#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i45 s LEU 3 N 0.00 4.57 0.18 1.04 1.43 -1.26 -5.00 118.68 119.65 3i45 s LEU 3 Ca 0.00 2.21 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 3i45 s LEU 3 Cb 0.00 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 3i45 s LEU 3 CO 0.00 -0.08 1.51 -1.61 0.23 0.00 0.00 176.35 176.39 3i45 s GLU 4 N -1.40 4.24 0.65 1.70 0.41 -1.26 -4.68 118.70 118.36 3i45 s GLU 4 Ca 0.44 2.30 -0.16 0.00 -0.41 0.00 0.00 54.97 57.14 3i45 s GLU 4 Cb -0.31 -3.15 -0.01 0.00 -1.78 0.00 0.00 34.13 28.88 3i45 s GLU 4 CO 0.39 -0.53 1.16 0.00 -0.49 0.00 0.00 175.26 175.79 3i45 s ALA 5 N 0.80 2.43 -0.25 5.21 0.00 -1.26 -4.39 121.76 124.30 3i45 s ALA 5 Ca 0.66 0.77 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 3i45 s ALA 5 Cb -0.42 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 3i45 s ALA 5 CO 0.35 -1.33 0.53 0.42 0.00 0.00 0.00 175.76 175.72 3i45 s ILE 6 N -2.01 5.07 -0.14 0.00 1.01 0.19 -4.95 121.20 120.36 3i45 s ILE 6 Ca 0.72 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 62.27 3i45 s ILE 6 Cb -0.25 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3i45 s ILE 6 CO 0.38 0.10 -0.09 -0.13 0.00 0.00 0.00 174.94 175.20 3i45 s ARG 7 N 2.18 3.49 -0.13 2.79 0.52 -1.26 -0.72 118.95 125.82 3i45 s ARG 7 Ca 0.22 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 3i45 s ARG 7 Cb -0.16 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.55 3i45 s ARG 7 CO 0.09 0.21 -0.16 0.42 0.02 0.00 0.00 175.30 175.87 3i45 s ILE 8 N 0.40 2.70 -0.37 1.52 1.01 -0.12 -0.13 121.20 126.22 3i45 s ILE 8 Ca -0.08 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 3i45 s ILE 8 Cb -0.15 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3i45 s ILE 8 CO 0.04 0.53 0.46 -0.83 0.00 0.00 0.00 174.94 175.15 3i45 s GLY 9 N 0.46 1.85 -0.10 6.18 0.00 0.04 -0.52 107.32 115.22 3i45 s GLY 9 Ca -0.12 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 3i45 s GLY 9 CO 0.05 1.19 -0.09 1.85 0.00 0.00 0.00 173.10 176.10 3i45 s GLU 10 N 2.26 3.09 -0.06 2.90 -6.30 0.03 -0.49 118.70 120.12 3i45 s GLU 10 Ca 0.16 -0.60 0.03 0.00 -2.50 0.00 0.00 54.97 52.05 3i45 s GLU 10 Cb -0.16 -2.64 0.01 0.00 0.00 0.00 0.00 34.13 31.34 3i45 s GLU 10 CO 0.13 0.44 -0.15 0.42 0.02 0.00 0.00 175.26 176.13 3i45 s ILE 11 N -0.22 1.32 0.34 -3.70 1.01 -0.54 -0.56 121.20 118.86 3i45 s ILE 11 Ca 0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3i45 s ILE 11 Cb -0.13 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.20 3i45 s ILE 11 CO 0.03 0.39 0.75 0.21 0.00 0.00 0.00 174.94 176.32 3i45 s ASN 12 N 0.46 -0.06 -1.03 3.58 3.84 -0.36 0.35 114.94 121.72 3i45 s ASN 12 Ca -0.12 -0.97 -0.04 0.00 0.21 0.00 0.00 52.86 51.94 3i45 s ASN 12 Cb -0.15 0.80 0.18 0.00 -0.55 0.00 0.00 41.25 41.52 3i45 s ASN 12 CO 0.04 -1.55 2.30 -1.20 -2.79 0.00 0.00 177.10 173.91 3i45 n SER 13 N -1.06 7.52 -0.10 -4.21 7.64 -1.26 -0.97 113.62 121.18 3i45 n SER 13 Ca -0.06 -3.35 0.01 0.00 1.01 0.00 0.00 58.87 56.48 3i45 n SER 13 Cb 0.60 -1.26 0.30 0.00 -1.01 0.00 0.00 64.21 62.83 3i45 n SER 13 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3i45 h TYR 14 N 4.03 0.74 0.00 1.43 0.05 -1.89 -1.32 116.97 120.01 3i45 h TYR 14 Ca 0.59 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.36 3i45 h TYR 14 Cb 0.37 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.87 3i45 h TYR 14 CO 1.48 0.53 0.00 0.66 -1.05 0.00 0.00 178.16 179.78 3i45 h SER 15 N 0.76 0.00 0.00 3.88 4.64 -1.98 -3.35 113.55 117.50 3i45 h SER 15 Ca 0.19 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 3i45 h SER 15 Cb 0.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3i45 h SER 15 CO -0.03 0.00 -1.79 0.00 -0.87 0.00 0.00 176.83 174.14 3i45 n GLN 16 N -2.64 0.35 -3.22 4.77 1.13 -0.88 -4.81 117.38 112.08 3i45 n GLN 16 Ca 0.04 0.08 -0.24 0.00 -1.94 0.00 0.00 57.00 54.95 3i45 n GLN 16 Cb 0.45 -1.28 -0.06 0.00 0.11 0.00 0.00 30.24 29.46 3i45 n GLN 16 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3i45 n ILE 17 N -2.92 0.44 0.28 5.09 3.06 -0.55 -4.94 119.36 119.83 3i45 n ILE 17 Ca -0.25 -4.54 0.16 0.00 -2.50 0.00 0.00 62.75 55.62 3i45 n ILE 17 Cb 0.76 -1.61 0.85 0.00 0.54 0.00 0.00 39.64 40.18 3i45 n ILE 17 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 3i45 h PRO 18 N 3.75 0.00 -0.90 9.51 0.13 -1.75 -1.36 132.00 141.38 3i45 h PRO 18 Ca 0.11 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.37 3i45 h PRO 18 Cb 0.81 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.87 3i45 h PRO 18 CO 0.59 0.06 0.58 0.00 -0.23 0.00 0.00 178.00 179.00 3i45 h ALA 19 N 1.94 1.74 0.02 -0.56 0.00 -1.93 -1.44 119.26 119.04 3i45 h ALA 19 Ca -0.00 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 3i45 h ALA 19 Cb 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3i45 h ALA 19 CO 0.01 0.03 -1.61 0.34 0.00 0.00 0.00 179.25 178.01 3i45 n PHE 20 N -4.56 0.90 0.13 0.00 7.35 -0.97 -4.55 117.46 115.77 3i45 n PHE 20 Ca 0.17 0.34 -0.01 0.00 -0.76 0.00 0.00 57.45 57.18 3i45 n PHE 20 Cb 0.41 -1.10 0.12 0.00 0.35 0.00 0.00 39.48 39.26 3i45 n PHE 20 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3i45 h THR 21 N -0.76 1.38 0.01 -2.13 1.35 -1.09 -1.63 112.91 110.04 3i45 h THR 21 Ca -0.42 -2.35 -0.00 0.00 -0.55 0.00 0.00 66.41 63.10 3i45 h THR 21 Cb 1.51 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 3i45 h THR 21 CO -0.18 0.65 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.67 3i45 h LEU 22 N 0.00 -0.01 -1.71 3.87 3.38 -1.51 -0.70 115.31 118.63 3i45 h LEU 22 Ca -0.01 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3i45 h LEU 22 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3i45 h LEU 22 CO 0.09 0.50 0.06 -0.65 0.09 0.00 0.00 178.44 178.52 3i45 h PRO 23 N -0.52 0.24 -0.29 1.13 0.11 -1.74 -1.39 132.00 129.53 3i45 h PRO 23 Ca -0.00 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.10 3i45 h PRO 23 Cb 0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3i45 h PRO 23 CO 0.00 0.21 0.18 -0.92 -0.21 0.00 0.00 178.00 177.26 3i45 h TYR 24 N 0.24 0.33 -0.71 0.65 3.20 -1.17 -0.97 116.97 118.54 3i45 h TYR 24 Ca 0.06 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3i45 h TYR 24 Cb 0.08 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 3i45 h TYR 24 CO 0.00 0.20 0.27 -0.09 -1.64 0.00 0.00 178.16 176.90 3i45 h ARG 25 N 0.36 1.06 -0.97 1.82 2.43 -0.64 -0.60 114.38 117.84 3i45 h ARG 25 Ca 0.11 -0.20 0.12 0.00 -0.81 0.00 0.00 59.98 59.20 3i45 h ARG 25 Cb -0.01 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.28 3i45 h ARG 25 CO -0.05 0.88 0.60 -0.91 -1.51 0.00 0.00 179.97 178.98 3i45 h ASN 26 N 1.02 0.86 -0.08 -3.80 2.35 -0.91 0.79 115.58 115.81 3i45 h ASN 26 Ca 0.23 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3i45 h ASN 26 Cb 0.23 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3i45 h ASN 26 CO -0.02 0.46 -0.01 1.23 -1.65 0.00 0.00 177.43 177.44 3i45 h GLY 27 N 0.94 0.15 1.83 2.83 0.00 -0.33 -1.25 103.07 107.24 3i45 h GLY 27 Ca 0.48 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 3i45 h GLY 27 CO -0.27 0.11 -0.48 0.11 0.00 0.00 0.00 176.54 176.01 3i45 h TRP 28 N -0.17 0.22 -0.45 5.60 5.08 -0.88 -2.27 115.95 123.09 3i45 h TRP 28 Ca 0.02 -0.07 -0.11 0.00 1.08 0.00 0.00 58.89 59.81 3i45 h TRP 28 Cb 0.37 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.47 3i45 h TRP 28 CO 0.04 0.63 -0.17 1.96 -1.28 0.00 0.00 178.44 179.61 3i45 h GLN 29 N 0.15 0.87 -0.43 0.12 4.20 -0.84 -1.12 115.11 118.06 3i45 h GLN 29 Ca 0.01 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.39 3i45 h GLN 29 Cb 0.90 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3i45 h GLN 29 CO 0.07 0.98 0.28 1.25 -0.67 0.00 0.00 178.83 180.74 3i45 h LEU 30 N 0.77 0.49 -0.26 1.46 5.85 -1.04 -0.60 115.31 121.99 3i45 h LEU 30 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i45 h LEU 30 Cb 0.71 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3i45 h LEU 30 CO 0.05 0.35 0.14 0.00 -0.34 0.00 0.00 178.44 178.65 3i45 h ALA 31 N 1.16 0.33 -0.55 1.25 0.00 -1.18 -1.58 119.26 118.69 3i45 h ALA 31 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3i45 h ALA 31 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3i45 h ALA 31 CO -0.04 -0.15 0.36 0.28 0.00 0.00 0.00 179.25 179.71 3i45 h VAL 32 N 0.31 1.14 -0.63 0.00 2.07 -0.99 -0.82 116.25 117.33 3i45 h VAL 32 Ca 0.09 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3i45 h VAL 32 Cb 0.05 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3i45 h VAL 32 CO -0.02 0.14 0.41 -0.33 0.02 0.00 0.00 177.57 177.79 3i45 h GLU 33 N 0.75 0.80 -0.55 1.57 5.08 -0.93 -1.46 114.58 119.84 3i45 h GLU 33 Ca 0.20 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3i45 h GLU 33 Cb -0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3i45 h GLU 33 CO -0.04 0.53 0.09 1.96 -1.00 0.00 0.00 179.01 180.54 3i45 h GLN 34 N 0.83 0.92 -0.42 2.33 4.20 -0.86 -0.86 115.11 121.25 3i45 h GLN 34 Ca 0.24 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3i45 h GLN 34 Cb -0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3i45 h GLN 34 CO -0.07 0.89 0.17 0.82 -0.67 0.00 0.00 178.83 179.97 3i45 h ILE 35 N 0.81 1.20 -0.37 2.54 2.04 -0.94 -1.61 117.51 121.18 3i45 h ILE 35 Ca 0.17 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.30 3i45 h ILE 35 Cb 0.41 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3i45 h ILE 35 CO 0.01 0.22 -0.24 0.78 0.00 0.00 0.00 178.15 178.93 3i45 h ASN 36 N 0.53 0.76 0.32 1.72 2.35 -1.17 -0.76 115.58 119.33 3i45 h ASN 36 Ca 0.14 -0.28 -0.06 0.00 -0.55 0.00 0.00 56.30 55.55 3i45 h ASN 36 Cb 0.19 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3i45 h ASN 36 CO -0.01 0.97 -0.29 0.00 -1.65 0.00 0.00 177.43 176.45 3i45 h ALA 37 N 1.08 1.47 -0.04 -0.83 0.00 -0.96 -2.22 119.26 117.76 3i45 h ALA 37 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i45 h ALA 37 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i45 h ALA 37 CO 0.06 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3i45 n ALA 38 N -2.46 2.60 0.00 0.00 0.00 -0.62 -4.86 120.51 115.16 3i45 n ALA 38 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3i45 n ALA 38 Cb 0.34 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3i45 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i45 n GLY 39 N 1.00 1.13 7.00 0.00 0.00 -0.84 -5.04 105.19 108.44 3i45 n GLY 39 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3i45 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i45 n GLY 40 N -0.24 0.01 3.22 -0.02 0.00 -0.31 -3.71 105.19 104.14 3i45 n GLY 40 Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 3i45 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i45 s LEU 41 N 0.00 2.46 -1.27 0.99 1.43 -0.04 -4.76 118.68 117.49 3i45 s LEU 41 Ca 0.00 -0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 3i45 s LEU 41 Cb 0.00 -0.38 -0.01 0.00 0.03 0.00 0.00 46.19 45.83 3i45 s LEU 41 CO 0.00 -0.26 0.64 0.18 0.23 0.00 0.00 176.35 177.14 3i45 n LEU 42 N 0.24 -2.72 0.00 1.79 4.32 -1.26 -0.33 117.00 119.04 3i45 n LEU 42 Ca -0.13 -0.97 0.00 0.00 -0.02 0.00 0.00 56.01 54.89 3i45 n LEU 42 Cb 0.59 -2.40 0.00 0.00 -1.62 0.00 0.00 43.42 39.99 3i45 n LEU 42 CO 0.29 0.44 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 3i45 n GLY 43 N -1.76 0.38 0.00 -0.72 0.00 -1.26 -4.15 105.19 97.68 3i45 n GLY 43 Ca -0.21 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3i45 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i45 n GLY 44 N -2.69 1.33 3.72 -0.02 0.00 -1.02 -5.09 105.19 101.42 3i45 n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i45 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i45 s ARG 45 N -0.35 4.46 0.38 1.61 0.52 0.55 -4.72 118.95 121.40 3i45 s ARG 45 Ca 0.00 1.79 -0.25 0.00 -0.52 0.00 0.00 55.73 56.75 3i45 s ARG 45 Cb 0.00 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 3i45 s ARG 45 CO 0.00 -0.19 1.08 -1.25 0.02 0.00 0.00 175.30 174.96 3i45 s PRO 46 N 0.65 4.21 -0.13 3.54 0.04 -1.26 -0.87 135.00 141.18 3i45 s PRO 46 Ca 0.57 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 3i45 s PRO 46 Cb -0.30 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 3i45 s PRO 46 CO 0.31 -0.13 0.53 -1.17 0.04 0.00 0.00 177.00 176.59 3i45 s LEU 47 N -2.42 4.24 -0.01 -3.56 2.96 -1.26 -0.64 118.68 118.00 3i45 s LEU 47 Ca 0.55 0.84 0.05 0.00 -0.22 0.00 0.00 54.13 55.36 3i45 s LEU 47 Cb -0.26 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 3i45 s LEU 47 CO 0.32 -0.08 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.50 3i45 s GLU 48 N 0.98 1.33 -0.15 1.98 2.02 0.10 -4.95 118.70 120.02 3i45 s GLU 48 Ca 0.28 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 54.66 3i45 s GLU 48 Cb -0.16 -1.29 -0.01 0.00 0.10 0.00 0.00 34.13 32.77 3i45 s GLU 48 CO 0.11 0.35 -0.14 0.08 0.02 0.00 0.00 175.26 175.69 3i45 s VAL 49 N -0.41 2.88 -0.25 2.63 1.01 -1.26 -0.94 120.40 124.05 3i45 s VAL 49 Ca 0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3i45 s VAL 49 Cb -0.06 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3i45 s VAL 49 CO -0.01 0.51 0.02 -0.63 0.00 0.00 0.00 175.10 174.99 3i45 s ILE 50 N 0.63 3.68 0.07 2.22 1.01 0.32 -4.95 121.20 124.18 3i45 s ILE 50 Ca -0.08 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.10 3i45 s ILE 50 Cb -0.16 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 3i45 s ILE 50 CO 0.03 0.27 -0.21 -0.55 0.00 0.00 0.00 174.94 174.48 3i45 s SER 51 N 1.49 3.64 0.05 3.58 0.15 -1.26 -0.79 113.70 120.56 3i45 s SER 51 Ca 0.04 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.18 3i45 s SER 51 Cb -0.16 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 3i45 s SER 51 CO -0.00 0.23 -0.06 -0.13 1.20 0.00 0.00 173.24 174.48 3i45 s ARG 52 N -1.60 0.53 0.13 5.44 1.81 0.28 -4.96 118.95 120.58 3i45 s ARG 52 Ca 0.15 -0.85 -0.22 0.00 -1.72 0.00 0.00 55.73 53.09 3i45 s ARG 52 Cb -0.10 -0.15 -0.07 0.00 -0.45 0.00 0.00 34.95 34.18 3i45 s ARG 52 CO 0.06 0.00 0.67 0.34 -0.68 0.00 0.00 175.30 175.69 3i45 s ASP 53 N -1.89 7.20 0.00 0.23 2.15 -1.26 -1.23 116.67 121.87 3i45 s ASP 53 Ca -0.07 1.44 0.19 0.00 0.43 0.00 0.00 52.55 54.54 3i45 s ASP 53 Cb -0.06 -2.42 0.09 0.00 -0.30 0.00 0.00 42.92 40.23 3i45 s ASP 53 CO -0.02 0.22 1.05 -0.90 -0.17 0.00 0.00 175.17 175.35 3i45 n ASP 54 N 1.54 2.30 -1.58 -0.34 5.68 -0.14 -4.82 116.55 119.19 3i45 n ASP 54 Ca -0.07 -1.65 -0.20 0.00 -0.50 0.00 0.00 54.79 52.37 3i45 n ASP 54 Cb 0.50 0.17 -0.09 0.00 -1.14 0.00 0.00 41.12 40.57 3i45 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i45 n GLY 55 N 1.14 1.90 2.42 6.12 0.00 -1.26 -0.98 105.19 114.54 3i45 n GLY 55 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3i45 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i45 n GLY 56 N -0.37 0.60 3.11 -0.02 0.00 -1.26 -4.95 105.19 102.30 3i45 n GLY 56 Ca -0.20 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 3i45 n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i45 s ASP 57 N -2.47 2.43 0.21 1.61 2.15 -0.15 -4.96 116.67 115.49 3i45 s ASP 57 Ca 0.00 -0.43 -0.10 0.00 0.43 0.00 0.00 52.55 52.45 3i45 s ASP 57 Cb 0.00 -1.11 0.18 0.00 -0.30 0.00 0.00 42.92 41.69 3i45 s ASP 57 CO 0.00 0.08 1.86 -0.65 -0.17 0.00 0.00 175.17 176.29 3i45 h PRO 58 N 6.97 0.91 -0.42 4.34 0.11 -1.88 -1.02 132.00 141.00 3i45 h PRO 58 Ca -0.26 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3i45 h PRO 58 Cb 1.21 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3i45 h PRO 58 CO 0.48 0.60 0.23 0.78 -0.21 0.00 0.00 178.00 179.88 3i45 h GLY 59 N 0.93 0.62 1.30 -0.55 0.00 -1.96 -1.55 103.07 101.87 3i45 h GLY 59 Ca 0.28 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3i45 h GLY 59 CO -0.09 0.27 0.05 0.50 0.00 0.00 0.00 176.54 177.27 3i45 h LYS 60 N 0.54 0.86 -0.54 4.80 1.57 -1.75 -1.66 116.57 120.38 3i45 h LYS 60 Ca 0.15 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3i45 h LYS 60 Cb 0.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3i45 h LYS 60 CO -0.02 0.83 0.20 0.00 -0.57 0.00 0.00 179.45 179.88 3i45 h ALA 61 N 1.24 0.71 -0.49 3.86 0.00 -0.85 -0.78 119.26 122.95 3i45 h ALA 61 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3i45 h ALA 61 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i45 h ALA 61 CO 0.01 0.34 0.00 0.28 0.00 0.00 0.00 179.25 179.89 3i45 h VAL 62 N 0.74 1.26 -0.64 0.00 2.07 -1.10 -0.45 116.25 118.13 3i45 h VAL 62 Ca 0.18 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.69 3i45 h VAL 62 Cb 0.23 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3i45 h VAL 62 CO -0.01 0.37 0.35 0.74 0.02 0.00 0.00 177.57 179.04 3i45 h THR 63 N 0.72 0.96 -0.58 2.57 2.02 -1.19 -0.79 112.91 116.63 3i45 h THR 63 Ca 0.14 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3i45 h THR 63 Cb 0.51 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3i45 h THR 63 CO 0.02 0.12 0.26 0.00 0.37 0.00 0.00 175.52 176.30 3i45 h ALA 64 N 1.34 0.75 -0.54 6.16 0.00 -0.82 -1.37 119.26 124.78 3i45 h ALA 64 Ca 0.29 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3i45 h ALA 64 Cb 0.18 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3i45 h ALA 64 CO -0.18 0.33 0.31 0.00 0.00 0.00 0.00 179.25 179.71 3i45 h ALA 65 N 1.10 0.70 -0.70 0.00 0.00 -0.63 0.27 119.26 120.00 3i45 h ALA 65 Ca 0.20 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3i45 h ALA 65 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3i45 h ALA 65 CO -0.02 0.01 0.29 0.37 0.00 0.00 0.00 179.25 179.90 3i45 h GLN 66 N 0.61 1.04 -0.56 0.00 5.75 -0.92 -1.57 115.11 119.47 3i45 h GLN 66 Ca 0.22 -0.18 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3i45 h GLN 66 Cb 0.06 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 3i45 h GLN 66 CO -0.12 0.85 0.09 1.49 -2.65 0.00 0.00 178.83 178.50 3i45 h GLU 67 N 1.00 0.93 -0.80 1.69 4.22 -0.87 -0.20 114.58 120.54 3i45 h GLU 67 Ca 0.23 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3i45 h GLU 67 Cb 0.19 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3i45 h GLU 67 CO -0.02 0.89 0.52 -0.07 -2.18 0.00 0.00 179.01 178.15 3i45 h LEU 68 N 0.82 0.94 -0.09 1.64 3.38 -0.64 0.42 115.31 121.77 3i45 h LEU 68 Ca 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3i45 h LEU 68 Cb 0.41 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i45 h LEU 68 CO 0.01 0.69 -0.04 -0.07 0.09 0.00 0.00 178.44 179.12 3i45 h LEU 69 N 1.09 0.20 0.00 1.67 3.38 -1.09 -2.22 115.31 118.35 3i45 h LEU 69 Ca 0.29 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3i45 h LEU 69 Cb -0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3i45 h LEU 69 CO -0.06 0.57 -0.94 0.71 0.09 0.00 0.00 178.44 178.81 3i45 h THR 70 N -0.17 0.19 0.00 0.22 1.35 -0.92 -2.19 112.91 111.40 3i45 h THR 70 Ca 0.02 -1.35 -0.14 0.00 -0.55 0.00 0.00 66.41 64.39 3i45 h THR 70 Cb 0.49 1.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 3i45 h THR 70 CO 0.01 0.11 -1.84 0.54 -0.25 0.00 0.00 175.52 174.09 3i45 n ARG 71 N -2.83 1.12 0.00 4.72 1.74 0.13 -4.69 116.66 116.85 3i45 n ARG 71 Ca -0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3i45 n ARG 71 Cb 0.64 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 3i45 n ARG 71 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i45 n HIS 72 N -2.30 0.00 -3.88 -1.55 8.25 -0.95 -5.03 115.22 109.76 3i45 n HIS 72 Ca -0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.03 3i45 n HIS 72 Cb 0.70 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.84 3i45 n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i45 n GLY 73 N 0.36 -0.48 3.75 -1.41 0.00 -0.82 -4.90 105.19 101.68 3i45 n GLY 73 Ca 0.00 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3i45 n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i45 s VAL 74 N -3.34 2.15 -0.64 1.61 -7.23 -1.12 -4.89 120.40 106.95 3i45 s VAL 74 Ca 0.60 0.11 0.24 0.00 -1.81 0.00 0.00 61.98 61.12 3i45 s VAL 74 Cb -0.30 -3.05 0.09 0.00 0.56 0.00 0.00 36.38 33.68 3i45 s VAL 74 CO 0.83 -0.01 1.38 0.45 -0.31 0.00 0.00 175.10 177.44 3i45 h HIS 75 N 1.15 0.00 -2.38 2.82 3.86 -0.88 -3.46 115.15 116.26 3i45 h HIS 75 Ca -0.51 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.73 3i45 h HIS 75 Cb 1.31 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.62 3i45 h HIS 75 CO 0.45 0.00 0.34 0.00 0.86 0.00 0.00 177.93 179.58 3i45 s ALA 76 N -3.16 -1.75 0.15 2.45 0.00 -1.23 -4.64 121.76 113.58 3i45 s ALA 76 Ca 0.07 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.05 3i45 s ALA 76 Cb 0.13 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 3i45 s ALA 76 CO 0.70 -0.60 0.11 -0.51 0.00 0.00 0.00 175.76 175.46 3i45 s LEU 77 N -2.13 3.75 0.08 0.00 1.43 0.50 -0.78 118.68 121.53 3i45 s LEU 77 Ca -0.01 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 52.78 3i45 s LEU 77 Cb -0.01 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.87 3i45 s LEU 77 CO -0.05 0.09 0.42 0.00 0.23 0.00 0.00 176.35 177.04 3i45 s ALA 78 N -1.67 -1.03 0.00 4.21 0.00 0.36 -0.85 121.76 122.78 3i45 s ALA 78 Ca 0.30 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.47 3i45 s ALA 78 Cb -0.10 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.51 3i45 s ALA 78 CO 0.23 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3i45 n GLY 79 N 0.20 0.38 0.95 0.00 0.00 -0.25 -1.47 105.19 105.00 3i45 n GLY 79 Ca -0.17 -1.60 0.11 0.00 0.00 0.00 0.00 46.02 44.36 3i45 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i45 n THR 80 N 0.00 -0.65 0.02 2.61 -2.24 0.16 -1.87 114.28 112.30 3i45 n THR 80 Ca 0.00 0.64 0.00 0.00 -2.27 0.00 0.00 64.05 62.42 3i45 n THR 80 Cb 0.00 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 3i45 n THR 80 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3i45 n PHE 81 N -3.54 -0.09 -2.85 4.78 7.35 -1.26 -3.07 117.46 118.79 3i45 n PHE 81 Ca -0.06 0.02 -0.40 0.00 -0.76 0.00 0.00 57.45 56.24 3i45 n PHE 81 Cb 0.45 0.07 -0.05 0.00 0.35 0.00 0.00 39.48 40.30 3i45 n PHE 81 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3i45 s LEU 82 N -6.16 4.55 0.23 -2.13 1.43 -1.26 -3.33 118.68 112.01 3i45 s LEU 82 Ca 0.00 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 3i45 s LEU 82 Cb 0.00 -3.44 0.31 0.00 0.03 0.00 0.00 46.19 43.08 3i45 s LEU 82 CO 0.00 0.07 1.84 0.28 0.23 0.00 0.00 176.35 178.78 3i45 h SER 83 N 4.96 0.78 0.66 2.29 0.02 -1.93 0.16 113.55 120.49 3i45 h SER 83 Ca -0.45 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.42 3i45 h SER 83 Cb 1.21 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3i45 h SER 83 CO 0.69 0.50 -0.50 1.12 -1.14 0.00 0.00 176.83 177.50 3i45 h HIS 84 N 0.91 0.00 -0.26 3.45 2.07 -1.95 -0.70 115.15 118.67 3i45 h HIS 84 Ca 0.35 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.79 3i45 h HIS 84 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 3i45 h HIS 84 CO -0.04 0.50 -0.17 0.28 -3.07 0.00 0.00 177.93 175.43 3i45 h VAL 85 N 0.00 1.31 -0.60 6.12 2.07 -1.63 -2.08 116.25 121.44 3i45 h VAL 85 Ca -0.00 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.27 3i45 h VAL 85 Cb 0.96 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 3i45 h VAL 85 CO 0.06 0.40 0.33 1.23 0.02 0.00 0.00 177.57 179.62 3i45 h GLY 86 N 0.29 0.86 1.01 2.17 0.00 -0.75 -0.91 103.07 105.75 3i45 h GLY 86 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.15 3i45 h GLY 86 CO 0.05 0.16 0.56 1.41 0.00 0.00 0.00 176.54 178.72 3i45 h LEU 87 N 0.64 1.05 -0.30 3.11 3.38 -1.02 0.73 115.31 122.90 3i45 h LEU 87 Ca 0.26 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3i45 h LEU 87 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3i45 h LEU 87 CO -0.15 0.78 -0.02 0.00 0.09 0.00 0.00 178.44 179.14 3i45 h ALA 88 N 1.31 0.40 -0.48 1.53 0.00 -0.78 -1.06 119.26 120.18 3i45 h ALA 88 Ca 0.32 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3i45 h ALA 88 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3i45 h ALA 88 CO -0.06 0.18 -0.06 0.28 0.00 0.00 0.00 179.25 179.58 3i45 h VAL 89 N 0.32 1.26 -0.69 0.00 2.07 -0.98 -2.19 116.25 116.03 3i45 h VAL 89 Ca 0.08 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 3i45 h VAL 89 Cb 0.47 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3i45 h VAL 89 CO 0.02 0.39 0.28 -1.28 0.02 0.00 0.00 177.57 177.01 3i45 h SER 90 N 0.77 0.95 -0.50 0.57 0.87 -0.64 0.30 113.55 115.87 3i45 h SER 90 Ca 0.14 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.43 3i45 h SER 90 Cb 0.54 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3i45 h SER 90 CO 0.03 0.85 -0.06 -0.78 -0.53 0.00 0.00 176.83 176.34 3i45 h ASP 91 N 0.98 0.94 -0.34 6.23 3.58 -1.02 -0.87 116.42 125.93 3i45 h ASP 91 Ca 0.23 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 3i45 h ASP 91 Cb 0.20 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3i45 h ASP 91 CO -0.02 1.03 0.17 0.15 -2.88 0.00 0.00 179.24 177.70 3i45 h PHE 92 N 0.87 0.48 -0.97 0.28 3.57 -1.06 -1.92 116.94 118.19 3i45 h PHE 92 Ca 0.15 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3i45 h PHE 92 Cb 0.59 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 3i45 h PHE 92 CO 0.04 0.40 0.63 0.00 -2.23 0.00 0.00 178.31 177.15 3i45 h ALA 93 N 1.03 1.29 -0.23 2.41 0.00 -0.68 -0.84 119.26 122.25 3i45 h ALA 93 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i45 h ALA 93 Cb 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3i45 h ALA 93 CO -0.02 0.65 0.12 -0.09 0.00 0.00 0.00 179.25 179.91 3i45 h ARG 94 N 1.32 0.25 -0.83 0.00 2.43 -0.95 0.12 114.38 116.71 3i45 h ARG 94 Ca 0.35 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.48 3i45 h ARG 94 Cb -0.14 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3i45 h ARG 94 CO -0.08 0.16 0.40 1.96 -1.51 0.00 0.00 179.97 180.91 3i45 h GLN 95 N 0.25 1.20 -0.00 0.20 4.20 -0.74 -2.78 115.11 117.44 3i45 h GLN 95 Ca 0.09 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3i45 h GLN 95 Cb 0.01 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3i45 h GLN 95 CO -0.06 0.92 -0.25 0.54 -0.67 0.00 0.00 178.83 179.31 3i45 n ARG 96 N -4.33 0.27 -3.57 1.46 5.12 -0.38 -4.96 116.66 110.28 3i45 n ARG 96 Ca 0.08 -0.11 -0.19 0.00 -1.93 0.00 0.00 57.85 55.69 3i45 n ARG 96 Cb 0.14 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.00 3i45 n ARG 96 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3i45 n LYS 97 N -1.27 -5.58 -4.62 5.56 5.02 0.35 -5.02 118.16 112.60 3i45 n LYS 97 Ca 0.09 0.73 -0.24 0.00 -2.02 0.00 0.00 58.31 56.87 3i45 n LYS 97 Cb 0.32 -5.49 -0.14 0.00 -0.02 0.00 0.00 35.03 29.70 3i45 n LYS 97 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i45 s VAL 98 N -3.52 1.45 0.24 -0.18 0.11 -0.84 -4.83 120.40 112.82 3i45 s VAL 98 Ca 0.02 -1.02 -0.31 0.00 -2.93 0.00 0.00 61.98 57.73 3i45 s VAL 98 Cb -0.00 -1.25 -0.12 0.00 -1.53 0.00 0.00 36.38 33.47 3i45 s VAL 98 CO 0.77 0.21 1.68 -0.11 -3.33 0.00 0.00 175.10 174.32 3i45 n LEU 99 N 2.08 4.13 -4.02 2.54 7.94 -1.26 -4.60 117.00 123.82 3i45 n LEU 99 Ca -0.17 1.09 -0.31 0.00 -1.11 0.00 0.00 56.01 55.51 3i45 n LEU 99 Cb 0.54 -1.58 -0.16 0.00 0.53 0.00 0.00 43.42 42.75 3i45 n LEU 99 CO 0.23 0.18 -0.46 0.12 -1.11 0.00 0.00 177.39 176.35 3i45 s PHE 100 N 0.78 2.65 -0.61 1.96 5.36 0.36 -0.37 117.98 128.11 3i45 s PHE 100 Ca 0.71 -1.79 -0.17 0.00 -0.96 0.00 0.00 56.93 54.73 3i45 s PHE 100 Cb -0.50 -1.73 0.13 0.00 -0.34 0.00 0.00 43.02 40.58 3i45 s PHE 100 CO 0.38 -0.79 0.64 1.41 -1.46 0.00 0.00 175.22 175.40 3i45 s MET 101 N 1.32 3.10 0.10 10.12 -2.45 -0.03 -1.51 119.30 129.95 3i45 s MET 101 Ca -0.03 -1.62 -0.31 0.00 -1.25 0.00 0.00 55.69 52.48 3i45 s MET 101 Cb -0.17 -4.32 -0.07 0.00 1.25 0.00 0.00 34.83 31.52 3i45 s MET 101 CO -0.08 -1.44 1.30 0.00 1.05 0.00 0.00 175.02 175.86 3i45 s ALA 102 N 1.97 3.50 -0.05 4.11 0.00 0.39 -1.09 121.76 130.59 3i45 s ALA 102 Ca 0.09 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 3i45 s ALA 102 Cb -0.24 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3i45 s ALA 102 CO 0.03 -0.53 -0.08 -1.13 0.00 0.00 0.00 175.76 174.05 3i45 n SER 103 N 3.78 0.62 -0.01 0.00 3.41 -0.78 -1.45 113.62 119.20 3i45 n SER 103 Ca 0.10 0.27 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 3i45 n SER 103 Cb 0.44 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 63.66 3i45 n SER 103 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i45 n GLU 104 N -3.08 0.81 -2.13 4.33 4.07 -1.17 -2.66 120.64 120.80 3i45 n GLU 104 Ca -0.03 -0.11 -0.41 0.00 -0.06 0.00 0.00 57.16 56.55 3i45 n GLU 104 Cb 0.12 -1.38 -0.03 0.00 -0.06 0.00 0.00 31.44 30.10 3i45 n GLU 104 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3i45 s PRO 105 N -3.01 4.35 -0.02 5.31 0.04 -1.21 -4.86 135.00 135.59 3i45 s PRO 105 Ca -0.02 2.17 0.19 0.00 0.04 0.00 0.00 61.00 63.38 3i45 s PRO 105 Cb 0.12 -3.14 -0.27 0.00 0.04 0.00 0.00 34.50 31.25 3i45 s PRO 105 CO 0.72 -0.28 0.56 1.28 0.04 0.00 0.00 177.00 179.32 3i45 n LEU 106 N 2.12 0.30 -4.71 -3.56 4.77 -1.26 -4.84 117.00 109.83 3i45 n LEU 106 Ca 0.05 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 3i45 n LEU 106 Cb 0.42 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3i45 n LEU 106 CO 0.59 0.08 1.08 1.07 -1.33 0.00 0.00 177.39 178.88 3i45 n THR 107 N -1.94 1.20 0.33 -5.08 5.66 -1.26 -0.46 114.28 112.73 3i45 n THR 107 Ca -0.01 -0.30 0.08 0.00 -3.05 0.00 0.00 64.05 60.77 3i45 n THR 107 Cb 0.44 -1.69 0.34 0.00 -1.55 0.00 0.00 70.33 67.87 3i45 n THR 107 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3i45 n ASP 108 N 1.85 0.27 0.26 1.09 5.68 -1.26 -2.44 116.55 122.00 3i45 n ASP 108 Ca 0.09 0.58 0.10 0.00 -0.50 0.00 0.00 54.79 55.06 3i45 n ASP 108 Cb 0.34 -0.63 0.71 0.00 -1.14 0.00 0.00 41.12 40.40 3i45 n ASP 108 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i45 h ALA 109 N 2.27 1.67 0.00 2.12 0.00 -1.94 0.50 119.26 123.89 3i45 h ALA 109 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i45 h ALA 109 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3i45 h ALA 109 CO 0.00 0.07 -0.14 -0.07 0.00 0.00 0.00 179.25 179.12 3i45 h LEU 110 N 0.00 0.00 0.00 0.00 3.38 -1.77 0.15 115.31 117.06 3i45 h LEU 110 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i45 h LEU 110 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3i45 h LEU 110 CO 0.01 0.14 -1.30 0.35 0.09 0.00 0.00 178.44 177.72 3i45 n THR 111 N -3.80 0.00 0.00 0.22 -2.24 -0.79 -3.94 114.28 103.73 3i45 n THR 111 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3i45 n THR 111 Cb 0.24 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3i45 n THR 111 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3i45 n TRP 112 N -1.74 0.00 -0.28 4.78 8.01 0.10 -4.42 117.44 123.89 3i45 n TRP 112 Ca -0.01 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.24 3i45 n TRP 112 Cb 0.20 0.00 0.21 0.00 -2.01 0.00 0.00 31.31 29.71 3i45 n TRP 112 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 3i45 h GLU 113 N 0.00 0.56 -0.30 -0.99 4.81 -1.66 -0.85 114.58 116.16 3i45 h GLU 113 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3i45 h GLU 113 Cb 0.00 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3i45 h GLU 113 CO 0.00 0.37 -0.00 1.63 -0.73 0.00 0.00 179.01 180.28 3i45 n LYS 114 N -4.90 2.54 -1.40 1.92 5.02 0.02 -4.32 118.16 117.04 3i45 n LYS 114 Ca 0.16 -2.94 -0.34 0.00 -2.02 0.00 0.00 58.31 53.17 3i45 n LYS 114 Cb 0.41 -1.84 0.10 0.00 -0.02 0.00 0.00 35.03 33.68 3i45 n LYS 114 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i45 s GLY 115 N -2.12 2.37 0.25 0.72 0.00 -0.32 -4.75 107.32 103.46 3i45 s GLY 115 Ca 0.43 0.92 -0.12 0.00 0.00 0.00 0.00 44.72 45.95 3i45 s GLY 115 CO 0.06 1.33 0.47 0.54 0.00 0.00 0.00 173.10 175.50 3i45 s ASN 116 N -1.98 -0.03 0.46 1.64 2.20 -1.26 -4.39 114.94 111.58 3i45 s ASN 116 Ca 0.75 -0.98 0.18 0.00 -0.94 0.00 0.00 52.86 51.87 3i45 s ASN 116 Cb -0.30 0.59 1.14 0.00 -2.00 0.00 0.00 41.25 40.67 3i45 s ASN 116 CO 0.46 -1.14 1.96 -0.09 -2.94 0.00 0.00 177.10 175.34 3i45 h ARG 117 N 2.26 0.29 -0.02 3.55 2.43 -1.96 -2.99 114.38 117.94 3i45 h ARG 117 Ca -0.27 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3i45 h ARG 117 Cb 1.25 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3i45 h ARG 117 CO 0.36 0.19 -0.33 0.66 -1.51 0.00 0.00 179.97 179.35 3i45 n TYR 118 N -4.45 0.00 -4.29 2.20 4.01 -1.26 -4.90 117.16 108.46 3i45 n TYR 118 Ca 0.12 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.52 3i45 n TYR 118 Cb 0.50 -0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 39.39 3i45 n TYR 118 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i45 s THR 119 N -2.34 3.32 0.24 -0.72 2.01 -1.13 -0.49 115.64 116.54 3i45 s THR 119 Ca 0.22 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.79 3i45 s THR 119 Cb 0.19 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 3i45 s THR 119 CO 0.49 0.47 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.38 3i45 s TYR 120 N 0.90 2.20 -0.07 4.92 2.02 -0.57 -4.67 117.35 122.07 3i45 s TYR 120 Ca -0.02 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 3i45 s TYR 120 Cb -0.15 -1.00 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3i45 s TYR 120 CO 0.01 0.59 0.19 0.50 -1.57 0.00 0.00 175.55 175.26 3i45 s ARG 121 N -3.24 0.19 -0.09 -0.62 3.00 -0.56 -0.46 118.95 117.17 3i45 s ARG 121 Ca 0.26 0.33 -0.03 0.00 -1.00 0.00 0.00 55.73 55.29 3i45 s ARG 121 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 34.95 34.89 3i45 s ARG 121 CO 0.12 -0.08 -0.06 1.25 0.00 0.00 0.00 175.30 176.54 3i45 h LEU 122 N 6.39 0.00-10.17 -0.88 5.85 -1.39 -1.02 115.31 114.09 3i45 h LEU 122 Ca -0.32 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.89 3i45 h LEU 122 Cb 1.18 0.00 0.11 0.00 0.37 0.00 0.00 40.66 42.32 3i45 h LEU 122 CO 0.40 0.45 0.40 -0.13 -0.34 0.00 0.00 178.44 179.21 3i45 s ARG 123 N -1.62 2.69 0.25 1.25 1.81 -1.09 -4.16 118.95 118.08 3i45 s ARG 123 Ca -0.05 1.56 -0.31 0.00 -1.72 0.00 0.00 55.73 55.22 3i45 s ARG 123 Cb 0.01 -1.92 -0.11 0.00 -0.45 0.00 0.00 34.95 32.47 3i45 s ARG 123 CO 0.07 -1.36 1.59 -1.25 -0.68 0.00 0.00 175.30 173.66 3i45 s PRO 124 N -3.87 4.16 0.98 3.54 0.04 -1.25 -4.86 135.00 133.75 3i45 s PRO 124 Ca 0.71 2.50 -0.15 0.00 0.04 0.00 0.00 61.00 64.10 3i45 s PRO 124 Cb -0.24 -3.07 0.19 0.00 0.04 0.00 0.00 34.50 31.42 3i45 s PRO 124 CO 0.40 -0.61 1.21 -1.54 0.04 0.00 0.00 177.00 176.49 3i45 s SER 125 N 0.71 2.89 0.20 6.66 1.04 -1.26 -4.69 113.70 119.25 3i45 s SER 125 Ca 0.66 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.57 3i45 s SER 125 Cb -0.46 -0.88 0.24 0.00 0.10 0.00 0.00 66.02 65.01 3i45 s SER 125 CO 0.41 -2.90 1.69 0.71 0.98 0.00 0.00 173.24 174.13 3i45 h THR 126 N -1.75 0.60 -0.16 2.02 1.35 -1.08 0.02 112.91 113.92 3i45 h THR 126 Ca -0.46 -0.05 0.02 0.00 -0.55 0.00 0.00 66.41 65.37 3i45 h THR 126 Cb 1.29 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 3i45 h THR 126 CO 0.47 0.03 0.01 0.22 -0.25 0.00 0.00 175.52 176.00 3i45 h TYR 127 N 0.16 0.01 -0.27 4.73 3.20 -1.88 0.80 116.97 123.72 3i45 h TYR 127 Ca 0.28 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3i45 h TYR 127 Cb 0.43 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3i45 h TYR 127 CO -0.30 -0.01 0.13 0.52 -1.64 0.00 0.00 178.16 176.86 3i45 h MET 128 N 0.07 0.39 -0.14 1.82 2.86 -1.65 0.10 114.93 118.38 3i45 h MET 128 Ca 0.07 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 3i45 h MET 128 Cb 0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3i45 h MET 128 CO -0.12 0.38 -0.57 1.96 1.06 0.00 0.00 176.91 179.62 3i45 h GLN 129 N 0.30 0.44 -0.42 1.72 4.20 -0.97 -2.52 115.11 117.86 3i45 h GLN 129 Ca 0.09 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 3i45 h GLN 129 Cb 0.12 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3i45 h GLN 129 CO -0.01 0.89 -0.02 0.00 -0.67 0.00 0.00 178.83 179.02 3i45 h ALA 130 N 1.05 1.19 -0.69 3.87 0.00 -0.54 -1.49 119.26 122.66 3i45 h ALA 130 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3i45 h ALA 130 Cb 1.10 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3i45 h ALA 130 CO 0.10 0.53 0.30 0.00 0.00 0.00 0.00 179.25 180.18 3i45 h ALA 131 N 1.34 0.89 -0.33 0.00 0.00 -0.57 0.36 119.26 120.96 3i45 h ALA 131 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i45 h ALA 131 Cb 0.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3i45 h ALA 131 CO 0.02 0.48 0.19 0.52 0.00 0.00 0.00 179.25 180.46 3i45 h MET 132 N 0.97 0.45 -0.02 0.00 2.07 -1.07 -1.89 114.93 115.43 3i45 h MET 132 Ca 0.23 -0.05 -0.25 0.00 -2.07 0.00 0.00 59.70 57.57 3i45 h MET 132 Cb 0.17 -0.09 0.01 0.00 -1.87 0.00 0.00 31.60 29.82 3i45 h MET 132 CO -0.02 0.36 -0.96 -0.07 1.07 0.00 0.00 176.91 177.28 3i45 h LEU 133 N 0.41 0.78 -0.91 1.22 3.38 -1.05 -3.02 115.31 116.12 3i45 h LEU 133 Ca 0.12 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3i45 h LEU 133 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3i45 h LEU 133 CO -0.02 1.40 0.34 0.00 0.09 0.00 0.00 178.44 180.25 3i45 h ALA 134 N 0.55 1.14 -0.94 1.53 0.00 -0.27 -0.20 119.26 121.07 3i45 h ALA 134 Ca -0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i45 h ALA 134 Cb 1.60 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3i45 h ALA 134 CO 0.18 0.63 0.57 0.00 0.00 0.00 0.00 179.25 180.64 3i45 h ALA 135 N 1.26 1.23 -0.26 0.00 0.00 -1.31 0.15 119.26 120.33 3i45 h ALA 135 Ca 0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3i45 h ALA 135 Cb 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3i45 h ALA 135 CO -0.03 0.66 -0.05 0.93 0.00 0.00 0.00 179.25 180.76 3i45 h GLU 136 N 1.30 0.50 -0.68 0.00 4.39 -1.31 -3.15 114.58 115.63 3i45 h GLU 136 Ca 0.34 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.87 3i45 h GLU 136 Cb -0.06 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 3i45 h GLU 136 CO -0.06 0.71 0.45 0.00 -1.16 0.00 0.00 179.01 178.94 3i45 h ALA 137 N 0.78 1.54 0.00 3.43 0.00 -0.62 -2.17 119.26 122.22 3i45 h ALA 137 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i45 h ALA 137 Cb 0.52 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i45 h ALA 137 CO 0.02 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.67 3i45 h ALA 138 N 1.58 1.08 -0.00 0.00 0.00 -0.68 -1.96 119.26 119.29 3i45 h ALA 138 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i45 h ALA 138 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i45 h ALA 138 CO -0.06 0.03 -0.20 1.63 0.00 0.00 0.00 179.25 180.64 3i45 n LYS 139 N -3.23 0.10 -3.09 0.00 5.02 -0.82 -4.86 118.16 111.28 3i45 n LYS 139 Ca -0.02 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 3i45 n LYS 139 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 3i45 n LYS 139 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i45 s LEU 140 N -2.92 4.42 -0.32 -0.35 1.43 -0.74 -4.95 118.68 115.24 3i45 s LEU 140 Ca 0.15 1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.48 3i45 s LEU 140 Cb 0.19 -3.07 -0.15 0.00 0.03 0.00 0.00 46.19 43.19 3i45 s LEU 140 CO 0.59 0.04 3.28 -0.81 0.23 0.00 0.00 176.35 179.68 3i45 n PRO 141 N 2.88 2.37 -4.25 1.29 -0.04 -1.26 -4.79 135.00 131.20 3i45 n PRO 141 Ca -0.04 -1.58 -0.14 0.00 -0.04 0.00 0.00 63.50 61.69 3i45 n PRO 141 Cb 0.51 -2.14 -0.10 0.00 -0.04 0.00 0.00 33.50 31.73 3i45 n PRO 141 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i45 s ILE 142 N 0.12 1.09 0.00 0.52 -4.36 -1.26 -5.09 121.20 112.22 3i45 s ILE 142 Ca 0.65 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 3i45 s ILE 142 Cb 0.32 -1.92 0.00 0.00 1.25 0.00 0.00 42.46 42.11 3i45 s ILE 142 CO -0.07 -0.69 0.00 0.35 0.24 0.00 0.00 174.94 174.77 3i45 n THR 143 N -0.22 0.00 -3.31 8.37 -2.24 -1.26 -4.98 114.28 110.64 3i45 n THR 143 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3i45 n THR 143 Cb 0.61 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 68.98 3i45 n THR 143 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i45 s ARG 144 N -1.16 3.29 0.04 -0.78 0.52 -1.26 -1.04 118.95 118.56 3i45 s ARG 144 Ca 0.00 -0.57 0.07 0.00 -0.52 0.00 0.00 55.73 54.72 3i45 s ARG 144 Cb 0.00 -3.91 -0.03 0.00 0.52 0.00 0.00 34.95 31.53 3i45 s ARG 144 CO 0.00 -0.76 -0.20 -1.58 0.02 0.00 0.00 175.30 172.78 3i45 s TRP 145 N 2.20 2.51 0.09 -0.53 0.52 0.01 -0.35 118.94 123.39 3i45 s TRP 145 Ca 0.14 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 56.05 3i45 s TRP 145 Cb -0.16 -1.45 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 3i45 s TRP 145 CO 0.14 0.22 -0.21 0.00 0.02 0.00 0.00 176.95 177.12 3i45 s ALA 146 N -0.89 1.82 0.15 0.98 0.00 -0.42 -0.17 121.76 123.23 3i45 s ALA 146 Ca 0.14 -1.22 0.10 0.00 0.00 0.00 0.00 51.96 50.98 3i45 s ALA 146 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3i45 s ALA 146 CO 0.04 0.38 -0.20 0.95 0.00 0.00 0.00 175.76 176.93 3i45 s THR 147 N -1.09 2.66 -0.08 0.00 -4.23 -0.53 -0.61 115.64 111.76 3i45 s THR 147 Ca 0.07 -1.71 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 3i45 s THR 147 Cb -0.10 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.54 3i45 s THR 147 CO 0.04 0.01 0.18 -0.51 -0.54 0.00 0.00 174.62 173.79 3i45 s ILE 148 N -1.35 -0.05 -0.03 2.99 2.07 -0.29 -0.71 121.20 123.83 3i45 s ILE 148 Ca 0.19 0.17 -0.26 0.00 -1.41 0.00 0.00 60.65 59.33 3i45 s ILE 148 Cb -0.09 -0.28 0.06 0.00 0.13 0.00 0.00 42.46 42.27 3i45 s ILE 148 CO 0.10 0.07 0.57 0.00 -1.91 0.00 0.00 174.94 173.77 3i45 s ALA 149 N 1.18 -1.49 0.26 1.50 0.00 -0.92 -0.95 121.76 121.34 3i45 s ALA 149 Ca -0.09 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3i45 s ALA 149 Cb -0.11 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 3i45 s ALA 149 CO -0.07 -0.36 1.31 -1.25 0.00 0.00 0.00 175.76 175.40 3i45 s PRO 150 N -1.35 4.38 -1.25 0.00 0.04 -1.26 -3.52 135.00 132.04 3i45 s PRO 150 Ca -0.11 2.