#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su3 h ASP 32 N 0.00 0.00 0.14 4.52 -0.00 -2.05 -3.07 116.42 115.96 1su3 h ASP 32 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 1su3 h ASP 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1su3 h ASP 32 CO 0.00 0.00 -0.07 0.25 -0.00 0.00 0.00 179.24 179.42 1su3 h LEU 33 N 0.00 -0.15 0.12 0.15 7.12 -2.02 -1.10 115.31 119.42 1su3 h LEU 33 Ca 0.00 -0.17 0.01 0.00 0.13 0.00 0.00 57.88 57.85 1su3 h LEU 33 Cb 0.15 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.30 1su3 h LEU 33 CO 0.00 0.08 -0.18 0.58 -0.13 0.00 0.00 178.44 178.79 1su3 h VAL 34 N -0.39 0.59 -0.32 1.05 2.07 -1.97 0.31 116.25 117.59 1su3 h VAL 34 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1su3 h VAL 34 Cb 0.31 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1su3 h VAL 34 CO 0.03 0.00 0.01 -0.61 0.02 0.00 0.00 177.57 177.02 1su3 h GLN 35 N -0.36 0.11 0.39 1.57 5.75 -1.58 -1.02 115.11 119.97 1su3 h GLN 35 Ca 0.02 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1su3 h GLN 35 Cb 0.37 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1su3 h GLN 35 CO -0.09 0.07 -0.19 0.87 -2.65 0.00 0.00 178.83 176.84 1su3 h LYS 36 N 0.11 -0.50 -0.16 1.69 1.79 -0.93 -1.56 116.57 117.01 1su3 h LYS 36 Ca 0.16 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.71 1su3 h LYS 36 Cb 0.20 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 1su3 h LYS 36 CO -0.25 -0.31 -0.25 -0.92 -1.08 0.00 0.00 179.45 176.64 1su3 h TYR 37 N -0.57 -0.67 0.00 -1.35 3.20 -0.80 -0.11 116.97 116.67 1su3 h TYR 37 Ca -0.05 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1su3 h TYR 37 Cb 0.43 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1su3 h TYR 37 CO -0.04 -0.33 -0.11 -0.07 -1.64 0.00 0.00 178.16 175.97 1su3 h LEU 38 N -0.30 0.00 -0.16 2.82 -0.00 -1.17 -0.26 115.31 116.24 1su3 h LEU 38 Ca 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.87 1su3 h LEU 38 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1su3 h LEU 38 CO -0.33 0.11 -0.35 -0.33 -0.00 0.00 0.00 178.44 177.54 1su3 h GLU 39 N 0.00 0.52 -0.19 1.13 5.08 -0.39 -1.25 114.58 119.48 1su3 h GLU 39 Ca -0.00 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 1su3 h GLU 39 Cb 0.20 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1su3 h GLU 39 CO 0.01 0.95 -0.34 0.87 -1.00 0.00 0.00 179.01 179.51 1su3 h LYS 40 N 0.16 0.56 0.00 2.33 1.57 -0.52 -3.37 116.57 117.30 1su3 h LYS 40 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1su3 h LYS 40 Cb 0.95 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1su3 h LYS 40 CO 0.08 0.96 -0.82 0.66 -0.57 0.00 0.00 179.45 179.76 1su3 n TYR 41 N -4.31 0.00 -1.61 -1.35 0.53 -0.15 -4.41 117.16 105.86 1su3 n TYR 41 Ca -0.06 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.88 1su3 n TYR 41 Cb 0.50 -0.07 0.11 0.00 -1.03 0.00 0.00 39.34 38.85 1su3 n TYR 41 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1su3 n TYR 42 N -1.44 0.00 -3.93 -0.72 4.02 -0.56 -0.97 117.16 113.56 1su3 n TYR 42 Ca -0.00 -0.84 -0.30 0.00 -0.01 0.00 0.00 57.90 56.75 1su3 n TYR 42 Cb 0.11 -0.15 0.02 0.00 -0.02 0.00 0.00 39.34 39.29 1su3 n TYR 42 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1su3 n ASN 43 N -0.77 -4.37 -4.65 7.72 5.15 -1.09 -4.92 115.26 112.33 1su3 n ASN 43 Ca 0.12 -0.80 -0.43 0.00 -0.60 0.00 0.00 54.58 52.86 1su3 n ASN 43 Cb 0.74 -3.79 -0.02 0.00 -0.53 0.00 0.00 39.78 36.17 1su3 n ASN 43 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1su3 s LEU 44 N -7.24 4.00 0.00 1.20 1.98 -0.68 -5.00 118.68 112.94 1su3 s LEU 44 Ca 0.61 1.17 -0.19 0.00 -2.89 0.00 0.00 54.13 52.84 1su3 s LEU 44 Cb -0.31 -3.53 -0.31 0.00 0.66 0.00 0.00 46.19 42.70 1su3 s LEU 44 CO 0.84 -0.79 1.00 0.07 -1.89 0.00 0.00 176.35 175.58 1su3 h LYS 45 N 7.83 0.46 0.00 1.98 5.09 -1.91 -3.40 116.57 126.62 1su3 h LYS 45 Ca -0.20 -0.68 0.00 0.00 0.09 0.00 0.00 60.65 59.86 1su3 h LYS 45 Cb 1.06 0.24 0.00 0.00 0.10 0.00 0.00 32.23 33.63 1su3 h LYS 45 CO 1.01 1.31 0.00 0.43 -2.09 0.00 0.00 179.45 180.11 1su3 n SER 57 N -3.96 0.00 0.00 7.07 7.64 -1.26 -5.07 113.62 118.04 1su3 n SER 57 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1su3 n SER 57 Cb 0.91 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1su3 n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1su3 n GLY 58 N -0.56 -0.48 0.24 0.23 0.00 -1.26 -4.64 105.19 98.72 1su3 n GLY 58 Ca 0.00 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 43.96 1su3 n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1su3 h PRO 59 N 0.00 0.06 0.25 1.61 0.11 -2.04 -2.58 132.00 129.42 1su3 h PRO 59 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1su3 h PRO 59 Cb 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1su3 h PRO 59 CO 0.00 0.16 -0.12 0.28 -0.21 0.00 0.00 178.00 178.11 1su3 h VAL 60 N 0.06 0.78 -0.59 3.15 2.07 -1.99 -1.72 116.25 118.01 1su3 h VAL 60 Ca 0.01 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.44 1su3 h VAL 60 Cb 0.20 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1su3 h VAL 60 CO 0.01 0.04 0.25 0.58 0.02 0.00 0.00 177.57 178.48 1su3 h VAL 61 N -0.43 0.84 -0.77 2.57 2.07 -1.77 -0.71 116.25 118.06 1su3 h VAL 61 Ca -0.03 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1su3 h VAL 61 Cb 0.32 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1su3 h VAL 61 CO 0.06 0.08 0.36 -0.33 0.02 0.00 0.00 177.57 177.76 1su3 h GLU 62 N 0.47 1.11 -0.11 1.57 5.08 -1.31 -2.07 114.58 119.33 1su3 h GLU 62 Ca 0.29 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 1su3 h GLU 62 Cb 0.30 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1su3 h GLU 62 CO -0.25 0.87 -0.69 0.87 -1.00 0.00 0.00 179.01 178.81 1su3 h LYS 63 N 1.09 0.47 -0.76 2.33 1.79 -0.80 -2.61 116.57 118.08 1su3 h LYS 63 Ca 0.26 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1su3 h LYS 63 Cb 0.14 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1su3 h LYS 63 CO -0.03 0.99 0.42 1.25 -1.08 0.00 0.00 179.45 181.00 1su3 h LEU 64 N 0.33 0.95 -0.67 2.94 6.46 -0.92 -1.90 115.31 122.50 1su3 h LEU 64 Ca -0.02 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1su3 h LEU 64 Cb 1.26 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.92 1su3 h LEU 64 CO 0.12 0.77 0.40 0.11 -0.62 0.00 0.00 178.44 179.22 1su3 h LYS 65 N 1.05 0.91 -0.80 1.25 1.57 -1.26 0.30 116.57 119.59 1su3 h LYS 65 Ca 0.27 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1su3 h LYS 65 Cb 0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1su3 h LYS 65 CO -0.04 0.65 0.53 1.96 -0.57 0.00 0.00 179.45 181.97 1su3 h GLN 66 N 0.90 1.05 -0.18 3.15 4.20 -1.17 -0.81 115.11 122.26 1su3 h GLN 66 Ca 0.24 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1su3 h GLN 66 Cb -0.02 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1su3 h GLN 66 CO -0.04 0.70 -0.36 1.98 -0.67 0.00 0.00 178.83 180.44 1su3 h MET 67 N 1.08 0.56 -0.64 1.46 4.05 -0.96 -0.52 114.93 119.97 1su3 h MET 67 Ca 0.29 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1su3 h MET 67 Cb -0.12 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1su3 h MET 67 CO -0.06 0.97 0.35 1.96 0.23 0.00 0.00 176.91 180.36 1su3 h GLN 68 N 0.22 0.90 -0.68 0.39 4.20 -0.87 -1.21 115.11 118.06 1su3 h GLN 68 Ca 0.01 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1su3 h GLN 68 Cb 0.95 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1su3 h GLN 68 CO 0.08 0.69 0.35 1.49 -0.67 0.00 0.00 178.83 180.77 1su3 h GLU 69 N 0.88 0.96 -0.63 1.46 4.57 -1.02 0.19 114.58 120.98 1su3 h GLU 69 Ca 0.23 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1su3 h GLU 69 Cb 0.05 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1su3 h GLU 69 CO -0.04 0.74 0.37 0.35 -1.18 0.00 0.00 179.01 179.26 1su3 h PHE 70 N 0.94 0.84 -0.21 0.92 3.57 -0.39 -2.70 116.94 119.91 1su3 h PHE 70 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1su3 h PHE 70 Cb 0.08 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1su3 h PHE 70 CO -0.00 0.58 0.00 1.19 -2.23 0.00 0.00 178.31 177.85 1su3 n PHE 71 N -4.58 0.27 -1.18 0.41 3.01 -0.52 -4.73 117.46 110.13 1su3 n PHE 71 Ca 0.05 -0.14 -0.06 0.00 1.01 0.00 0.00 57.45 58.31 1su3 n PHE 71 Cb 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.51 1su3 n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1su3 n GLY 72 N 1.12 0.83 3.80 1.37 0.00 -0.62 -5.02 105.19 106.66 1su3 n GLY 72 Ca 0.15 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1su3 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su3 s LEU 73 N -1.44 2.05 -0.06 0.99 1.43 0.56 -4.36 118.68 117.86 1su3 s LEU 73 Ca 0.00 0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 1su3 s LEU 73 Cb 0.00 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 1su3 s LEU 73 CO 0.00 -2.61 1.56 -1.59 0.23 0.00 0.00 176.35 173.94 1su3 s LYS 74 N -5.40 4.20 -0.91 1.70 0.00 -0.18 -4.54 119.74 114.62 1su3 s LYS 74 Ca 0.65 2.08 -0.24 0.00 0.00 0.00 0.00 55.97 58.47 1su3 s LYS 74 Cb -0.13 -3.88 0.05 0.00 0.00 0.00 0.00 37.83 33.87 1su3 s LYS 74 CO 0.53 -0.79 1.36 0.08 0.00 0.00 0.00 175.35 176.54 1su3 s VAL 75 N 3.69 3.89 -0.09 1.79 1.01 -1.26 -4.70 120.40 124.72 1su3 s VAL 75 Ca 0.69 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1su3 s VAL 75 Cb -0.32 -4.99 -0.07 0.00 0.00 0.00 0.00 36.38 31.00 1su3 s VAL 75 CO 0.27 -1.88 -0.06 0.35 0.00 0.00 0.00 175.10 173.77 1su3 n THR 76 N 6.63 0.56 -0.42 3.92 -2.24 -1.26 -5.03 114.28 116.44 1su3 n THR 76 Ca 0.21 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1su3 n THR 76 Cb 0.50 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1su3 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su3 n GLY 77 N 2.92 0.77 3.20 3.38 0.00 -1.26 -5.00 105.19 109.20 1su3 n GLY 77 Ca -0.16 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1su3 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1su3 s LYS 78 N -0.70 1.21 -1.33 1.61 0.00 -1.26 -4.70 119.74 114.57 1su3 s LYS 78 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 55.97 54.98 1su3 s LYS 78 Cb 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 37.83 36.58 1su3 s LYS 78 CO 0.00 0.32 2.03 -0.35 0.00 0.00 0.00 175.35 177.36 1su3 n PRO 79 N 1.98 2.75 -1.44 1.78 -0.04 -1.26 -4.97 135.00 133.80 1su3 n PRO 79 Ca -0.17 -2.72 -0.29 0.00 -0.04 0.00 0.00 63.50 60.28 1su3 n PRO 79 Cb 0.54 -3.34 0.17 0.00 -0.04 0.00 0.00 33.50 30.83 1su3 n PRO 79 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1su3 s ASP 80 N 3.88 2.85 0.37 3.54 3.84 -1.26 -4.78 116.67 125.10 1su3 s ASP 80 Ca 0.51 0.85 0.05 0.00 -0.00 0.00 0.00 52.55 53.97 1su3 s ASP 80 Cb 0.10 -1.32 0.72 0.00 -1.38 0.00 0.00 42.92 41.04 1su3 s ASP 80 CO -0.00 -2.95 1.98 0.00 -0.00 0.00 0.00 175.17 174.20 1su3 h ALA 81 N -1.78 1.56 0.12 2.11 0.00 -2.00 -2.34 119.26 116.93 1su3 h ALA 81 Ca -0.50 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.05 1su3 h ALA 81 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1su3 h ALA 81 CO 0.54 0.36 -1.27 1.49 0.00 0.00 0.00 179.25 180.37 1su3 h GLU 82 N 0.60 0.25 -0.56 0.00 4.57 -1.98 -2.51 114.58 114.95 1su3 h GLU 82 Ca 0.15 -0.43 0.04 0.00 -1.18 0.00 0.00 59.36 57.95 1su3 h GLU 82 Cb 0.07 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1su3 h GLU 82 CO -0.02 1.19 0.31 1.15 -1.18 0.00 0.00 179.01 180.46 1su3 h THR 83 N 0.07 1.00 -0.28 0.32 2.02 -1.86 -1.53 112.91 112.65 1su3 h THR 83 Ca -0.14 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1su3 h THR 83 Cb 1.97 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1su3 h THR 83 CO 0.19 0.11 -0.21 -0.07 0.37 0.00 0.00 175.52 175.91 1su3 h LEU 84 N 0.60 0.52 -0.49 2.58 3.38 -1.43 -2.51 115.31 117.96 1su3 h LEU 84 Ca 0.24 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1su3 h LEU 84 Cb 0.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1su3 h LEU 84 CO -0.14 0.73 -0.02 0.50 0.09 0.00 0.00 178.44 179.61 1su3 h LYS 85 N 0.46 0.88 -0.96 1.13 3.64 -1.14 -2.74 116.57 117.85 1su3 h LYS 85 Ca 0.07 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1su3 h LYS 85 Cb 0.62 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1su3 h LYS 85 CO 0.04 0.93 0.61 0.28 -2.27 0.00 0.00 179.45 179.04 1su3 h VAL 86 N 0.74 1.26 0.00 2.00 2.07 -1.05 -2.51 116.25 118.77 1su3 h VAL 86 Ca 0.14 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1su3 h VAL 86 Cb 0.54 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1su3 h VAL 86 CO 0.03 0.26 0.00 0.24 0.02 0.00 0.00 177.57 178.12 1su3 h MET 87 N 1.31 0.00 0.00 1.57 2.86 -1.23 -2.55 114.93 116.89 1su3 h MET 87 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1su3 h MET 87 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1su3 h MET 87 CO -0.07 0.00 -0.46 0.36 1.06 0.00 0.00 176.91 177.80 1su3 n LYS 88 N -2.35 0.27 -2.37 1.72 -0.00 -0.95 -4.93 118.16 109.56 1su3 n LYS 88 Ca 0.02 0.11 -0.41 0.00 -0.00 0.00 0.00 58.31 58.04 1su3 n LYS 88 Cb 0.27 -1.71 -0.03 0.00 -0.00 0.00 0.00 35.03 33.56 1su3 n LYS 88 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1su3 s GLN 89 N -3.14 4.49 0.37 -1.58 -1.52 -0.96 -4.80 119.66 112.51 1su3 s GLN 89 Ca 0.08 1.88 -0.27 0.00 -1.95 0.00 0.00 55.36 55.10 1su3 s GLN 89 Cb 0.13 -3.24 -0.12 0.00 -0.22 0.00 0.00 33.01 29.57 1su3 s GLN 89 CO 0.69 -0.09 1.19 -0.35 -0.25 0.00 0.00 175.29 176.47 1su3 n PRO 90 N 2.52 1.81 -3.83 2.91 -0.04 -1.26 -4.84 135.00 132.27 1su3 n PRO 90 Ca 0.04 0.64 -0.06 0.00 -0.04 0.00 0.00 63.50 64.08 1su3 n PRO 90 Cb 0.45 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1su3 n PRO 90 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1su3 s ARG 91 N -1.93 1.78 0.31 0.54 1.04 -0.57 -1.17 118.95 118.95 1su3 s ARG 91 Ca 0.59 -1.08 -0.28 0.00 -1.04 0.00 0.00 55.73 53.92 1su3 s ARG 91 Cb -0.57 0.55 -0.09 0.00 -2.04 0.00 0.00 34.95 32.79 1su3 s ARG 91 CO 0.60 -0.83 1.10 0.00 -0.04 0.00 0.00 175.30 176.13 1su3 n GLY 93 N 1.01 -1.24 3.75 0.00 0.00 0.15 -4.79 105.19 104.06 1su3 n GLY 93 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1su3 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su3 s VAL 94 N -2.92 3.59 0.80 1.61 1.01 -1.26 -4.92 120.40 118.30 1su3 s VAL 94 Ca 0.13 1.42 -0.14 0.00 0.00 0.00 0.00 61.98 63.39 1su3 s VAL 94 Cb 0.15 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1su3 s VAL 94 CO 0.40 0.27 1.00 -2.65 0.00 0.00 0.00 175.10 174.12 1su3 n PRO 95 N 2.02 0.18 0.06 2.72 -0.02 -1.26 -4.93 135.00 133.77 1su3 n PRO 95 Ca 0.02 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 1su3 n PRO 95 Cb 0.45 -2.27 0.16 0.00 -0.02 0.00 0.00 33.50 31.81 1su3 n PRO 95 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1su3 h ASP 96 N -0.83 0.00 -3.62 2.55 3.32 -1.39 -3.44 116.42 113.00 1su3 