#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1u n ALA 8 N 0.00 2.84 -1.73 -0.43 0.00 -1.26 -4.90 120.51 115.02 2i1u n ALA 8 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 2i1u n ALA 8 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2i1u n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2i1u s THR 9 N -3.38 4.18 -0.07 0.00 -4.23 -1.26 -4.74 115.64 106.15 2i1u s THR 9 Ca -0.02 0.95 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 2i1u s THR 9 Cb 0.12 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 2i1u s THR 9 CO 0.83 -0.69 -0.07 0.27 -0.54 0.00 0.00 174.62 174.43 2i1u s ILE 10 N -2.68 3.72 -0.11 2.99 -4.36 -0.36 -4.99 121.20 115.43 2i1u s ILE 10 Ca 0.60 -0.47 -0.23 0.00 -0.26 0.00 0.00 60.65 60.30 2i1u s ILE 10 Cb -0.13 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 2i1u s ILE 10 CO 0.40 0.60 0.68 -0.75 0.24 0.00 0.00 174.94 176.10 2i1u s LYS 11 N -0.78 4.37 0.17 0.37 2.20 -1.26 -0.77 119.74 124.03 2i1u s LYS 11 Ca 0.12 0.81 0.10 0.00 -0.36 0.00 0.00 55.97 56.63 2i1u s LYS 11 Cb -0.11 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2i1u s LYS 11 CO 0.01 -0.03 -0.21 0.14 -0.36 0.00 0.00 175.35 174.90 2i1u s VAL 12 N 1.15 2.03 0.38 4.02 -7.23 -0.50 -4.92 120.40 115.32 2i1u s VAL 12 Ca 0.35 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2i1u s VAL 12 Cb -0.17 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2i1u s VAL 12 CO 0.15 -0.19 0.12 0.42 -0.31 0.00 0.00 175.10 175.29 2i1u s THR 13 N -1.74 0.68 0.27 5.32 -4.23 -1.26 -4.47 115.64 110.20 2i1u s THR 13 Ca 0.16 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2i1u s THR 13 Cb -0.07 -2.44 0.26 0.00 1.34 0.00 0.00 72.50 71.59 2i1u s THR 13 CO 0.07 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.43 2i1u h ASP 14 N 1.89 0.87 0.96 3.99 3.45 -1.89 -0.83 116.42 124.86 2i1u h ASP 14 Ca -0.36 0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.01 2i1u h ASP 14 Cb 1.27 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.89 2i1u h ASP 14 CO 0.59 0.48 -0.65 0.00 -1.57 0.00 0.00 179.24 178.08 2i1u h ALA 15 N 1.51 0.73 -0.01 3.45 0.00 -1.99 -3.28 119.26 119.67 2i1u h ALA 15 Ca 0.47 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2i1u h ALA 15 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2i1u h ALA 15 CO -0.26 0.81 -0.76 -1.13 0.00 0.00 0.00 179.25 177.92 2i1u n SER 16 N -3.49 1.30 -0.15 0.00 3.41 -0.80 -4.63 113.62 109.26 2i1u n SER 16 Ca 0.00 -1.11 -0.07 0.00 -0.26 0.00 0.00 58.87 57.43 2i1u n SER 16 Cb 0.71 0.74 0.01 0.00 -0.26 0.00 0.00 64.21 65.41 2i1u n SER 16 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2i1u h PHE 17 N 0.84 0.54 -0.79 7.33 3.57 -1.24 -0.94 116.94 126.25 2i1u h PHE 17 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2i1u h PHE 17 Cb 0.58 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2i1u h PHE 17 CO 0.00 0.33 0.43 0.00 -2.23 0.00 0.00 178.31 176.84 2i1u h ALA 18 N 1.18 1.02 -0.10 2.41 0.00 -1.82 -1.33 119.26 120.62 2i1u h ALA 18 Ca 0.17 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2i1u h ALA 18 Cb -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2i1u h ALA 18 CO -0.05 0.53 -0.56 1.79 0.00 0.00 0.00 179.25 180.96 2i1u h THR 19 N 1.10 1.36 0.00 0.00 1.35 -1.81 -1.57 112.91 113.34 2i1u h THR 19 Ca 0.28 -1.88 -0.23 0.00 -0.55 0.00 0.00 66.41 64.03 2i1u h THR 19 Cb 0.05 2.