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 3i45 s PRO 150 Cb -0.01 -3.14 0.15 0.00 0.04 0.00 0.00 34.50 31.54 3i45 s PRO 150 CO 0.07 -0.22 1.62 -1.71 0.04 0.00 0.00 177.00 176.80 3i45 n ASN 151 N 1.82 5.08 -2.55 6.66 5.15 0.32 -3.48 115.26 128.28 3i45 n ASN 151 Ca 0.03 -2.99 -0.09 0.00 -0.60 0.00 0.00 54.58 50.93 3i45 n ASN 151 Cb 0.42 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 3i45 n ASN 151 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i45 n TYR 152 N 5.76 -1.80 -0.30 1.20 0.18 -1.26 -4.68 117.16 116.26 3i45 n TYR 152 Ca 0.40 -1.70 0.08 0.00 1.88 0.00 0.00 57.90 58.56 3i45 n TYR 152 Cb 0.42 0.65 0.20 0.00 -0.38 0.00 0.00 39.34 40.22 3i45 n TYR 152 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 3i45 h GLU 153 N 0.00 0.06 0.21 -3.48 4.57 -1.97 -0.60 114.58 113.37 3i45 h GLU 153 Ca -0.26 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3i45 h GLU 153 Cb 1.01 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3i45 h GLU 153 CO 0.33 0.04 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.19 3i45 h TYR 154 N 0.06 -0.26 -0.68 0.92 3.20 -1.94 -0.76 116.97 117.52 3i45 h TYR 154 Ca 0.48 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.27 3i45 h TYR 154 Cb 0.89 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 3i45 h TYR 154 CO -0.48 -0.09 0.14 0.78 -1.64 0.00 0.00 178.16 176.87 3i45 h GLY 155 N -0.36 1.19 0.93 1.82 0.00 -1.36 -0.58 103.07 104.71 3i45 h GLY 155 Ca -0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 3i45 h GLY 155 CO 0.05 0.71 0.09 1.46 0.00 0.00 0.00 176.54 178.84 3i45 h GLN 156 N 1.04 0.24 -0.26 4.80 4.20 -1.05 -1.61 115.11 122.48 3i45 h GLN 156 Ca 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3i45 h GLN 156 Cb 0.40 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3i45 h GLN 156 CO 0.01 0.25 0.08 1.03 -0.67 0.00 0.00 178.83 179.53 3i45 h SER 157 N 0.16 0.38 -0.42 1.46 0.87 -0.99 -1.16 113.55 113.86 3i45 h SER 157 Ca 0.06 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3i45 h SER 157 Cb 0.09 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 3i45 h SER 157 CO -0.01 0.48 0.17 0.00 -0.53 0.00 0.00 176.83 176.94 3i45 h ALA 158 N 0.91 0.51 -0.23 6.23 0.00 -0.99 -0.44 119.26 125.25 3i45 h ALA 158 Ca 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i45 h ALA 158 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i45 h ALA 158 CO -0.00 -0.21 -0.09 0.28 0.00 0.00 0.00 179.25 179.22 3i45 h VAL 159 N 0.34 1.30 -0.66 0.00 2.07 -1.27 -1.12 116.25 116.90 3i45 h VAL 159 Ca 0.19 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.63 3i45 h VAL 159 Cb 0.16 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3i45 h VAL 159 CO -0.18 0.35 0.36 0.00 0.02 0.00 0.00 177.57 178.13 3i45 h ALA 160 N 0.73 0.88 -0.28 1.67 0.00 -0.90 -0.86 119.26 120.50 3i45 h ALA 160 Ca 0.05 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3i45 h ALA 160 Cb 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i45 h ALA 160 CO 0.03 0.03 -0.32 0.00 0.00 0.00 0.00 179.25 179.00 3i45 h ARG 161 N 0.67 0.72 -0.44 0.00 2.47 -1.00 -1.43 114.38 115.36 3i45 h ARG 161 Ca 0.30 -0.39 0.03 0.00 -1.26 0.00 0.00 59.98 58.66 3i45 h ARG 161 Cb 0.19 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3i45 h ARG 161 CO -0.19 1.01 0.24 0.35 0.56 0.00 0.00 179.97 181.94 3i45 h PHE 162 N 0.46 0.44 -0.01 3.04 3.57 -0.91 -0.55 116.94 122.97 3i45 h PHE 162 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3i45 h PHE 162 Cb 0.89 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3i45 h PHE 162 CO 0.07 0.24 0.01 0.87 -2.23 0.00 0.00 178.31 177.27 3i45 h LYS 163 N 0.48 0.02 -0.16 1.11 1.57 -1.10 0.10 116.57 118.59 3i45 h LYS 163 Ca 0.18 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3i45 h LYS 163 Cb 0.06 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3i45 h LYS 163 CO -0.11 0.06 -0.09 0.93 -0.57 0.00 0.00 179.45 179.67 3i45 h GLU 164 N -0.02 -0.08 -0.15 3.15 5.08 -1.03 -0.33 114.58 121.20 3i45 h GLU 164 Ca 0.01 0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3i45 h GLU 164 Cb 0.04 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3i45 h GLU 164 CO -0.00 -0.05 -0.68 -0.07 -1.00 0.00 0.00 179.01 177.21 3i45 h LEU 165 N -0.08 0.72 -0.22 1.33 3.38 -1.01 -1.54 115.31 117.89 3i45 h LEU 165 Ca 0.09 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3i45 h LEU 165 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3i45 h LEU 165 CO -0.21 1.20 -0.09 0.25 0.09 0.00 0.00 178.44 179.69 3i45 h LEU 166 N 0.44 0.46 -1.33 1.67 5.85 -0.91 -2.85 115.31 118.65 3i45 h LEU 166 Ca -0.02 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3i45 h LEU 166 Cb 1.27 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3i45 h LEU 166 CO 0.13 0.75 0.13 -0.07 -0.34 0.00 0.00 178.44 179.05 3i45 h LEU 167 N 0.17 0.53 -0.85 2.25 3.38 -1.02 0.14 115.31 119.92 3i45 h LEU 167 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i45 h LEU 167 Cb 0.57 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3i45 h LEU 167 CO 0.03 0.51 0.34 0.00 0.09 0.00 0.00 178.44 179.41 3i45 h ALA 168 N 1.57 1.09 0.02 1.53 0.00 -1.22 -2.40 119.26 119.83 3i45 h ALA 168 Ca 0.14 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3i45 h ALA 168 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3i45 h ALA 168 CO -0.01 0.66 -0.95 0.00 0.00 0.00 0.00 179.25 178.95 3i45 h ALA 169 N 1.21 0.44 -2.44 0.00 0.00 -1.16 -3.41 119.26 113.90 3i45 h ALA 169 Ca 0.27 -0.82 -0.59 0.00 0.00 0.00 0.00 54.91 53.77 3i45 h ALA 169 Cb 0.18 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 17.48 3i45 h ALA 169 CO -0.03 1.09 -0.94 1.03 0.00 0.00 0.00 179.25 180.40 3i45 s ARG 170 N -2.92 0.85 0.60 0.00 1.81 0.43 -4.99 118.95 114.72 3i45 s ARG 170 Ca -0.01 -1.95 0.40 0.00 -1.72 0.00 0.00 55.73 52.46 3i45 s ARG 170 Cb 0.10 -1.44 2.09 0.00 -0.45 0.00 0.00 34.95 35.25 3i45 s ARG 170 CO 0.82 -1.34 2.21 -1.35 -0.68 0.00 0.00 175.30 174.96 3i45 h PRO 171 N 5.98 0.00 -0.00 3.54 0.11 -1.68 -1.52 132.00 138.43 3i45 h PRO 171 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3i45 h PRO 171 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3i45 h PRO 171 CO 0.35 0.00 -0.09 -0.85 -0.21 0.00 0.00 178.00 177.20 3i45 n GLU 172 N -2.96 0.22 -1.85 1.05 0.00 -1.26 -4.88 120.64 110.96 3i45 n GLU 172 Ca -0.02 -0.04 -0.40 0.00 0.00 0.00 0.00 57.16 56.70 3i45 n GLU 172 Cb 0.10 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.05 3i45 n GLU 172 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3i45 s VAL 173 N -2.81 2.17 0.02 3.84 1.01 -0.57 -4.94 120.40 119.13 3i45 s VAL 173 Ca 0.20 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3i45 s VAL 173 Cb 0.19 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3i45 s VAL 173 CO 0.53 0.03 -0.19 0.42 0.00 0.00 0.00 175.10 175.88 3i45 s THR 174 N -1.20 1.56 -0.40 3.92 -4.23 -0.21 -5.01 115.64 110.07 3i45 s THR 174 Ca 0.59 -1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 59.92 3i45 s THR 174 Cb -0.43 -1.34 0.03 0.00 1.34 0.00 0.00 72.50 72.10 3i45 s THR 174 CO 0.56 0.27 0.28 -0.36 -0.54 0.00 0.00 174.62 174.82 3i45 s PHE 175 N -0.68 3.24 -0.70 3.99 0.08 -1.26 -0.81 117.98 121.85 3i45 s PHE 175 Ca 0.07 -0.76 0.22 0.00 0.12 0.00 0.00 56.93 56.58 3i45 s PHE 175 Cb -0.08 -2.59 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 3i45 s PHE 175 CO 0.01 -0.63 0.97 1.33 -0.10 0.00 0.00 175.22 176.80 3i45 n VAL 176 N 5.10 0.08 -3.52 -0.44 0.24 0.76 -4.94 118.33 115.62 3i45 n VAL 176 Ca -0.11 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 61.85 3i45 n VAL 176 Cb 0.46 0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 33.20 3i45 n VAL 176 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i45 s ALA 177 N -3.15 -1.78 -0.02 2.33 0.00 -1.25 -4.87 121.76 113.01 3i45 s ALA 177 Ca 0.04 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.28 3i45 s ALA 177 Cb 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3i45 s ALA 177 CO 0.82 -0.41 -0.02 -1.83 0.00 0.00 0.00 175.76 174.32 3i45 s GLU 178 N -1.48 0.45 -0.02 0.00 -1.05 -1.26 -1.45 118.70 113.87 3i45 s GLU 178 Ca -0.08 -0.04 0.08 0.00 -0.15 0.00 0.00 54.97 54.77 3i45 s GLU 178 Cb -0.00 -0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 33.15 3i45 s GLU 178 CO 0.06 -0.05 -0.26 -0.65 0.95 0.00 0.00 175.26 175.31 3i45 s GLN 179 N 0.63 2.17 -0.44 -4.83 -1.52 0.11 -4.97 119.66 110.81 3i45 s GLN 179 Ca -0.07 -0.93 0.09 0.00 -1.95 0.00 0.00 55.36 52.50 3i45 s GLN 179 Cb -0.10 -2.06 0.31 0.00 -0.22 0.00 0.00 33.01 30.94 3i45 s GLN 179 CO -0.01 0.54 0.70 0.91 -0.25 0.00 0.00 175.29 177.18 3i45 n TRP 180 N 2.50 0.95 -1.84 0.91 7.02 -1.26 -2.18 117.44 123.54 3i45 n TRP 180 Ca -0.16 -3.80 -0.38 0.00 -1.02 0.00 0.00 57.50 52.14 3i45 n TRP 180 Cb 0.51 -0.42 0.04 0.00 -2.42 0.00 0.00 31.31 29.02 3i45 n TRP 180 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3i45 s PRO 181 N -2.19 3.00 0.48 -0.99 0.04 -1.23 -4.54 135.00 129.57 3i45 s PRO 181 Ca 0.40 2.10 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 3i45 s PRO 181 Cb 0.26 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 3i45 s PRO 181 CO -0.09 -1.26 1.26 0.00 0.04 0.00 0.00 177.00 176.96 3i45 s ALA 182 N -1.39 2.99 0.07 8.56 0.00 -1.26 -0.52 121.76 130.22 3i45 s ALA 182 Ca 0.75 1.14 -0.35 0.00 0.00 0.00 0.00 51.96 53.50 3i45 s ALA 182 Cb -0.37 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.13 3i45 s ALA 182 CO 0.42 -0.94 1.53 -0.11 0.00 0.00 0.00 175.76 176.66 3i45 n LEU 183 N -0.52 2.51 -1.25 0.00 7.94 -1.26 -1.36 117.00 123.06 3i45 n LEU 183 Ca 0.07 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.90 3i45 n LEU 183 Cb 0.46 -1.31 -0.07 0.00 0.53 0.00 0.00 43.42 43.03 3i45 n LEU 183 CO 0.51 -0.57 -0.16 -1.22 -1.11 0.00 0.00 177.39 174.85 3i45 n TYR 184 N 3.54 0.00 -2.55 1.96 0.53 -1.26 -4.83 117.16 114.55 3i45 n TYR 184 Ca 0.19 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 57.04 3i45 n TYR 184 Cb 0.24 -2.93 0.05 0.00 -1.03 0.00 0.00 39.34 35.66 3i45 n TYR 184 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3i45 n LYS 185 N -2.22 1.62 -1.92 -0.72 4.76 -0.47 -5.00 118.16 114.20 3i45 n LYS 185 Ca -0.16 -3.25 -0.42 0.00 -2.87 0.00 0.00 58.31 51.60 3i45 n LYS 185 Cb 0.57 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 3i45 n LYS 185 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3i45 s LEU 186 N -2.86 4.37 -0.76 -0.35 2.96 -1.25 -4.45 118.68 116.34 3i45 s LEU 186 Ca 0.33 2.54 -0.15 0.00 -0.22 0.00 0.00 54.13 56.63 3i45 s LEU 186 Cb 0.35 -3.57 0.20 0.00 0.50 0.00 0.00 46.19 43.67 3i45 s LEU 186 CO -0.06 -0.87 0.72 -0.62 -1.32 0.00 0.00 176.35 174.20 3i45 s ASP 187 N 1.99 6.63 0.09 3.68 2.15 -1.26 -4.97 116.67 124.98 3i45 s ASP 187 Ca 0.73 -2.46 -0.20 0.00 0.43 0.00 0.00 52.55 51.05 3i45 s ASP 187 Cb -0.41 -2.22 -0.09 0.00 -0.30 0.00 0.00 42.92 39.90 3i45 s ASP 187 CO 0.32 -0.65 1.60 0.00 -0.17 0.00 0.00 175.17 176.26 3i45 h ALA 188 N 8.07 0.28 0.24 3.66 0.00 -1.92 -2.86 119.26 126.72 3i45 h ALA 188 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i45 h ALA 188 Cb 1.