h ASP 96 Ca -0.46 -0.21 -0.48 0.00 0.02 0.00 0.00 57.03 55.90 1su3 h ASP 96 Cb 1.31 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.69 1su3 h ASP 96 CO 0.44 0.11 -0.76 0.68 -1.72 0.00 0.00 179.24 177.98 1su3 s VAL 97 N -3.18 1.66 0.00 -1.35 -7.23 -1.23 -4.81 120.40 104.27 1su3 s VAL 97 Ca 0.06 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1su3 s VAL 97 Cb 0.13 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1su3 s VAL 97 CO 0.73 -0.41 0.00 0.00 -0.31 0.00 0.00 175.10 175.11 1su3 n ALA 98 N 0.21 0.00 0.00 1.32 0.00 -1.26 -4.89 120.51 115.89 1su3 n ALA 98 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1su3 n ALA 98 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1su3 n ALA 98 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1su3 n PRO 107 N -0.95 0.00 -2.52 0.00 -0.02 -1.26 -4.98 135.00 125.27 1su3 n PRO 107 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 1su3 n PRO 107 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.54 1su3 n PRO 107 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1su3 s ARG 108 N 0.00 2.26 0.34 -0.52 3.52 -1.26 -3.24 118.95 120.05 1su3 s ARG 108 Ca 0.00 -0.74 -0.26 0.00 -0.13 0.00 0.00 55.73 54.61 1su3 s ARG 108 Cb 0.00 -2.38 -0.10 0.00 -1.56 0.00 0.00 34.95 30.92 1su3 s ARG 108 CO 0.00 -1.01 0.97 -1.58 -0.81 0.00 0.00 175.30 172.88 1su3 s TRP 109 N -2.96 3.59 -2.31 5.12 0.52 -1.26 -4.55 118.94 117.09 1su3 s TRP 109 Ca 0.60 1.74 0.29 0.00 0.02 0.00 0.00 56.10 58.76 1su3 s TRP 109 Cb -0.09 -2.98 1.36 0.00 -1.15 0.00 0.00 33.47 30.61 1su3 s TRP 109 CO 0.41 -0.00 1.92 0.39 0.02 0.00 0.00 176.95 179.69 1su3 n GLU 110 N 0.41 1.41 -3.89 4.98 1.02 -1.26 -4.92 120.64 118.40 1su3 n GLU 110 Ca 0.03 -0.61 -0.08 0.00 -0.02 0.00 0.00 57.16 56.48 1su3 n GLU 110 Cb 0.50 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 1su3 n GLU 110 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1su3 s GLN 111 N -2.01 1.86 0.04 3.49 0.00 -1.26 -5.09 119.66 116.69 1su3 s GLN 111 Ca 0.41 -1.20 0.23 0.00 -0.00 0.00 0.00 55.36 54.80 1su3 s GLN 111 Cb 0.21 0.58 -0.03 0.00 0.00 0.00 0.00 33.01 33.77 1su3 s GLN 111 CO 0.35 -0.84 0.95 0.25 0.00 0.00 0.00 175.29 176.00 1su3 n THR 112 N -0.47 0.13 -3.76 3.63 -2.24 -1.26 -4.82 114.28 105.49 1su3 n THR 112 Ca -0.04 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.13 1su3 n THR 112 Cb 0.60 0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 1su3 n THR 112 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1su3 s HIS 113 N -3.21 3.17 0.14 4.78 5.65 -1.26 -1.61 115.29 122.95 1su3 s HIS 113 Ca 0.03 -0.13 0.09 0.00 0.25 0.00 0.00 55.06 55.30 1su3 s HIS 113 Cb 0.14 -2.25 -0.04 0.00 -1.18 0.00 0.00 32.58 29.26 1su3 s HIS 113 CO 0.82 -0.17 -0.22 -0.51 -0.65 0.00 0.00 174.74 174.02 1su3 s LEU 114 N 1.36 2.37 0.19 8.88 1.43 -0.26 -4.98 118.68 127.67 1su3 s LEU 114 Ca 0.06 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 1su3 s LEU 114 Cb -0.15 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1su3 s LEU 114 CO 0.05 0.06 0.16 0.42 0.23 0.00 0.00 176.35 177.27 1su3 s THR 115 N -1.51 4.49 0.05 5.49 -4.23 -1.26 -2.05 115.64 116.62 1su3 s THR 115 Ca 0.13 -1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1su3 s THR 115 Cb -0.08 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1su3 s THR 115 CO 0.06 -0.18 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.24 1su3 s TYR 116 N -1.86 0.46 -0.01 3.99 -0.85 -0.47 -1.65 117.35 116.96 1su3 s TYR 116 Ca 0.31 -0.98 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 1su3 s TYR 116 Cb -0.09 -0.34 0.01 0.00 0.38 0.00 0.00 41.96 41.91 1su3 s TYR 116 CO 0.24 -0.38 -0.00 0.50 -1.52 0.00 0.00 175.55 174.38 1su3 s ARG 117 N -3.75 0.13 -0.49 -3.49 3.52 -0.70 -0.85 118.95 113.33 1su3 s ARG 117 Ca 0.05 0.02 -0.18 0.00 -0.13 0.00 0.00 55.73 55.49 1su3 s ARG 117 Cb 0.07 -0.22 0.06 0.00 -1.56 0.00 0.00 34.95 33.29 1su3 s ARG 117 CO -0.09 -0.04 0.55 0.42 -0.81 0.00 0.00 175.30 175.32 1su3 s ILE 118 N 0.40 4.99 0.21 4.11 1.01 -1.26 -0.73 121.20 129.93 1su3 s ILE 118 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.04 1su3 s ILE 118 Cb -0.06 -4.23 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1su3 s ILE 118 CO -0.01 -0.71 1.50 -0.33 0.00 0.00 0.00 174.94 175.39 1su3 h GLU 119 N 8.90 0.20 -3.16 2.79 5.08 -1.26 -3.47 114.58 123.67 1su3 h GLU 119 Ca -0.28 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1su3 h GLU 119 Cb 1.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1su3 h GLU 119 CO 0.93 0.82 0.18 0.54 -1.00 0.00 0.00 179.01 180.48 1su3 s ASN 120 N -6.90 -0.04 -0.03 1.42 4.22 -1.26 -5.06 114.94 107.29 1su3 s ASN 120 Ca -0.03 -0.94 0.03 0.00 -2.14 0.00 0.00 52.86 49.78 1su3 s ASN 120 Cb 0.11 0.76 -0.00 0.00 1.28 0.00 0.00 41.25 43.40 1su3 s ASN 120 CO 0.81 -1.47 -0.12 -0.31 -2.04 0.00 0.00 177.10 173.97 1su3 s TYR 121 N -3.19 1.17 0.34 1.54 1.51 -1.26 -4.47 117.35 112.99 1su3 s TYR 121 Ca 0.16 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 55.64 1su3 s TYR 121 Cb -0.05 -0.81 -0.10 0.00 -0.11 0.00 0.00 41.96 40.90 1su3 s TYR 121 CO 0.10 -0.10 1.29 -0.08 -1.11 0.00 0.00 175.55 175.65 1su3 s THR 122 N 0.06 2.78 -2.07 -0.71 -1.32 -1.26 -4.93 115.64 108.19 1su3 s THR 122 Ca -0.02 0.77 0.28 0.00 -1.21 0.00 0.00 61.69 61.51 1su3 s THR 122 Cb -0.09 -3.48 0.76 0.00 -1.51 0.00 0.00 72.50 68.18 1su3 s THR 122 CO 0.01 0.17 2.02 -0.81 -2.21 0.00 0.00 174.62 173.81 1su3 n PRO 123 N 0.73 1.10 0.25 7.08 -0.04 -1.26 -3.65 135.00 139.22 1su3 n PRO 123 Ca 0.00 -0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1su3 n PRO 123 Cb 0.42 -1.44 0.65 0.00 -0.04 0.00 0.00 33.50 33.09 1su3 n PRO 123 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1su3 h ASP 124 N 0.35 0.00 -4.46 3.54 3.32 -1.92 -3.44 116.42 113.82 1su3 h ASP 124 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1su3 h ASP 124 Cb 0.08 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.44 1su3 h ASP 124 CO 0.00 0.15 -0.74 -0.76 -1.72 0.00 0.00 179.24 176.18 1su3 s LEU 125 N -7.52 2.37 0.61 1.55 1.43 -1.24 -4.92 118.68 110.96 1su3 s LEU 125 Ca -0.03 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 1su3 s LEU 125 Cb 0.13 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 1su3 s LEU 125 CO 0.61 -0.24 1.12 -2.65 0.23 0.00 0.00 176.35 175.42 1su3 n PRO 126 N 0.75 1.08 -0.22 1.29 -0.02 -1.26 -4.85 135.00 131.76 1su3 n PRO 126 Ca -0.17 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1su3 n PRO 126 Cb 0.57 -2.33 0.42 0.00 -0.02 0.00 0.00 33.50 32.14 1su3 n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1su3 h ARG 127 N 0.65 0.58 -0.07 -0.52 3.08 -1.99 -2.17 114.38 113.94 1su3 h ARG 127 Ca -0.49 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.38 1su3 h ARG 127 Cb 1.35 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1su3 h ARG 127 CO 0.52 0.38 -0.56 0.00 -1.07 0.00 0.00 179.97 179.24 1su3 h ALA 128 N 1.62 0.91 -0.31 0.04 0.00 -1.99 -0.94 119.26 118.59 1su3 h ALA 128 Ca 0.41 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1su3 h ALA 128 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1su3 h ALA 128 CO -0.16 0.70 -0.42 -0.44 0.00 0.00 0.00 179.25 178.93 1su3 h ASP 129 N 0.17 0.83 0.25 0.00 3.45 -1.77 -0.95 116.42 118.40 1su3 h ASP 129 Ca -0.00 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.06 1su3 h ASP 129 Cb 1.04 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.58 1su3 h ASP 129 CO 0.09 1.14 -0.12 0.58 -1.57 0.00 0.00 179.24 179.35 1su3 h VAL 130 N 0.63 0.78 -0.75 -1.35 2.07 -1.29 0.87 116.25 117.20 1su3 h VAL 130 Ca 0.05 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.57 1su3 h VAL 130 Cb 0.98 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 1su3 h VAL 130 CO 0.09 0.03 0.27 0.44 0.02 0.00 0.00 177.57 178.42 1su3 h ASP 131 N -0.41 0.20 -0.00 0.57 3.32 -1.14 -1.64 116.42 117.32 1su3 h ASP 131 Ca -0.03 0.12 -0.23 0.00 0.02 0.00 0.00 57.03 56.91 1su3 h ASP 131 Cb 0.32 0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.99 1su3 h ASP 131 CO 0.06 0.06 -0.85 -0.74 -1.72 0.00 0.00 179.24 176.05 1su3 h HIS 132 N 0.39 0.94 -0.96 4.55 2.76 -0.99 -0.68 115.15 121.16 1su3 h HIS 132 Ca 0.42 -0.45 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1su3 h HIS 132 Cb 0.66 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 1su3 h HIS 132 CO -0.19 1.27 0.63 0.00 -1.30 0.00 0.00 177.93 178.34 1su3 h ALA 133 N 0.60 1.33 0.02 5.26 0.00 -0.30 -0.97 119.26 125.20 1su3 h ALA 133 Ca -0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1su3 h ALA 133 Cb 1.47 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1su3 h ALA 133 CO 0.17 0.61 -0.55 0.82 0.00 0.00 0.00 179.25 180.30 1su3 h ILE 134 N 1.28 1.47 -0.75 0.00 1.08 -1.17 -2.28 117.51 117.15 1su3 h ILE 134 Ca 0.36 -2.13 0.03 0.00 -0.39 0.00 0.00 64.86 62.73 1su3 h ILE 134 Cb -0.11 2.74 -0.04 0.00 -3.07 0.00 0.00 36.82 36.34 1su3 h ILE 134 CO -0.09 0.61 0.48 -0.08 -0.69 0.00 0.00 178.15 178.38 1su3 h GLU 135 N -0.25 0.91 -0.08 2.37 4.81 -0.98 -1.37 114.58 119.98 1su3 h GLU 135 Ca -0.07 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1su3 h GLU 135 Cb 1.29 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1su3 h GLU 135 CO 0.11 0.60 -0.49 0.87 -0.73 0.00 0.00 179.01 179.37 1su3 h LYS 136 N 0.94 0.21 -0.19 1.92 1.57 -1.22 -1.30 116.57 118.50 1su3 h LYS 136 Ca 0.29 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1su3 h LYS 136 Cb -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1su3 h LYS 136 CO -0.10 0.65 0.01 0.00 -0.57 0.00 0.00 179.45 179.44 1su3 h ALA 137 N 1.33 0.25 -0.85 3.86 0.00 -0.73 -2.30 119.26 120.83 1su3 h ALA 137 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1su3 h ALA 137 Cb 0.92 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1su3 h ALA 137 CO 0.07 -0.04 0.49 0.74 0.00 0.00 0.00 179.25 180.51 1su3 h PHE 138 N 0.09 1.13 -0.60 0.00 0.04 -1.09 -2.65 116.94 113.87 1su3 h PHE 138 Ca 0.05 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.87 1su3 h PHE 138 Cb 0.37 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1su3 h PHE 138 CO 0.03 0.76 0.40 0.37 -0.60 0.00 0.00 178.31 179.27 1su3 h GLN 139 N 1.17 0.59 -0.62 1.51 4.15 -1.00 -1.43 115.11 119.48 1su3 h GLN 139 Ca 0.30 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.74 1su3 h GLN 139 Cb -0.02 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.49 1su3 h GLN 139 CO -0.05 0.39 0.35 -0.07 -1.93 0.00 0.00 178.83 177.51 1su3 h LEU 140 N 0.60 0.52 -0.07 -2.39 3.38 -1.03 -0.36 115.31 115.96 1su3 h LEU 140 Ca 0.25 0.02 -0.25 0.00 0.09 0.00 0.00 57.88 58.00 1su3 h LEU 140 Cb 0.24 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.92 1su3 h LEU 140 CO -0.07 0.35 -0.95 -0.50 0.09 0.00 0.00 178.44 177.36 1su3 h TRP 141 N 0.65 1.04 0.00 1.13 4.06 -1.48 -3.13 115.95 118.23 1su3 h TRP 141 Ca 0.27 -0.53 -0.01 0.00 2.06 0.00 0.00 58.89 60.69 1su3 h TRP 141 Cb 0.14 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.17 1su3 h TRP 141 CO -0.08 1.36 -0.03 0.66 -3.56 0.00 0.00 178.44 176.79 1su3 h SER 142 N 0.44 0.00 0.00 -3.49 4.64 -1.07 -3.01 113.55 111.06 1su3 h SER 142 Ca -0.10 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1su3 h SER 142 Cb 1.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 1su3 h SER 142 CO 0.19 0.03 -0.04 0.78 -0.87 0.00 0.00 176.83 176.92 1su3 h ASN 143 N 0.00 0.09 -0.18 4.97 -0.26 -1.00 -3.17 115.58 116.02 1su3 h ASN 143 Ca -0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1su3 h ASN 143 Cb 0.66 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1su3 h ASN 143 CO 0.00 0.15 0.00 1.33 -1.06 0.00 0.00 177.43 177.85 1su3 n VAL 144 N -4.43 1.22 -4.19 2.81 0.24 -1.14 -4.66 118.33 108.18 1su3 n VAL 144 Ca -0.02 -1.21 -0.16 0.00 -2.04 0.00 0.00 64.34 60.92 1su3 n VAL 144 Cb 0.16 0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 1su3 n VAL 144 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1su3 s THR 145 N -1.36 0.00 -2.09 3.34 -4.23 -1.20 -2.87 115.64 107.22 1su3 s THR 145 Ca 0.18 -1.83 0.20 0.00 -1.18 0.00 0.00 61.69 59.06 1su3 s THR 145 Cb 0.11 -2.53 0.53 0.00 1.34 0.00 0.00 72.50 71.96 1su3 s THR 145 CO 0.08 0.00 1.70 -0.81 -0.54 0.00 0.00 174.62 175.05 1su3 n PRO 146 N -0.52 1.23 -1.83 3.99 -0.05 -1.24 -3.85 135.00 132.72 1su3 n PRO 146 Ca 0.04 -0.34 -0.42 0.00 -0.05 0.00 0.00 63.50 62.73 1su3 n PRO 146 Cb 0.63 -1.34 -0.02 0.00 -0.05 0.00 0.00 33.50 32.72 1su3 n PRO 146 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1su3 s LEU 147 N -1.61 4.36 0.20 1.53 1.43 -1.26 -4.82 118.68 118.51 1su3 s LEU 147 Ca 0.31 2.82 0.07 0.00 -1.03 0.00 0.00 54.13 56.29 1su3 s LEU 147 Cb 0.15 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1su3 s LEU 147 CO 0.24 -0.88 -0.13 0.42 0.23 0.00 0.00 176.35 176.23 1su3 s THR 148 N 0.57 1.63 -0.04 5.49 -4.23 -0.63 -4.49 115.64 113.93 1su3 s THR 148 Ca 0.67 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1su3 s THR 148 Cb -0.47 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1su3 s THR 148 CO 0.39 -0.59 0.11 -0.36 -0.54 0.00 0.00 174.62 173.63 1su3 s PHE 149 N -3.04 -0.12 -0.07 3.99 0.08 -1.26 -1.10 117.98 116.47 1su3 s PHE 149 Ca 0.22 0.32 0.03 0.00 0.12 0.00 0.00 56.93 57.62 1su3 s PHE 149 Cb 0.00 -0.00 0.01 0.00 -0.57 0.00 0.00 43.02 42.46 1su3 s PHE 149 CO 0.06 -0.08 -0.15 0.99 -0.10 0.00 0.00 175.22 175.94 1su3 s THR 150 N 0.36 1.35 -0.19 0.64 2.01 -0.87 -4.99 115.64 113.96 1su3 s THR 150 Ca -0.03 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.09 1su3 s THR 150 Cb -0.04 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.26 1su3 s THR 150 CO -0.01 0.40 0.88 -0.75 -0.69 0.00 0.00 174.62 174.45 1su3 s LYS 151 N 0.47 4.27 -0.03 4.92 2.20 -1.26 -1.36 119.74 128.95 1su3 s LYS 151 Ca -0.13 1.09 -0.03 0.00 -0.36 0.00 0.00 55.97 56.54 1su3 s LYS 151 Cb -0.15 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1su3 s LYS 151 CO 0.04 -0.43 0.15 0.14 -0.36 0.00 0.00 175.35 174.90 1su3 s VAL 152 N 2.49 5.29 -2.26 4.02 -7.23 -0.03 -4.95 120.40 117.73 1su3 s VAL 152 Ca 0.39 -0.15 0.22 0.00 -1.81 0.00 0.00 61.98 60.63 1su3 s VAL 152 Cb -0.16 -3.43 0.49 0.00 0.56 0.00 0.00 36.38 33.84 1su3 s VAL 152 CO 0.10 0.38 1.45 -1.54 -0.31 0.00 0.00 175.10 175.19 1su3 n SER 153 N 1.18 3.28 -3.19 4.85 3.41 -1.26 -4.48 113.62 117.40 1su3 n SER 153 Ca -0.13 -1.97 -0.05 0.00 -0.26 0.00 0.00 58.87 56.47 1su3 n SER 153 Cb 0.53 -0.31 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1su3 n SER 153 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1su3 s GLU 154 N -1.37 1.61 1.10 4.33 0.41 -1.26 -5.10 118.70 118.42 1su3 s GLU 154 Ca 0.40 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 1su3 s GLU 154 