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 2i1u h THR 19 CO -0.04 0.57 -1.20 0.44 -0.25 0.00 0.00 175.52 175.03 2i1u h ASP 20 N 0.17 0.00 0.00 5.36 3.32 -1.12 -3.36 116.42 120.79 2i1u h ASP 20 Ca -0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2i1u h ASP 20 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2i1u h ASP 20 CO 0.12 0.95 -0.43 0.52 -1.72 0.00 0.00 179.24 178.68 2i1u n VAL 21 N -3.23 1.28 0.21 -1.35 0.31 -0.52 -4.36 118.33 110.68 2i1u n VAL 21 Ca -0.05 0.29 0.06 0.00 -0.01 0.00 0.00 64.34 64.62 2i1u n VAL 21 Cb 0.96 -1.85 0.45 0.00 -0.91 0.00 0.00 33.84 32.49 2i1u n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2i1u h LEU 22 N -0.36 0.00 -2.19 7.52 3.38 -1.34 -2.81 115.31 119.52 2i1u h LEU 22 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2i1u h LEU 22 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2i1u h LEU 22 CO -0.01 0.31 0.00 -1.20 0.09 0.00 0.00 178.44 177.63 2i1u n SER 23 N -3.80 3.18 -4.78 -0.43 7.64 -0.61 -3.34 113.62 111.48 2i1u n SER 23 Ca -0.01 -1.94 -0.41 0.00 1.01 0.00 0.00 58.87 57.52 2i1u n SER 23 Cb 0.40 -0.17 -0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2i1u n SER 23 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2i1u s SER 24 N -1.51 6.35 -0.07 6.43 0.15 -1.06 -4.94 113.70 119.05 2i1u s SER 24 Ca 0.33 3.05 -0.26 0.00 0.70 0.00 0.00 55.95 59.76 2i1u s SER 24 Cb 0.20 -2.67 -0.22 0.00 -1.71 0.00 0.00 66.02 61.62 2i1u s SER 24 CO 0.28 -0.87 1.02 -1.13 1.20 0.00 0.00 173.24 173.75 2i1u h ASN 25 N 3.02 -0.02 -4.05 5.45 -0.00 -1.94 -3.41 115.58 114.64 2i1u h ASN 25 Ca -0.51 -0.67 -0.49 0.00 -0.00 0.00 0.00 56.30 54.63 2i1u h ASN 25 Cb 1.24 0.00 0.05 0.00 -0.00 0.00 0.00 38.32 39.61 2i1u h ASN 25 CO 0.64 0.68 0.42 -0.75 -0.00 0.00 0.00 177.43 178.42 2i1u s LYS 26 N -3.35 3.69 0.53 6.67 2.20 -1.26 -4.79 119.74 123.43 2i1u s LYS 26 Ca -0.17 1.53 -0.21 0.00 -0.36 0.00 0.00 55.97 56.76 2i1u s LYS 26 Cb -0.00 -2.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.08 2i1u s LYS 26 CO 0.66 -0.56 1.14 -2.30 -0.36 0.00 0.00 175.35 173.93 2i1u n PRO 27 N -0.89 1.36 -4.18 4.03 -0.02 -1.26 -4.82 135.00 129.23 2i1u n PRO 27 Ca 0.09 0.50 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 2i1u n PRO 27 Cb 0.51 -2.31 -0.17 0.00 -0.02 0.00 0.00 33.50 31.51 2i1u n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2i1u s VAL 28 N -1.36 1.41 -0.38 -1.45 1.01 -0.52 -1.61 120.40 117.50 2i1u s VAL 28 Ca 0.70 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 2i1u s VAL 28 Cb -0.45 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2i1u s VAL 28 CO 0.51 0.43 0.51 -0.22 0.00 0.00 0.00 175.10 176.33 2i1u s LEU 29 N 1.31 4.51 -0.25 3.92 2.96 0.03 -0.32 118.68 130.84 2i1u s LEU 29 Ca -0.00 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 2i1u s LEU 29 Cb -0.14 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 2i1u s LEU 29 CO -0.06 -0.55 0.26 -0.69 -1.32 0.00 0.00 176.35 173.98 2i1u s VAL 30 N 2.39 5.28 -0.47 1.68 1.01 0.33 -0.81 120.40 129.81 2i1u s VAL 30 Ca 0.17 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.34 2i1u s VAL 30 Cb -0.16 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.68 2i1u s VAL 30 CO 0.14 0.27 0.50 -0.62 0.00 0.00 0.00 175.10 175.39 2i1u s ASP 31 N 1.34 6.19 -0.38 3.32 2.15 0.18 -1.40 116.67 128.08 2i1u s ASP 31 Ca 0.11 -0.95 -0.28 0.00 0.43 0.00 0.00 52.55 51.86 2i1u s ASP 31 Cb -0.15 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.25 2i1u s ASP 31 CO 0.08 -0.73 1.06 -0.36 -0.17 0.00 0.00 175.17 175.05 2i1u s PHE 32 N 2.21 3.03 0.26 -5.34 0.40 -0.60 -0.77 117.98 117.16 2i1u s PHE 32 Ca 0.11 0.94 0.02 0.00 -0.60 0.00 0.00 56.93 57.41 2i1u