 314 Cb -0.12 -3.30 0.11 0.00 -0.52 0.00 0.00 37.83 34.00 3i26 s LYS 314 CO 0.54 0.46 1.14 0.25 -0.92 0.00 0.00 175.35 176.83 3i26 n THR 315 N 2.27 0.00 -4.42 2.17 -2.24 -1.26 -4.93 114.28 105.87 3i26 n THR 315 Ca -0.07 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 3i26 n THR 315 Cb 0.50 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 3i26 n THR 315 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i26 s THR 316 N -2.85 2.24 1.20 4.28 -4.23 -1.26 -5.15 115.64 109.87 3i26 s THR 316 Ca 0.12 -2.26 -0.15 0.00 -1.18 0.00 0.00 61.69 58.23 3i26 s THR 316 Cb 0.17 -2.17 0.26 0.00 1.34 0.00 0.00 72.50 72.10 3i26 s THR 316 CO 0.73 -0.39 0.76 -0.81 -0.54 0.00 0.00 174.62 174.38 3i26 n PRO 317 N -0.33 -2.52 -2.38 3.99 -0.04 -1.26 -4.92 135.00 127.54 3i26 n PRO 317 Ca -0.08 -0.71 -0.43 0.00 -0.04 0.00 0.00 63.50 62.24 3i26 n PRO 317 Cb 0.59 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3i26 n PRO 317 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3i26 s TYR 318 N -2.34 2.59 -0.24 0.54 5.04 -1.26 -4.94 117.35 116.74 3i26 s TYR 318 Ca 0.66 0.81 -0.03 0.00 -2.44 0.00 0.00 57.07 56.07 3i26 s TYR 318 Cb -0.22 -3.95 0.08 0.00 0.35 0.00 0.00 41.96 38.22 3i26 s TYR 318 CO 0.66 -1.89 0.08 0.99 -1.34 0.00 0.00 175.55 174.05 3i26 s THR 319 N 4.55 0.41 -0.21 4.34 2.01 -1.26 -4.60 115.64 120.89 3i26 s THR 319 Ca 0.58 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 3i26 s THR 319 Cb -0.17 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 3i26 s THR 319 CO 0.25 -0.45 0.04 -0.69 -0.69 0.00 0.00 174.62 173.07 3i26 s VAL 320 N 1.88 4.35 -0.04 3.82 1.01 -1.26 -1.81 120.40 128.35 3i26 s VAL 320 Ca 0.04 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.91 3i26 s VAL 320 Cb -0.17 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 3i26 s VAL 320 CO -0.19 0.41 0.07 0.35 0.00 0.00 0.00 175.10 175.74 3i26 n THR 321 N 4.20 0.28 -3.09 3.92 -2.24 -1.26 -4.84 114.28 111.26 3i26 n THR 321 Ca -0.17 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 3i26 n THR 321 Cb 0.52 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.31 3i26 n THR 321 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i26 n ASN 322 N -2.06 -0.48 -1.78 3.42 5.15 -1.26 -5.12 115.26 113.13 3i26 n ASN 322 Ca -0.07 -2.85 -0.03 0.00 -0.60 0.00 0.00 54.58 51.03 3i26 n ASN 322 Cb 0.52 -0.08 -0.01 0.00 -0.53 0.00 0.00 39.78 39.68 3i26 n ASN 322 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i26 n GLY 323 N 1.38 4.03 0.08 8.20 0.00 -1.26 -4.94 105.19 112.68 3i26 n GLY 323 Ca 0.18 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 3i26 n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i26 h SER 324 N 0.17 0.00 -2.35 1.61 4.64 -1.37 -3.48 113.55 112.78 3i26 h SER 324 Ca -0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3i26 h SER 324 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3i26 h SER 324 CO 0.06 0.91 0.20 -0.90 -0.87 0.00 0.00 176.83 176.23 3i26 