Cb 0.22 0.45 0.00 0.00 -1.78 0.00 0.00 34.13 33.02 1su3 s GLU 154 CO 0.30 -0.76 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 1su3 n GLY 155 N -0.66 -2.01 3.83 -1.39 0.00 -1.26 -4.74 105.19 98.96 1su3 n GLY 155 Ca -0.04 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 1su3 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su3 s GLN 156 N 0.00 3.79 0.35 1.61 -1.52 -1.26 -5.05 119.66 117.59 1su3 s GLN 156 Ca 0.00 0.14 0.08 0.00 -1.95 0.00 0.00 55.36 53.63 1su3 s GLN 156 Cb 0.00 -3.25 -0.03 0.00 -0.22 0.00 0.00 33.01 29.51 1su3 s GLN 156 CO 0.00 0.65 0.25 0.00 -0.25 0.00 0.00 175.29 175.94 1su3 s ALA 157 N -0.78 3.76 0.20 6.09 0.00 -1.26 -5.03 121.76 124.73 1su3 s ALA 157 Ca 0.19 -1.77 -0.10 0.00 0.00 0.00 0.00 51.96 50.29 1su3 s ALA 157 Cb -0.14 -0.97 0.13 0.00 0.00 0.00 0.00 23.12 22.13 1su3 s ALA 157 CO 0.08 -0.03 1.77 -0.44 0.00 0.00 0.00 175.76 177.14 1su3 h ASP 158 N 1.31 0.98 -3.76 0.00 3.32 -1.83 -3.39 116.42 113.05 1su3 h ASP 158 Ca -0.44 -0.16 -0.66 0.00 0.02 0.00 0.00 57.03 55.79 1su3 h ASP 158 Cb 1.26 -0.25 -0.39 0.00 0.22 0.00 0.00 39.33 40.17 1su3 h ASP 158 CO 0.60 0.87 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.61 1su3 s ILE 159 N -5.59 2.22 -0.16 0.35 1.01 -0.66 -4.39 121.20 113.98 1su3 s ILE 159 Ca -0.13 -2.03 -0.15 0.00 0.00 0.00 0.00 60.65 58.34 1su3 s ILE 159 Cb 0.15 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1su3 s ILE 159 CO 0.82 -0.36 0.33 -0.04 0.00 0.00 0.00 174.94 175.69 1su3 s MET 160 N 0.99 4.27 -0.13 2.79 -1.94 -1.26 -1.71 119.30 122.30 1su3 s MET 160 Ca 0.02 0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.16 1su3 s MET 160 Cb -0.19 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.20 1su3 s MET 160 CO -0.07 0.20 -0.14 0.42 -0.01 0.00 0.00 175.02 175.42 1su3 s ILE 161 N 0.56 2.91 0.13 2.53 1.01 0.09 -1.11 121.20 127.32 1su3 s ILE 161 Ca 0.18 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 1su3 s ILE 161 Cb -0.13 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1su3 s ILE 161 CO 0.05 0.53 0.20 -0.94 0.00 0.00 0.00 174.94 174.78 1su3 s SER 162 N 0.41 0.14 -0.16 3.58 1.04 -0.80 -0.62 113.70 117.28 1su3 s SER 162 Ca -0.11 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 1su3 s SER 162 Cb -0.16 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1su3 s SER 162 CO 0.05 -0.81 -0.07 -0.36 0.98 0.00 0.00 173.24 173.04 1su3 s PHE 163 N -3.96 2.94 0.11 5.02 0.40 -1.26 -0.83 117.98 120.40 1su3 s PHE 163 Ca 0.15 -0.55 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1su3 s PHE 163 Cb 0.05 -1.96 -0.00 0.00 0.51 0.00 0.00 43.02 41.62 1su3 s PHE 163 CO -0.03 -0.21 0.22 0.14 0.70 0.00 0.00 175.22 176.04 1su3 s VAL 164 N 0.64 0.12 0.08 -0.44 -7.23 -0.43 -4.85 120.40 108.29 1su3 s VAL 164 Ca -0.04 -1.19 0.05 0.00 -1.81 0.00 0.00 61.98 58.99 1su3 s VAL 164 Cb -0.15 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1su3 s VAL 164 CO 0.03 -0.56 -0.14 0.00 -0.31 0.00 0.00 175.10 174.12 1su3 s ARG 165 N -3.88 0.83 1.22 4.82 3.03 -1.26 0.19 118.95 123.91 1su3 s ARG 165 Ca 0.07 -0.98 0.00 0.00 2.03 0.00 0.00 55.73 56.85 1su3 s ARG 165 Cb 0.04 -0.82 0.00 0.00 -1.03 0.00 0.00 34.95 33.15 1su3 s ARG 165 CO -0.09 0.18 0.00 0.41 -1.13 0.00 0.00 175.30 174.67 1su3 n GLY 166 N 1.19 2.33 3.71 3.88 0.00 -1.26 -4.23 105.19 110.81 1su3 n GLY 166 Ca -0.21 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1su3 n GLY 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su3 s ASP 167 N -4.00 7.14 -0.03 1.61 1.01 -1.26 -1.60 116.67 119.55 1su3 s ASP 167 Ca 0.00 1.90 0.22 0.00 0.71 0.00 0.00 52.55 55.38 1su3 s ASP 167 Cb 0.00 -2.57 0.38 0.00 1.01 0.00 0.00 42.92 41.74 1su3 s ASP 167 CO 0.00 -0.44 1.15 0.00 0.21 0.00 0.00 175.17 176.09 1su3 n HIS 168 N 4.14 0.07 -0.79 4.23 1.44 -1.26 -5.02 115.22 118.03 1su3 n HIS 168 Ca 0.09 -0.65 0.00 0.00 -2.01 0.00 0.00 57.72 55.15 1su3 n HIS 168 Cb 0.47 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.54 1su3 n HIS 168 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 1su3 n ARG 169 N 0.32 0.00 -0.00 -1.40 0.00 -1.26 -4.92 116.66 109.39 1su3 n ARG 169 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1su3 n ARG 169 Cb 1.06 -2.71 0.00 0.00 -0.00 0.00 0.00 32.46 30.82 1su3 n ARG 169 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1su3 n ASP 170 N 0.69 1.47 0.00 2.89 5.75 -1.26 -5.00 116.55 121.08 1su3 n ASP 170 Ca 0.00 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1su3 n ASP 170 Cb 0.00 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1su3 n ASP 170 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1su3 n ASN 171 N -0.20 -1.82 -3.64 -1.12 4.13 -1.26 -4.96 115.26 106.38 1su3 n ASN 171 Ca 0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.99 1su3 n ASN 171 Cb 0.12 -0.52 -0.11 0.00 -1.54 0.00 0.00 39.78 37.73 1su3 n ASN 171 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1su3 n SER 172 N -0.05 1.54 -4.77 6.41 7.64 -1.26 -5.11 113.62 118.02 1su3 n SER 172 Ca 0.00 -2.87 -0.41 0.00 1.01 0.00 0.00 58.87 56.61 1su3 n SER 172 Cb 0.02 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 1su3 n SER 172 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1su3 s PRO 173 N -0.90 4.37 1.02 1.43 0.02 -1.26 -4.87 135.00 134.81 1su3 s PRO 173 Ca 0.29 2.19 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 1su3 s PRO 173 Cb 0.01 -3.08 0.20 0.00 0.02 0.00 0.00 34.50 31.65 1su3 s PRO 173 CO -0.17 -0.18 1.13 -0.06 -0.33 0.00 0.00 177.00 177.39 1su3 s PHE 174 N -1.07 1.78 -0.03 6.54 0.08 -0.62 -4.93 117.98 119.73 1su3 s PHE 174 Ca 0.49 0.76 0.04 0.00 0.12 0.00 0.00 56.93 58.34 1su3 s PHE 174 Cb -0.39 -3.43 0.07 0.00 -0.57 0.00 0.00 43.02 38.69 1su3 s PHE 174 CO 0.52 -2.97 0.93 -0.40 -0.10 0.00 0.00 175.22 173.20 1su3 n ASP 175 N -4.17 0.72 0.00 1.36 5.75 -1.26 -4.14 116.55 114.82 1su3 n ASP 175 Ca 0.08 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1su3 n ASP 175 Cb 0.59 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1su3 n ASP 175 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1su3 n GLY 176 N -0.37 -1.97 3.57 6.12 0.00 -1.26 -4.91 105.19 106.37 1su3 n GLY 176 Ca 0.04 -1.77 -0.48 0.00 0.00 0.00 0.00 46.02 43.80 1su3 n GLY 176 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1su3 n PRO 177 N -0.03 1.15 0.00 1.61 -0.02 -1.25 -4.72 135.00 131.74 1su3 n PRO 177 Ca 0.00 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1su3 n PRO 177 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1su3 n PRO 177 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1su3 n GLY 178 N 1.94 -0.92 7.00 -1.23 0.00 -1.26 -4.96 105.19 105.75 1su3 n GLY 178 Ca 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1su3 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su3 n GLY 179 N 0.00 3.96 3.63 -0.02 0.00 -1.26 -4.45 105.19 107.05 1su3 n GLY 179 Ca 0.00 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1su3 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1su3 s ASN 180 N -4.00 6.20 0.01 1.61 3.84 -1.26 -1.51 114.94 119.82 1su3 s ASN 180 Ca 0.00 2.06 0.15 0.00 0.21 0.00 0.00 52.86 55.28 1su3 s ASN 180 Cb 0.00 -2.53 -0.18 0.00 -0.55 0.00 0.00 41.25 37.99 1su3 s ASN 180 CO 0.00 -1.34 0.73 0.18 -2.79 0.00 0.00 177.10 173.87 1su3 n LEU 181 N 8.86 0.83 -3.60 3.21 4.77 -0.23 -4.67 117.00 126.17 1su3 n LEU 181 Ca 0.22 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1su3 n LEU 181 Cb 0.44 0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1su3 n LEU 181 CO 0.66 0.26 1.14 0.00 -1.33 0.00 0.00 177.39 178.12 1su3 s ALA 182 N -2.77 -2.29 0.25 -1.18 0.00 -1.26 -1.71 121.76 112.80 1su3 s ALA 182 Ca -0.04 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 1su3 s ALA 182 Cb 0.08 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1su3 s ALA 182 CO 0.82 -0.82 0.64 -3.38 0.00 0.00 0.00 175.76 173.01 1su3 s HIS 183 N -2.18 -0.09 0.02 0.00 -3.43 -0.27 -0.68 115.29 108.66 1su3 s HIS 183 Ca 0.13 -0.32 -0.19 0.00 -0.80 0.00 0.00 55.06 53.88 1su3 s HIS 183 Cb 0.03 0.56 0.04 0.00 -1.43 0.00 0.00 32.58 31.78 1su3 s HIS 183 CO -0.04 -1.12 0.44 0.00 -2.00 0.00 0.00 174.74 172.01 1su3 s ALA 184 N -3.92 -1.09 -0.02 -1.38 0.00 -1.26 -0.46 121.76 113.62 1su3 s ALA 184 Ca 0.12 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1su3 s ALA 184 Cb -0.04 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1su3 s ALA 184 CO 0.05 -0.41 0.15 -0.06 0.00 0.00 0.00 175.76 175.49 1su3 s PHE 185 N -2.07 3.50 0.91 0.00 0.40 -0.18 -4.83 117.98 115.71 1su3 s PHE 185 Ca -0.08 0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 56.50 1su3 s PHE 185 Cb -0.02 -1.83 0.14 0.00 0.51 0.00 0.00 43.02 41.83 1su3 s PHE 185 CO 0.01 0.64 1.12 -0.65 0.70 0.00 0.00 175.22 177.04 1su3 s GLN 186 N -1.76 1.09 0.52 0.44 -1.52 -1.26 -1.72 119.66 115.45 1su3 s GLN 186 Ca 0.25 1.36 -0.21 0.00 -1.95 0.00 0.00 55.36 54.80 1su3 s GLN 186 Cb -0.12 -1.75 -0.07 0.00 -0.22 0.00 0.00 33.01 30.84 1su3 s GLN 186 CO 0.16 -2.52 1.05 -2.30 -0.25 0.00 0.00 175.29 171.43 1su3 n PRO 187 N -4.14 1.24 0.00 2.91 -0.02 -1.20 -1.49 135.00 132.30 1su3 n PRO 187 Ca 0.10 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1su3 n PRO 187 Cb 0.53 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1su3 n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1su3 n GLY 188 N 1.15 1.05 3.75 -1.23 0.00 -1.25 -4.41 105.19 104.25 1su3 n GLY 188 Ca 0.11 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1su3 n GLY 188 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1su3 s PRO 189 N -1.92 1.26 7.64 1.61 0.04 -1.26 -3.97 135.00 138.39 1su3 s PRO 189 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1su3 s PRO 189 Cb 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1su3 s PRO 189 CO 0.00 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.28 1su3 n GLY 190 N -1.73 2.47 0.01 0.56 0.00 -1.26 -2.23 105.19 103.01 1su3 n GLY 190 Ca 0.06 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.89 1su3 n GLY 190 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1su3 n ILE 191 N 0.00 0.00 -1.57 -0.61 3.06 -1.26 -4.87 119.36 114.11 1su3 n ILE 191 Ca 0.00 -0.00 -0.54 0.00 -2.50 0.00 0.00 62.75 59.71 1su3 n ILE 191 Cb 0.00 -0.46 -0.06 0.00 0.54 0.00 0.00 39.64 39.65 1su3 n ILE 191 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1su3 n GLY 192 N 1.36 0.26 2.43 4.50 0.00 -0.95 -1.52 105.19 111.27 1su3 n GLY 192 Ca 0.12 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1su3 n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su3 n GLY 193 N 2.25 2.43 3.79 -0.02 0.00 -0.56 -4.56 105.19 108.51 1su3 n GLY 193 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1su3 n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su3 s ASP 194 N -3.37 6.05 -0.09 1.61 1.11 -0.58 -4.44 116.67 116.97 1su3 s ASP 194 Ca 0.00 2.02 0.02 0.00 0.18 0.00 0.00 52.55 54.77 1su3 s ASP 194 Cb 0.00 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.44 1su3 s ASP 194 CO 0.00 -0.99 -0.12 0.00 1.18 0.00 0.00 175.17 175.24 1su3 s ALA 195 N -1.93 1.41 -0.13 5.23 0.00 -0.27 -1.01 121.76 125.06 1su3 s ALA 195 Ca 0.69 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1su3 s ALA 195 Cb -0.19 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1su3 s ALA 195 CO 0.24 -0.04 -0.18 -1.01 0.00 0.00 0.00 175.76 174.77 1su3 s HIS 196 N 0.95 2.72 -0.09 0.00 3.76 0.39 -1.91 115.29 121.11 1su3 s HIS 196 Ca -0.09 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 53.82 1su3 s HIS 196 Cb -0.15 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1su3 s HIS 196 CO 0.00 -0.42 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.39 1su3 s PHE 197 N 0.59 3.07 -0.29 1.40 0.40 -0.01 -1.12 117.98 122.02 1su3 s PHE 197 Ca -0.10 0.07 -0.29 0.00 -0.60 0.00 0.00 56.93 56.01 1su3 s PHE 197 Cb -0.16 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1su3 s PHE 197 CO 0.03 0.35 1.13 0.34 0.70 0.00 0.00 175.22 177.77 1su3 s ASP 198 N -0.67 6.91 0.33 1.36 -1.08 -0.69 -1.31 116.67 121.52 1su3 s ASP 198 Ca 0.10 1.18 0.26 0.00 -0.52 0.00 0.00 52.55 53.58 1su3 s ASP 198 Cb -0.12 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.72 1su3 s ASP 198 CO 0.02 -0.87 1.77 -0.08 0.52 0.00 0.00 175.17 176.53 1su3 h GLU 199 N 8.21 0.00 0.00 4.34 4.57 -0.58 -2.25 114.58 128.87 1su3 h GLU 199 Ca -0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1su3 h GLU 199 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1su3 h GLU 199 CO 1.02 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.60 1su3 n ASP 200 N -2.56 0.00 -4.88 1.04 10.43 -1.26 -4.72 116.55 114.60 1su3 n ASP 200 Ca 0.03 -0.09 -0.30 0.00 2.57 0.00 0.00 54.79 57.00 1su3 n ASP 200 Cb 0.35 -0.23 -0.04 0.00 1.84 0.00 0.00 41.12 43.03 1su3 n ASP 200 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1su3 s GLU 201 N -2.47 3.75 -0.51 -1.24 0.41 -0.85 -3.89 118.70 113.91 1su3 s GLU 201 Ca 0.19 0.26 -0.27 0.00 -0.41 0.00 0.00 54.97 54.74 1su3 s GLU 201 Cb 0.12 -2.57 0.03 0.00 -1.78 0.00 0.00 34.13 29.94 1su3 s GLU 201 CO 0.27 0.18 1.07 0.50 -0.49 0.00 0.00 175.26 176.79 1su3 s ARG 202 N -3.34 3.57 -0.08 1.61 3.52 -1.26 -5.03 118.95 117.95 1su3 s ARG 202 Ca 0.48 0.27 -0.25 0.00 -0.13 0.00 0.00 55.73 56.10 1su3 s ARG 202 Cb -0.11 -3.96 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 1su3 s ARG 202 CO 0.26 -1.43 0.78 -1.58 -0.81 0.00 0.00 175.30 172.53 1su3 s TRP 203 N 4.33 3.56 0.39 5.12 0.52 -1.26 -0.39 118.94 131.22 1su3 s TRP 203 Ca 0.42 1.33 0.06 0.00 0.02 0.00 0.00 56.10 57.93 1su3 s TRP 203 Cb -0.09 -2.91 -0.07 0.00 -1.15 0.00 0.00 33.47 29.25 1su3 s TRP 203 CO 0.27 -0.00 0.02 0.95 0.02 0.00 0.00 176.95 178.21 1su3 s THR 204 N 1.13 1.79 -0.18 2.01 -4.23 -0.06 -4.52 115.64 111.57 1su3 s THR 204 Ca 0.40 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.06 1su3 s THR 204 Cb -0.18 -2.93 0.39 0.00 1.34 0.00 0.00 72.50 71.12 1su3 s THR 204 CO 0.19 0.00 1.25 -0.46 -0.54 0.00 0.00 174.62 175.05 1su3 n ASN 205 N -0.92 2.34 -0.32 3.99 6.94 -1.26 -1.72 115.26 124.30 1su3 n ASN 205 Ca -0.05 -3.44 0.00 0.00 -0.02 0.00 0.00 54.58 51.07 1su3 n ASN 205 Cb 0.67 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1su3 n ASN 205 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1su3 n ASN 206 N -1.18 0.00 0.00 0.53 6.94 -1.26 -5.04 115.26 115.25 1su3 n ASN 206 Ca 0.20 -0.32 0.05 0.00 -0.02 0.00 0.00 54.58 54.49 1su3 n ASN 206 Cb 0.74 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.40 1su3 n ASN 206 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1su3 n PHE 207 N 0.00 0.00 -2.52 -2.53 -1.74 -1.26 -4.44 117.46 104.97 1su3 n PHE 207 Ca 0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.51 1su3 n PHE 207 