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3i45 h ALA 188 CO 0.83 -0.09 -0.44 0.78 0.00 0.00 0.00 179.25 180.32 3i45 h GLY 189 N 0.17 -1.18 1.55 0.00 0.00 -1.95 0.24 103.07 101.90 3i45 h GLY 189 Ca 0.07 0.60 -0.04 0.00 0.00 0.00 0.00 47.33 47.96 3i45 h GLY 189 CO -0.00 -0.32 0.07 -2.55 0.00 0.00 0.00 176.54 173.73 3i45 h PRO 190 N -0.73 0.57 -0.16 4.80 0.11 -2.00 -1.49 132.00 133.09 3i45 h PRO 190 Ca -0.03 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3i45 h PRO 190 Cb 0.69 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3i45 h PRO 190 CO -0.17 0.55 -0.00 1.15 -0.21 0.00 0.00 178.00 179.32 3i45 h THR 191 N 0.56 1.26 -0.54 -1.15 2.02 -1.27 -1.18 112.91 112.61 3i45 h THR 191 Ca 0.13 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3i45 h THR 191 Cb 0.25 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3i45 h THR 191 CO 0.00 0.26 0.36 0.58 0.37 0.00 0.00 175.52 177.08 3i45 h VAL 192 N 0.03 1.13 -0.88 3.16 2.07 -0.76 -2.34 116.25 118.66 3i45 h VAL 192 Ca 0.05 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3i45 h VAL 192 Cb 0.39 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3i45 h VAL 192 CO 0.01 0.13 0.57 -0.61 0.02 0.00 0.00 177.57 177.69 3i45 h GLN 193 N 0.73 1.16 -0.92 1.57 5.75 -1.14 -0.91 115.11 121.35 3i45 h GLN 193 Ca 0.20 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 3i45 h GLN 193 Cb -0.08 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.17 3i45 h GLN 193 CO -0.05 0.78 0.52 0.00 -2.65 0.00 0.00 178.83 177.43 3i45 h ALA 194 N 1.32 1.17 -0.25 3.38 0.00 -0.88 -0.38 119.26 123.63 3i45 h ALA 194 Ca 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3i45 h ALA 194 Cb -0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.29 3i45 h ALA 194 CO -0.07 0.67 0.05 -0.07 0.00 0.00 0.00 179.25 179.83 3i45 h LEU 195 N 1.28 0.38 -0.81 0.00 3.38 -0.96 -3.10 115.31 115.47 3i45 h LEU 195 Ca 0.32 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3i45 h LEU 195 Cb 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3i45 h LEU 195 CO -0.05 0.53 0.54 1.56 0.09 0.00 0.00 178.44 181.10 3i45 h GLN 196 N 0.22 1.06 -0.40 1.13 4.20 -0.81 -2.76 115.11 117.74 3i45 h GLN 196 Ca 0.08 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.80 3i45 h GLN 196 Cb 0.30 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3i45 h GLN 196 CO 0.00 0.70 0.28 0.37 -0.67 0.00 0.00 178.83 179.51 3i45 h GLN 197 N 1.09 0.19 -0.00 1.46 4.15 -1.00 -1.43 115.11 119.56 3i45 h GLN 197 Ca 0.30 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.71 3i45 h GLN 197 Cb -0.11 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3i45 h GLN 197 CO -0.07 0.12 -0.03 0.00 -1.93 0.00 0.00 178.83 176.92 3i45 n ALA 198 N -2.56 2.65 -3.85 3.38 0.00 -1.04 -4.96 120.51 114.13 3i45 n ALA 198 Ca 0.06 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 3i45 n ALA 198 Cb 0.34 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.37 3i45 n ALA 198 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i45 n GLU 199 N -0.95 -2.56 -1.71 0.00 1.02 -0.54 -4.91 120.64 111.00 3i45 n GLU 199 Ca 0.18 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.42 3i45 n GLU 199 Cb 0.22 -4.34 0.04 0.00 -0.02 0.00 0.00 31.44 27.34 3i45 n GLU 199 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3i45 s PRO 200 N -6.37 2.95 -0.11 3.49 0.04 -1.26 -4.98 135.00 128.77 3i45 s PRO 200 Ca 0.18 1.13 0.12 0.00 0.04 0.00 0.00 61.00 62.47 3i45 s PRO 200 Cb -0.07 -1.99 -0.24 0.00 0.04 0.00 0.00 34.50 32.25 3i45 s PRO 200 CO 0.88 -1.10 0.42 0.39 0.04 0.00 0.00 177.00 177.63 3i45 n GLU 201 N -2.71 0.66 -4.21 4.56 1.02 0.52 -4.98 120.64 115.51 3i45 n GLU 201 Ca 0.09 0.20 -0.20 0.00 -0.02 0.00 0.00 57.16 57.23 3i45 n GLU 201 Cb 0.53 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 3i45 n GLU 201 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i45 s GLY 202 N -5.33 0.94 -0.06 0.62 0.00 -0.31 -2.22 107.32 100.95 3i45 s GLY 202 Ca -0.09 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 43.64 3i45 s GLY 202 CO 0.81 -1.06 -0.22 1.08 0.00 0.00 0.00 173.10 173.71 3i45 s LEU 203 N -1.74 2.01 -0.24 0.66 1.43 0.42 -1.30 118.68 119.92 3i45 s LEU 203 Ca -0.00 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 3i45 s LEU 203 Cb -0.10 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.89 3i45 s LEU 203 CO 0.03 0.20 -0.01 0.12 0.23 0.00 0.00 176.35 176.91 3i45 s PHE 204 N -0.01 3.02 -0.06 0.29 5.36 0.22 -0.55 117.98 126.25 3i45 s PHE 204 Ca -0.06 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 54.91 3i45 s PHE 204 Cb -0.14 -2.14 -0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3i45 s PHE 204 CO 0.04 -0.57 -0.12 1.21 -1.46 0.00 0.00 175.22 174.32 3i45 s ASN 205 N 1.46 4.24 0.00 6.13 2.47 0.26 -1.14 114.94 128.36 3i45 s ASN 205 Ca 0.04 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.18 3i45 s ASN 205 Cb -0.15 -0.99 0.00 0.00 -1.45 0.00 0.00 41.25 38.65 3i45 s ASN 205 CO -0.02 0.34 0.30 0.52 -3.72 0.00 0.00 177.10 174.52 3i45 n VAL 206 N 2.34 0.00 -1.77 -5.21 0.31 -0.12 -1.47 118.33 112.41 3i45 n VAL 206 Ca -0.17 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.29 3i45 n VAL 206 Cb 0.52 1.05 0.01 0.00 -0.91 0.00 0.00 33.84 34.51 3i45 n VAL 206 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i45 n LEU 207 N -0.33 4.95 -4.23 7.52 4.77 -1.26 -4.63 117.00 123.79 3i45 n LEU 207 Ca 0.00 1.19 -0.18 0.00 -0.03 0.00 0.00 56.01 56.99 3i45 n LEU 207 Cb 0.01 -1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 39.41 3i45 n LEU 207 CO 0.00 0.08 -0.03 0.72 -1.33 0.00 0.00 177.39 176.83 3i45 s PHE 208 N -1.14 1.57 0.00 -1.77 -0.12 -1.26 -4.65 117.98 110.60 3i45 s PHE 208 Ca 0.56 -1.57 0.00 0.00 -0.05 0.00 0.00 56.93 55.87 3i45 s PHE 208 Cb -0.46 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.40 3i45 s PHE 208 CO 0.62 -0.96 0.00 0.41 -0.05 0.00 0.00 175.22 175.24 3i45 n GLY 209 N -0.61 2.80 0.29 1.99 0.00 -1.26 -2.27 105.19 106.12 3i45 n GLY 209 Ca 0.06 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.90 3i45 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i45 h ALA 210 N -0.78 2.01 -0.06 4.61 0.00 -1.98 -2.41 119.26 120.66 3i45 h ALA 210 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3i45 h ALA 210 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i45 h ALA 210 CO 0.00 -0.11 -0.50 -0.44 0.00 0.00 0.00 179.25 178.19 3i45 h ASP 211 N 0.00 0.15 0.09 0.00 3.32 -1.84 -3.37 116.42 114.78 3i45 h ASP 211 Ca 0.04 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3i45 h ASP 211 Cb 0.18 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i45 h ASP 211 CO -0.00 0.63 -0.04 0.25 -1.72 0.00 0.00 179.24 178.36 3i45 h LEU 212 N 0.11 -0.11 -1.52 1.55 5.85 -1.38 -2.40 115.31 117.41 3i45 h LEU 212 Ca 0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3i45 h LEU 212 Cb 0.93 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3i45 h LEU 212 CO 0.07 0.08 0.05 1.55 -0.34 0.00 0.00 178.44 179.85 3i45 h PRO 213 N -0.29 0.36 -0.53 5.25 0.13 -1.72 -0.72 132.00 134.48 3i45 h PRO 213 Ca -0.01 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 3i45 h PRO 213 Cb 0.24 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.28 3i45 h PRO 213 CO 0.02 0.35 0.25 0.87 -0.23 0.00 0.00 178.00 179.26 3i45 h LYS 214 N 0.36 0.77 -0.20 0.86 1.57 -1.68 -0.42 116.57 117.83 3i45 h LYS 214 Ca 0.09 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3i45 h LYS 214 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3i45 h LYS 214 CO -0.00 0.64 -0.07 0.35 -0.57 0.00 0.00 179.45 179.81 3i45 h PHE 215 N 0.72 0.45 -0.19 -1.35 3.57 -0.93 -1.69 116.94 117.51 3i45 h PHE 215 Ca 0.18 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3i45 h PHE 215 Cb 0.13 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3i45 h PHE 215 CO -0.00 0.66 -0.01 0.28 -2.23 0.00 0.00 178.31 177.01 3i45 h VAL 216 N 0.11 0.85 -0.17 1.41 2.07 -1.01 0.10 116.25 119.62 3i45 h VAL 216 Ca 0.05 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3i45 h VAL 216 Cb 0.53 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3i45 h VAL 216 CO 0.02 0.01 -0.06 0.03 0.02 0.00 0.00 177.57 177.59 3i45 h ARG 217 N 0.05 0.34 -0.30 1.57 3.08 -1.07 -1.60 114.38 116.45 3i45 h ARG 217 Ca 0.09 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 3i45 h ARG 217 Cb 0.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3i45 h ARG 217 CO -0.16 0.63 -0.42 1.49 -1.07 0.00 0.00 179.97 180.44 3i45 h GLU 218 N 0.02 0.74 -0.49 0.04 4.57 -1.26 -1.35 114.58 116.85 3i45 h GLU 218 Ca 0.04 -0.40 0.05 0.00 -1.18 0.00 0.00 59.36 57.87 3i45 h GLU 218 Cb 0.52 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 3i45 h GLU 218 CO 0.02 1.02 0.23 0.78 -1.18 0.00 0.00 179.01 179.89 3i45 h GLY 219 N 0.92 0.68 0.98 1.92 0.00 -0.78 -1.67 103.07 105.12 3i45 h GLY 219 Ca 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3i45 h GLY 219 CO 0.09 0.09 0.26 3.21 0.00 0.00 0.00 176.54 180.19 3i45 h ARG 220 N 0.46 0.75 -0.55 4.80 3.08 -1.04 0.14 114.38 122.01 3i45 h ARG 220 Ca 0.22 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.22 3i45 h ARG 220 Cb 0.15 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 3i45 h ARG 220 CO -0.17 0.61 0.28 0.28 -1.07 0.00 0.00 179.97 179.90 3i45 h VAL 221 N 0.70 0.95 -0.01 2.04 2.07 -0.96 -2.72 116.25 118.32 3i45 h VAL 221 Ca 0.18 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i45 h VAL 221 Cb 0.10 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3i45 h VAL 221 CO -0.02 0.10 -0.11 0.54 0.02 0.00 0.00 177.57 178.09 3i45 n ARG 222 N -4.87 1.24 -1.76 1.57 1.74 -0.65 -4.94 116.66 108.98 3i45 n ARG 222 Ca 0.06 -0.69 -0.04 0.00 -0.77 0.00 0.00 57.85 56.41 3i45 n ARG 222 Cb 0.15 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 3i45 n ARG 222 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i45 n GLY 223 N 1.24 0.36 0.26 -0.13 0.00 -0.14 -4.96 105.19 101.83 3i45 n GLY 223 Ca 0.16 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 3i45 n GLY 223 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i45 h LEU 224 N 0.00 0.63 0.00 0.99 5.85 -1.08 -3.29 115.31 118.41 3i45 h LEU 224 Ca -0.08 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 3i45 h LEU 224 Cb 0.80 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3i45 h LEU 224 CO 0.10 0.79 -1.13 -0.26 -0.34 0.00 0.00 178.44 177.61 3i45 h PHE 225 N 0.58 0.00 -2.38 1.25 0.04 -1.93 -3.44 116.94 111.07 3i45 h PHE 225 Ca 0.10 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.31 3i45 h PHE 225 Cb 0.58 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.77 3i45 h PHE 225 CO 0.02 0.31 1.05 0.00 -0.60 0.00 0.00 178.31 179.10 3i45 n ALA 226 N -2.28 1.83 -0.97 2.45 0.00 -1.24 -1.48 120.51 118.81 3i45 n ALA 226 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3i45 n ALA 226 Cb 0.70 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3i45 n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i45 n GLY 227 N 4.10 0.37 3.45 0.00 0.00 -1.26 -5.00 105.19 106.85 3i45 n GLY 227 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3i45 n GLY 227 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i45 s ARG 228 N -0.67 1.74 0.07 1.61 0.52 -0.55 -5.00 118.95 116.67 3i45 s ARG 228 Ca 0.00 -1.18 -0.23 0.00 -0.52 0.00 0.00 55.73 53.79 3i45 s ARG 228 Cb 0.00 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.34 3i45 s ARG 228 CO 0.00 0.48 0.71 -0.65 0.02 0.00 0.00 175.30 175.86 3i45 s GLN 229 N -1.96 4.44 -0.10 3.54 -1.52 -0.94 -4.96 119.66 118.15 3i45 s GLN 229 Ca 0.16 0.98 0.04 0.00 -1.95 0.00 0.00 55.36 54.59 3i45 s GLN 229 Cb -0.10 -3.32 0.00 0.00 -0.22 0.00 0.00 33.01 29.37 3i45 s GLN 229 CO 0.08 0.42 -0.24 0.08 -0.25 0.00 0.00 175.29 175.39 3i45 s VAL 230 N -0.51 2.04 -0.13 1.09 1.01 -1.26 -0.44 120.40 122.20 3i45 s VAL 230 Ca 0.35 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3i45 s VAL 230 Cb -0.21 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 3i45 s VAL 230 CO 0.22 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 175.00 3i45 s VAL 231 N 0.40 2.43 -0.09 2.92 1.01 0.28 -0.83 120.40 126.52 3i45 s VAL 231 Ca -0.17 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 3i45 s VAL 231 Cb -0.18 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.26 3i45 s VAL 231 CO 0.08 0.54 0.18 -0.55 0.00 0.00 0.00 175.10 175.35 3i45 s SER 232 N 0.61 0.59 -0.02 3.32 0.15 0.33 -0.58 113.70 118.11 3i45 s SER 232 Ca -0.10 0.39 -0.30 0.00 0.70 0.00 0.00 55.95 56.64 3i45 s SER 232 Cb -0.16 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 3i45 s SER 232 CO 0.03 -0.24 1.20 -0.32 1.20 0.00 0.00 173.24 175.11 3i45 s MET 233 N 2.23 4.38 0.00 5.44 1.75 -0.54 -3.11 119.30 129.44 3i45 s MET 233 Ca 0.02 1.70 0.00 0.00 -1.25 0.00 0.00 55.69 56.16 3i45 s MET 233 Cb -0.12 -3.50 0.00 0.00 2.84 0.00 0.00 34.83 34.05 3i45 s MET 233 CO -0.06 -0.39 0.00 1.28 -0.65 0.00 0.00 175.02 175.20 3i45 n LEU 234 N 4.84 0.04 0.26 4.11 4.77 -1.15 -4.78 117.00 125.09 3i45 n LEU 234 Ca 0.10 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 3i45 n LEU 234 Cb 0.46 -0.08 0.71 0.00 -2.33 0.00 0.00 43.42 42.19 3i45 n LEU 234 CO 0.55 -0.02 0.96 0.74 -1.33 0.00 0.00 177.39 178.29 3i45 h THR 235 N 0.00 0.46 -0.02 -5.08 2.02 -1.57 -1.02 112.91 107.71 3i45 h THR 235 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3i45 h THR 235 Cb 0.00 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3i45 h THR 235 CO 0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 3i45 n GLY 236 N -0.49 -0.77 3.71 2.16 0.00 -0.47 -3.88 105.19 105.45 3i45 n GLY 236 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3i45 n GLY 236 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i45 s GLU 237 N -1.98 4.52 0.52 1.61 2.02 -0.39 -1.79 118.70 123.21 3i45 s GLU 237 Ca 0.38 1.58 0.19 0.00 0.02 0.00 0.00 54.97 57.14 3i45 s GLU 237 Cb 0.18 -3.40 1.34 0.00 0.10 0.00 0.00 34.13 32.35 3i45 s GLU 237 CO 0.30 -0.11 2.13 -1.00 0.02 0.00 0.00 175.26 176.60 3i45 h PRO 238 N 6.65 0.00 0.00 0.39 0.13 -1.88 -0.45 132.00 136.84 3i45 h PRO 238 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 3i45 