n ASP 325 N -3.17 -1.58 0.14 4.97 5.68 -1.26 -5.02 116.55 116.32 3i26 n ASP 325 Ca -0.07 -2.08 0.11 0.00 -0.50 0.00 0.00 54.79 52.25 3i26 n ASP 325 Cb 0.95 2.63 0.52 0.00 -1.14 0.00 0.00 41.12 44.08 3i26 n ASP 325 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i26 n ALA 326 N -1.32 1.36 -0.48 2.12 0.00 -1.26 -2.30 120.51 118.63 3i26 n ALA 326 Ca -0.12 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.52 3i26 n ALA 326 Cb 0.41 -1.34 0.16 0.00 0.00 0.00 0.00 19.45 18.68 3i26 n ALA 326 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i26 n ASN 327 N -2.22 3.05 -3.66 0.00 3.02 -1.26 -4.52 115.26 109.67 3i26 n ASN 327 Ca 0.00 -2.40 -0.23 0.00 -0.03 0.00 0.00 54.58 51.93 3i26 n ASN 327 Cb 0.13 -0.31 -0.18 0.00 -0.61 0.00 0.00 39.78 38.82 3i26 n ASN 327 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3i26 s HIS 328 N -1.71 0.19 0.00 3.10 3.76 -0.97 -4.92 115.29 114.73 3i26 s HIS 328 Ca 0.27 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.16 3i26 s HIS 328 Cb 0.18 -0.60 0.00 0.00 1.11 0.00 0.00 32.58 33.28 3i26 s HIS 328 CO 0.10 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.08 3i26 n GLY 329 N 5.27 0.93 3.71 -2.22 0.00 -1.26 -2.77 105.19 108.85 3i26 n GLY 329 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3i26 n GLY 329 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i26 s ASP 330 N -1.17 6.55 0.16 1.61 3.68 -1.26 -4.32 116.67 121.91 3i26 s ASP 330 Ca 0.00 2.63 -0.11 0.00 2.13 0.00 0.00 52.55 57.20 3i26 s ASP 330 Cb 0.00 -2.58 0.02 0.00 -1.45 0.00 0.00 42.92 38.91 3i26 s ASP 330 CO 0.00 -0.88 1.59 0.44 0.13 0.00 0.00 175.17 176.46 3i26 h ASP 331 N 7.36 0.93 0.56 -0.34 3.32 -1.73 -0.45 116.42 126.07 3i26 h ASP 331 Ca -0.43 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.26 3i26 h ASP 331 Cb 1.20 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.51 3i26 h ASP 331 CO 0.93 1.04 -0.27 -0.08 -1.72 0.00 0.00 179.24 179.14 3i26 h GLU 332 N 0.80 -0.73 -0.77 3.56 4.81 -1.92 -1.46 114.58 118.89 3i26 h GLU 332 Ca 0.14 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3i26 h GLU 332 Cb 0.60 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 3i26 h GLU 332 CO 0.04 -0.46 0.37 0.28 -0.73 0.00 0.00 179.01 178.50 3i26 h VAL 333 N -0.80 1.24 -0.67 0.32 2.07 -1.91 0.15 116.25 116.64 3i26 h VAL 333 Ca -0.08 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.86 3i26 h VAL 333 Cb 0.60 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3i26 h VAL 333 CO 0.13 0.29 0.31 0.03 0.02 0.00 0.00 177.57 178.35 3i26 h ARG 334 N 1.09 0.52 -0.31 1.57 3.08 -0.99 0.70 114.38 120.05 3i26 h ARG 334 Ca 0.26 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3i26 h ARG 334 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3i26 h ARG 334 CO -0.03 0.35 0.02 1.98 -1.07 0.00 0.00 179.97 181.21 3i26 h MET 335 N 0.54 0.53 -0.71 0.04 4.05 -0.17 -3.04 114.93 116.17 3i26 h MET 335 Ca 0.33 -0.16 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 