Cb 0.00 -0.50 -0.04 0.00 1.52 0.00 0.00 39.48 40.46 1su3 n PHE 207 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1su3 s ARG 208 N -2.99 4.42 0.16 3.97 0.52 -1.26 -4.90 118.95 118.86 1su3 s ARG 208 Ca 0.06 1.65 -0.31 0.00 -0.52 0.00 0.00 55.73 56.61 1su3 s ARG 208 Cb 0.07 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.58 1su3 s ARG 208 CO 0.21 0.05 1.44 -1.21 0.02 0.00 0.00 175.30 175.81 1su3 s GLU 209 N -1.94 4.29 -0.15 3.54 2.02 -1.26 -3.20 118.70 121.99 1su3 s GLU 209 Ca 0.51 2.20 -0.01 0.00 0.02 0.00 0.00 54.97 57.69 1su3 s GLU 209 Cb -0.27 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 1su3 s GLU 209 CO 0.34 -0.46 -0.12 0.71 0.02 0.00 0.00 175.26 175.75 1su3 s TYR 210 N 0.81 2.83 -0.15 1.61 1.51 0.48 -4.72 117.35 119.72 1su3 s TYR 210 Ca 0.64 -0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1su3 s TYR 210 Cb -0.40 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.51 1su3 s TYR 210 CO 0.34 -0.30 1.84 1.21 -1.11 0.00 0.00 175.55 177.52 1su3 s ASN 211 N 0.60 6.19 0.14 2.29 3.84 -1.19 -0.89 114.94 125.92 1su3 s ASN 211 Ca -0.07 1.97 -0.15 0.00 0.21 0.00 0.00 52.86 54.81 1su3 s ASN 211 Cb -0.15 -2.53 0.01 0.00 -0.55 0.00 0.00 41.25 38.03 1su3 s ASN 211 CO 0.03 -1.36 1.69 0.25 -2.79 0.00 0.00 177.10 174.92 1su3 h LEU 212 N 12.15 0.59 -0.78 3.21 5.85 -1.68 -1.91 115.31 132.74 1su3 h LEU 212 Ca -0.39 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.21 1su3 h LEU 212 Cb 1.19 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1su3 h LEU 212 CO 0.97 0.60 0.48 -0.74 -0.34 0.00 0.00 178.44 179.41 1su3 h HIS 213 N 0.55 0.89 -0.45 1.25 2.76 -1.81 0.17 115.15 118.50 1su3 h HIS 213 Ca 0.14 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1su3 h HIS 213 Cb 0.19 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1su3 h HIS 213 CO 0.00 0.46 0.09 -0.09 -1.30 0.00 0.00 177.93 177.09 1su3 h ARG 214 N 0.89 0.74 -0.23 5.26 9.65 -1.81 -0.84 114.38 128.04 1su3 h ARG 214 Ca 0.33 -0.19 -0.18 0.00 -1.10 0.00 0.00 59.98 58.84 1su3 h ARG 214 Cb 0.13 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1su3 h ARG 214 CO -0.16 0.76 -0.59 0.28 2.80 0.00 0.00 179.97 183.07 1su3 h VAL 215 N 0.61 1.29 -0.59 0.20 2.07 -1.02 -3.04 116.25 115.78 1su3 h VAL 215 Ca 0.14 -1.80 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1su3 h VAL 215 Cb 0.36 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1su3 h VAL 215 CO 0.01 0.57 0.15 0.00 0.02 0.00 0.00 177.57 178.32 1su3 h ALA 216 N 0.77 1.16 -0.93 1.67 0.00 -0.49 -0.94 119.26 120.50 1su3 h ALA 216 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1su3 h ALA 216 Cb 1.18 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1su3 h ALA 216 CO 0.12 0.57 0.59 0.00 0.00 0.00 0.00 179.25 180.53 1su3 h ALA 217 N 1.29 1.18 0.01 0.00 0.00 -1.04 -1.32 119.26 119.37 1su3 h ALA 217 Ca 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1su3 h ALA 217 Cb 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1su3 h ALA 217 CO -0.00 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 181.10 1su3 h HIS 218 N 1.27 -0.01 -0.49 0.00 6.17 -1.40 -2.88 115.15 117.80 1su3 h HIS 218 Ca 0.34 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.45 1su3 h HIS 218 Cb -0.10 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 29.80 1su3 h HIS 218 CO -0.00 0.41 0.27 0.93 0.71 0.00 0.00 177.93 180.24 1su3 h GLU 219 N -0.43 0.51 0.00 5.26 5.08 -1.00 -2.12 114.58 121.87 1su3 h GLU 219 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1su3 h GLU 219 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1su3 h GLU 219 CO 0.00 0.34 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.10 1su3 h LEU 220 N 0.53 0.00 -0.57 1.33 3.38 -1.33 -0.90 115.31 117.76 1su3 h LEU 220 Ca 0.21 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.30 1su3 h LEU 220 Cb 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 1su3 h LEU 220 CO -0.13 0.18 -0.05 1.23 0.09 0.00 0.00 178.44 179.76 1su3 h GLY 221 N 0.79 0.53 1.02 0.83 0.00 -1.15 -0.65 103.07 104.44 1su3 h GLY 221 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1su3 h GLY 221 CO 0.02 -0.19 0.28 0.45 0.00 0.00 0.00 176.54 177.09 1su3 h HIS 222 N 0.07 1.07 -0.05 5.60 3.86 -1.13 0.36 115.15 124.92 1su3 h HIS 222 Ca 0.29 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1su3 h HIS 222 Cb 0.45 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1su3 h HIS 222 CO -0.39 0.83 0.04 0.77 0.86 0.00 0.00 177.93 180.04 1su3 h SER 223 N 1.00 0.00 0.09 2.45 0.02 -0.63 -1.67 113.55 114.81 1su3 h SER 223 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1su3 h SER 223 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1su3 h SER 223 CO -0.02 0.00 -0.57 0.18 -1.14 0.00 0.00 176.83 175.28 1su3 n LEU 224 N -4.15 1.42 0.00 5.07 4.77 -0.35 -3.72 117.00 120.04 1su3 n LEU 224 Ca -0.02 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1su3 n LEU 224 Cb 0.14 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1su3 n LEU 224 CO 0.31 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1su3 n GLY 225 N 1.43 1.38 3.91 -0.72 0.00 -0.63 -4.87 105.19 105.69 1su3 n GLY 225 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1su3 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su3 s LEU 226 N 0.00 3.95 0.54 0.99 1.43 0.04 -4.97 118.68 120.66 1su3 s LEU 226 Ca 0.00 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1su3 s LEU 226 Cb 0.00 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.61 1su3 s LEU 226 CO 0.00 -0.30 0.13 -0.44 0.23 0.00 0.00 176.35 175.97 1su3 s SER 227 N -3.45 4.31 0.41 2.29 0.01 -1.26 -3.88 113.70 112.14 1su3 s SER 227 Ca 0.45 -1.58 -0.25 0.00 1.31 0.00 0.00 55.95 55.89 1su3 s SER 227 Cb -0.10 0.64 -0.08 0.00 0.21 0.00 0.00 66.02 66.68 1su3 s SER 227 CO 0.33 -1.00 1.16 -1.00 0.41 0.00 0.00 173.24 173.14 1su3 s HIS 228 N -2.87 3.04 0.04 2.43 0.09 -1.26 -4.94 115.29 111.82 1su3 s HIS 228 Ca 0.11 1.56 -0.00 0.00 -0.00 0.00 0.00 55.06 56.72 1su3 s HIS 228 Cb -0.01 -3.37 -0.04 0.00 -0.00 0.00 0.00 32.58 29.16 1su3 s HIS 228 CO 0.07 -1.31 0.17 0.45 -0.00 0.00 0.00 174.74 174.12 1su3 s SER 229 N -1.21 6.15 0.00 1.40 0.15 -0.46 -4.97 113.70 114.75 1su3 s SER 229 Ca 0.58 0.22 0.28 0.00 0.70 0.00 0.00 55.95 57.74 1su3 s SER 229 Cb -0.30 -1.85 1.07 0.00 -1.71 0.00 0.00 66.02 63.24 1su3 s SER 229 CO 0.37 0.20 1.78 0.35 1.20 0.00 0.00 173.24 177.14 1su3 n THR 230 N 0.54 0.00 -2.55 6.45 -2.24 -1.26 -4.16 114.28 111.06 1su3 n THR 230 Ca -0.08 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1su3 n THR 230 Cb 0.52 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1su3 n THR 230 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1su3 s ASP 231 N -2.68 6.59 0.60 3.42 -1.08 -1.26 -4.89 116.67 117.36 1su3 s ASP 231 Ca 0.22 0.58 0.32 0.00 -0.52 0.00 0.00 52.55 53.15 1su3 s ASP 231 Cb 0.19 -2.55 1.92 0.00 -1.46 0.00 0.00 42.92 41.02 1su3 s ASP 231 CO 0.53 -1.27 2.28 -0.29 0.52 0.00 0.00 175.17 176.93 1su3 h ILE 232 N 6.25 0.45 0.00 4.11 2.10 -1.96 0.15 117.51 128.62 1su3 h ILE 232 Ca -0.24 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1su3 h ILE 232 Cb 1.07 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1su3 h ILE 232 CO 1.11 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.79 1su3 n GLY 233 N -1.28 -1.34 3.84 8.18 0.00 -1.26 -4.88 105.19 108.45 1su3 n GLY 233 Ca -0.03 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1su3 n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su3 s ALA 234 N -3.01 3.49 0.52 4.61 0.00 0.04 -4.62 121.76 122.79 1su3 s ALA 234 Ca 0.11 -0.04 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1su3 s ALA 234 Cb 0.15 -2.63 1.29 0.00 0.00 0.00 0.00 23.12 21.93 1su3 s ALA 234 CO 0.44 0.41 2.10 -0.07 0.00 0.00 0.00 175.76 178.64 1su3 h LEU 235 N 3.16 0.02 -0.47 0.00 3.38 -1.87 -2.20 115.31 117.33 1su3 h LEU 235 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1su3 h LEU 235 Cb 1.19 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1su3 h LEU 235 CO 0.66 0.01 0.00 0.23 0.09 0.00 0.00 178.44 179.43 1su3 n MET 236 N -4.49 1.31 -1.73 1.13 2.81 -1.26 -4.65 117.12 110.23 1su3 n MET 236 Ca 0.01 -0.47 -0.39 0.00 -1.81 0.00 0.00 57.70 55.04 1su3 n MET 236 Cb 0.25 -1.26 0.03 0.00 -0.71 0.00 0.00 33.22 31.53 1su3 n MET 236 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1su3 n TYR 237 N -0.26 2.30 0.04 2.03 9.36 -0.83 -1.35 117.16 128.44 1su3 n TYR 237 Ca 0.12 0.45 -0.05 0.00 3.32 0.00 0.00 57.90 61.74 1su3 n TYR 237 Cb 0.16 -2.38 0.16 0.00 -0.63 0.00 0.00 39.34 36.65 1su3 n TYR 237 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1su3 h PRO 238 N 1.75 0.41 -6.48 2.98 0.11 -1.89 -3.46 132.00 125.43 1su3 h PRO 238 Ca -0.50 -0.20 -0.53 0.00 0.11 0.00 0.00 66.00 64.88 1su3 h PRO 238 Cb 1.30 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1su3 h PRO 238 CO 0.58 0.75 -0.13 -1.12 -0.21 0.00 0.00 178.00 177.87 1su3 s SER 239 N -6.86 6.51 0.09 -2.05 0.01 -1.26 -1.07 113.70 109.07 1su3 s SER 239 Ca -0.06 0.79 -0.31 0.00 1.31 0.00 0.00 55.95 57.68 1su3 s SER 239 Cb 0.13 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 64.11 1su3 s SER 239 CO 0.80 -0.16 1.39 -0.47 0.41 0.00 0.00 173.24 175.21 1su3 s TYR 240 N -2.00 3.15 0.04 2.43 5.04 -0.31 -4.92 117.35 120.78 1su3 s TYR 240 Ca 0.45 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 56.03 1su3 s TYR 240 Cb -0.11 -3.67 -0.02 0.00 0.35 0.00 0.00 41.96 38.51 1su3 s TYR 240 CO 0.27 -2.36 -0.08 0.95 -1.34 0.00 0.00 175.55 172.99 1su3 s THR 241 N 1.41 0.53 -0.16 4.34 -4.23 -1.26 -4.96 115.64 111.31 1su3 s THR 241 Ca 0.64 -1.11 -0.08 0.00 -1.18 0.00 0.00 61.69 59.96 1su3 s THR 241 Cb -0.35 -0.64 0.06 0.00 1.34 0.00 0.00 72.50 72.91 1su3 s THR 241 CO 0.29 -0.41 0.38 0.12 -0.54 0.00 0.00 174.62 174.46 1su3 s PHE 242 N -1.47 -0.57 -0.12 3.99 5.36 -1.26 -5.00 117.98 118.90 1su3 s PHE 242 Ca -0.09 1.21 0.18 0.00 -0.96 0.00 0.00 56.93 57.27 1su3 s PHE 242 Cb -0.09 0.22 0.43 0.00 -0.34 0.00 0.00 43.02 43.24 1su3 s PHE 242 CO 0.00 -0.34 1.19 -1.13 -1.46 0.00 0.00 175.22 173.49 1su3 n SER 243 N 4.42 1.51 0.00 6.13 3.41 -1.26 -4.77 113.62 123.07 1su3 n SER 243 Ca -0.21 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1su3 n SER 243 Cb 0.54 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1su3 n SER 243 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1su3 n GLY 244 N -0.38 1.57 3.74 5.00 0.00 -1.26 -4.87 105.19 108.99 1su3 n GLY 244 Ca 0.14 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1su3 n GLY 244 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su3 s ASP 245 N -4.00 6.37 -0.31 1.61 1.01 -1.26 -4.93 116.67 115.16 1su3 s ASP 245 Ca 0.00 2.93 -0.16 0.00 0.71 0.00 0.00 52.55 56.03 1su3 s ASP 245 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1su3 s ASP 245 CO 0.00 -0.94 0.43 -0.69 0.21 0.00 0.00 175.17 174.18 1su3 s VAL 246 N 0.41 5.11 0.03 -1.27 1.01 -1.26 -5.04 120.40 119.40 1su3 s VAL 246 Ca 0.67 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1su3 s VAL 246 Cb -0.49 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1su3 s VAL 246 CO 0.42 -0.02 -0.01 -1.10 0.00 0.00 0.00 175.10 174.40 1su3 s GLN 247 N 2.18 0.47 0.16 2.72 -1.52 -1.26 -5.08 119.66 117.33 1su3 s GLN 247 Ca 0.16 -0.85 -0.31 0.00 -1.95 0.00 0.00 55.36 52.41 1su3 s GLN 247 Cb -0.16 0.17 -0.09 0.00 -0.22 0.00 0.00 33.01 32.71 1su3 s GLN 247 CO 0.11 -0.09 1.42 -0.51 -0.25 0.00 0.00 175.29 175.97 1su3 s LEU 248 N -2.09 4.38 0.78 2.90 1.43 -1.26 -4.70 118.68 120.12 1su3 s LEU 248 Ca -0.06 2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 1su3 s LEU 248 Cb -0.02 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.66 1su3 s LEU 248 CO -0.05 -0.67 1.11 0.00 0.23 0.00 0.00 176.35 176.98 1su3 s ALA 249 N 0.75 2.45 0.33 4.21 0.00 -1.26 -3.99 121.76 124.25 1su3 s ALA 249 Ca 0.63 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.25 1su3 s ALA 249 Cb -0.39 -3.05 0.58 0.00 0.00 0.00 0.00 23.12 20.26 1su3 s ALA 249 CO 0.34 -1.60 1.95 0.37 0.00 0.00 0.00 175.76 176.82 1su3 h GLN 250 N -1.00 0.80 -0.64 0.00 5.75 -1.71 -0.68 115.11 117.62 1su3 h GLN 250 Ca -0.47 -0.09 0.09 0.00 -0.15 0.00 0.00 58.65 58.04 1su3 h GLN 250 Cb 1.28 -0.16 -0.07 0.00 1.07 0.00 0.00 27.48 29.60 1su3 h GLN 250 CO 0.62 0.60 0.28 0.22 -2.65 0.00 0.00 178.83 177.89 1su3 h ASP 251 N 0.80 0.32 -0.52 -0.69 3.58 -1.93 -0.51 116.42 117.47 1su3 h ASP 251 Ca 0.20 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.61 1su3 h ASP 251 Cb 0.04 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1su3 h ASP 251 CO -0.03 0.19 -0.09 0.44 -2.88 0.00 0.00 179.24 176.87 1su3 h ASP 252 N 0.48 1.00 0.17 2.28 3.32 -1.52 -2.46 116.42 119.69 1su3 h ASP 252 Ca 0.32 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1su3 h ASP 252 Cb 0.36 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1su3 h ASP 252 CO -0.28 1.10 -0.08 0.40 -1.72 0.00 0.00 179.24 178.65 1su3 h ILE 253 N 0.90 0.92 -0.84 0.35 2.04 -0.89 -1.92 117.51 118.07 1su3 h ILE 253 Ca 0.14 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1su3 h ILE 253 Cb 0.64 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1su3 h ILE 253 CO 0.04 0.10 0.54 0.44 0.00 0.00 0.00 178.15 179.27 1su3 h ASP 254 N -0.43 0.90 -0.35 1.72 3.45 -1.11 0.50 116.42 121.09 1su3 h ASP 254 Ca -0.02 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1su3 h ASP 254 Cb 0.34 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1su3 h ASP 254 CO 0.04 0.62 0.22 1.23 -1.57 0.00 0.00 179.24 179.78 1su3 h GLY 255 N 1.06 0.51 1.40 2.75 0.00 -1.35 -1.20 103.07 106.24 1su3 h GLY 255 Ca 0.33 -0.21 -0.25 0.00 0.00 0.00 0.00 47.33 47.21 1su3 h GLY 255 CO -0.11 0.21 -1.00 1.19 0.00 0.00 0.00 176.54 176.83 1su3 h ILE 256 N 0.46 1.35 0.00 2.60 6.09 -0.92 -3.11 117.51 123.98 1su3 h ILE 256 Ca 0.13 -2.37 -0.07 0.00 -1.37 0.00 0.00 64.86 61.18 1su3 h ILE 256 Cb 0.00 2.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.69 1su3 h ILE 256 CO -0.02 0.72 -0.32 1.56 -3.07 0.00 0.00 178.15 177.02 1su3 h GLN 257 N 0.30 0.00 0.00 2.19 4.20 -0.88 -1.32 115.11 119.60 1su3 h GLN 257 Ca -0.10 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1su3 h GLN 257 Cb 1.