s PHE 32 Cb -0.20 -3.91 -0.03 0.00 0.51 0.00 0.00 43.02 39.39 2i1u s PHE 32 CO 0.11 -0.93 0.20 1.67 0.70 0.00 0.00 175.22 176.97 2i1u s TRP 33 N 3.85 1.38 0.03 0.36 1.48 -0.82 -2.93 118.94 122.30 2i1u s TRP 33 Ca 0.44 -1.48 -0.08 0.00 -1.06 0.00 0.00 56.10 53.93 2i1u s TRP 33 Cb -0.11 -0.60 -0.00 0.00 -1.16 0.00 0.00 33.47 31.61 2i1u s TRP 33 CO 0.21 -0.75 0.15 0.00 -4.06 0.00 0.00 176.95 172.50 2i1u s ALA 34 N -3.84 -0.25 0.28 2.67 0.00 -1.26 -1.48 121.76 117.88 2i1u s ALA 34 Ca 0.39 -0.36 0.19 0.00 0.00 0.00 0.00 51.96 52.18 2i1u s ALA 34 Cb 0.05 0.24 0.85 0.00 0.00 0.00 0.00 23.12 24.26 2i1u s ALA 34 CO 0.18 -0.32 1.83 1.79 0.00 0.00 0.00 175.76 179.24 2i1u h THR 35 N 3.66 0.94 -0.01 0.00 1.35 -2.00 -2.76 112.91 114.08 2i1u h THR 35 Ca -0.32 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2i1u h THR 35 Cb 1.19 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2i1u h THR 35 CO 0.48 0.32 -0.15 -2.67 -0.25 0.00 0.00 175.52 173.25 2i1u n TRP 36 N -3.72 0.00 -3.03 4.73 4.27 -1.26 -4.94 117.44 113.50 2i1u n TRP 36 Ca -0.01 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.19 2i1u n TRP 36 Cb 0.42 -0.08 -0.05 0.00 -1.36 0.00 0.00 31.31 30.24 2i1u n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2i1u h GLY 38 N 8.62 -1.06 1.96 0.00 0.00 -1.92 -2.95 103.07 107.73 2i1u h GLY 38 Ca -0.28 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2i1u h GLY 38 CO 0.81 -0.39 0.02 -0.56 0.00 0.00 0.00 176.54 176.42 2i1u h PRO 39 N -1.09 0.00 -0.01 4.80 0.13 -1.93 -1.16 132.00 132.75 2i1u h PRO 39 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 2i1u h PRO 39 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2i1u h PRO 39 CO 0.17 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.52 2i1u h LYS 41 N 0.02 0.20 -0.35 0.00 1.57 -1.05 -2.22 116.57 114.74 2i1u h LYS 41 Ca -0.00 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2i1u h LYS 41 Cb 0.75 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2i1u h LYS 41 CO 0.06 0.83 0.02 0.52 -0.57 0.00 0.00 179.45 180.31 2i1u h MET 42 N 0.14 0.54 0.00 3.15 2.86 -1.34 -3.07 114.93 117.21 2i1u h MET 42 Ca -0.02 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 2i1u h MET 42 Cb 1.26 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 2i1u h MET 42 CO 0.11 0.55 -1.23 1.55 1.06 0.00 0.00 176.91 178.95 2i1u n VAL 43 N -4.29 0.62 -0.23 -2.22 3.14 -1.04 -4.53 118.33 109.78 2i1u n VAL 43 Ca 0.02 -0.57 0.01 0.00 -2.96 0.00 0.00 64.34 60.85 2i1u n VAL 43 Cb 0.23 -0.35 0.13 0.00 -1.06 0.00 0.00 33.84 32.80 2i1u n VAL 43 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i1u h ALA 44 N 1.91 0.90 0.00 1.55 0.00 -1.31 -2.19 119.26 120.13 2i1u h ALA 44 Ca -0.03 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2i1u h ALA 44 Cb 1.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2i1u h ALA 44 CO 0.01 -0.15 -0.52 -1.35 0.00 0.00 0.00 179.25 177.24 2i1u h PRO 45 N 0.48 0.00 -0.29 0.00 0.11 -1.80 -2.11 132.00 128.39 2i1u h PRO 45 Ca 0.34 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 2i1u h PRO 45 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2i1u h PRO 45 CO -0.31 0.52 0.15 0.28 -0.21 0.00 0.00 178.00 178.42 2i1u h VAL 46 N 0.00 1.14 -0.42 3.15 2.07 -1.74 -2.39 116.25 118.07 2i1u h VAL 46 Ca -0.01 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 2i1u h VAL 46 Cb 1.07 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2i1u h VAL 46 CO 0.07 0.15 -0.08 -0.07 0.02 0.00 0.00 177.57 177.65 2i1u h LEU 47 N 0.35 0.70 -0.38 2.57 3.38 -0.99 -1.46 115.31 119.49 2i1u h LEU 47 Ca 0.10 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2i1u h LEU 47 Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2i1u h LEU 47 CO -0.01 0.82 0.22 -0.33 0.09 0.00 0.00 178.44 179.23 2i1u h GLU 48 N 0.66 0.44 -0.37 1.13 4.39 -1.31 -0.31 114.58 119.22 2i1u h GLU 48 Ca 0.12 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2i1u h GLU 48 Cb 0.53 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2i1u h GLU 48 CO 0.03 0.29 0.18 0.93 -1.16 0.00 0.00 179.01 179.28 2i1u h GLU 49 N 0.45 0.52 -0.39 2.33 5.08 -1.19 -2.58 114.58 118.79 2i1u h GLU 49 Ca 0.15 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2i1u h GLU 49 Cb 0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2i1u h GLU 49 CO -0.07 0.46 0.23 0.82 -1.00 0.00 0.00 179.01 179.44 2i1u h ILE 50 N 0.45 1.14 -0.99 3.13 2.04 -1.02 -0.39 117.51 121.88 2i1u h ILE 50 Ca 0.13 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.74 2i1u h ILE 50 Cb 0.10 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 36.76 2i1u h ILE 50 CO -0.02 0.14 0.63 0.00 0.00 0.00 0.00 178.15 178.91 2i1u h ALA 51 N 1.09 1.51 0.03 1.87 0.00 -0.91 -0.40 119.26 122.44 2i1u h ALA 51 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2i1u h ALA 51 Cb 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2i1u h ALA 51 CO -0.02 0.27 -0.32 0.00 0.00 0.00 0.00 179.25 179.18 2i1u h THR 52 N 1.03 1.59 -0.22 0.00 1.03 -1.22 -3.17 112.91 111.94 2i1u h THR 52 Ca 0.47 -2.16 -0.12 0.00 -0.01 0.00 0.00 66.41 64.60 2i1u h THR 52 Cb 0.40 2.99 -0.01 0.00 -1.07 0.00 0.00 68.15 70.46 2i1u h THR 52 CO -0.23 0.59 -0.35 -0.33 -0.01 0.00 0.00 175.52 175.19 2i1u h GLU 53 N -0.57 0.49 -0.30 0.00 5.08 -0.88 -3.20 114.58 115.19 2i1u h GLU 53 Ca -0.05 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 2i1u h GLU 53 Cb 1.14 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 2i1u h GLU 53 CO 0.06 0.77 -0.02 0.54 -1.00 0.00 0.00 179.01 179.36 2i1u n ARG 54 N -4.06 2.31 -0.16 2.33 5.12 -0.18 -4.79 116.66 117.23 2i1u n ARG 54 Ca -0.01 -2.99 0.11 0.00 -1.93 0.00 0.00 57.85 53.02 2i1u n ARG 54 Cb 0.47 -1.82 0.43 0.00 -1.16 0.00 0.00 32.46 30.38 2i1u n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2i1u h ALA 55 N 1.30 1.89 0.00 7.54 0.00 -1.54 -1.10 119.26 127.35 2i1u h ALA 55 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2i1u h ALA 55 Cb 1.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2i1u h ALA 55 CO 0.31 -0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.30 2i1u h THR 56 N 0.58 0.00 0.00 0.00 1.35 -1.89 -3.31 112.91 109.64 2i1u h THR 56 Ca 0.33 -0.38 -0.10 0.00 -0.55 0.00 0.00 66.41 65.71 2i1u h THR 56 Cb 0.53 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 2i1u h THR 56 CO -0.12 0.00 -1.56 0.47 -0.25 0.00 0.00 175.52 174.07 2i1u n ASP 57 N -2.32 2.73 -3.74 5.36 10.43 -0.52 -5.05 116.55 123.43 2i1u n ASP 57 Ca 0.04 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.27 2i1u n ASP 57 Cb 0.33 1.02 -0.11 0.00 1.84 0.00 0.00 41.12 44.21 2i1u n ASP 57 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2i1u s LEU 58 N -4.28 0.53 -0.08 0.64 2.96 -0.58 -4.26 118.68 113.61 2i1u s LEU 58 Ca -0.04 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.47 2i1u s LEU 58 Cb 0.04 1.10 -0.04 0.00 0.50 0.00 0.00 46.19 47.78 2i1u s LEU 58 CO 0.39 -0.14 0.19 -0.89 -1.32 0.00 0.00 176.35 174.58 2i1u s THR 59 N 0.61 5.42 -0.17 3.68 2.01 -0.63 -4.28 115.64 122.27 2i1u s THR 59 Ca -0.04 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2i1u