3i26 h MET 335 Cb 0.37 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 3i26 h MET 335 CO -0.28 0.65 0.40 0.52 0.23 0.00 0.00 176.91 178.44 3i26 h MET 336 N 0.34 0.71 0.00 0.39 2.86 -0.23 -2.66 114.93 116.34 3i26 h MET 336 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3i26 h MET 336 Cb 0.40 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3i26 h MET 336 CO 0.01 0.47 0.00 0.52 1.06 0.00 0.00 176.91 178.97 3i26 h MET 337 N 0.73 0.00 -0.13 1.72 2.07 -0.78 -2.09 114.93 116.45 3i26 h MET 337 Ca 0.32 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.99 3i26 h MET 337 Cb 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 3i26 h MET 337 CO -0.19 0.00 0.15 1.96 1.07 0.00 0.00 176.91 179.90 3i26 h GLN 338 N 0.00 0.00 -0.08 1.72 1.08 -1.37 -1.02 115.11 115.45 3i26 h GLN 338 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3i26 h GLN 338 Cb 0.44 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3i26 h GLN 338 CO 0.00 0.00 0.11 0.78 -0.95 0.00 0.00 178.83 178.77 3i26 h GLY 339 N 0.00 0.00 1.68 3.46 0.00 -1.54 -1.83 103.07 104.84 3i26 h GLY 339 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3i26 h GLY 339 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3i26 n LEU 340 N -3.67 0.00 -0.01 3.11 4.77 -0.38 -3.16 117.00 117.65 3i26 n LEU 340 Ca -0.01 0.34 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 3i26 n LEU 340 Cb 0.20 -0.34 0.45 0.00 -2.33 0.00 0.00 43.42 41.40 3i26 n LEU 340 CO 0.26 -0.03 0.73 0.18 -1.33 0.00 0.00 177.39 177.19 3i26 n LEU 341 N -1.34 0.28 -4.76 2.23 4.77 -0.69 -4.87 117.00 112.62 3i26 n LEU 341 Ca 0.11 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 3i26 n LEU 341 Cb 0.24 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3i26 n LEU 341 CO 0.22 0.07 -0.26 0.00 -1.33 0.00 0.00 177.39 176.08 3i26 s ARG 342 N -2.94 2.76 -0.72 3.23 1.70 -1.19 -5.06 118.95 116.73 3i26 s ARG 342 Ca 0.14 -0.88 -0.16 0.00 -0.47 0.00 0.00 55.73 54.36 3i26 s ARG 342 Cb 0.18 -2.59 0.17 0.00 -0.57 0.00 0.00 34.95 32.15 3i26 s ARG 342 CO 0.60 0.50 0.70 -0.80 -1.08 0.00 0.00 175.30 175.22 3i26 s ASN 343 N -2.87 6.50 0.53 -2.89 0.01 -1.26 -4.50 114.94 110.47 3i26 s ASN 343 Ca 0.29 -2.21 0.00 0.00 -0.71 0.00 0.00 52.86 50.23 3i26 s ASN 343 Cb -0.10 -2.23 0.02 0.00 0.41 0.00 0.00 41.25 39.34 3i26 s ASN 343 CO 0.22 -0.76 0.76 -0.44 -1.51 0.00 0.00 177.10 175.37 3i26 s SER 344 N 2.90 5.42 -0.04 -1.22 0.01 -0.75 -4.86 113.70 115.16 3i26 s SER 344 Ca 0.13 0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.63 3i26 s SER 344 Cb -0.18 -1.12 -0.15 0.00 0.21 0.00 0.00 66.02 64.79 3i26 s SER 344 CO -0.03 -1.04 0.17 -1.20 0.41 0.00 0.00 173.24 171.54 3i26 n SER 345 N -2.31 2.66 -3.95 2.44 7.64 -0.06 -4.20 113.62 115.84 3i26 n SER 345 Ca 0.06 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.75 3i26 n SER 345 Cb 0.59 1.24 -0.16 0.00 -1.01 0.00 0.00 64.21 64.88 3i26 n SER 345 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i26 