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.42 1su3 h GLN 257 CO 0.18 0.32 -0.16 0.00 -0.67 0.00 0.00 178.83 178.50 1su3 h ALA 258 N 1.68 1.24 0.01 3.87 0.00 -1.14 0.16 119.26 125.08 1su3 h ALA 258 Ca -0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 1su3 h ALA 258 Cb 0.60 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1su3 h ALA 258 CO 0.04 0.20 -1.14 0.82 0.00 0.00 0.00 179.25 179.17 1su3 h ILE 259 N 0.00 1.01 -0.00 0.00 2.04 -1.44 -3.44 117.51 115.68 1su3 h ILE 259 Ca -0.00 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.65 1su3 h ILE 259 Cb 0.43 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1su3 h ILE 259 CO 0.02 0.37 -0.37 -1.22 0.00 0.00 0.00 178.15 176.95 1su3 n TYR 260 N -4.41 0.00 -3.08 1.37 4.01 -0.56 -5.12 117.16 109.37 1su3 n TYR 260 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1su3 n TYR 260 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1su3 n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1su3 n GLY 261 N 1.17 -1.95 3.76 2.72 0.00 0.54 -4.49 105.19 106.95 1su3 n GLY 261 Ca 0.02 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 1su3 n GLY 261 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1su3 s ARG 262 N 0.00 2.26 0.91 1.61 1.70 -1.26 -4.28 118.95 119.89 1su3 s ARG 262 Ca 0.00 -1.84 -0.14 0.00 -0.47 0.00 0.00 55.73 53.28 1su3 s ARG 262 Cb 0.00 -2.02 0.15 0.00 -0.57 0.00 0.00 34.95 32.51 1su3 s ARG 262 CO 0.00 -0.16 1.21 -1.54 -1.08 0.00 0.00 175.30 173.72 1su3 s SER 263 N -3.95 3.57 0.43 -2.89 1.04 -1.14 -3.69 113.70 107.07 1su3 s SER 263 Ca 0.40 0.65 0.23 0.00 0.48 0.00 0.00 55.95 57.72 1su3 s SER 263 Cb 0.03 -1.01 0.84 0.00 0.10 0.00 0.00 66.02 65.98 1su3 s SER 263 CO 0.22 -2.48 1.79 1.56 0.98 0.00 0.00 173.24 175.31 1su3 h GLN 264 N -1.46 0.00 -6.74 4.02 1.08 -1.92 -3.47 115.11 106.62 1su3 h GLN 264 Ca -0.46 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.23 1su3 h GLN 264 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1su3 h GLN 264 CO 0.54 0.25 0.44 -0.80 -0.95 0.00 0.00 178.83 178.31 1su3 s ASN 265 N -6.23 7.36 0.23 1.46 0.01 -1.26 -5.00 114.94 111.51 1su3 s ASN 265 Ca 0.01 2.13 -0.30 0.00 -0.71 0.00 0.00 52.86 53.99 1su3 s ASN 265 Cb 0.10 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 1su3 s ASN 265 CO 0.65 -0.09 0.99 -2.16 -1.51 0.00 0.00 177.10 174.97 1su3 s PRO 266 N -1.02 4.77 -0.15 -0.60 0.04 -1.26 -4.42 135.00 132.36 1su3 s PRO 266 Ca 0.45 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 1su3 s PRO 266 Cb -0.30 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.00 1su3 s PRO 266 CO 0.37 0.38 0.15 0.28 0.04 0.00 0.00 177.00 178.22 1su3 n VAL 267 N 1.67-10.10 1.86 -0.36 0.31 -1.26 -4.83 118.33 105.63 1su3 n VAL 267 Ca -0.01 1.92 0.02 0.00 -0.01 0.00 0.00 64.34 66.25 1su3 n VAL 267 Cb 0.47 -5.82 0.09 0.00 -0.91 0.00 0.00 33.84 27.67 1su3 n VAL 267 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1su3 n GLN 268 N 1.10 0.93 -2.88 5.55 1.13 -1.26 -4.92 117.38 117.03 1su3 n GLN 268 Ca -0.25 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.80 1su3 n GLN 268 Cb 0.39 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.69 1su3 n GLN 268 CO 0.00 0.00 0.00 -3.68 -1.44 0.00 0.00 177.06 171.94 1su3 n PRO 269 N -0.55 -2.46 -1.52 -1.09 -0.07 -1.26 -4.84 135.00 123.21 1su3 n PRO 269 Ca 0.02 2.14 -0.39 0.00 -0.07 0.00 0.00 63.50 65.20 1su3 n PRO 269 Cb 0.01 -3.99 0.03 0.00 -0.07 0.00 0.00 33.50 29.48 1su3 n PRO 269 CO 0.00 0.00 0.00 0.44 -0.07 0.00 0.00 175.50 175.87 1su3 n ILE 270 N 0.85 2.53 -3.66 0.58 -0.00 -1.26 -5.00 119.36 113.40 1su3 n ILE 270 Ca 0.00 -0.50 -0.20 0.00 -0.00 0.00 0.00 62.75 62.05 1su3 n ILE 270 Cb 0.18 -0.83 -0.02 0.00 -0.00 0.00 0.00 39.64 38.97 1su3 n ILE 270 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1su3 s GLY 271 N -1.09 1.64 0.57 3.28 0.00 -1.26 -5.05 107.32 105.40 1su3 s GLY 271 Ca 0.69 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.70 1su3 s GLY 271 CO 0.54 -1.45 0.83 -1.55 0.00 0.00 0.00 173.10 171.46 1su3 n PRO 272 N -1.50 0.82 -4.95 2.90 -0.04 -1.26 -4.23 135.00 126.74 1su3 n PRO 272 Ca -0.02 0.31 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 1su3 n PRO 272 Cb 0.59 -2.00 -0.17 0.00 -0.04 0.00 0.00 33.50 31.88 1su3 n PRO 272 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1su3 s GLN 273 N -2.46 2.45 -0.01 0.54 0.00 -1.26 -3.08 119.66 115.84 1su3 s GLN 273 Ca 0.72 -0.68 -0.30 0.00 -0.00 0.00 0.00 55.36 55.10 1su3 s GLN 273 Cb -0.44 -1.91 -0.03 0.00 0.00 0.00 0.00 33.01 30.63 1su3 s GLN 273 CO 0.50 0.12 1.00 0.99 0.00 0.00 0.00 175.29 177.90 1su3 s THR 274 N 0.45 4.81 0.46 3.63 2.01 -1.26 -4.99 115.64 120.75 1su3 s THR 274 Ca -0.16 2.02 -0.24 0.00 0.31 0.00 0.00 61.69 63.62 1su3 s THR 274 Cb -0.17 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 67.97 1su3 s THR 274 CO 0.07 0.14 1.24 -2.16 -0.69 0.00 0.00 174.62 173.22 1su3 s PRO 275 N 1.14 3.70 -0.21 4.92 0.04 -1.26 -5.01 135.00 138.32 1su3 s PRO 275 Ca 0.52 1.98 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 1su3 s PRO 275 Cb -0.21 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1su3 s PRO 275 CO 0.27 -0.66 -0.10 0.15 0.04 0.00 0.00 177.00 176.70 1su3 s LYS 276 N -2.59 3.24 0.45 4.56 1.02 -1.26 -5.02 119.74 120.14 1su3 s LYS 276 Ca 0.63 -0.70 0.13 0.00 0.02 0.00 0.00 55.97 56.06 1su3 s LYS 276 Cb -0.34 -2.85 1.06 0.00 -0.52 0.00 0.00 37.83 35.18 1su3 s LYS 276 CO 0.41 -0.20 2.04 0.00 -0.92 0.00 0.00 175.35 176.68 1su3 h ALA 277 N 8.05 1.97 -0.66 5.17 0.00 -1.98 -2.39 119.26 129.42 1su3 h ALA 277 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1su3 h ALA 277 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1su3 h ALA 277 CO 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1su3 s ASP 279 N -1.05 6.99 0.00 0.00 2.15 -0.90 -4.95 116.67 118.91 1su3 s ASP 279 Ca 0.46 1.20 0.29 0.00 0.43 0.00 0.00 52.55 54.93 1su3 s ASP 279 Cb 0.24 -2.45 1.25 0.00 -0.30 0.00 0.00 42.92 41.66 1su3 s ASP 279 CO 0.32 -0.29 1.90 -1.54 -0.17 0.00 0.00 175.17 175.38 1su3 n SER 280 N 4.65 0.16 -0.00 -0.34 3.41 -1.26 -2.19 113.62 118.05 1su3 n SER 280 Ca 0.03 -0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1su3 n SER 280 Cb 0.50 -0.26 0.78 0.00 -0.26 0.00 0.00 64.21 64.98 1su3 n SER 280 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1su3 n LYS 281 N -1.31 1.00 -1.98 4.33 4.76 -1.26 -4.78 118.16 118.92 1su3 n LYS 281 Ca 0.11 -0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.13 1su3 n LYS 281 Cb 0.29 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1su3 n LYS 281 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1su3 s LEU 282 N -1.83 4.38 0.23 -0.35 2.96 -0.93 -4.83 118.68 118.31 1su3 s LEU 282 Ca 0.40 2.69 0.04 0.00 -0.22 0.00 0.00 54.13 57.04 1su3 s LEU 282 Cb 0.18 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1su3 s LEU 282 CO 0.31 -0.74 -0.03 0.42 -1.32 0.00 0.00 176.35 174.99 1su3 s THR 283 N 0.11 1.17 0.12 3.68 -4.23 -1.26 -4.40 115.64 110.83 1su3 s THR 283 Ca 0.61 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1su3 s THR 283 Cb -0.43 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1su3 s THR 283 CO 0.43 -0.37 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.53 1su3 s PHE 284 N -3.33 2.10 -0.02 3.99 0.40 -1.26 -4.87 117.98 114.98 1su3 s PHE 284 Ca 0.27 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 56.05 1su3 s PHE 284 Cb 0.05 -1.13 -0.32 0.00 0.51 0.00 0.00 43.02 42.12 1su3 s PHE 284 CO 0.08 0.29 0.83 -0.44 0.70 0.00 0.00 175.22 176.69 1su3 h ASP 285 N 3.92 0.65 -4.59 1.36 3.45 -1.41 -3.42 116.42 116.39 1su3 h ASP 285 Ca -0.49 -0.92 0.07 0.00 0.43 0.00 0.00 57.03 56.12 1su3 h ASP 285 Cb 1.18 -0.21 -0.17 0.00 -0.56 0.00 0.00 39.33 39.56 1su3 h ASP 285 CO 0.40 1.66 0.44 0.00 -1.57 0.00 0.00 179.24 180.17 1su3 s ALA 286 N -2.54 -1.82 -0.05 3.45 0.00 -1.21 -4.18 121.76 115.40 1su3 s ALA 286 Ca -0.13 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1su3 s ALA 286 Cb 0.04 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1su3 s ALA 286 CO 0.88 -0.56 0.16 0.42 0.00 0.00 0.00 175.76 176.65 1su3 s ILE 287 N -2.44 0.02 0.03 0.00 1.01 -1.26 -0.87 121.20 117.69 1su3 s ILE 287 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 1su3 s ILE 287 Cb -0.01 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1su3 s ILE 287 CO -0.04 -0.10 0.12 0.28 0.00 0.00 0.00 174.94 175.20 1su3 s THR 288 N -0.30 0.12 0.43 2.92 -1.32 -0.44 -4.52 115.64 112.53 1su3 s THR 288 Ca -0.04 -0.98 -0.21 0.00 -1.21 0.00 0.00 61.69 59.25 1su3 s THR 288 Cb -0.03 -0.81 -0.11 0.00 -1.51 0.00 0.00 72.50 70.04 1su3 s THR 288 CO 0.01 -0.54 0.96 0.42 -2.21 0.00 0.00 174.62 173.25 1su3 s THR 289 N -2.38 4.33 -0.26 5.08 -4.23 -1.26 -0.66 115.64 116.27 1su3 s THR 289 Ca -0.07 1.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.89 1su3 s THR 289 Cb -0.02 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 70.34 1su3 s THR 289 CO -0.03 -0.28 0.48 -0.51 -0.54 0.00 0.00 174.62 173.74 1su3 s ILE 290 N -2.13 -0.77 -1.45 2.99 2.07 -0.05 -4.23 121.20 117.63 1su3 s ILE 290 Ca 0.62 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.84 1su3 s ILE 290 Cb -0.10 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.64 1su3 s ILE 290 CO 0.14 -0.03 0.27 0.54 -1.91 0.00 0.00 174.94 173.95 1su3 n ARG 291 N 5.40 -2.03 -0.04 3.50 1.74 -1.26 -1.36 116.66 122.61 1su3 n ARG 291 Ca -0.05 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1su3 n ARG 291 Cb 0.50 -3.99 0.00 0.00 -1.02 0.00 0.00 32.46 27.95 1su3 n ARG 291 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1su3 n GLY 292 N -2.24 2.42 3.99 -0.13 0.00 -1.26 -5.02 105.19 102.95 1su3 n GLY 292 Ca -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1su3 n GLY 292 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1su3 s GLU 293 N -0.17 2.74 -0.15 1.61 2.02 -0.46 -5.11 118.70 119.17 1su3 s GLU 293 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 54.00 1su3 s GLU 293 Cb 0.00 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1su3 s GLU 293 CO 0.00 -0.43 -0.19 0.08 0.02 0.00 0.00 175.26 174.73 1su3 s VAL 294 N -2.52 2.25 -0.19 2.63 1.01 -1.26 -0.87 120.40 121.45 1su3 s VAL 294 Ca 0.55 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1su3 s VAL 294 Cb -0.10 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1su3 s VAL 294 CO 0.35 0.54 -0.08 -0.32 0.00 0.00 0.00 175.10 175.59 1su3 s MET 295 N 0.93 3.37 0.01 2.72 1.75 0.17 -4.52 119.30 123.72 1su3 s MET 295 Ca -0.04 -0.65 -0.07 0.00 -1.25 0.00 0.00 55.69 53.68 1su3 s MET 295 Cb -0.15 -2.87 -0.05 0.00 2.84 0.00 0.00 34.83 34.60 1su3 s MET 295 CO -0.04 -0.07 0.28 -0.06 -0.65 0.00 0.00 175.02 174.48 1su3 s PHE 296 N 1.10 3.59 -0.03 4.11 0.40 0.03 -1.32 117.98 125.86 1su3 s PHE 296 Ca 0.01 0.61 0.05 0.00 -0.60 0.00 0.00 56.93 57.00 1su3 s PHE 296 Cb -0.15 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.36 1su3 s PHE 296 CO -0.01 0.61 -0.19 -0.06 0.70 0.00 0.00 175.22 176.27 1su3 s PHE 297 N -1.28 1.80 -0.21 0.36 0.08 -0.05 -0.56 117.98 118.11 1su3 s PHE 297 Ca 0.27 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.82 1su3 s PHE 297 Cb -0.13 -1.19 0.10 0.00 -0.57 0.00 0.00 43.02 41.23 1su3 s PHE 297 CO 0.15 -0.12 0.42 0.21 -0.10 0.00 0.00 175.22 175.78 1su3 s LYS 298 N -0.18 0.34 5.01 0.44 2.47 0.25 -1.12 119.74 126.95 1su3 s LYS 298 Ca 0.01 0.92 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 1su3 s LYS 298 Cb -0.10 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.42 1su3 s LYS 298 CO 0.01 -0.35 0.00 -0.25 0.16 0.00 0.00 175.35 174.92 1su3 n ASP 299 N 5.39 0.00 0.00 1.43 8.00 -1.26 -0.90 116.55 129.21 1su3 n ASP 299 Ca -0.07 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.58 1su3 n ASP 299 Cb 0.50 0.00 0.88 0.00 -0.02 0.00 0.00 41.12 42.47 1su3 n ASP 299 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1su3 n ARG 300 N 13.10 0.80 -4.36 -1.24 1.74 -1.26 -3.02 116.66 122.43 1su3 n ARG 300 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1su3 n ARG 300 Cb 0.00 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.82 1su3 n ARG 300 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1su3 s PHE 301 N -2.19 2.42 0.20 -1.55 0.40 -0.08 -0.93 117.98 116.26 1su3 s PHE 301 Ca 0.41 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.50 1su3 s PHE 301 Cb 0.21 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 1su3 s PHE 301 CO 0.40 0.42 0.07 1.52 0.70 0.00 0.00 175.22 178.33 1su3 s TYR 302 N -1.33 2.95 -0.01 0.36 -0.85 -0.26 -0.58 117.35 117.63 1su3 s TYR 302 Ca 0.18 -0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 1su3 s TYR 302 Cb -0.09 -1.38 0.00 0.00 0.38 0.00 0.00 41.96 40.87 1su3 s TYR 302 CO 0.09 0.54 -0.02 -1.64 -1.52 0.00 0.00 175.55 173.00 1su3 s MET 303 N -3.31 0.21 0.09 -3.49 -1.94 0.27 -2.47 119.30 108.67 1su3 s MET 303 Ca 0.30 -0.06 -0.15 0.00 -1.71 0.00 0.00 55.69 54.08 1su3 s MET 303 Cb -0.09 -0.24 0.03 0.00 2.01 0.00 0.00 34.83 36.54 1su3 s MET 303 CO 0.21 0.02 0.35 -0.98 -0.01 0.00 0.00 175.02 174.61 1su3 s ARG 304 N 0.14 0.95 0.59 2.03 1.70 -0.73 -0.79 118.95 122.84 1su3 s ARG 304 Ca -0.01 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.43 1su3 s ARG 304 Cb -0.03 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 1su3 s ARG 304 CO -0.00 -0.34 1.13 0.95 -1.08 0.00 0.00 175.30 175.95 1su3 s THR 305 N -3.30 3.17 -0.30 4.99 -4.23 -1.26 -1.28 115.64 113.43 1su3 s THR 305 Ca 0.00 0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 1su3 s THR 305 Cb 0.01 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.78 1su3 s THR 305 CO -0.08 -0.22 0.85 0.21 -0.54 0.00 0.00 174.62 174.84 1su3 s ASN 306 N -2.04 -0.78 0.60 3.99 3.84 -1.26 -4.81 114.94 114.47 1su3 s ASN 306 Ca 0.71 1.12 0.34 0.00 0.21 0.00 0.00 52.86 55.24 1su3 s ASN 306 Cb -0.23 1.76 1.91 0.00 -0.55 0.00 0.00 41.25 44.14 1su3 s ASN 306 CO 0.32 -0.16 2.24 1.55 -2.79 0.00 0.00 177.10 178.26 1su3 h PRO 307 N 7.37 0.00 -0.00 0.43 0.13 -1.98 -1.23 132.00 136.72 1su3 h PRO 307 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1su3 h PRO 307 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1su3 h PRO 307 CO 0.11 0.03 -0.11 1.19 -0.23 0.00 0.00 178.00 179.00 1su3 n PHE 308 N -3.50 0.00 -4.68 1.56 3.01 -1.26 -4.75 117.46 107.84 1su3 n PHE 308 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.10 1su3 n PHE 308 Cb 0.13 -0.35 -0.14 0.00 -0.01 0.00 0.00 39.48 39.10 1su3 n PHE 308 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1su3 s TYR 309 N -2.82 2.85 0.16 1.38 2.02 -0.47 -1.01 117.35 119.47 1su3 s TYR 309 Ca 0.19 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 1su3 s TYR 309 Cb 0.19 -1.87 0.08 0.00 -0.40 0.00 0.00 41.96 39.96 1su3 s TYR 309 CO 0.54 -0.21 1.70 -1.00 -1.57 0.00 0.00 175.55 175.00 1su3 h PRO 310 N 6.77 0.07 0.00 -1.71 0.13 -1.82 -3.37 132.00 132.08 1su3 h PRO 310 Ca -0.27 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.68 1su3 h PRO 310 Cb 1.21 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1su3 h PRO 310 CO 0.57 0.05 -1.61 -0.85 -0.23 0.00 0.00 178.00 175.92 1su3 n GLU 311 N -5.21 0.25 -3.63 0.86 0.00 -1.26 -4.73 120.64 106.92 1su3 n GLU 311 