h PRO 238 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i45 h PRO 238 CO 0.77 0.05 -0.05 1.05 -0.23 0.00 0.00 178.00 179.59 3i45 h GLU 239 N 0.00 0.00 0.00 0.86 9.09 -1.92 -0.46 114.58 122.15 3i45 h GLU 239 Ca -0.00 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.07 3i45 h GLU 239 Cb 0.09 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.13 3i45 h GLU 239 CO 0.01 0.05 -2.28 0.66 0.05 0.00 0.00 179.01 177.50 3i45 n TYR 240 N -3.69 0.00 0.06 2.06 4.01 -0.48 -4.61 117.16 114.50 3i45 n TYR 240 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 3i45 n TYR 240 Cb 0.15 -0.88 -0.12 0.00 -0.31 0.00 0.00 39.34 38.18 3i45 n TYR 240 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3i45 h LEU 241 N 0.00 0.89 -0.67 7.72 5.85 -1.05 -3.37 115.31 124.68 3i45 h LEU 241 Ca -0.50 -0.77 -0.01 0.00 0.84 0.00 0.00 57.88 57.43 3i45 h LEU 241 Cb 1.92 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 3i45 h LEU 241 CO -0.04 1.55 0.37 0.78 -0.34 0.00 0.00 178.44 180.77 3i45 h ASN 242 N 0.32 0.84 0.35 1.25 -0.26 -1.31 -2.56 115.58 114.21 3i45 h ASN 242 Ca -0.15 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 3i45 h ASN 242 Cb 1.76 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.81 3i45 h ASN 242 CO 0.21 0.69 0.00 -2.65 -1.06 0.00 0.00 177.43 174.62 3i45 n PRO 243 N -4.52 0.14 0.19 0.81 -0.02 -1.26 -1.21 135.00 129.14 3i45 n PRO 243 Ca 0.05 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.18 3i45 n PRO 243 Cb 0.09 -1.86 0.52 0.00 -0.02 0.00 0.00 33.50 32.23 3i45 n PRO 243 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i45 h LEU 244 N 0.00 0.00 0.00 2.45 3.38 -1.66 -3.48 115.31 116.00 3i45 h LEU 244 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i45 h LEU 244 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i45 h LEU 244 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3i45 n LYS 245 N -2.65 0.00 0.00 1.13 5.02 -0.35 -0.72 118.16 120.59 3i45 n LYS 245 Ca 0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 3i45 n LYS 245 Cb 0.32 0.00 0.56 0.00 -0.02 0.00 0.00 35.03 35.89 3i45 n LYS 245 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3i45 n ASP 246 N 2.40 0.00 -0.76 4.39 5.75 -0.84 -2.24 116.55 125.26 3i45 n ASP 246 Ca 0.00 -0.72 0.11 0.00 -0.01 0.00 0.00 54.79 54.17 3i45 n ASP 246 Cb 0.00 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.40 3i45 n ASP 246 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3i45 n GLU 247 N -0.95 2.00 -1.72 0.11 1.02 0.11 -4.96 120.64 116.23 3i45 n GLU 247 Ca 0.14 -1.50 -0.42 0.00 -0.02 0.00 0.00 57.16 55.36 3i45 n GLU 247 Cb 0.07 -1.43 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3i45 n GLU 247 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i45 n ALA 248 N 0.73 1.68 -1.77 0.62 0.00 -0.95 -4.92 120.51 115.89 3i45 n ALA 248 Ca 0.17 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.59 3i45 n ALA 248 Cb 0.42 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 3i45 n ALA 248 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i45 s PRO 249 N -1.93 3.86 -0.12 0.00 0.04 -1.26 -4.90 135.00 130.68 3i45 s PRO 249 Ca 0.55 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 3i45 s PRO 249 Cb -0.54 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 3i45 s PRO 249 CO 0.63 -0.50 -0.03 -1.21 0.04 0.00 0.00 177.00 175.93 3i45 s GLU 250 N -2.51 3.33 0.00 4.56 2.02 -1.26 -4.27 118.70 120.57 3i45 s GLU 250 Ca 0.61 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.12 3i45 s GLU 250 Cb -0.31 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3i45 s GLU 250 CO 0.39 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.53 3i45 n GLY 251 N 2.89 0.71 3.77 -1.39 0.00 0.21 -4.96 105.19 106.42 3i45 n GLY 251 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3i45 n GLY 251 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i45 s TRP 252 N -2.57 3.31 -0.29 1.61 0.52 -1.26 -4.72 118.94 115.54 3i45 s TRP 252 Ca 0.00 1.64 -0.17 0.00 0.02 0.00 0.00 56.10 57.59 3i45 s TRP 252 Cb 0.00 -3.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.04 3i45 s TRP 252 CO 0.00 -0.79 0.47 0.42 0.02 0.00 0.00 176.95 177.07 3i45 s ILE 253 N -1.43 5.09 0.08 2.03 1.01 -0.01 -0.88 121.20 127.08 3i45 s ILE 253 Ca 0.53 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.82 3i45 s ILE 253 Cb -0.28 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3i45 s ILE 253 CO 0.35 0.02 -0.05 0.68 0.00 0.00 0.00 174.94 175.94 3i45 s VAL 254 N 2.26 0.52 0.09 2.92 -7.23 -0.03 -0.51 120.40 118.42 3i45 s VAL 254 Ca 0.19 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3i45 s VAL 254 Cb -0.16 -1.58 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 3i45 s VAL 254 CO 0.11 -0.90 0.38 0.42 -0.31 0.00 0.00 175.10 174.79 3i45 s THR 255 N -3.64 5.14 0.00 5.32 -4.23 -1.18 -1.99 115.64 115.05 3i45 s THR 255 Ca 0.09 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3i45 s THR 255 Cb 0.06 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3i45 s THR 255 CO -0.06 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 3i45 n GLY 256 N 0.71 1.44 2.73 3.99 0.00 -0.09 -1.37 105.19 112.59 3i45 n GLY 256 Ca -0.07 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 3i45 n GLY 256 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i45 s TYR 257 N -1.69 -0.20 -1.28 1.61 5.04 -0.74 -3.09 117.35 117.00 3i45 s TYR 257 Ca 0.00 -0.83 -0.07 0.00 -2.44 0.00 0.00 57.07 53.73 3i45 s TYR 257 Cb 0.00 -0.48 0.03 0.00 0.35 0.00 0.00 41.96 41.86 3i45 s TYR 257 CO 0.00 -0.95 2.66 -0.35 -1.34 0.00 0.00 175.55 175.58 3i45 n PRO 258 N 4.37 4.02 -0.08 4.97 -0.04 -1.26 -4.52 135.00 142.45 3i45 n PRO 258 Ca 0.09 -2.85 0.13 0.00 -0.04 0.00 0.00 63.50 60.83 3i45 n PRO 258 Cb 0.44 -2.61 0.53 0.00 -0.04 0.00 0.00 33.50 31.82 3i45 n PRO 258 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3i45 h TRP 259 N 4.51 0.38 0.00 0.54 5.08 -1.96 -0.47 115.95 124.05 3i45 h TRP 259 Ca 0.71 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 60.69 3i45 h TRP 259 Cb 0.39 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.43 3i45 h TRP 259 CO 1.69 0.17 -0.00 0.10 -1.28 0.00 0.00 178.44 179.13 3i45 h TYR 260 N 0.35 0.00 -0.06 0.12 -0.00 -1.97 -3.09 116.97 112.32 3i45 h TYR 260 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.01 3i45 h TYR 260 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 3i45 h TYR 260 CO -0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 177.91 3i45 n ASP 261 N -3.10 1.78 -4.66 0.10 8.00 -0.20 -4.96 116.55 113.52 3i45 n ASP 261 Ca -0.01 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 3i45 n ASP 261 Cb 0.22 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3i45 n ASP 261 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i45 s ILE 262 N -0.63 4.77 -1.58 0.53 1.01 -1.11 -4.92 121.20 119.26 3i45 s ILE 262 Ca 0.06 1.83 0.16 0.00 0.00 0.00 0.00 60.65 62.71 3i45 s ILE 262 Cb 0.04 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3i45 s ILE 262 CO 0.05 -0.09 0.88 0.47 0.00 0.00 0.00 174.94 176.25 3i45 n ASP 263 N 5.90 1.75 -4.77 3.58 8.00 -1.26 -4.64 116.55 125.12 3i45 n ASP 263 Ca 0.09 -1.38 -0.38 0.00 0.71 0.00 0.00 54.79 53.83 3i45 n ASP 263 Cb 0.47 0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.95 3i45 n ASP 263 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i45 s THR 264 N -1.82 3.00 0.17 -3.53 -4.23 -1.26 -4.83 115.64 103.14 3i45 s THR 264 Ca 0.14 0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 61.33 3i45 s THR 264 Cb 0.13 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.56 3i45 s THR 264 CO 0.37 0.06 1.77 0.00 -0.54 0.00 0.00 174.62 176.29 3i45 h ALA 265 N 2.48 0.53 -0.33 3.99 0.00 -1.94 -1.09 119.26 122.89 3i45 h ALA 265 Ca -0.49 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3i45 h ALA 265 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i45 h ALA 265 CO 0.62 -0.17 0.05 -1.35 0.00 0.00 0.00 179.25 178.40 3i45 h PRO 266 N 0.40 0.50 -0.14 0.00 0.11 -1.93 0.31 132.00 131.24 3i45 h PRO 266 Ca 0.19 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 66.06 3i45 h PRO 266 Cb 0.12 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.16 3i45 h PRO 266 CO -0.15 0.49 -0.51 1.25 -0.21 0.00 0.00 178.00 178.87 3i45 h HIS 267 N 0.49 0.78 -0.63 0.65 2.76 -0.90 -2.71 115.15 115.58 3i45 h HIS 267 Ca 0.11 -0.33 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 3i45 h HIS 267 Cb 0.24 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3i45 h HIS 267 CO 0.01 1.11 0.40 0.00 -1.30 0.00 0.00 177.93 178.14 3i45 h ARG 268 N 0.24 0.85 -0.71 5.26 2.47 -0.90 -0.69 114.38 120.88 3i45 h ARG 268 Ca -0.02 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3i45 h ARG 268 Cb 1.14 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.24 3i45 h ARG 268 CO 0.11 0.58 0.39 0.00 0.56 0.00 0.00 179.97 181.61 3i45 h ALA 269 N 1.57 0.91 -0.04 0.04 0.00 -0.84 -0.16 119.26 120.74 3i45 h ALA 269 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i45 h ALA 269 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3i45 h ALA 269 CO -0.05 0.43 0.02 0.35 0.00 0.00 0.00 179.25 179.99 3i45 h PHE 270 N 0.98 0.06 -0.43 0.00 3.57 -1.07 -0.44 116.94 119.61 3i45 h PHE 270 Ca 0.25 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.81 3i45 h PHE 270 Cb 0.04 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3i45 h PHE 270 CO -0.00 0.19 0.11 0.28 -2.23 0.00 0.00 178.31 176.66 3i45 h VAL 271 N -0.10 0.81 -0.27 1.41 2.07 -0.86 0.23 116.25 119.55 3i45 h VAL 271 Ca 0.01 -0.09 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 3i45 h VAL 271 Cb 0.16 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3i45 h VAL 271 CO -0.00 0.05 -0.43 -0.33 0.02 0.00 0.00 177.57 176.87 3i45 h GLU 272 N 0.25 0.66 -0.50 1.57 4.39 -0.97 -0.58 114.58 119.39 3i45 h GLU 272 Ca 0.21 -0.36 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 3i45 h GLU 272 Cb 0.23 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3i45 h GLU 272 CO -0.25 0.97 -0.12 0.00 -1.16 0.00 0.00 179.01 178.45 3i45 h ALA 273 N 0.98 0.83 -0.15 3.43 0.00 -0.76 -0.39 119.26 123.20 3i45 h ALA 273 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3i45 h ALA 273 Cb 0.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i45 h ALA 273 CO 0.09 0.65 0.04 -0.92 0.00 0.00 0.00 179.25 179.12 3i45 h TYR 274 N 0.84 0.25 -0.82 0.00 3.20 -0.81 -1.73 116.97 117.89 3i45 h TYR 274 Ca 0.13 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3i45 h TYR 274 Cb 0.66 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 3i45 h TYR 274 CO 0.04 0.37 0.54 0.00 -1.64 0.00 0.00 178.16 177.47 3i45 h ARG 275 N 0.06 1.07 -0.52 1.82 3.08 -0.99 0.13 114.38 119.02 3i45 h ARG 275 Ca 0.05 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3i45 h ARG 275 Cb 0.24 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3i45 h ARG 275 CO -0.00 0.70 0.11 0.00 -1.07 0.00 0.00 179.97 179.72 3i45 h ALA 276 N 1.31 1.22 0.25 0.04 0.00 -0.93 0.12 119.26 121.27 3i45 h ALA 276 Ca 0.31 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 3i45 h ALA 276 Cb -0.10 -0.21 0.04 0.00 0.00 0.00 0.00 17.79 17.51 3i45 h ALA 276 CO -0.08 0.53 -1.49 -0.09 0.00 0.00 0.00 179.25 178.13 3i45 h ARG 277 N 0.77 0.52 0.00 0.00 9.65 -0.83 -3.39 114.38 121.10 3i45 h ARG 277 Ca 0.17 -0.90 0.00 0.00 -1.10 0.00 0.00 59.98 58.15 3i45 h ARG 277 Cb 0.31 0.33 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3i45 h ARG 277 CO 0.00 1.43 -0.57 0.91 2.80 0.00 0.00 179.97 184.54 3i45 n TRP 278 N -3.70 0.00 -3.52 2.20 7.02 -0.01 -5.00 117.44 114.42 3i45 n TRP 278 Ca -0.17 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.05 3i45 n TRP 278 Cb 1.10 -0.03 0.04 0.00 -2.42 0.00 0.00 31.31 30.00 3i45 n TRP 278 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3i45 n LYS 279 N -1.30 -5.62 -3.92 -0.99 4.76 0.42 -4.98 118.16 106.52 3i45 n LYS 279 Ca 0.01 0.71 -0.10 0.00 -2.87 0.00 0.00 58.31 56.07 3i45 n LYS 279 Cb 0.15 -5.61 -0.09 0.00 -1.84 0.00 0.00 35.03 27.63 3i45 n LYS 279 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i45 s GLU 280 N -6.22 0.56 0.50 1.97 2.02 -1.26 -5.08 118.70 111.19 3i45 s GLU 280 Ca 0.51 -0.69 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 3i45 s GLU 280 Cb -0.25 0.22 -0.08 0.00 0.10 0.00 0.00 34.13 34.13 3i45 s GLU 280 CO 0.63 -0.14 1.07 -0.51 0.02 0.00 0.00 175.26 176.33 3i45 s ASP 281 N -1.97 6.17 0.63 -0.19 1.01 -1.26 -3.93 116.67 117.13 3i45 s ASP 281 Ca -0.07 2.00 -0.13 0.00 0.71 0.00 0.00 52.55 55.06 3i45 s ASP 281 Cb -0.03 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3i45 s ASP 281 CO -0.03 -0.90 1.05 -2.16 0.21 0.00 0.00 175.17 173.34 3i45 s PRO 282 N -3.23 3.20 0.46 8.23 0.04 -1.26 -5.03 135.00 137.40 3i45 s PRO 282 Ca 0.69 1.06 0.05 0.00 0.04 0.00 0.00 61.00 62.84 3i45 s PRO 282 Cb -0.19 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3i45 s PRO 282 CO 0.22 -0.89 0.07 -0.06 0.04 0.00 0.00 177.00 176.38 3i45 s PHE 283 N -2.75 2.23 0.38 0.56 0.08 -1.26 -5.00 117.98 112.23 3i45 s PHE 283 Ca 0.61 -0.77 0.07 0.00 0.12 0.00 0.00 56.93 56.96 3i45 s PHE 283 Cb -0.15 -1.77 0.77 0.00 -0.57 0.00 0.00 43.02 41.31 3i45 s PHE 283 CO 0.45 0.25 1.95 -0.24 -0.10 0.00 0.00 175.22 177.53 3i45 h VAL 284 N 1.47 1.15 -1.00 -0.44 3.04 -1.95 -1.19 116.25 117.33 3i45 h VAL 284 Ca -0.43 -0.58 0.16 0.00 -1.01 0.00 0.00 66.70 