s THR 59 Cb -0.05 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2i1u s THR 59 CO -0.04 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 2i1u s VAL 60 N -1.08 2.35 0.05 3.82 1.01 -1.26 -0.79 120.40 124.49 2i1u s VAL 60 Ca 0.18 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.38 2i1u s VAL 60 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2i1u s VAL 60 CO 0.07 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.49 2i1u s ALA 61 N 1.15 2.49 -0.13 5.51 0.00 0.01 -1.22 121.76 129.57 2i1u s ALA 61 Ca 0.01 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.75 2i1u s ALA 61 Cb -0.14 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 2i1u s ALA 61 CO -0.07 0.56 -0.17 0.15 0.00 0.00 0.00 175.76 176.22 2i1u s LYS 62 N -1.43 3.21 -0.28 0.00 1.02 0.05 -0.65 119.74 121.66 2i1u s LYS 62 Ca 0.14 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.38 2i1u s LYS 62 Cb -0.10 -2.53 0.07 0.00 -0.52 0.00 0.00 37.83 34.75 2i1u s LYS 62 CO 0.04 0.12 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.38 2i1u s LEU 63 N 0.54 3.62 -0.29 3.17 1.98 0.05 -1.41 118.68 126.34 2i1u s LEU 63 Ca -0.11 -1.59 -0.29 0.00 -2.89 0.00 0.00 54.13 49.25 2i1u s LEU 63 Cb -0.16 -1.47 -0.01 0.00 0.66 0.00 0.00 46.19 45.20 2i1u s LEU 63 CO 0.04 -0.26 1.49 -0.62 -1.89 0.00 0.00 176.35 175.11 2i1u s ASP 64 N 1.12 6.43 0.53 3.68 -1.08 -1.26 -1.95 116.67 124.14 2i1u s ASP 64 Ca -0.02 1.33 0.32 0.00 -0.52 0.00 0.00 52.55 53.66 2i1u s ASP 64 Cb -0.19 -2.54 1.35 0.00 -1.46 0.00 0.00 42.92 40.08 2i1u s ASP 64 CO -0.07 -1.27 1.98 -0.37 0.52 0.00 0.00 175.17 175.97 2i1u h VAL 65 N 6.19 0.17 0.03 1.11 -1.51 -1.54 -1.58 116.25 119.13 2i1u h VAL 65 Ca -0.30 -0.61 -0.25 0.00 -1.23 0.00 0.00 66.70 64.30 2i1u h VAL 65 Cb 1.13 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.78 2i1u h VAL 65 CO 1.03 0.06 -1.28 0.44 -1.23 0.00 0.00 177.57 176.58 2i1u h ASP 66 N 0.00 0.10 0.32 4.19 3.45 -1.90 -2.75 116.42 119.83 2i1u h ASP 66 Ca -0.00 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.33 2i1u h ASP 66 Cb 0.51 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 2i1u h ASP 66 CO 0.01 1.11 -0.64 0.35 -1.57 0.00 0.00 179.24 178.50 2i1u n THR 67 N -3.31 0.00 -2.89 0.35 -2.24 -1.15 -4.36 114.28 100.67 2i1u n THR 67 Ca -0.08 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2i1u n THR 67 Cb 0.99 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 2i1u n THR 67 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2i1u n ASN 68 N -1.43 2.39 0.25 3.42 3.02 -0.61 -4.87 115.26 117.44 2i1u n ASN 68 Ca 0.05 -3.19 0.14 0.00 -0.03 0.00 0.00 54.58 51.55 2i1u n ASN 68 Cb 0.34 -0.56 0.62 0.00 -0.61 0.00 0.00 39.78 39.56 2i1u n ASN 68 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2i1u h PRO 69 N 2.93 0.00 -0.22 3.52 0.13 -1.69 -3.09 132.00 133.59 2i1u h PRO 69 Ca 0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.15 2i1u h PRO 69 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2i1u h PRO 69 CO 0.62 0.12 -0.11 1.49 -0.23 0.00 0.00 178.00 179.90 2i1u h GLU 70 N 0.00 0.45 -0.71 0.86 4.57 -1.92 -1.42 114.58 116.42 2i1u h GLU 70 Ca -0.00 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2i1u h GLU 70 Cb 0.56 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2i1u h GLU 70 CO 0.02 0.74 0.27 1.15 -1.18 0.00 0.00 179.01 180.00 2i1u h THR 71 N 0.16 1.24 -0.70 0.32 2.02 -1.93 0.31 112.91 114.33 2i1u h THR 71 Ca 0.05 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.45 2i1u h THR 71 Cb 0.60 