s ILE 347 N 0.42 1.45 0.29 0.00 -1.09 -0.64 -2.11 121.20 119.53 3i26 s ILE 347 Ca -0.06 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.53 3i26 s ILE 347 Cb -0.10 -1.29 0.02 0.00 -1.58 0.00 0.00 42.46 39.51 3i26 s ILE 347 CO 0.00 0.43 0.64 -0.94 -1.23 0.00 0.00 174.94 173.84 3i26 s SER 348 N 0.55 -0.09 0.50 3.58 1.04 -0.91 -1.60 113.70 116.78 3i26 s SER 348 Ca -0.16 -0.86 0.33 0.00 0.48 0.00 0.00 55.95 55.74 3i26 s SER 348 Cb -0.17 0.70 1.50 0.00 0.10 0.00 0.00 66.02 68.16 3i26 s SER 348 CO 0.06 -1.34 1.99 -0.65 0.98 0.00 0.00 173.24 174.27 3i26 h PRO 349 N 2.09 0.00 0.00 4.02 0.11 -1.77 -0.80 132.00 135.65 3i26 h PRO 349 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3i26 h PRO 349 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3i26 h PRO 349 CO 0.31 0.00 -0.18 1.96 -0.21 0.00 0.00 178.00 179.88 3i26 h GLN 350 N 0.00 0.00 0.00 1.05 7.50 -1.93 -3.47 115.11 118.27 3i26 h GLN 350 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3i26 h GLN 350 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.86 3i26 h GLN 350 CO 0.00 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.74 3i26 n GLY 351 N 1.25 0.56 3.88 3.46 0.00 -0.31 -3.60 105.19 110.44 3i26 n GLY 351 Ca 0.04 -2.20 -0.27 0.00 0.00 0.00 0.00 46.02 43.59 3i26 n GLY 351 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i26 s SER 352 N -4.00 6.02 0.06 1.61 1.04 -0.57 -2.14 113.70 115.71 3i26 s SER 352 Ca 0.00 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.51 3i26 s SER 352 Cb 0.00 -1.73 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 3i26 s SER 352 CO 0.00 0.08 -0.05 0.42 0.98 0.00 0.00 173.24 174.67 3i26 s THR 353 N -1.68 0.43 0.65 2.02 -4.23 -0.90 -0.08 115.64 111.85 3i26 s THR 353 Ca 0.33 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 3i26 s THR 353 Cb -0.11 -1.06 0.15 0.00 1.34 0.00 0.00 72.50 72.82 3i26 s THR 353 CO 0.26 -0.69 0.80 -0.81 -0.54 0.00 0.00 174.62 173.65 3i26 n PRO 354 N 0.74 -1.17 -2.12 3.99 -0.04 -1.26 -0.88 135.00 134.26 3i26 n PRO 354 Ca -0.18 -1.25 -0.42 0.00 -0.04 0.00 0.00 63.50 61.61 3i26 n PRO 354 Cb 0.58 -0.90 -0.03 0.00 -0.04 0.00 0.00 33.50 33.11 3i26 n PRO 354 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i26 s LEU 355 N 0.00 4.30 -0.00 1.53 2.96 -1.26 -4.56 118.68 121.64 3i26 s LEU 355 Ca 0.47 2.12 -0.25 0.00 -0.22 0.00 0.00 54.13 56.25 3i26 s LEU 355 Cb -0.02 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.19 3i26 s LEU 355 CO 0.33 -0.85 0.56 0.00 -1.32 0.00 0.00 176.35 175.07 3i26 s ALA 356 N 3.54 -1.45 0.12 5.97 0.00 -1.26 -5.06 121.76 123.62 3i26 s ALA 356 Ca 0.68 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 53.38 3i26 s ALA 356 Cb -0.31 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3i26 s ALA 356 CO 0.26 -0.41 1.50 -0.07 0.00 0.00 0.00 175.76 177.05 3i26 h LEU 357 N 3.04 0.75 -8.45 0.00 3.38 -1.93 -3.33 115.31 108.77 3i26 h LEU 357 Ca -0.29 -0.39 -0.41 0.00 