64.84 3i45 h VAL 284 Cb 1.27 0.92 -0.10 0.00 -2.01 0.00 0.00 31.29 31.38 3i45 h VAL 284 CO 0.75 0.20 0.62 1.23 -1.01 0.00 0.00 177.57 179.36 3i45 h GLY 285 N 0.68 1.70 0.61 3.17 0.00 -1.91 -0.72 103.07 106.60 3i45 h GLY 285 Ca 0.09 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.09 3i45 h GLY 285 CO 0.00 0.03 0.11 1.76 0.00 0.00 0.00 176.54 178.44 3i45 h SER 286 N 0.85 0.09 -0.61 0.19 0.02 -1.23 0.65 113.55 113.50 3i45 h SER 286 Ca 0.54 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.46 3i45 h SER 286 Cb 0.74 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 3i45 h SER 286 CO -0.33 0.09 0.06 0.25 -1.14 0.00 0.00 176.83 175.76 3i45 h LEU 287 N 0.25 1.02 -0.26 5.07 5.85 -1.21 -1.60 115.31 124.43 3i45 h LEU 287 Ca 0.18 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i45 h LEU 287 Cb 0.18 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3i45 h LEU 287 CO -0.20 1.04 0.17 0.58 -0.34 0.00 0.00 178.44 179.68 3i45 h VAL 288 N 0.98 1.07 -0.41 1.05 2.07 -0.68 -0.33 116.25 120.00 3i45 h VAL 288 Ca 0.19 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3i45 h VAL 288 Cb 0.48 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3i45 h VAL 288 CO 0.02 0.06 0.14 1.23 0.02 0.00 0.00 177.57 179.04 3i45 h GLY 289 N 0.35 0.67 0.97 2.17 0.00 -0.73 -0.57 103.07 105.93 3i45 h GLY 289 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3i45 h GLY 289 CO -0.02 0.37 0.18 -1.82 0.00 0.00 0.00 176.54 175.24 3i45 h TYR 290 N 0.51 0.40 -0.55 5.60 3.20 -1.16 -2.33 116.97 122.64 3i45 h TYR 290 Ca 0.13 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 3i45 h TYR 290 Cb 0.24 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3i45 h TYR 290 CO 0.01 0.30 -0.07 -0.91 -1.64 0.00 0.00 178.16 175.84 3i45 h ASN 291 N 0.38 1.01 0.01 -2.11 2.35 -0.93 -1.67 115.58 114.62 3i45 h ASN 291 Ca 0.11 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 3i45 h ASN 291 Cb 0.02 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 3i45 h ASN 291 CO -0.02 1.10 -0.02 0.74 -1.65 0.00 0.00 177.43 177.58 3i45 h THR 292 N 0.91 0.95 -0.08 2.81 2.02 -0.94 -0.16 112.91 118.43 3i45 h THR 292 Ca 0.15 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.19 3i45 h THR 292 Cb 0.63 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3i45 h THR 292 CO 0.04 0.00 -0.57 -0.07 0.37 0.00 0.00 175.52 175.29 3i45 h LEU 293 N -0.04 0.26 0.04 2.58 -0.00 -1.37 -1.77 115.31 115.00 3i45 h LEU 293 Ca 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.88 57.74 3i45 h LEU 293 Cb 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 3i45 h LEU 293 CO -0.01 0.78 -0.02 0.74 -0.00 0.00 0.00 178.44 179.93 3i45 h THR 294 N 0.18 0.98 -0.83 0.22 2.02 -1.16 -0.67 112.91 113.65 3i45 h THR 294 Ca -0.00 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.15 3i45 h THR 294 Cb 1.06 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 3i45 h THR 294 CO 0.09 0.01 0.54 0.00 0.37 0.00 0.00 175.52 176.53 3i45 h ALA 295 N 0.89 1.07 -0.39 6.16 0.00 -0.82 -1.49 119.26 124.69 3i45 h ALA 295 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3i45 h ALA 295 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i45 h ALA 295 CO 0.01 0.39 -0.07 0.52 0.00 0.00 0.00 179.25 180.09 3i45 h MET 296 N 1.06 0.73 -0.72 0.00 2.07 -1.15 -1.46 114.93 115.46 3i45 h MET 296 Ca 0.32 -0.27 0.04 0.00 -2.07 0.00 0.00 59.70 57.72 3i45 h MET 296 Cb -0.04 -0.05 -0.05 0.00 -1.87 0.00 0.00 31.60 29.60 3i45 h MET 296 CO -0.10 0.86 0.44 0.00 1.07 0.00 0.00 176.91 179.19 3i45 h ALA 297 N 0.84 0.95 -0.60 6.32 0.00 -0.81 -1.65 119.26 124.31 3i45 h ALA 297 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i45 h ALA 297 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3i45 h ALA 297 CO 0.03 0.20 0.30 0.28 0.00 0.00 0.00 179.25 180.06 3i45 h VAL 298 N 0.85 1.21 -0.17 0.00 2.07 -1.11 -1.48 116.25 117.62 3i45 h VAL 298 Ca 0.30 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3i45 h VAL 298 Cb 0.06 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3i45 h VAL 298 CO -0.13 0.24 0.07 0.00 0.02 0.00 0.00 177.57 177.77 3i45 h ALA 299 N 1.13 0.19 -0.48 1.67 0.00 -0.81 0.81 119.26 121.78 3i45 h ALA 299 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3i45 h ALA 299 Cb 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i45 h ALA 299 CO -0.03 -0.37 0.31 0.74 0.00 0.00 0.00 179.25 179.91 3i45 h PHE 300 N 0.15 0.61 -0.34 0.00 0.04 -1.16 -0.01 116.94 116.22 3i45 h PHE 300 Ca 0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3i45 h PHE 300 Cb 0.04 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3i45 h PHE 300 CO -0.11 0.39 0.14 1.49 -0.60 0.00 0.00 178.31 179.62 3i45 h GLU 301 N 0.64 0.52 -0.07 1.51 4.57 -1.00 -1.70 114.58 119.05 3i45 h GLU 301 Ca 0.17 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 3i45 h GLU 301 Cb -0.06 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3i45 h GLU 301 CO -0.04 0.51 -0.50 0.87 -1.18 0.00 0.00 179.01 178.67 3i45 h LYS 302 N 0.41 0.18 -0.09 1.92 1.57 -0.77 -3.04 116.57 116.75 3i45 h LYS 302 Ca 0.11 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 3i45 h LYS 302 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3i45 h LYS 302 CO -0.01 0.65 -0.46 0.00 -0.57 0.00 0.00 179.45 179.06 3i45 h ALA 303 N 1.34 1.06 0.00 3.86 0.00 -0.79 -3.47 119.26 121.25 3i45 h ALA 303 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i45 h ALA 303 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i45 h ALA 303 CO 0.08 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.36 3i45 n GLY 304 N -0.08 0.65 3.19 0.00 0.00 -0.66 -4.96 105.19 103.34 3i45 n GLY 304 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3i45 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i45 n GLY 305 N -2.68 0.27 0.35 -0.02 0.00 -1.22 -5.05 105.19 96.85 3i45 n GLY 305 Ca 0.00 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.12 3i45 n GLY 305 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i45 n THR 306 N -0.75 0.00 -1.69 2.61 -2.24 -1.26 -4.77 114.28 106.18 3i45 n THR 306 Ca 0.04 -0.25 -0.44 0.00 -2.27 0.00 0.00 64.05 61.12 3i45 n THR 306 Cb 0.46 1.18 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 3i45 n THR 306 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i45 n GLU 307 N -0.32 2.42 -0.15 -0.78 0.00 -1.26 -4.88 120.64 115.68 3i45 n GLU 307 Ca 0.07 0.88 -0.08 0.00 0.00 0.00 0.00 57.16 58.03 3i45 n GLU 307 Cb 0.38 -2.68 0.01 0.00 0.00 0.00 0.00 31.44 29.15 3i45 n GLU 307 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 3i45 h SER 308 N 6.49 0.54 -0.46 4.31 0.02 -1.89 -2.07 113.55 120.48 3i45 h SER 308 Ca -0.44 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 3i45 h SER 308 Cb 1.23 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3i45 h SER 308 CO 0.92 0.44 0.12 -0.33 -1.14 0.00 0.00 176.83 176.84 3i45 h GLU 309 N 0.59 0.73 -0.57 3.45 4.39 -1.90 -0.87 114.58 120.40 3i45 h GLU 309 Ca 0.16 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 3i45 h GLU 309 Cb 0.00 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3i45 h GLU 309 CO -0.03 0.72 -0.03 1.15 -1.16 0.00 0.00 179.01 179.66 3i45 h THR 310 N 0.61 1.26 -0.24 1.13 2.02 -1.94 -1.89 112.91 113.87 3i45 h THR 310 Ca 0.15 -1.16 0.01 0.00 0.77 0.00 0.00 66.41 66.18 3i45 h THR 310 Cb 0.31 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3i45 h THR 310 CO 0.00 0.42 0.12 0.25 0.37 0.00 0.00 175.52 176.68 3i45 h LEU 311 N 0.92 0.18 -1.00 2.58 5.85 -1.05 0.95 115.31 123.74 3i45 h LEU 311 Ca 0.16 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3i45 h LEU 311 Cb 0.57 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3i45 h LEU 311 CO 0.03 0.14 0.39 0.58 -0.34 0.00 0.00 178.44 179.25 3i45 h VAL 312 N 0.26 1.24 -0.31 1.05 2.07 -1.07 -2.64 116.25 116.85 3i45 h VAL 312 Ca 0.10 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 3i45 h VAL 312 Cb 0.02 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3i45 h VAL 312 CO -0.06 0.28 -0.34 -0.33 0.02 0.00 0.00 177.57 177.13 3i45 h GLU 313 N 1.10 0.69 -0.53 1.57 4.39 -0.90 -3.15 114.58 117.74 3i45 h GLU 313 Ca 0.27 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3i45 h GLU 313 Cb 0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3i45 h GLU 313 CO -0.04 0.93 0.25 1.15 -1.16 0.00 0.00 179.01 180.14 3i45 h THR 314 N 0.58 1.18 0.00 1.13 2.02 -0.48 -2.48 112.91 114.85 3i45 h THR 314 Ca 0.06 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3i45 h THR 314 Cb 0.86 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3i45 h THR 314 CO 0.07 0.22 0.00 -0.07 0.37 0.00 0.00 175.52 176.11 3i45 h LEU 315 N 0.75 0.00 -9.17 2.58 3.38 -1.44 -3.39 115.31 108.02 3i45 h LEU 315 Ca 0.19 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.60 3i45 h LEU 315 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i45 h LEU 315 CO -0.02 0.00 1.27 -0.54 0.09 0.00 0.00 178.44 179.23 3i45 s LYS 316 N -3.45 3.78 -1.96 1.13 1.02 -0.94 -1.91 119.74 117.42 3i45 s LYS 316 Ca 0.03 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.21 3i45 s LYS 316 Cb 0.09 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 3i45 s LYS 316 CO 0.47 -1.34 0.00 -0.25 -0.92 0.00 0.00 175.35 173.31 3i45 n ASP 317 N 8.86 -5.61 -4.70 2.83 8.00 0.36 -4.81 116.55 121.47 3i45 n ASP 317 Ca 0.22 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 3i45 n ASP 317 Cb 0.43 -4.81 -0.03 0.00 -0.02 0.00 0.00 41.12 36.69 3i45 n ASP 317 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3i45 s MET 318 N -4.40 4.51 0.28 -1.24 1.75 -0.80 -4.76 119.30 114.64 3i45 s MET 318 Ca 0.00 1.34 -0.11 0.00 -1.25 0.00 0.00 55.69 55.67 3i45 s MET 318 Cb 0.00 -3.48 -0.07 0.00 2.84 0.00 0.00 34.83 34.12 3i45 s MET 318 CO 0.00 -0.11 0.63 0.00 -0.65 0.00 0.00 175.02 174.89 3i45 s ALA 319 N 1.25 3.48 -0.09 4.11 0.00 -1.26 -1.66 121.76 127.59 3i45 s ALA 319 Ca 0.49 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 3i45 s ALA 319 Cb -0.20 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.41 3i45 s ALA 319 CO 0.24 0.36 0.36 -0.59 0.00 0.00 0.00 175.76 176.14 3i45 s PHE 320 N -1.97 -0.33 0.09 0.00 -0.12 0.09 -4.98 117.98 110.77 3i45 s PHE 320 Ca 0.49 0.71 -0.25 0.00 -0.05 0.00 0.00 56.93 57.84 3i45 s PHE 320 Cb -0.11 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.35 3i45 s PHE 320 CO 0.22 -0.30 0.76 -1.12 -0.05 0.00 0.00 175.22 174.74 3i45 s SER 321 N -0.48 7.27 0.30 1.98 0.01 -1.26 -0.96 113.70 120.56 3i45 s SER 321 Ca -0.06 1.51 0.03 0.00 1.31 0.00 0.00 55.95 58.74 3i45 s SER 321 Cb -0.04 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 3i45 s SER 321 CO 0.02 0.10 0.13 0.42 0.41 0.00 0.00 173.24 174.33 3i45 s THR 322 N -0.52 0.47 -0.80 1.44 -4.23 -0.91 -4.92 115.64 106.17 3i45 s THR 322 Ca 0.37 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.99 3i45 s THR 322 Cb -0.21 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.18 3i45 s THR 322 CO 0.24 0.00 1.33 -2.65 -0.54 0.00 0.00 174.62 173.00 3i45 n PRO 323 N -0.59 0.05 -0.72 3.99 -0.02 -1.26 -1.13 135.00 135.33 3i45 n PRO 323 Ca -0.00 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 3i45 n PRO 323 Cb 0.65 -1.62 0.27 0.00 -0.02 0.00 0.00 33.50 32.78 3i45 n PRO 323 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i45 n MET 324 N -1.72 3.07 0.00 -0.52 2.81 -1.26 -2.07 117.12 117.43 3i45 n MET 324 Ca 0.01 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 3i45 n MET 324 Cb 0.08 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 3i45 n MET 324 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i45 n GLY 325 N -0.46 -2.65 3.76 3.03 0.00 -0.28 -4.94 105.19 103.65 3i45 n GLY 325 Ca 0.30 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 3i45 n GLY 325 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i45 s PRO 326 N -0.48 4.31 0.31 1.61 0.04 -1.26 -2.14 135.00 137.39 3i45 s PRO 326 Ca 0.00 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.37 3i45 s PRO 326 Cb 0.00 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 3i45 s PRO 326 CO 0.00 -0.27 -0.03 -0.51 0.04 0.00 0.00 177.00 176.22 3i45 s LEU 327 N -1.50 2.50 0.07 -3.56 1.43 -0.13 -4.93 118.68 112.56 3i45 s LEU 327 Ca 0.52 -1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 3i45 s LEU 327 Cb -0.41 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 3i45 s LEU 327 CO 0.52 -0.39 0.04 -0.94 0.23 0.00 0.00 176.35 175.81 3i45 s SER 328 N -3.50 0.38 -0.21 2.29 1.04 -1.26 -0.73 113.70 111.71 3i45 s SER 328 Ca 0.32 -0.91 -0.12 0.00 0.48 0.00 0.00 55.95 55.72 3i45 s SER 328 Cb 0.05 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3i45 s SER 328 CO 0.14 -0.64 0.21 -0.36 0.98 0.00 0.00 173.24 173.56 3i45 s PHE 329 N -3.91 3.38 0.22 5.02 0.08 -0.67 -0.86 117.98 121.23 3i45 s PHE 329 Ca 0.07 0.38 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 3i45 s PHE 329 Cb 0.07 -2.28 -0.09 0.00 -0.57 0.00 0.00 43.02 40.15 3i45 s PHE 329 CO -0.10 0.15 1.24 1.03 -0.10 0.00 0.00 175.22 177.45 3i45 s ARG 330 N 0.78 4.45 0.34 0.44 0.52 -0.32 -0.49 118.95 124.67 3i45 s ARG 330 Ca 0.11 1.98 0.05 0.00 -0.52 0.00 0.00 55.73 57.34 3i45 s ARG 330 Cb -0.13 -3.20 0.63 0.00 0.52 0.00 0.00 34.95 32.77 3i45 s ARG 330 CO 0.03 -0.13 1.88 0.00 0.02 0.00 0.00 175.30 177.09 3i45 h ALA 331 N 4.96 1.39 -0.16 2.13 0.00 -1.87 0.11 119.26 125.82 3i45 h ALA 331 Ca -0.45 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 3i45 h ALA 331 Cb 1.