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 57.16 57.13 1su3 n GLU 311 Cb 0.19 -1.05 -0.07 0.00 0.00 0.00 0.00 31.44 30.52 1su3 n GLU 311 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1su3 s VAL 312 N -2.21 0.00 -0.05 3.84 0.11 -1.26 -3.64 120.40 117.19 1su3 s VAL 312 Ca -0.15 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1su3 s VAL 312 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1su3 s VAL 312 CO 0.22 0.00 1.29 -0.70 -3.33 0.00 0.00 175.10 172.58 1su3 s GLU 313 N 0.34 4.31 -0.05 1.54 2.12 -0.40 -4.89 118.70 121.65 1su3 s GLU 313 Ca 0.00 1.79 0.02 0.00 0.36 0.00 0.00 54.97 57.14 1su3 s GLU 313 Cb -0.05 -3.60 0.01 0.00 0.26 0.00 0.00 34.13 30.76 1su3 s GLU 313 CO 0.00 -0.53 -0.10 -1.17 -0.54 0.00 0.00 175.26 172.93 1su3 s LEU 314 N 2.46 1.57 0.20 2.70 2.96 -1.26 -1.77 118.68 125.54 1su3 s LEU 314 Ca 0.59 -0.23 -0.23 0.00 -0.22 0.00 0.00 54.13 54.04 1su3 s LEU 314 Cb -0.27 -0.68 0.05 0.00 0.50 0.00 0.00 46.19 45.80 1su3 s LEU 314 CO 0.23 0.01 0.90 0.21 -1.32 0.00 0.00 176.35 176.38 1su3 s ASN 315 N 0.67 -0.16 0.27 3.68 3.84 -1.03 -5.02 114.94 117.18 1su3 s ASN 315 Ca -0.12 -0.54 -0.29 0.00 0.21 0.00 0.00 52.86 52.12 1su3 s ASN 315 Cb -0.15 0.57 -0.09 0.00 -0.55 0.00 0.00 41.25 41.03 1su3 s ASN 315 CO 0.02 -1.08 1.23 -0.36 -2.79 0.00 0.00 177.10 174.13 1su3 s PHE 316 N -3.25 3.31 0.33 0.43 0.40 -1.26 -1.11 117.98 116.82 1su3 s PHE 316 Ca 0.13 1.46 0.09 0.00 -0.60 0.00 0.00 56.93 58.01 1su3 s PHE 316 Cb -0.03 -3.51 0.82 0.00 0.51 0.00 0.00 43.02 40.81 1su3 s PHE 316 CO 0.04 -1.37 1.79 0.82 0.70 0.00 0.00 175.22 177.20 1su3 h ILE 317 N 3.29 0.68 0.00 0.64 2.04 -1.32 -1.57 117.51 121.27 1su3 h ILE 317 Ca -0.47 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1su3 h ILE 317 Cb 1.22 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1su3 h ILE 317 CO 0.69 0.12 0.00 0.77 0.00 0.00 0.00 178.15 179.74 1su3 h SER 318 N 0.68 0.00 -0.56 1.72 4.64 -1.79 -1.67 113.55 116.58 1su3 h SER 318 Ca 0.57 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.90 1su3 h SER 318 Cb 0.99 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 1su3 h SER 318 CO -0.35 0.00 0.37 1.62 -0.87 0.00 0.00 176.83 177.60 1su3 h VAL 319 N 0.00 1.12 0.02 0.95 3.04 -1.62 -3.17 116.25 116.58 1su3 h VAL 319 Ca 0.00 -0.25 -0.39 0.00 -1.01 0.00 0.00 66.70 65.05 1su3 h VAL 319 Cb 0.19 0.34 -0.06 0.00 -2.01 0.00 0.00 31.29 29.75 1su3 h VAL 319 CO 0.00 0.13 -2.24 0.49 -1.01 0.00 0.00 177.57 174.94 1su3 n PHE 320 N -4.46 0.34 -3.39 3.17 0.99 -0.69 -4.87 117.46 108.55 1su3 n PHE 320 Ca 0.06 0.11 -0.26 0.00 -0.00 0.00 0.00 57.45 57.36 1su3 n PHE 320 Cb 0.08 -1.04 -0.09 0.00 -1.00 0.00 0.00 39.48 37.43 1su3 n PHE 320 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.76 177.67 1su3 n TRP 321 N -3.88 0.12 0.26 1.38 8.01 -0.84 -4.63 117.44 117.86 1su3 n TRP 321 Ca -0.45 -3.58 0.17 0.00 -1.31 0.00 0.00 57.50 52.33 1su3 n TRP 321 Cb 0.91 -0.10 0.85 0.00 -2.01 0.00 0.00 31.31 30.95 1su3 n TRP 321 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 1su3 h PRO 322 N 4.96 0.00 0.00 -0.99 0.13 -1.79 -2.46 132.00 131.85 1su3 h PRO 322 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1su3 h PRO 322 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1su3 h PRO 322 CO 0.48 0.00 -0.01 -0.56 -0.23 0.00 0.00 178.00 177.68 1su3 h GLN 323 N 0.00 0.00 -7.02 0.86 -0.00 -1.93 -3.46 115.11 103.57 1su3 h GLN 323 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1su3 h GLN 323 Cb 0.07 0.00 0.08 0.00 -0.00 0.00 0.00 27.48 27.64 1su3 h GLN 323 CO 0.00 0.00 0.52 -0.51 -0.00 0.00 0.00 178.83 178.84 1su3 s LEU 324 N -5.98 3.96 0.82 0.06 1.43 -0.92 -5.03 118.68 113.02 1su3 s LEU 324 Ca 0.07 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 1su3 s LEU 324 Cb 0.06 -4.26 0.09 0.00 0.03 0.00 0.00 46.19 42.10 1su3 s LEU 324 CO 0.66 -1.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.08 1su3 s PRO 325 N -2.78 1.86 0.54 1.29 0.04 -1.26 -4.98 135.00 129.71 1su3 s PRO 325 Ca 0.66 0.63 -0.08 0.00 0.04 0.00 0.00 61.00 62.26 1su3 s PRO 325 Cb -0.32 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1su3 s PRO 325 CO 0.38 -1.77 0.89 -0.80 0.04 0.00 0.00 177.00 175.73 1su3 s ASN 326 N -3.84 6.25 -0.29 6.66 -0.87 -1.26 -4.53 114.94 117.05 1su3 s ASN 326 Ca 0.61 1.13 -0.00 0.00 -1.57 0.00 0.00 52.86 53.03 1su3 s ASN 326 Cb -0.15 -2.34 -0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1su3 s ASN 326 CO 0.55 -0.70 0.25 0.61 -2.57 0.00 0.00 177.10 175.23 1su3 n GLY 327 N -2.47 0.28 3.72 0.66 0.00 -1.17 -5.01 105.19 101.21 1su3 n GLY 327 Ca 0.03 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1su3 n GLY 327 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1su3 s LEU 328 N -3.22 3.30 -0.03 0.99 1.43 -1.26 -4.90 118.68 114.99 1su3 s LEU 328 Ca 0.03 2.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.52 1su3 s LEU 328 Cb -0.00 -4.58 -0.10 0.00 0.03 0.00 0.00 46.19 41.53 1su3 s LEU 328 CO 0.18 -2.24 0.11 -0.62 0.23 0.00 0.00 176.35 174.01 1su3 n GLU 329 N -2.75 1.33 -3.52 1.70 1.02 0.42 -4.55 120.64 114.30 1su3 n GLU 329 Ca 0.13 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1su3 n GLU 329 Cb 0.50 -1.18 -0.04 0.00 -0.02 0.00 0.00 31.44 30.70 1su3 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1su3 s ALA 330 N -2.37 -1.80 -0.15 0.62 0.00 -1.20 -4.09 121.76 112.77 1su3 s ALA 330 Ca -0.03 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.96 1su3 s ALA 330 Cb 0.04 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1su3 s ALA 330 CO 0.30 -0.47 0.49 0.00 0.00 0.00 0.00 175.76 176.08 1su3 s ALA 331 N -1.89 -1.23 0.13 0.00 0.00 -1.26 -0.77 121.76 116.74 1su3 s ALA 331 Ca -0.04 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 1su3 s ALA 331 Cb -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1su3 s ALA 331 CO 0.01 -0.25 0.34 1.52 0.00 0.00 0.00 175.76 177.37 1su3 s TYR 332 N -0.13 0.02 -0.14 0.00 1.13 -0.53 -4.45 117.35 113.24 1su3 s TYR 332 Ca -0.03 -0.38 -0.04 0.00 -1.41 0.00 0.00 57.07 55.21 1su3 s TYR 332 Cb -0.03 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.92 1su3 s TYR 332 CO 0.02 -0.69 0.01 -2.00 -2.51 0.00 0.00 175.55 170.38 1su3 s GLU 333 N -3.86 3.54 -0.74 -3.49 2.12 -1.26 0.00 118.70 115.00 1su3 s GLU 333 Ca 0.07 -0.43 -0.11 0.00 0.36 0.00 0.00 54.97 54.86 1su3 s GLU 333 Cb 0.03 -2.97 0.20 0.00 0.26 0.00 0.00 34.13 31.64 1su3 s GLU 333 CO -0.08 0.41 0.65 0.12 -0.54 0.00 0.00 175.26 175.82 1su3 s PHE 334 N -0.06 3.63 0.28 5.30 5.99 0.93 -4.37 117.98 129.68 1su3 s PHE 334 Ca 0.04 -2.14 -0.01 0.00 0.00 0.00 0.00 56.93 54.82 1su3 s PHE 334 Cb -0.13 -3.64 0.48 0.00 0.00 0.00 0.00 43.02 39.73 1su3 s PHE 334 CO 0.02 -0.95 1.89 0.00 -0.00 0.00 0.00 175.22 176.17 1su3 h ALA 335 N 7.67 1.47 -0.94 11.12 0.00 -1.95 -2.29 119.26 134.33 1su3 h ALA 335 Ca 0.04 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1su3 h ALA 335 Cb 1.02 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1su3 h ALA 335 CO 0.76 0.38 0.60 0.22 0.00 0.00 0.00 179.25 181.21 1su3 h ASP 336 N 1.09 0.83 -0.62 0.00 3.58 -1.93 -1.18 116.42 118.19 1su3 h ASP 336 Ca 0.43 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.91 1su3 h ASP 336 Cb 0.23 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1su3 h ASP 336 CO -0.17 0.45 0.00 0.54 -2.88 0.00 0.00 179.24 177.18 1su3 n ARG 337 N -4.57 2.67 -4.00 0.28 1.74 -0.90 -4.97 116.66 106.90 1su3 n ARG 337 Ca 0.17 -2.52 -0.28 0.00 -0.77 0.00 0.00 57.85 54.45 1su3 n ARG 337 Cb 0.36 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1su3 n ARG 337 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1su3 n ASP 338 N 1.53 -0.73 -4.11 0.55 2.03 -0.45 -4.98 116.55 110.40 1su3 n ASP 338 Ca 0.22 -1.07 -0.24 0.00 0.52 0.00 0.00 54.79 54.22 1su3 n ASP 338 Cb 0.60 -2.76 -0.16 0.00 -0.72 0.00 0.00 41.12 38.09 1su3 n ASP 338 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1su3 s GLU 339 N -6.69 1.49 -0.09 -0.67 2.02 -1.05 -4.51 118.70 109.20 1su3 s GLU 339 Ca 0.07 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1su3 s GLU 339 Cb -0.03 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.83 1su3 s GLU 339 CO 0.91 0.24 -0.01 0.08 0.02 0.00 0.00 175.26 176.50 1su3 s VAL 340 N -0.03 4.18 -0.11 2.63 1.01 -0.14 -0.05 120.40 127.89 1su3 s VAL 340 Ca -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1su3 s VAL 340 Cb -0.10 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1su3 s VAL 340 CO 0.01 0.59 -0.21 -0.13 0.00 0.00 0.00 175.10 175.36 1su3 s ARG 341 N -0.68 3.15 -0.05 2.72 0.52 0.10 -0.71 118.95 124.00 1su3 s ARG 341 Ca 0.11 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.55 1su3 s ARG 341 Cb -0.12 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 1su3 s ARG 341 CO 0.02 0.18 -0.19 -0.06 0.02 0.00 0.00 175.30 175.27 1su3 s PHE 342 N 0.37 2.56 -0.03 -0.53 0.08 0.26 -1.46 117.98 119.24 1su3 s PHE 342 Ca -0.16 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.62 1su3 s PHE 342 Cb -0.17 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1su3 s PHE 342 CO 0.07 0.04 -0.26 -0.06 -0.10 0.00 0.00 175.22 174.92 1su3 s PHE 343 N -0.56 2.35 -0.16 0.36 0.40 0.05 -0.95 117.98 119.48 1su3 s PHE 343 Ca 0.08 -0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1su3 s PHE 343 Cb -0.11 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 41.96 1su3 s PHE 343 CO 0.01 -0.09 0.36 0.21 0.70 0.00 0.00 175.22 176.41 1su3 s LYS 344 N -0.48 0.31 5.01 0.44 2.20 -0.70 -0.43 119.74 126.09 1su3 s LYS 344 Ca 0.06 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 1su3 s LYS 344 Cb -0.11 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1su3 s LYS 344 CO 0.00 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1su3 n GLY 345 N 4.60 3.08 1.71 5.54 0.00 -1.26 -1.80 105.19 117.07 1su3 n GLY 345 Ca -0.19 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1su3 n GLY 345 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1su3 n ASN 346 N 2.87 4.87 -4.47 1.61 2.04 -1.15 -4.23 115.26 116.80 1su3 n ASN 346 Ca 0.00 -2.84 -0.25 0.00 -0.44 0.00 0.00 54.58 51.05 1su3 n ASN 346 Cb 0.00 -0.67 -0.10 0.00 -2.53 0.00 0.00 39.78 36.48 1su3 n ASN 346 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1su3 s LYS 347 N -2.51 1.68 0.05 -3.83 1.02 -0.74 -1.84 119.74 113.57 1su3 s LYS 347 Ca 0.46 -1.63 -0.06 0.00 0.02 0.00 0.00 55.97 54.76 1su3 s LYS 347 Cb 0.36 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.81 1su3 s LYS 347 CO 0.13 0.36 0.11 1.52 -0.92 0.00 0.00 175.35 176.56 1su3 s TYR 348 N -2.13 0.22 -0.02 3.18 1.13 0.16 -1.71 117.35 118.18 1su3 s TYR 348 Ca 0.26 -0.58 0.06 0.00 -1.41 0.00 0.00 57.07 55.40 1su3 s TYR 348 Cb -0.06 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.64 1su3 s TYR 348 CO 0.13 -0.42 -0.20 -1.58 -2.51 0.00 0.00 175.55 170.97 1su3 s TRP 349 N -3.13 1.79 0.06 -3.49 0.51 -0.12 -1.50 118.94 113.05 1su3 s TRP 349 Ca -0.01 -0.35 0.04 0.00 -2.12 0.00 0.00 56.10 53.66 1su3 s TRP 349 Cb 0.02 -1.15 -0.04 0.00 -0.81 0.00 0.00 33.47 31.49 1su3 s TRP 349 CO -0.07 -0.04 -0.03 0.00 -0.51 0.00 0.00 176.95 176.30 1su3 s ALA 350 N -0.43 3.18 0.00 0.98 0.00 -1.26 -0.57 121.76 123.66 1su3 s ALA 350 Ca 0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1su3 s ALA 350 Cb -0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.87 1su3 s ALA 350 CO -0.01 0.66 0.01 0.08 0.00 0.00 0.00 175.76 176.51 1su3 s VAL 351 N -1.19 0.04 -0.20 0.00 1.01 0.11 -1.21 120.40 118.97 1su3 s VAL 351 Ca 0.22 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1su3 s VAL 351 Cb -0.11 -0.14 0.05 0.00 0.00 0.00 0.00 36.38 36.17 1su3 s VAL 351 CO 0.14 -0.20 -0.05 -1.58 0.00 0.00 0.00 175.10 173.40 1su3 s GLN 352 N -0.60 1.54 6.40 2.72 0.74 -0.03 -0.97 119.66 129.46 1su3 s GLN 352 Ca -0.07 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1su3 s GLN 352 Cb -0.04 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.78 1su3 s GLN 352 CO -0.00 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 1su3 n GLY 353 N 4.79 3.24 0.35 2.59 0.00 -1.26 -1.94 105.19 112.95 1su3 n GLY 353 Ca -0.12 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.74 1su3 n GLY 353 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1su3 n GLN 354 N 14.00 1.42 -4.39 1.61 6.02 -1.26 -4.80 117.38 129.97 1su3 n GLN 354 Ca 0.00 -0.59 -0.30 0.00 -0.01 0.00 0.00 57.00 56.10 1su3 n GLN 354 Cb 0.00 -1.18 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 1su3 n GLN 354 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1su3 s ASN 355 N -0.92 2.74 0.17 1.08 0.02 -0.82 -4.64 114.94 112.58 1su3 s ASN 355 Ca 0.11 -0.51 -0.31 0.00 -1.02 0.00 0.00 52.86 51.13 1su3 s ASN 355 Cb 0.06 -1.24 -0.09 0.00 0.02 0.00 0.00 41.25 40.00 1su3 s ASN 355 CO 0.07 0.02 1.38 -0.69 0.02 0.00 0.00 177.10 177.90 1su3 s VAL 356 N 1.08 3.12 0.58 1.60 1.01 -1.26 -0.85 120.40 125.67 1su3 s VAL 356 Ca -0.03 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 62.66 1su3 s VAL 356 Cb -0.14 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1su3 s VAL 356 CO -0.05 0.10 1.03 -0.76 0.00 0.00 0.00 175.10 175.42 1su3 s LEU 357 N 0.41 3.46 0.48 3.92 1.43 -0.35 -4.91 118.68 123.12 1su3 s LEU 357 Ca 0.61 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 55.12 1su3 s LEU 357 Cb -0.38 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.26 1su3 s LEU 357 CO 0.35 -0.94 1.25 -2.28 0.23 0.00 0.00 176.35 174.97 1su3 s HIS 358 N -2.71 2.66 0.00 0.29 5.65 -1.26 -3.74 115.29 116.19 1su3 s HIS 358 Ca 0.60 1.47 0.00 0.00 0.25 0.00 0.00 55.06 57.37 1su3 s HIS 358 Cb -0.13 -3.56 0.00 0.00 -1.18 0.00 0.00 32.58 27.71 1su3 s HIS 358 CO 0.40 -2.06 0.00 0.41 -0.65 0.00 0.00 174.74 172.84 1su3 n GLY 359 N 0.57 0.76 3.67 1.59 0.00 -1.26 -5.07 105.19 105.45 1su3 n GLY 359 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1su3 n GLY 359 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1su3 s TYR 360 N -2.29 2.92 0.68 1.61 2.02 -1.25 -4.43 117.35 116.63 1su3 s TYR 360 Ca 0.00 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 1su3 s TYR 360 Cb 0.00 -1.49 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1su3 s TYR 360 CO 0.00 0.48 1.05 -1.25 -1.57 0.00 0.00 175.55 174.26 1su3 s PRO 361 N -2.44 3.07 0.24 -1.71 0.04 -1.26 -5.06 135.00 127.88 1su3 s PRO 361 Ca 0.25 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.25 1su3 s PRO 361 Cb -0.11 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1su3 s PRO 361 CO 0.18 -0.98 -0.16 0.15 0.04 0.00 0.00 177.00 176.23 1su3 s LYS 362 N -5.10 1.48 0.13 4.56 3.01 -0.56 -4.94 119.74 118.32 1su3 s LYS 362 Ca 0.57 -1.67 -0.17 0.00 -1.01 0.00 0.00 55.97 53.70 1su3 s LYS 362 Cb -0.13 -1.38 -0.07 0.00 -1.01 0.00 