0.09 0.00 0.00 57.88 56.89 3i26 h LEU 357 Cb 1.18 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.51 3i26 h LEU 357 CO 0.40 0.97 -0.77 -0.31 0.09 0.00 0.00 178.44 178.82 3i26 s TYR 358 N -4.69 1.24 0.08 1.13 1.51 -1.26 -1.58 117.35 113.78 3i26 s TYR 358 Ca -0.13 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.52 3i26 s TYR 358 Cb 0.10 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 3i26 s TYR 358 CO 0.82 0.07 -0.19 0.45 -1.11 0.00 0.00 175.55 175.58 3i26 s SER 359 N -1.94 3.77 0.10 2.29 0.15 -0.13 -0.94 113.70 117.00 3i26 s SER 359 Ca 0.01 -0.52 0.25 0.00 0.70 0.00 0.00 55.95 56.38 3i26 s SER 359 Cb -0.08 -0.53 0.97 0.00 -1.71 0.00 0.00 66.02 64.66 3i26 s SER 359 CO 0.02 0.21 1.78 0.35 1.20 0.00 0.00 173.24 176.80 3i26 n THR 360 N 1.16 0.46 -3.99 6.45 -2.24 -0.28 -1.08 114.28 114.75 3i26 n THR 360 Ca -0.16 -0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 3i26 n THR 360 Cb 0.52 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.97 3i26 n THR 360 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i26 s GLU 361 N -3.07 0.89 0.25 -0.78 -1.05 -1.26 -4.88 118.70 108.80 3i26 s GLU 361 Ca 0.10 -1.17 -0.30 0.00 -0.15 0.00 0.00 54.97 53.45 3i26 s GLU 361 Cb 0.14 0.30 -0.11 0.00 -0.44 0.00 0.00 34.13 34.02 3i26 s GLU 361 CO 0.49 -0.27 1.57 1.41 0.95 0.00 0.00 175.26 179.40 3i26 s MET 362 N -3.94 4.18 -0.27 -4.83 -2.45 -1.26 -4.52 119.30 106.21 3i26 s MET 362 Ca 0.12 2.47 -0.11 0.00 -1.25 0.00 0.00 55.69 56.93 3i26 s MET 362 Cb 0.06 -3.07 -0.05 0.00 1.25 0.00 0.00 34.83 33.01 3i26 s MET 362 CO -0.05 -0.59 0.19 0.42 1.05 0.00 0.00 175.02 176.04 3i26 s ILE 363 N 0.33 5.32 0.57 10.11 1.01 -1.26 -4.96 121.20 132.32 3i26 s ILE 363 Ca 0.65 0.20 0.09 0.00 0.00 0.00 0.00 60.65 61.59 3i26 s ILE 363 Cb -0.46 -3.53 0.08 0.00 0.01 0.00 0.00 42.46 38.56 3i26 s ILE 363 CO 0.42 0.27 0.77 -0.31 0.00 0.00 0.00 174.94 176.09 3i26 s TYR 364 N 1.59 1.41 0.17 3.97 2.02 -1.26 -5.07 117.35 120.18 3i26 s TYR 364 Ca 0.08 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 56.08 3i26 s TYR 364 Cb -0.15 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.18 3i26 s TYR 364 CO 0.09 -1.12 0.23 -1.21 -1.57 0.00 0.00 175.55 171.97 3i26 s GLU 365 N -4.65 3.21 0.41 -0.62 0.41 -1.26 -4.10 118.70 112.10 3i26 s GLU 365 Ca 0.60 -0.75 -0.23 0.00 -0.41 0.00 0.00 54.97 54.18 3i26 s GLU 365 Cb -0.06 -2.81 -0.09 0.00 -1.78 0.00 0.00 34.13 29.40 3i26 s GLU 365 CO 0.38 0.49 1.03 -2.14 -0.49 0.00 0.00 175.26 174.53 3i26 s PRO 366 N -3.33 4.16 0.05 0.39 0.02 -1.26 -4.82 135.00 130.20 3i26 s PRO 366 Ca 0.33 1.46 -0.03 0.00 0.02 0.00 0.00 61.00 62.78 3i26 s PRO 366 Cb -0.10 -2.48 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 3i26 s PRO 366 CO 0.26 -0.14 0.02 0.54 -0.33 0.00 0.00 177.00 177.35 3i26 s ASN 367 N -1.66 0.39 0.25 2.53 2.20 -1.26 -3.86 114.94 113.53 3i26 s ASN 367 Ca 0.59 -0.88 -0.15 0.00 -0.94 0.00 0.00 52.86 51.48 3i26 s ASN 367 Cb -0.20 0.22 0.00 