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2i1u h THR 71 CO 0.03 0.31 0.46 0.00 0.37 0.00 0.00 175.52 176.70 2i1u h ALA 72 N 1.26 0.90 -0.40 6.16 0.00 -1.45 -2.37 119.26 123.36 2i1u h ALA 72 Ca 0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2i1u h ALA 72 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2i1u h ALA 72 CO -0.02 0.30 -0.18 0.00 0.00 0.00 0.00 179.25 179.35 2i1u h ARG 73 N 0.94 0.75 0.00 0.00 3.08 -0.61 -0.86 114.38 117.68 2i1u h ARG 73 Ca 0.26 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2i1u h ARG 73 Cb -0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2i1u h ARG 73 CO -0.06 0.88 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.71 2i1u h ASN 74 N 0.67 0.00 -0.02 7.04 -0.26 -0.45 -2.22 115.58 120.34 2i1u h ASN 74 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 2i1u h ASN 74 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 2i1u h ASN 74 CO 0.05 0.09 0.00 0.49 -1.06 0.00 0.00 177.43 177.00 2i1u n PHE 75 N -3.42 0.06 -3.69 1.19 3.72 -1.01 -5.01 117.46 109.30 2i1u n PHE 75 Ca -0.01 -0.85 -0.22 0.00 -0.05 0.00 0.00 57.45 56.32 2i1u n PHE 75 Cb 0.25 -0.13 0.04 0.00 -0.94 0.00 0.00 39.48 38.70 2i1u n PHE 75 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2i1u n GLN 76 N -1.10 -5.16 -3.09 -1.08 3.00 -0.83 -4.92 117.38 104.20 2i1u n GLN 76 Ca 0.12 0.64 -0.42 0.00 -0.01 0.00 0.00 57.00 57.34 2i1u n GLN 76 Cb 0.55 -5.27 -0.06 0.00 0.00 0.00 0.00 30.24 25.45 2i1u n GLN 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2i1u s VAL 77 N -3.61 4.89 -0.15 5.09 1.01 -0.39 -4.88 120.40 122.36 2i1u s VAL 77 Ca 0.06 0.74 0.11 0.00 0.00 0.00 0.00 61.98 62.89 2i1u s VAL 77 Cb -0.03 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 2i1u s VAL 77 CO 0.80 -0.25 0.01 0.52 0.00 0.00 0.00 175.10 176.19 2i1u n VAL 78 N 5.52 0.99 -4.15 2.92 0.31 -1.26 -4.79 118.33 117.87 2i1u n VAL 78 Ca -0.01 -0.57 -0.09 0.00 -0.01 0.00 0.00 64.34 63.66 2i1u n VAL 78 Cb 0.49 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.61 2i1u n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2i1u s SER 79 N -4.91 0.77 0.07 4.52 1.04 -1.26 -5.17 113.70 108.76 2i1u s SER 79 Ca -0.10 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.29 2i1u s SER 79 Cb 0.05 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 2i1u s SER 79 CO 0.56 -0.57 -0.06 0.27 0.98 0.00 0.00 173.24 174.41 2i1u s ILE 80 N -3.81 0.57 0.35 -1.02 -0.00 -1.26 -3.98 121.20 112.05 2i1u s ILE 80 Ca 0.14 -1.67 -0.28 0.00 -0.00 0.00 0.00 60.65 58.84 2i1u s ILE 80 Cb 0.07 -1.34 -0.10 0.00 -0.00 0.00 0.00 42.46 41.08 2i1u s ILE 80 CO -0.04 -0.76 1.34 -2.16 -0.00 0.00 0.00 174.94 173.32 2i1u s PRO 81 N -3.20 4.27 -0.06 0.37 0.04 -1.26 -4.76 135.00 130.41 2i1u s PRO 81 Ca 0.05 2.27 0.05 0.00 0.04 0.00 0.00 61.00 63.42 2i1u s PRO 81 Cb 0.01 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 2i1u s PRO 81 CO -0.04 -0.28 -0.23 0.99 0.04 0.00 0.00 177.00 177.48 2i1u s THR 82 N -1.15 1.90 -0.12 1.26 2.01 -1.15 -1.78 115.64 116.61 2i1u s THR 82 Ca 0.50 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.54 2i1u s THR 82 Cb -0.41 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 2i1u s THR 82 CO 0.54 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 174.07 2i1u s LEU 83 N -0.07 2.49 -0.09 4.42 1.43 -0.09 -1.56 118.68 125.22 2i1u s LEU 83 Ca -0.05 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2i1u s LEU 83 Cb -0.14 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.55 2i1u s LEU 83 CO 0.04 0.16 -0.19 -0.63 0.23 0.00 0.00 176.35 175.96 2i1u s ILE 84 N 0.35 1.71 -0.20 -0.59 1.01 -0.49 -1.02 121.20 121.98 2i1u s ILE 84 Ca -0.14 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.54 2i1u s ILE 84 Cb -0.17 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2i1u s ILE 84 CO 0.07 0.48 0.44 -0.22 0.00 0.00 0.00 174.94 175.71 2i1u s LEU 85 N 0.55 4.16 -0.09 2.97 2.96 -0.36 -0.51 118.68 128.36 2i1u s LEU 85 Ca -0.15 0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 2i1u s LEU 85 Cb -0.17 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2i1u s LEU 85 CO 0.05 -0.11 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.61 2i1u s PHE 86 N 1.40 3.13 -0.04 5.38 0.40 0.56 -0.29 117.98 128.52 2i1u s PHE 86 Ca 0.21 0.16 -0.00 0.00 -0.60 0.00 0.00 56.93 56.69 2i1u s PHE 86 Cb -0.15 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2i1u s PHE 86 CO 0.09 0.43 0.01 0.15 0.70 0.00 0.00 175.22 176.59 2i1u s LYS 87 N -0.81 0.31 -1.42 0.44 3.01 -0.48 -1.43 119.74 119.36 2i1u s LYS 87 Ca 0.12 0.11 -0.10 0.00 -1.01 0.00 0.00 55.97 55.09 2i1u s LYS 87 Cb -0.11 -0.56 0.10 0.00 -1.01 0.00 0.00 37.83 36.24 2i1u s LYS 87 CO 0.02 -0.18 0.25 -0.40 0.51 0.00 0.00 175.35 175.55 2i1u n ASP 88 N 4.41 -0.37 0.00 2.83 5.68 -1.26 -1.86 116.55 125.98 2i1u n ASP 88 Ca -0.21 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2i1u n ASP 88 Cb 0.50 -1.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 2i1u n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i1u n GLY 89 N -1.63 0.37 3.36 6.12 0.00 -1.21 -5.02 105.19 107.18 2i1u n GLY 89 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2i1u n GLY 89 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2i1u s GLN 90 N -0.89 1.35 -0.03 1.61 0.00 -0.78 -4.92 119.66 115.99 2i1u s GLN 90 Ca 0.00 -1.41 -0.30 0.00 -0.00 0.00 0.00 55.36 53.65 2i1u s GLN 90 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 33.01 31.41 2i1u s GLN 90 CO 0.00 0.34 1.29 -1.25 0.00 0.00 0.00 175.29 175.67 2i1u s PRO 91 N -2.56 4.32 -0.00 9.60 0.05 -1.26 -1.38 135.00 143.76 2i1u s PRO 91 Ca 0.16 1.80 0.07 0.00 0.05 0.00 0.00 61.00 63.08 2i1u s PRO 91 Cb -0.07 -3.57 -0.08 0.00 0.05 0.00 0.00 34.50 30.82 2i1u s PRO 91 CO 0.07 -0.51 0.28 1.33 0.05 0.00 0.00 177.00 178.23 2i1u n VAL 92 N 4.66 0.00 -3.65 -0.36 0.24 0.60 -4.93 118.33 114.88 2i1u n VAL 92 Ca 0.12 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2i1u n VAL 92 Cb 0.45 0.93 -0.08 0.00 -1.47 0.00 0.00 33.84 33.68 2i1u n VAL 92 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2i1u s LYS 93 N -1.74 0.70 -0.10 7.34 2.47 -1.22 -5.00 119.74 122.19 2i1u s LYS 93 Ca 0.02 1.02 0.03 0.00 -1.56 0.00 0.00 55.97 55.48 2i1u s LYS 93 Cb 0.05 0.24 -0.00 0.00 -1.46 0.00 0.00 37.83 36.66 2i1u s LYS 93 CO 0.29 -0.12 -0.22 0.50 0.16 0.00 0.00 175.35 175.96 2i1u s ARG 94 N 0.96 3.05 -0.08 4.03 3.52 -1.26 -1.22 118.95 127.94 2i1u s ARG 94 Ca -0.05 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2i1u s ARG 94 Cb -0.05 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 2i1u s ARG 94 CO -0.09 0.22 -0.20 0.42 -0.81 0.00 0.00 175.30 174.85 2i1u s ILE 95 N 0.26 1.70 -0.15 4.11 1.01 -0.19 -4.99 121.20 122.95 2i1u s ILE 95 Ca -0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 2i1u s ILE 95 Cb -0.17 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2i1u s ILE 95 CO 0.08 0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 174.68 2i1u s VAL 96 N 0.44 2.97 0.00 2.92 1.01 -1.26 -0.91 120.40 125.57 2i1u s VAL 96 