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i45 h ALA 331 CO 0.74 0.43 -0.11 0.66 0.00 0.00 0.00 179.25 180.96 3i45 h SER 332 N 0.47 0.37 0.00 0.00 4.64 -1.91 -3.37 113.55 113.75 3i45 h SER 332 Ca 0.10 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3i45 h SER 332 Cb 0.33 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3i45 h SER 332 CO 0.01 0.74 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 3i45 n ASP 333 N -4.58 1.04 -1.31 4.97 5.75 -1.24 -4.43 116.55 116.75 3i45 n ASP 333 Ca -0.06 -1.36 -0.16 0.00 -0.01 0.00 0.00 54.79 53.21 3i45 n ASP 333 Cb 0.34 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 3i45 n ASP 333 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3i45 n HIS 334 N -0.18 -0.12 -3.75 2.11 8.25 0.03 -4.62 115.22 116.93 3i45 n HIS 334 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3i45 n HIS 334 Cb 0.21 -2.83 -0.07 0.00 1.12 0.00 0.00 29.99 28.42 3i45 n HIS 334 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3i45 s GLN 335 N -3.57 3.87 0.61 -0.41 2.00 -1.26 -1.50 119.66 119.40 3i45 s GLN 335 Ca 0.00 -0.10 -0.14 0.00 -2.00 0.00 0.00 55.36 53.13 3i45 s GLN 335 Cb 0.00 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.46 3i45 s GLN 335 CO 0.00 0.52 1.04 -1.54 -0.50 0.00 0.00 175.29 174.80 3i45 s SER 336 N -0.30 5.96 -0.01 6.67 1.04 -0.39 -1.17 113.70 125.49 3i45 s SER 336 Ca 0.13 1.62 0.04 0.00 0.48 0.00 0.00 55.95 58.23 3i45 s SER 336 Cb -0.12 -2.50 0.14 0.00 0.10 0.00 0.00 66.02 63.63 3i45 s SER 336 CO 0.02 -1.05 1.03 0.35 0.98 0.00 0.00 173.24 174.57 3i45 n THR 337 N -2.38 0.27 -1.65 2.02 -2.24 -0.04 -4.82 114.28 105.45 3i45 n THR 337 Ca 0.07 -0.21 -0.47 0.00 -2.27 0.00 0.00 64.05 61.17 3i45 n THR 337 Cb 0.54 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3i45 n THR 337 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3i45 n MET 338 N -0.03 1.84 -0.21 -0.78 0.00 -1.26 -1.41 117.12 115.28 3i45 n MET 338 Ca 0.05 0.66 0.00 0.00 -0.00 0.00 0.00 57.70 58.41 3i45 n MET 338 Cb 0.19 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 31.06 3i45 n MET 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i45 n GLY 339 N 2.81 3.01 3.33 -5.12 0.00 -1.26 -3.83 105.19 104.12 3i45 n GLY 339 Ca 0.16 -2.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 3i45 n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i45 s ALA 340 N -2.00 0.74 -0.12 4.61 0.00 -0.95 -4.65 121.76 119.39 3i45 s ALA 340 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 3i45 s ALA 340 Cb 0.00 1.29 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 3i45 s ALA 340 CO 0.00 -0.68 -0.02 -1.58 0.00 0.00 0.00 175.76 173.48 3i45 s TRP 341 N -4.08 3.08 -0.06 0.00 0.51 -1.18 -0.66 118.94 116.56 3i45 s TRP 341 Ca 0.34 -0.04 0.06 0.00 -2.12 0.00 0.00 56.10 54.33 3i45 s TRP 341 Cb 0.04 -1.87 -0.01 0.00 -0.81 0.00 0.00 33.47 30.82 3i45 s TRP 341 CO 0.12 0.22 -0.24 0.08 -0.51 0.00 0.00 176.95 176.61 3i45 s VAL 342 N -0.26 2.16 0.00 4.03 1.01 -0.17 -0.91 120.40 126.25 3i45 s VAL 342 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3i45 s VAL 342 Cb -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3i45 s VAL 342 CO 0.02 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3i45 n GLY 343 N 2.92 0.57 3.67 4.51 0.00 -0.84 -0.97 105.19 115.05 3i45 n GLY 343 Ca -0.17 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3i45 n GLY 343 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i45 s ARG 344 N -0.31 2.75 0.41 1.61 0.52 -0.48 -0.85 118.95 122.60 3i45 s ARG 344 Ca 0.00 -0.62 -0.22 0.00 -0.52 0.00 0.00 55.73 54.37 3i45 s ARG 344 Cb 0.00 -2.64 -0.11 0.00 0.52 0.00 0.00 34.95 32.72 3i45 s ARG 344 CO 0.00 0.62 0.95 0.95 0.02 0.00 0.00 175.30 177.84 3i45 s THR 345 N -1.06 4.36 0.20 0.02 -4.23 -0.06 0.11 115.64 114.98 3i45 s THR 345 Ca 0.19 1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 62.11 3i45 s THR 345 Cb -0.11 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.06 3i45 s THR 345 CO 0.09 -0.24 0.45 0.00 -0.54 0.00 0.00 174.62 174.38 3i45 s ALA 346 N -2.08 -0.49 -0.11 3.99 0.00 -0.12 -0.62 121.76 122.32 3i45 s ALA 346 Ca 0.60 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 3i45 s ALA 346 Cb -0.11 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3i45 s ALA 346 CO 0.15 -0.78 0.20 -0.51 0.00 0.00 0.00 175.76 174.81 3i45 s LEU 347 N -2.94 4.37 -0.15 0.00 1.43 -1.26 -0.85 118.68 119.28 3i45 s LEU 347 Ca 0.15 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3i45 s LEU 347 Cb 0.00 -2.19 0.05 0.00 0.03 0.00 0.00 46.19 44.08 3i45 s LEU 347 CO 0.02 0.34 0.01 -0.60 0.23 0.00 0.00 176.35 176.34 3i45 s ARG 348 N -0.72 0.78 -1.45 1.70 3.52 0.42 -4.84 118.95 118.35 3i45 s ARG 348 Ca 0.16 -0.27 -0.08 0.00 -0.13 0.00 0.00 55.73 55.41 3i45 s ARG 348 Cb -0.13 -1.73 0.05 0.00 -1.56 0.00 0.00 34.95 31.58 3i45 s ARG 348 CO 0.05 -0.50 0.79 -0.25 -0.81 0.00 0.00 175.30 174.58 3i45 n ASP 349 N 5.05 -2.76 -0.01 -2.12 8.00 -1.26 -1.78 116.55 121.67 3i45 n ASP 349 Ca -0.09 -0.85 -0.00 0.00 0.71 0.00 0.00 54.79 54.56 3i45 n ASP 349 Cb 0.48 -3.72 -0.00 0.00 -0.02 0.00 0.00 41.12 37.86 3i45 n ASP 349 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i45 n GLY 350 N -1.67 0.40 3.25 0.44 0.00 -1.26 -5.02 105.19 101.32 3i45 n GLY 350 Ca -0.12 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3i45 n GLY 350 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i45 s LYS 351 N -0.51 1.56 0.15 1.61 1.02 -0.73 -1.98 119.74 120.85 3i45 s LYS 351 Ca 0.00 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 3i45 s LYS 351 Cb 0.00 -1.61 -0.08 0.00 -0.52 0.00 0.00 37.83 35.63 3i45 s LYS 351 CO 0.00 0.42 1.28 0.20 -0.92 0.00 0.00 175.35 176.33 3i45 s GLY 352 N -0.88 2.38 0.23 -3.33 0.00 -1.26 -0.44 107.32 104.02 3i45 s GLY 352 Ca 0.08 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.82 3i45 s GLY 352 CO 0.01 2.08 0.14 -1.34 0.00 0.00 0.00 173.10 173.99 3i45 s VAL 353 N 0.52 0.14 -0.08 1.40 -7.23 -0.03 -4.83 120.40 110.28 3i45 s VAL 353 Ca 0.58 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3i45 s VAL 353 Cb -0.34 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3i45 s VAL 353 CO 0.34 0.00 0.10 -0.04 -0.31 0.00 0.00 175.10 175.19 3i45 s MET 354 N -4.06 3.25 0.23 4.82 -1.94 -1.26 -0.94 119.30 119.41 3i45 s MET 354 Ca 0.39 -0.28 0.05 0.00 -1.71 0.00 0.00 55.69 54.14 3i45 s MET 354 Cb 0.07 -3.02 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 3i45 s MET 354 CO 0.14 0.73 -0.05 0.14 -0.01 0.00 0.00 175.02 175.96 3i45 s VAL 355 N -1.04 1.37 -1.46 -6.03 -7.23 0.12 -4.84 120.40 101.28 3i45 s VAL 355 Ca 0.17 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 3i45 s VAL 355 Cb -0.12 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.58 3i45 s VAL 355 CO 0.06 -0.41 0.65 -0.67 -0.31 0.00 0.00 175.10 174.42 3i45 n ASP 356 N -0.45 -1.82 -4.87 4.85 -0.08 -1.26 -1.38 116.55 111.55 3i45 n ASP 356 Ca -0.06 -0.92 -0.21 0.00 -1.51 0.00 0.00 54.79 52.08 3i45 n ASP 356 Cb 0.63 -3.38 -0.04 0.00 2.34 0.00 0.00 41.12 40.67 3i45 n ASP 356 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 3i45 s TRP 357 N -3.66 3.16 -0.00 -0.67 1.48 -1.26 -4.32 118.94 113.66 3i45 s TRP 357 Ca 0.25 -0.12 -0.07 0.00 -1.06 0.00 0.00 56.10 55.10 3i45 s TRP 357 Cb -0.13 -1.52 0.00 0.00 -1.16 0.00 0.00 33.47 30.66 3i45 s TRP 357 CO 0.87 0.43 0.14 -0.98 -4.06 0.00 0.00 176.95 173.35 3i45 s ARG 358 N -3.91 0.45 0.09 3.25 1.70 -0.14 -4.97 118.95 115.41 3i45 s ARG 358 Ca 0.35 -0.33 -0.30 0.00 -0.47 0.00 0.00 55.73 54.97 3i45 s ARG 358 Cb -0.08 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 3i45 s ARG 358 CO 0.26 -0.10 1.03 -0.47 -1.08 0.00 0.00 175.30 174.94 3i45 s TYR 359 N -1.21 3.66 -0.29 5.89 5.04 -1.26 -1.00 117.35 128.18 3i45 s TYR 359 Ca -0.13 1.65 -0.03 0.00 -2.44 0.00 0.00 57.07 56.12 3i45 s TYR 359 Cb -0.07 -3.18 0.04 0.00 0.35 0.00 0.00 41.96 39.10 3i45 s TYR 359 CO 0.01 -0.26 -0.00 0.08 -1.34 0.00 0.00 175.55 174.04 3i45 s VAL 360 N 0.41 3.13 0.43 3.14 1.01 0.17 -4.97 120.40 123.71 3i45 s VAL 360 Ca 0.51 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 3i45 s VAL 360 Cb -0.25 -2.72 -0.08 0.00 0.00 0.00 0.00 36.38 33.33 3i45 s VAL 360 CO 0.30 -0.00 1.32 1.51 0.00 0.00 0.00 175.10 178.23 3i45 s ASP 361 N 1.31 6.14 0.26 3.32 -4.77 -1.26 -2.25 116.67 119.43 3i45 s ASP 361 Ca -0.03 2.69 -0.05 0.00 -3.30 0.00 0.00 52.55 51.87 3i45 s ASP 361 Cb -0.19 -2.64 0.31 0.00 -1.09 0.00 0.00 42.92 39.31 3i45 s ASP 361 CO -0.01 -0.97 1.92 1.23 0.70 0.00 0.00 175.17 178.03 3i45 h GLY 362 N 2.48 1.31 1.02 2.12 0.00 -1.36 -2.39 103.07 106.24 3i45 h GLY 362 Ca -0.50 -0.53 0.10 0.00 0.00 0.00 0.00 47.33 46.41 3i45 h GLY 362 CO 0.62 0.51 0.41 -1.33 0.00 0.00 0.00 176.54 176.75 3i45 h GLY 363 N 1.25 0.57 2.00 4.60 0.00 -1.89 -2.61 103.07 107.00 3i45 h GLY 363 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3i45 h GLY 363 CO -0.06 0.10 0.00 1.48 0.00 0.00 0.00 176.54 178.05 3i45 h SER 364 N 0.40 0.00 0.00 0.19 4.64 -1.80 -2.78 113.55 114.20 3i45 h SER 364 Ca 0.28 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3i45 h SER 364 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3i45 h SER 364 CO -0.08 0.00 -0.05 1.33 -0.87 0.00 0.00 176.83 177.16 3i45 n VAL 365 N -2.47 1.78 -4.28 0.95 0.24 -0.99 -5.01 118.33 108.55 3i45 n VAL 365 Ca 0.01 -2.16 -0.35 0.00 -2.04 0.00 0.00 64.34 59.81 3i45 n VAL 365 Cb 0.23 -0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 3i45 n VAL 365 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i45 s LEU 366 N -2.70 3.66 0.86 1.34 1.43 -1.05 -4.62 118.68 117.60 3i45 s LEU 366 Ca 0.30 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 3i45 s LEU 366 Cb 0.27 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.74 3i45 s LEU 366 CO 0.02 0.33 1.12 -2.84 0.23 0.00 0.00 176.35 175.22 3i45 s PRO 367 N -0.59 1.50 0.70 1.29 0.02 -1.26 -4.96 135.00 131.70 3i45 s PRO 367 Ca 0.10 1.36 -0.17 0.00 0.02 0.00 0.00 61.00 62.32 3i45 s PRO 367 Cb -0.12 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.62 3i45 s PRO 367 CO 0.02 -2.23 1.27 -2.30 -0.33 0.00 0.00 177.00 173.43 3i45 n PRO 368 N -3.94 0.82 -0.35 5.54 -0.02 -1.26 -4.73 135.00 131.07 3i45 n PRO 368 Ca 0.10 0.34 0.17 0.00 -2.02 0.00 0.00 63.50 62.10 3i45 n PRO 368 Cb 0.53 -2.51 0.38 0.00 -0.02 0.00 0.00 33.50 31.88 3i45 n PRO 368 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3i45 h PRO 369 N 0.08 0.57 -0.40 0.52 0.11 -2.00 -1.17 132.00 129.70 3i45 h PRO 369 Ca -0.49 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3i45 h PRO 369 Cb 1.33 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3i45 h PRO 369 CO 0.51 0.38 0.01 0.93 -0.21 0.00 0.00 178.00 179.62 3i45 h GLU 370 N 0.59 0.64 0.08 1.05 3.07 -1.99 -1.88 114.58 116.13 3i45 h GLU 370 Ca 0.64 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3i45 h GLU 370 Cb 1.22 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 3i45 h GLU 370 CO -0.47 0.65 -0.04 0.28 -1.40 0.00 0.00 179.01 178.03 3i45 h VAL 371 N 0.61 1.19 -0.12 3.13 2.07 -1.58 -3.30 116.25 118.25 3i45 h VAL 371 Ca 0.13 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 3i45 h VAL 371 Cb 0.36 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3i45 h VAL 371 CO 0.01 0.28 -0.32 -0.37 0.02 0.00 0.00 177.57 177.19 3i45 h VAL 372 N -0.66 1.27 -0.81 2.57 -1.51 -1.37 -2.84 116.25 112.89 3i45 h VAL 372 Ca -0.01 -1.29 0.04 0.00 -1.23 0.00 0.00 66.70 64.21 3i45 h VAL 372 Cb 0.54 1.53 -0.05 0.00 -2.13 0.00 0.00 31.29 31.19 3i45 h VAL 372 CO 0.02 0.39 0.53 0.28 -1.23 0.00 0.00 177.57 177.56 3i45 h SER 373 N 0.21 0.84 1.03 4.19 0.02 -1.44 -1.61 113.55 116.79 3i45 h SER 373 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3i45 h SER 373 Cb 0.67 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3i45 h SER 373 CO 0.05 0.57 0.00 0.00 -1.14 0.00 0.00 176.83 176.31 3i45 n ALA 374 N -2.42 2.04 0.88 3.77 0.00 -1.07 -2.61 120.51 121.11 3i45 n ALA 374 Ca 0.11 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.66 3i45 n ALA 374 Cb 0.14 -1.41 0.35 0.00 0.00 0.00 0.00 19.45 18.53 3i45 n ALA 374 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3i45 n TRP 375 N -1.96 0.18 -2.88 0.00 8.01 -0.61 -4.89 117.44 115.30 3i45 n TRP 375 Ca 0.05 0.05 -0.29 0.00 -1.31 0.00 0.00 57.50 56.00 3i45 n TRP 375 Cb 0.32 -0.46 -0.02 0.00 -2.01 0.00 0.00 31.31 29.14 3i45 n TRP 375 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3i45 s ARG 376 N -3.04 3.67 0.42 -0.99 0.52 -1.07 -3.59 118.95 114.86 3i45 s ARG 376 Ca 0.11 0.28 -0.25 0.00 -0.52 0.00 0.00 55.73 55.35 3i45 s ARG 376 Cb 0.17 -2.44 -0.10 0.00 0.52 0.00 0.00 34.95 33.10 3i45 s ARG 376 CO 0.65 -0.04 1.19 -2.30 0.02 0.00 0.00 175.30 174.81 3i45 n PRO 377 N -1.56 1.74 0.00 3.54 -0.02 -1.26 -4.87 135.00 132.57 3i45 n PRO 377 Ca 0.01 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 3i45 n PRO 377 Cb 0.54 -2.27 0.62 0.00 -0.02 0.00 0.00 33.50 32.38 3i45 n PRO 377 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i45 n ALA 378 N -0.28 2.27 -1.62 3.55 0.00 -1.26 -5.07 120.51 118.11 3i45 n ALA 378 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i45 n ALA 378 Cb 0.39 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3i45 n ALA 378 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91