0.00 37.83 35.23 1su3 s LYS 362 CO 0.55 0.24 0.58 0.16 0.51 0.00 0.00 175.35 177.39 1su3 s ASP 363 N -3.40 6.94 0.50 2.83 -4.77 -1.26 -0.66 116.67 116.85 1su3 s ASP 363 Ca 0.26 1.19 0.32 0.00 -3.30 0.00 0.00 52.55 51.02 1su3 s ASP 363 Cb -0.02 -2.33 1.29 0.00 -1.09 0.00 0.00 42.92 40.77 1su3 s ASP 363 CO 0.10 0.15 1.94 0.16 0.70 0.00 0.00 175.17 178.22 1su3 h ILE 364 N 3.03 0.00 0.24 2.11 3.07 -1.70 -2.98 117.51 121.29 1su3 h ILE 364 Ca -0.49 -0.48 -0.01 0.00 1.55 0.00 0.00 64.86 65.43 1su3 h ILE 364 Cb 1.20 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 1su3 h ILE 364 CO 0.65 0.00 -0.12 1.88 -1.05 0.00 0.00 178.15 179.51 1su3 h TYR 365 N 0.00 -0.30 0.00 0.16 0.99 -1.84 -1.23 116.97 114.75 1su3 h TYR 365 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1su3 h TYR 365 Cb 0.50 0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.33 1su3 h TYR 365 CO 0.00 -0.04 0.00 0.66 -0.00 0.00 0.00 178.16 178.78 1su3 h SER 366 N -1.02 0.00 0.00 3.88 4.64 -1.91 0.38 113.55 119.52 1su3 h SER 366 Ca -0.03 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 1su3 h SER 366 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1su3 h SER 366 CO 0.06 0.00 -0.84 0.28 -0.87 0.00 0.00 176.83 175.45 1su3 h SER 367 N 0.00 0.00 0.00 4.97 0.02 -1.59 -3.43 113.55 113.52 1su3 h SER 367 Ca 0.00 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1su3 h SER 367 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1su3 h SER 367 CO 0.00 1.12 -1.72 0.49 -1.14 0.00 0.00 176.83 175.58 1su3 n PHE 368 N -4.53 0.00 -0.76 3.45 3.72 -0.47 -5.00 117.46 113.86 1su3 n PHE 368 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1su3 n PHE 368 Cb 0.47 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1su3 n PHE 368 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1su3 n GLY 369 N 1.42 0.53 3.72 1.37 0.00 0.12 -4.36 105.19 108.00 1su3 n GLY 369 Ca -0.02 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1su3 n GLY 369 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1su3 s PHE 370 N -2.00 2.02 0.51 1.61 0.08 -1.25 -4.99 117.98 113.96 1su3 s PHE 370 Ca 0.00 1.57 -0.22 0.00 0.12 0.00 0.00 56.93 58.41 1su3 s PHE 370 Cb 0.00 -3.55 -0.06 0.00 -0.57 0.00 0.00 43.02 38.84 1su3 s PHE 370 CO 0.00 -2.75 1.23 -2.14 -0.10 0.00 0.00 175.22 171.46 1su3 s PRO 371 N -3.76 3.41 0.50 0.24 0.02 -1.26 -4.70 135.00 129.44 1su3 s PRO 371 Ca 0.77 1.91 0.34 0.00 0.02 0.00 0.00 61.00 64.04 1su3 s PRO 371 Cb -0.32 -2.25 1.74 0.00 0.02 0.00 0.00 34.50 33.69 1su3 s PRO 371 CO 0.44 -0.88 2.03 -0.09 -0.33 0.00 0.00 177.00 178.17 1su3 h ARG 372 N 1.61 0.00 0.00 5.54 2.43 -1.99 -1.20 114.38 120.77 1su3 h ARG 372 Ca -0.50 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1su3 h ARG 372 Cb 1.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1su3 h ARG 372 CO 0.58 0.00 -0.04 1.79 -1.51 0.00 0.00 179.97 180.79 1su3 h THR 373 N 0.00 0.10 -3.03 0.20 1.35 -2.04 -3.41 112.91 106.09 1su3 h THR 373 Ca 0.00 -0.59 -0.57 0.00 -0.55 0.00 0.00 66.41 64.70 1su3 h THR 373 Cb 0.13 1.53 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 1su3 h THR 373 CO 0.00 0.04 1.14 -0.69 -0.25 0.00 0.00 175.52 175.75 1su3 s VAL 374 N -3.70 3.76 -0.12 6.82 1.01 -0.46 -4.86 120.40 122.86 1su3 s VAL 374 Ca 0.01 0.78 0.21 0.00 0.00 0.00 0.00 61.98 62.98 1su3 s VAL 374 Cb 0.09 -3.97 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 1su3 s VAL 374 CO 0.56 -0.59 0.61 0.29 0.00 0.00 0.00 175.10 175.97 1su3 n LYS 375 N 8.11 0.64 -3.57 2.72 4.76 -1.26 -4.91 118.16 124.66 1su3 n LYS 375 Ca 0.19 -0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.48 1su3 n LYS 375 Cb 0.47 -1.64 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 1su3 n LYS 375 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1su3 s HIS 376 N -3.22 -0.37 -0.19 2.13 0.09 -1.26 -2.93 115.29 109.53 1su3 s HIS 376 Ca -0.06 0.26 -0.09 0.00 -0.00 0.00 0.00 55.06 55.17 1su3 s HIS 376 Cb 0.11 0.35 -0.05 0.00 -0.00 0.00 0.00 32.58 32.99 1su3 s HIS 376 CO 0.85 -0.69 0.11 0.42 -0.00 0.00 0.00 174.74 175.43 1su3 s ILE 377 N -3.09 5.25 0.02 0.60 -1.09 -1.26 -4.87 121.20 116.76 1su3 s ILE 377 Ca -0.02 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.38 1su3 s ILE 377 Cb 0.00 -3.38 -0.35 0.00 -1.58 0.00 0.00 42.46 37.15 1su3 s ILE 377 CO -0.07 0.46 0.96 0.44 -1.23 0.00 0.00 174.94 175.49 1su3 h ASP 378 N 6.57 0.82 -4.84 3.58 3.32 -1.20 -3.38 116.42 121.30 1su3 h ASP 378 Ca -0.41 -0.92 0.04 0.00 0.02 0.00 0.00 57.03 55.77 1su3 h ASP 378 Cb 1.16 -0.27 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 1su3 h ASP 378 CO 0.74 1.73 0.35 0.00 -1.72 0.00 0.00 179.24 180.33 1su3 s ALA 379 N -2.60 -1.70 -0.05 3.45 0.00 -1.18 -4.36 121.76 115.33 1su3 s ALA 379 Ca -0.10 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 1su3 s ALA 379 Cb 0.04 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1su3 s ALA 379 CO 0.94 -0.74 0.45 0.00 0.00 0.00 0.00 175.76 176.41 1su3 s ALA 380 N -3.45 -1.16 0.06 0.00 0.00 -1.26 -0.55 121.76 115.39 1su3 s ALA 380 Ca 0.03 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1su3 s ALA 380 Cb -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.08 1su3 s ALA 380 CO -0.11 -0.29 0.31 -0.48 0.00 0.00 0.00 175.76 175.19 1su3 s LEU 381 N -1.10 0.84 -0.04 0.00 2.34 -0.72 -4.44 118.68 115.55 1su3 s LEU 381 Ca -0.11 -0.23 0.06 0.00 0.06 0.00 0.00 54.13 53.91 1su3 s LEU 381 Cb -0.03 1.41 -0.02 0.00 -0.56 0.00 0.00 46.19 46.99 1su3 s LEU 381 CO 0.06 -0.65 -0.23 -0.55 -1.06 0.00 0.00 176.35 173.91 1su3 s SER 382 N -2.20 3.26 -0.36 1.48 0.15 -1.26 -0.45 113.70 114.32 1su3 s SER 382 Ca -0.03 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 55.93 1su3 s SER 382 Cb -0.00 -0.66 0.01 0.00 -1.71 0.00 0.00 66.02 63.66 1su3 s SER 382 CO -0.05 0.29 0.91 -1.61 1.20 0.00 0.00 173.24 173.98 1su3 s GLU 383 N -0.43 3.87 0.22 5.44 2.02 0.28 -4.86 118.70 125.25 1su3 s GLU 383 Ca 0.04 0.59 -0.07 0.00 0.02 0.00 0.00 54.97 55.56 1su3 s GLU 383 Cb -0.12 -3.79 0.36 0.00 0.10 0.00 0.00 34.13 30.68 1su3 s GLU 383 CO 0.01 -0.90 1.73 1.05 0.02 0.00 0.00 175.26 177.18 1su3 h GLU 384 N 8.40 0.39 -0.14 1.61 -0.00 -1.93 -2.39 114.58 120.52 1su3 h GLU 384 Ca -0.23 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.05 1su3 h GLU 384 Cb 1.08 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.73 1su3 h GLU 384 CO 0.97 0.26 -0.17 -0.97 -0.00 0.00 0.00 179.01 179.09 1su3 h ASN 385 N 0.40 0.21 0.00 3.06 -0.00 -1.98 -3.36 115.58 113.91 1su3 h ASN 385 Ca 0.35 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.61 1su3 h ASN 385 Cb 0.50 -0.06 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 1su3 h ASN 385 CO -0.36 0.40 -0.93 0.35 -0.00 0.00 0.00 177.43 176.89 1su3 n THR 386 N -4.24 0.00 -1.11 -3.57 -2.24 -1.06 -5.02 114.28 97.05 1su3 n THR 386 Ca -0.01 -0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 1su3 n THR 386 Cb 0.29 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 1su3 n THR 386 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1su3 n GLY 387 N 2.18 0.64 3.72 3.38 0.00 -0.92 -4.90 105.19 109.29 1su3 n GLY 387 Ca -0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1su3 n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1su3 s LYS 388 N -1.67 4.36 -0.15 1.61 -0.14 -1.26 -0.14 119.74 122.35 1su3 s LYS 388 Ca 0.00 0.54 -0.01 0.00 -1.36 0.00 0.00 55.97 55.13 1su3 s LYS 388 Cb 0.00 -3.44 -0.01 0.00 -1.68 0.00 0.00 37.83 32.70 1su3 s LYS 388 CO 0.00 0.14 -0.11 0.99 -0.76 0.00 0.00 175.35 175.61 1su3 s THR 389 N 0.67 3.14 -0.21 2.17 2.01 0.71 -0.56 115.64 123.57 1su3 s THR 389 Ca 0.28 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.58 1su3 s THR 389 Cb -0.16 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1su3 s THR 389 CO 0.12 0.50 0.11 -0.31 -0.69 0.00 0.00 174.62 174.35 1su3 s TYR 390 N 0.64 3.28 -0.17 4.92 1.51 0.40 -0.34 117.35 127.60 1su3 s TYR 390 Ca -0.06 0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 56.11 1su3 s TYR 390 Cb -0.15 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 1su3 s TYR 390 CO 0.03 0.10 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.41 1su3 s PHE 391 N 0.72 2.88 -0.21 2.71 0.08 -0.09 -1.75 117.98 122.30 1su3 s PHE 391 Ca 0.06 -0.82 -0.10 0.00 0.12 0.00 0.00 56.93 56.19 1su3 s PHE 391 Cb -0.13 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1su3 s PHE 391 CO 0.02 -0.38 0.14 -0.06 -0.10 0.00 0.00 175.22 174.84 1su3 s PHE 392 N 0.84 3.36 -0.27 0.36 0.08 0.29 -1.05 117.98 121.60 1su3 s PHE 392 Ca -0.03 0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.27 1su3 s PHE 392 Cb -0.15 -2.20 0.09 0.00 -0.57 0.00 0.00 43.02 40.19 1su3 s PHE 392 CO 0.01 0.19 0.09 0.08 -0.10 0.00 0.00 175.22 175.49 1su3 s VAL 393 N 0.63 0.49 0.00 -0.44 1.01 0.42 -0.80 120.40 121.72 1su3 s VAL 393 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1su3 s VAL 393 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1su3 s VAL 393 CO 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 175.10 174.56 1su3 n ALA 394 N 5.03 0.00 1.18 5.51 0.00 -1.26 -1.08 120.51 129.89 1su3 n ALA 394 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1su3 n ALA 394 Cb 0.44 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.99 1su3 n ALA 394 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1su3 n ASN 395 N 4.61 1.36 -4.43 0.00 2.04 -1.22 -4.43 115.26 113.20 1su3 n ASN 395 Ca 0.00 -2.02 -0.21 0.00 -0.44 0.00 0.00 54.58 51.91 1su3 n ASN 395 Cb 0.00 -0.19 -0.11 0.00 -2.53 0.00 0.00 39.78 36.96 1su3 n ASN 395 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1su3 s LYS 396 N -1.67 1.60 0.06 -3.83 1.02 -0.24 -1.75 119.74 114.92 1su3 s LYS 396 Ca 0.16 -1.87 -0.09 0.00 0.02 0.00 0.00 55.97 54.19 1su3 s LYS 396 Cb 0.09 -0.82 -0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1su3 s LYS 396 CO 0.10 -0.17 0.18 1.52 -0.92 0.00 0.00 175.35 176.07 1su3 s TYR 397 N -3.32 0.11 0.10 3.18 -0.85 0.15 -0.43 117.35 116.29 1su3 s TYR 397 Ca 0.35 -0.43 0.10 0.00 -0.52 0.00 0.00 57.07 56.58 1su3 s TYR 397 Cb 0.08 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1su3 s TYR 397 CO 0.14 -0.47 -0.26 -1.58 -1.52 0.00 0.00 175.55 171.86 1su3 s TRP 398 N -3.13 2.25 -0.17 -3.49 0.52 -0.21 -0.98 118.94 113.74 1su3 s TRP 398 Ca -0.01 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.72 1su3 s TRP 398 Cb 0.02 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 31.08 1su3 s TRP 398 CO -0.07 0.27 -0.16 0.50 0.02 0.00 0.00 176.95 177.51 1su3 s ARG 399 N -1.81 3.17 -0.11 4.98 3.52 -1.26 -0.91 118.95 126.53 1su3 s ARG 399 Ca 0.13 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1su3 s ARG 399 Cb -0.10 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1su3 s ARG 399 CO 0.05 -0.06 -0.08 -0.47 -0.81 0.00 0.00 175.30 173.93 1su3 s TYR 400 N 0.99 2.91 -0.36 5.12 5.04 0.54 -0.91 117.35 130.67 1su3 s TYR 400 Ca -0.02 -0.27 -0.17 0.00 -2.44 0.00 0.00 57.07 54.17 1su3 s TYR 400 Cb -0.15 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.34 1su3 s TYR 400 CO -0.03 0.06 0.44 0.34 -1.34 0.00 0.00 175.55 175.02 1su3 s ASP 401 N -0.12 6.24 0.41 4.32 -1.08 -0.43 -0.21 116.67 125.80 1su3 s ASP 401 Ca 0.01 -0.25 0.22 0.00 -0.52 0.00 0.00 52.55 52.01 1su3 s ASP 401 Cb -0.13 -2.23 0.71 0.00 -1.46 0.00 0.00 42.92 39.81 1su3 s ASP 401 CO 0.03 -0.45 1.74 -0.33 0.52 0.00 0.00 175.17 176.67 1su3 h GLU 402 N 8.53 0.00 0.14 4.34 4.39 -0.83 0.12 114.58 131.26 1su3 h GLU 402 Ca -0.28 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.15 1su3 h GLU 402 Cb 1.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1su3 h GLU 402 CO 0.75 0.27 -1.32 1.88 -1.16 0.00 0.00 179.01 179.43 1su3 h TYR 403 N 0.00 0.54 0.00 4.33 0.05 -1.91 -3.25 116.97 116.72 1su3 h TYR 403 Ca -0.00 -0.39 0.00 0.00 0.05 0.00 0.00 58.73 58.38 1su3 h TYR 403 Cb 0.89 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.61 1su3 h TYR 403 CO 0.00 1.51 0.00 0.87 -1.05 0.00 0.00 178.16 179.49 1su3 h LYS 404 N -0.24 0.00 -5.92 4.88 1.57 -1.94 -3.47 116.57 111.46 1su3 h LYS 404 Ca -0.27 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.13 1su3 h LYS 404 Cb 1.80 0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.22 1su3 h LYS 404 CO 0.11 0.00 -0.82 0.54 -0.57 0.00 0.00 179.45 178.71 1su3 n ARG 405 N -2.80 -4.92 -3.53 3.15 1.74 0.39 -5.00 116.66 105.69 1su3 n ARG 405 Ca 0.02 0.70 -0.16 0.00 -0.77 0.00 0.00 57.85 57.64 1su3 n ARG 405 Cb 0.35 -5.37 -0.05 0.00 -1.02 0.00 0.00 32.46 26.37 1su3 n ARG 405 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1su3 s SER 406 N -4.22 -0.58 0.33 0.55 1.04 -1.02 -5.02 113.70 104.77 1su3 s SER 406 Ca 0.07 0.49 -0.29 0.00 0.48 0.00 0.00 55.95 56.70 1su3 s SER 406 Cb -0.02 0.53 -0.11 0.00 0.10 0.00 0.00 66.02 66.52 1su3 s SER 406 CO 0.79 -0.67 1.50 -0.32 0.98 0.00 0.00 173.24 175.51 1su3 s MET 407 N -1.78 4.15 0.56 4.02 1.75 -1.26 -1.32 119.30 125.42 1su3 s MET 407 Ca -0.08 2.51 -0.19 0.00 -1.25 0.00 0.00 55.69 56.68 1su3 s MET 407 Cb -0.01 -3.01 -0.05 0.00 2.84 0.00 0.00 34.83 34.60 1su3 s MET 407 CO 0.04 -0.52 1.11 -0.51 -0.65 0.00 0.00 175.02 174.49 1su3 s ASP 408 N 0.08 5.71 0.62 1.11 1.01 -0.09 -4.83 116.67 120.28 1su3 s ASP 408 Ca 0.56 2.10 -0.16 0.00 0.71 0.00 0.00 52.55 55.76 1su3 s ASP 408 Cb -0.46 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 40.88 1su3 s ASP 408 CO 0.55 -1.22 1.11 -2.16 0.21 0.00 0.00 175.17 173.65 1su3 s PRO 409 N -3.44 3.04 0.00 8.23 0.04 -1.26 -4.22 135.00 137.39 1su3 s PRO 409 Ca 0.71 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1su3 s PRO 409 Cb -0.22 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1su3 s PRO 409 CO 0.29 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.67 1su3 n GLY 410 N -0.41 0.79 3.76 0.56 0.00 -1.26 -5.06 105.19 103.57 1su3 n GLY 410 Ca 0.10 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1su3 n GLY 410 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1su3 s TYR 411 N -2.00 2.99 0.54 1.61 2.02 -1.26 -4.46 117.35 116.79 1su3 s TYR 411 Ca 0.00 -0.13 -0.15 0.00 -0.37 0.00 0.00 57.07 56.42 1su3 s TYR 411 Cb 0.00 -1.36 -0.07 0.00 -0.40 0.00 0.00 41.96 40.13 1su3 s TYR 411 CO 0.00 0.54 0.99 -1.25 -1.57 0.00 0.00 175.55 174.26 1su3 s PRO 412 N -3.60 3.86 0.36 -1.71 0.04 -1.26 -5.10 135.00 127.59 1su3 s PRO 412 Ca 0.32 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.33 1su3 s PRO 412 Cb -0.08 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 1su3 s PRO 412 CO 0.23 -0.33 0.05 0.15 0.04 0.00 0.00 177.00 177.13 1su3 s LYS 413 N -4.33 2.10 0.02 4.56 1.02 -0.15 -4.90 119.74 118.06 1su3 s LYS 413 Ca 0.58 -1.