0.00 -2.00 0.00 0.00 41.25 39.27 3i26 s ASN 367 CO 0.25 -0.60 0.52 -0.72 -2.94 0.00 0.00 177.10 173.61 3i26 s TYR 368 N -3.71 0.22 0.00 1.54 -0.85 -0.63 -5.01 117.35 108.92 3i26 s TYR 368 Ca 0.05 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.00 3i26 s TYR 368 Cb 0.06 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.70 3i26 s TYR 368 CO -0.09 -1.02 0.00 0.41 -1.52 0.00 0.00 175.55 173.32 3i26 n GLY 369 N -0.39 -0.50 3.19 5.49 0.00 -1.26 -1.61 105.19 110.11 3i26 n GLY 369 Ca -0.03 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 3i26 n GLY 369 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i26 s SER 370 N -4.00 4.44 -0.07 1.61 0.15 -0.10 -4.95 113.70 110.79 3i26 s SER 370 Ca 0.00 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.67 3i26 s SER 370 Cb 0.00 -1.67 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 3i26 s SER 370 CO 0.00 -0.16 -0.04 0.00 1.20 0.00 0.00 173.24 174.24 3i26 s PRO 372 N -0.88 2.01 0.00 0.00 0.04 -1.25 -5.00 135.00 129.93 3i26 s PRO 372 Ca 0.13 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3i26 s PRO 372 Cb -0.11 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3i26 s PRO 372 CO 0.02 -1.84 0.04 -0.65 0.04 0.00 0.00 177.00 174.61 3i26 s GLN 373 N -4.80 2.91 -0.07 4.56 -0.21 -0.62 -4.63 119.66 116.80 3i26 s GLN 373 Ca 0.63 -0.56 -0.36 0.00 0.02 0.00 0.00 55.36 55.09 3i26 s GLN 373 Cb -0.19 -2.76 -0.14 0.00 1.00 0.00 0.00 33.01 30.93 3i26 s GLN 373 CO 0.56 0.63 1.71 0.34 -2.12 0.00 0.00 175.29 176.41 3i26 n PHE 374 N 1.25 2.14 -0.06 0.91 -0.00 -1.26 -0.96 117.46 119.48 3i26 n PHE 374 Ca -0.14 0.28 -0.00 0.00 -0.00 0.00 0.00 57.45 57.59 3i26 n PHE 374 Cb 0.53 -2.54 0.28 0.00 -0.00 0.00 0.00 39.48 37.75 3i26 n PHE 374 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.76 176.86 3i26 h TYR 375 N 7.42 0.67 -0.02 -5.13 -0.00 -1.43 -1.87 116.97 116.61 3i26 h TYR 375 Ca -0.47 -0.04 0.01 0.00 -0.00 0.00 0.00 58.73 58.22 3i26 h TYR 375 Cb 1.29 -0.20 -0.00 0.00 -0.00 0.00 0.00 36.73 37.81 3i26 h TYR 375 CO 0.76 0.56 0.03 0.87 -0.00 0.00 0.00 178.16 180.38 3i26 h LYS 376 N 0.65 0.00 0.00 0.10 1.57 -1.84 -0.84 116.57 116.21 3i26 h LYS 376 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3i26 h LYS 376 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3i26 h LYS 376 CO -0.01 0.00 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.66 3i26 h LEU 377 N 0.00 0.00 -2.56 2.94 3.38 -1.71 -1.84 115.31 115.52 3i26 h LEU 377 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i26 h LEU 377 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3i26 h LEU 377 CO -0.00 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.16 3i26 n PHE 378 N -4.01 0.65 -0.70 1.13 3.01 -0.33 -5.15 117.46 112.05 3i26 n PHE 378 Ca -0.02 -0.39 0.00 0.00 1.01 0.00 0.00 57.45 58.05 3i26 n PHE 378 Cb 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3i26 n PHE 378 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52