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.49 1su3 s LYS 413 Cb -0.10 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1su3 s LYS 413 CO 0.37 0.07 0.87 -1.64 -0.92 0.00 0.00 175.35 174.10 1su3 s MET 414 N -3.75 4.55 0.20 1.68 -1.94 -1.26 -0.68 119.30 118.11 1su3 s MET 414 Ca 0.36 1.24 -0.10 0.00 -1.71 0.00 0.00 55.69 55.48 1su3 s MET 414 Cb 0.02 -3.42 0.25 0.00 2.01 0.00 0.00 34.83 33.69 1su3 s MET 414 CO 0.20 0.11 1.76 0.82 -0.01 0.00 0.00 175.02 177.90 1su3 h ILE 415 N 4.47 0.84 0.00 2.53 2.04 -1.64 -2.65 117.51 123.10 1su3 h ILE 415 Ca -0.42 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1su3 h ILE 415 Cb 1.21 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1su3 h ILE 415 CO 0.73 0.09 -0.22 0.00 0.00 0.00 0.00 178.15 178.75 1su3 h ALA 416 N 1.38 1.55 -0.26 1.87 0.00 -1.79 -0.07 119.26 121.94 1su3 h ALA 416 Ca 0.29 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1su3 h ALA 416 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1su3 h ALA 416 CO -0.26 0.28 -0.43 0.45 0.00 0.00 0.00 179.25 179.29 1su3 h HIS 417 N 0.00 0.93 0.00 0.00 3.86 -1.87 -3.31 115.15 114.76 1su3 h HIS 417 Ca -0.00 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 58.84 1su3 h HIS 417 Cb 0.41 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1su3 h HIS 417 CO 0.00 1.11 -1.90 -0.25 0.86 0.00 0.00 177.93 177.75 1su3 n ASP 418 N -4.16 0.79 -3.20 2.45 8.00 -1.03 -4.47 116.55 114.94 1su3 n ASP 418 Ca -0.05 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.19 1su3 n ASP 418 Cb 0.56 1.69 -0.06 0.00 -0.02 0.00 0.00 41.12 43.29 1su3 n ASP 418 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1su3 n PHE 419 N -2.22 3.26 -1.89 1.24 3.72 -0.07 -5.04 117.46 116.46 1su3 n PHE 419 Ca -0.07 -4.03 -0.41 0.00 -0.05 0.00 0.00 57.45 52.89 1su3 n PHE 419 Cb 0.57 -0.51 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1su3 n PHE 419 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1su3 s PRO 420 N -2.77 4.19 0.00 -1.08 0.04 -1.25 -3.31 135.00 130.83 1su3 s PRO 420 Ca 0.43 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1su3 s PRO 420 Cb 0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1su3 s PRO 420 CO -0.07 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1su3 n GLY 421 N 2.07 2.76 0.58 0.56 0.00 -1.26 -4.39 105.19 105.51 1su3 n GLY 421 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1su3 n GLY 421 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1su3 n ILE 422 N -0.94 0.00 -2.68 -0.61 -5.35 -1.21 -4.99 119.36 103.58 1su3 n ILE 422 Ca 0.00 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1su3 n ILE 422 Cb 0.00 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1su3 n ILE 422 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1su3 n GLY 423 N 1.26 -1.08 0.11 3.28 0.00 -1.26 -4.67 105.19 102.83 1su3 n GLY 423 Ca 0.16 -1.46 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1su3 n GLY 423 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1su3 n HIS 424 N 0.00 0.00 -3.72 1.61 -0.00 -1.26 -4.32 115.22 107.52 1su3 n HIS 424 Ca 0.00 -0.56 -0.14 0.00 -0.00 0.00 0.00 57.72 57.02 1su3 n HIS 424 Cb 0.00 -0.08 -0.09 0.00 -0.00 0.00 0.00 29.99 29.81 1su3 n HIS 424 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1su3 s LYS 425 N -1.48 0.57 -0.06 -0.41 2.47 -1.26 -3.38 119.74 116.19 1su3 s LYS 425 Ca 0.13 0.37 -0.00 0.00 -1.56 0.00 0.00 55.97 54.91 1su3 s LYS 425 Cb 0.11 0.27 0.03 0.00 -1.46 0.00 0.00 37.83 36.78 1su3 s LYS 425 CO 0.01 -0.11 -0.01 0.08 0.16 0.00 0.00 175.35 175.48 1su3 s VAL 426 N -0.26 0.41 -0.04 4.02 1.01 -1.26 -4.72 120.40 119.55 1su3 s VAL 426 Ca -0.04 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1su3 s VAL 426 Cb -0.03 -0.52 -0.31 0.00 0.00 0.00 0.00 36.38 35.51 1su3 s VAL 426 CO 0.02 0.24 0.84 0.44 0.00 0.00 0.00 175.10 176.64 1su3 h ASP 427 N 7.90 0.53 -4.97 3.32 3.32 -1.02 -3.39 116.42 122.10 1su3 h ASP 427 Ca -0.27 -0.93 -0.02 0.00 0.02 0.00 0.00 57.03 55.83 1su3 h ASP 427 Cb 1.13 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1su3 h ASP 427 CO 0.34 1.50 0.23 0.00 -1.72 0.00 0.00 179.24 179.59 1su3 s ALA 428 N -2.47 -1.64 -0.08 3.45 0.00 -1.13 -4.26 121.76 115.63 1su3 s ALA 428 Ca -0.14 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 1su3 s ALA 428 Cb 0.02 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.92 1su3 s ALA 428 CO 0.84 -0.70 0.59 0.54 0.00 0.00 0.00 175.76 177.03 1su3 s VAL 429 N -3.33 0.01 0.13 0.00 0.11 -1.26 -0.88 120.40 115.17 1su3 s VAL 429 Ca -0.01 -0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1su3 s VAL 429 Cb -0.01 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1su3 s VAL 429 CO -0.09 -0.05 0.27 0.72 -3.33 0.00 0.00 175.10 172.61 1su3 s PHE 430 N -0.87 0.17 -0.05 1.54 -0.12 -0.90 -4.60 117.98 113.14 1su3 s PHE 430 Ca -0.09 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 1su3 s PHE 430 Cb -0.02 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.35 1su3 s PHE 430 CO 0.07 -0.65 -0.02 1.41 -0.05 0.00 0.00 175.22 175.98 1su3 s MET 431 N -3.89 2.84 -0.21 1.99 -2.45 -1.26 -0.36 119.30 115.96 1su3 s MET 431 Ca 0.09 -0.52 -0.14 0.00 -1.25 0.00 0.00 55.69 53.87 1su3 s MET 431 Cb 0.04 -2.69 0.06 0.00 1.25 0.00 0.00 34.83 33.49 1su3 s MET 431 CO -0.07 0.66 0.52 0.21 1.05 0.00 0.00 175.02 177.39 1su3 s LYS 432 N -1.11 0.54 -1.47 4.11 2.20 -0.70 -4.88 119.74 118.42 1su3 s LYS 432 Ca 0.15 0.88 -0.13 0.00 -0.36 0.00 0.00 55.97 56.51 1su3 s LYS 432 Cb -0.11 0.11 0.10 0.00 -1.51 0.00 0.00 37.83 36.42 1su3 s LYS 432 CO 0.05 -0.13 0.70 -0.25 -0.36 0.00 0.00 175.35 175.36 1su3 n ASP 433 N 3.84 -3.89 0.00 1.43 10.43 -1.26 -1.77 116.55 125.33 1su3 n ASP 433 Ca -0.20 -0.67 0.00 0.00 2.57 0.00 0.00 54.79 56.50 1su3 n ASP 433 Cb 0.57 -3.18 0.00 0.00 1.84 0.00 0.00 41.12 40.35 1su3 n ASP 433 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1su3 n GLY 434 N -1.36 2.51 3.86 0.44 0.00 -1.26 -5.03 105.19 104.35 1su3 n GLY 434 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1su3 n GLY 434 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1su3 s PHE 435 N -2.43 3.61 -0.01 1.61 0.08 -0.73 -4.62 117.98 115.49 1su3 s PHE 435 Ca 0.00 0.89 -0.24 0.00 0.12 0.00 0.00 56.93 57.70 1su3 s PHE 435 Cb 0.00 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1su3 s PHE 435 CO 0.00 0.51 0.75 -0.06 -0.10 0.00 0.00 175.22 176.32 1su3 s PHE 436 N -1.37 3.65 -0.36 0.36 0.40 -0.60 -1.71 117.98 118.35 1su3 s PHE 436 Ca 0.33 1.38 -0.04 0.00 -0.60 0.00 0.00 56.93 57.99 1su3 s PHE 436 Cb -0.15 -2.83 0.07 0.00 0.51 0.00 0.00 43.02 40.62 1su3 s PHE 436 CO 0.18 0.17 0.12 0.71 0.70 0.00 0.00 175.22 177.10 1su3 s TYR 437 N 0.43 3.37 -0.12 0.36 1.51 0.51 -0.17 117.35 123.23 1su3 s TYR 437 Ca 0.39 -1.86 -0.07 0.00 -1.01 0.00 0.00 57.07 54.52 1su3 s TYR 437 Cb -0.19 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 1su3 s TYR 437 CO 0.21 -0.84 0.14 -0.06 -1.11 0.00 0.00 175.55 173.89 1su3 s PHE 438 N 1.28 3.60 -0.06 2.71 0.08 0.15 -2.12 117.98 123.62 1su3 s PHE 438 Ca 0.01 0.53 0.04 0.00 0.12 0.00 0.00 56.93 57.63 1su3 s PHE 438 Cb -0.21 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1su3 s PHE 438 CO -0.01 0.74 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.60 1su3 s PHE 439 N -1.04 2.00 -0.12 0.36 0.40 -0.06 -0.31 117.98 119.21 1su3 s PHE 439 Ca 0.15 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1su3 s PHE 439 Cb -0.12 -1.35 0.06 0.00 0.51 0.00 0.00 43.02 42.12 1su3 s PHE 439 CO 0.05 -0.25 0.21 -1.58 0.70 0.00 0.00 175.22 174.34 1su3 s HIS 440 N 0.16 -0.28 0.00 0.36 2.46 -0.62 -0.47 115.29 116.90 1su3 s HIS 440 Ca -0.09 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.13 1su3 s HIS 440 Cb -0.14 -0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.12 1su3 s HIS 440 CO 0.04 -0.35 0.00 0.41 -2.47 0.00 0.00 174.74 172.37 1su3 n GLY 441 N 5.33 3.06 0.70 1.59 0.00 -1.26 -1.36 105.19 113.25 1su3 n GLY 441 Ca -0.05 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1su3 n GLY 441 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1su3 n THR 442 N 0.00 0.52 -3.93 2.61 -2.24 -1.26 -4.60 114.28 105.37 1su3 n THR 442 Ca 0.00 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 1su3 n THR 442 Cb 0.00 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1su3 n THR 442 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1su3 s ARG 443 N -1.51 3.39 -0.07 -0.78 0.52 -0.46 -1.29 118.95 118.76 1su3 s ARG 443 Ca 0.25 -0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 1su3 s ARG 443 Cb 0.13 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.47 1su3 s ARG 443 CO 0.17 0.77 -0.09 -1.14 0.02 0.00 0.00 175.30 175.03 1su3 s GLN 444 N -1.01 1.37 -0.15 3.54 0.74 0.85 -1.59 119.66 123.42 1su3 s GLN 444 Ca 0.15 -0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1su3 s GLN 444 Cb -0.12 -1.26 -0.00 0.00 1.10 0.00 0.00 33.01 32.73 1su3 s GLN 444 CO 0.04 -0.07 -0.15 0.71 -0.55 0.00 0.00 175.29 175.27 1su3 s TYR 445 N 0.99 2.78 -0.26 1.67 1.51 0.58 -1.21 117.35 123.40 1su3 s TYR 445 Ca -0.09 -0.95 -0.20 0.00 -1.01 0.00 0.00 57.07 54.82 1su3 s TYR 445 Cb -0.15 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1su3 s TYR 445 CO 0.00 -0.42 0.63 0.21 -1.11 0.00 0.00 175.55 174.86 1su3 s LYS 446 N 0.71 4.08 -0.11 -0.62 2.20 -0.80 -0.68 119.74 124.51 1su3 s LYS 446 Ca -0.07 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.06 1su3 s LYS 446 Cb -0.16 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1su3 s LYS 446 CO 0.02 -0.44 -0.15 0.12 -0.36 0.00 0.00 175.35 174.54 1su3 s PHE 447 N 2.52 2.76 -0.42 4.03 2.19 0.76 -1.15 117.98 128.67 1su3 s PHE 447 Ca 0.26 -0.63 -0.14 0.00 0.33 0.00 0.00 56.93 56.75 1su3 s PHE 447 Cb -0.15 -1.80 0.04 0.00 -1.31 0.00 0.00 43.02 39.80 1su3 s PHE 447 CO 0.09 -0.18 0.30 0.34 1.83 0.00 0.00 175.22 177.60 1su3 s ASP 448 N 0.20 6.02 0.46 6.13 3.68 -0.61 -1.56 116.67 130.99 1su3 s ASP 448 Ca -0.09 -1.04 0.31 0.00 2.13 0.00 0.00 52.55 53.86 1su3 s ASP 448 Cb -0.15 -2.13 1.33 0.00 -1.45 0.00 0.00 42.92 40.52 1su3 s ASP 448 CO 0.05 -0.48 1.92 1.55 0.13 0.00 0.00 175.17 178.34 1su3 h PRO 449 N 8.61 0.00 0.11 4.34 0.13 -1.88 0.18 132.00 143.49 1su3 h PRO 449 Ca -0.27 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.59 1su3 h PRO 449 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1su3 h PRO 449 CO 0.75 0.00 -1.38 1.57 -0.23 0.00 0.00 178.00 178.71 1su3 h LYS 450 N 0.00 0.22 -0.14 0.86 2.10 -1.93 -3.34 116.57 114.34 1su3 h LYS 450 Ca 0.00 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1su3 h LYS 450 Cb 0.41 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1su3 h LYS 450 CO 0.00 1.18 0.00 0.25 -2.00 0.00 0.00 179.45 178.88 1su3 n THR 451 N -3.96 0.16 -3.76 0.07 -2.24 -1.22 -5.00 114.28 98.34 1su3 n THR 451 Ca -0.25 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 60.84 1su3 n THR 451 Cb 0.88 0.57 0.03 0.00 -2.10 0.00 0.00 70.33 69.71 1su3 n THR 451 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1su3 n LYS 452 N 0.50 -1.66 -3.60 -0.78 5.02 0.04 -5.00 118.16 112.68 1su3 n LYS 452 Ca 0.17 0.42 -0.11 0.00 -2.02 0.00 0.00 58.31 56.78 1su3 n LYS 452 Cb 0.39 -4.12 -0.03 0.00 -0.02 0.00 0.00 35.03 31.25 1su3 n LYS 452 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1su3 s ARG 453 N -6.19 1.31 0.03 1.97 1.70 -1.15 -4.81 118.95 111.81 1su3 s ARG 453 Ca 0.37 -0.68 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 1su3 s ARG 453 Cb -0.14 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1su3 s ARG 453 CO 0.87 -0.56 1.20 0.42 -1.08 0.00 0.00 175.30 176.15 1su3 s ILE 454 N -3.81 4.12 -0.20 4.99 -1.09 -1.26 -1.57 121.20 122.38 1su3 s ILE 454 Ca 0.05 1.50 0.18 0.00 -2.23 0.00 0.00 60.65 60.15 1su3 s ILE 454 Cb -0.01 -3.96 -0.25 0.00 -1.58 0.00 0.00 42.46 36.66 1su3 s ILE 454 CO -0.08 0.08 0.08 0.18 -1.23 0.00 0.00 174.94 173.97 1su3 n LEU 455 N 4.32 0.02 -3.91 2.97 4.77 -0.30 -4.97 117.00 119.89 1su3 n LEU 455 Ca 0.09 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1su3 n LEU 455 Cb 0.46 0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 41.93 1su3 n LEU 455 CO 0.55 0.50 -0.29 -0.89 -1.33 0.00 0.00 177.39 175.93 1su3 s THR 456 N -2.49 0.07 -0.20 -5.08 2.01 -1.22 -4.98 115.64 103.75 1su3 s THR 456 Ca -0.10 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1su3 s THR 456 Cb 0.06 -0.26 0.07 0.00 0.01 0.00 0.00 72.50 72.38 1su3 s THR 456 CO 0.83 -0.32 0.08 -0.22 -0.69 0.00 0.00 174.62 174.29 1su3 s LEU 457 N -1.00 0.72 0.00 4.42 2.96 -1.26 -1.91 118.68 122.60 1su3 s LEU 457 Ca -0.11 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.03 1su3 s LEU 457 Cb -0.07 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 1su3 s LEU 457 CO 0.00 -0.35 0.07 0.00 -1.32 0.00 0.00 176.35 174.75 1su3 n GLN 458 N 5.18 0.15 -2.03 1.98 10.64 -0.35 -4.97 117.38 127.99 1su3 n GLN 458 Ca -0.07 -0.87 -0.32 0.00 -1.83 0.00 0.00 57.00 53.91 1su3 n GLN 458 Cb 0.47 0.70 0.01 0.00 -0.86 0.00 0.00 30.24 30.56 1su3 n GLN 458 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1su3 s LYS 459 N -2.36 3.44 0.50 2.61 -0.14 -1.26 -0.10 119.74 122.43 1su3 s LYS 459 Ca 0.10 1.04 0.19 0.00 -1.36 0.00 0.00 55.97 55.94 1su3 s LYS 459 Cb 0.00 -2.06 1.26 0.00 -1.68 0.00 0.00 37.83 35.35 1su3 s LYS 459 CO 0.07 -0.70 2.08 0.00 -0.76 0.00 0.00 175.35 176.04 1su3 h ALA 460 N 0.26 1.66 -0.35 5.17 0.00 -1.44 -2.72 119.26 121.85 1su3 h ALA 460 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1su3 h ALA 460 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1su3 h ALA 460 CO 0.59 0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.24 1su3 n ASN 461 N -4.18 2.79 0.26 0.00 6.94 -1.26 -4.52 115.26 115.30 1su3 n ASN 461 Ca -0.03 -2.24 0.15 0.00 -0.02 0.00 0.00 54.58 52.44 1su3 n ASN 461 Cb 0.19 -0.43 0.61 0.00 -2.36 0.00 0.00 39.78 37.79 1su3 n ASN 461 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1su3 h SER 462 N 2.19 0.00 0.93 0.53 4.64 -1.84 -2.74 113.55 117.25 1su3 h SER 462 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1su3 h SER 462 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1su3 h SER 462 CO 0.13 0.05 0.00 -0.50 -0.87 0.00 0.00 176.83 175.64 1su3 h TRP 463 N 0.00 0.00 -1.85 4.77 4.06 -1.86 -3.45 115.95 117.62 1su3 h TRP 463 Ca -0.00 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.48 1su3 h TRP 463 Cb 0.59 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 28.81 1su3 h TRP 463 CO 0.00 0.00 0.03 -0.06 -3.56 0.00 0.00 178.44 174.85 1su3 s PHE 464 N -3.34 1.74 -2.00 0.49 2.99 -1.04 -4.99 117.98 111.84 1su3 s PHE 464 Ca 0.05 -0.36 0.16 0.00 0.00 0.00 0.00 56.93 56.78 1su3 s PHE 464 Cb 0.10 -2.75 0.95 0.00 0.00 0.00 0.00 43.02 41.31 1su3 s PHE 464 CO 0.46 -1.43 1.36 0.09 -0.00 0.00 0.00 175.22 175.70