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2i1u s VAL 96 Cb -0.17 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2i1u s VAL 96 CO 0.07 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2i1u n GLY 97 N 3.93 2.70 3.77 4.51 0.00 -0.73 -5.02 105.19 114.35 2i1u n GLY 97 Ca -0.18 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2i1u n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i1u s ALA 98 N -2.49 3.14 0.01 4.61 0.00 -1.26 -4.89 121.76 120.88 2i1u s ALA 98 Ca 0.00 0.82 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 2i1u s ALA 98 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2i1u s ALA 98 CO 0.00 -0.33 0.04 0.15 0.00 0.00 0.00 175.76 175.62 2i1u s LYS 99 N -2.31 0.37 0.82 0.00 -0.14 -1.26 -5.05 119.74 112.17 2i1u s LYS 99 Ca 0.56 -0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 54.55 2i1u s LYS 99 Cb -0.26 0.14 0.08 0.00 -1.68 0.00 0.00 37.83 36.11 2i1u s LYS 99 CO 0.33 -0.07 1.09 0.20 -0.76 0.00 0.00 175.35 176.14 2i1u s GLY 100 N -1.39 1.65 0.12 -3.33 0.00 -1.26 -4.82 107.32 98.29 2i1u s GLY 100 Ca -0.15 0.13 -0.26 0.00 0.00 0.00 0.00 44.72 44.44 2i1u s GLY 100 CO 0.00 0.53 1.63 1.70 0.00 0.00 0.00 173.10 176.96 2i1u h LYS 101 N -1.29 -0.39 -0.37 2.90 3.64 -1.99 0.16 116.57 119.23 2i1u h LYS 101 Ca -0.46 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2i1u h LYS 101 Cb 1.25 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 2i1u h LYS 101 CO 0.53 -0.26 0.19 0.00 -2.27 0.00 0.00 179.45 177.64 2i1u h ALA 102 N 0.41 0.48 -0.87 5.00 0.00 -1.99 -1.57 119.26 120.71 2i1u h ALA 102 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2i1u h ALA 102 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2i1u h ALA 102 CO -0.23 0.02 0.49 0.00 0.00 0.00 0.00 179.25 179.52 2i1u h ALA 103 N 1.05 1.21 0.05 0.00 0.00 -1.91 -2.38 119.26 117.27 2i1u h ALA 103 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i1u h ALA 103 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2i1u h ALA 103 CO -0.02 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.10 2i1u h LEU 104 N 1.22 -0.05 -0.78 0.00 5.85 -0.49 -1.26 115.31 119.79 2i1u h LEU 104 Ca 0.31 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2i1u h LEU 104 Cb 0.01 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2i1u h LEU 104 CO -0.05 0.41 0.49 -0.07 -0.34 0.00 0.00 178.44 178.88 2i1u h LEU 105 N -0.54 0.79 -0.70 2.25 3.38 -1.20 -1.33 115.31 117.96 2i1u h LEU 105 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2i1u h LEU 105 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2i1u h LEU 105 CO 0.01 0.53 0.41 -0.09 0.09 0.00 0.00 178.44 179.39 2i1u h ARG 106 N 0.93 0.97 0.00 1.13 2.43 -1.32 -3.08 114.38 115.44 2i1u h ARG 106 Ca 0.32 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 2i1u h ARG 106 Cb 0.07 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2i1u h ARG 106 CO -0.13 0.70 -0.43 1.49 -1.51 0.00 0.00 179.97 180.09 2i1u h GLU 107 N 0.96 0.00 0.00 0.20 4.81 -0.65 -2.24 114.58 117.66 2i1u h GLU 107 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2i1u h GLU 107 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2i1u h GLU 107 CO -0.04 0.43 0.00 -0.07 -0.73 0.00 0.00 179.01 178.60 2i1u h LEU 108 N 0.00 0.00-10.04 1.64 3.38 -1.17 -3.45 115.31 105.67 2i1u h LEU 108 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2i1u h LEU 108 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2i1u h LEU 108 CO 0.06 0.00 0.25 -0.55 0.09 0.00 0.00 178.44 178.29 2i1u s SER 109 N -5.11 6.89 0.00 -0.43 0.15 -0.84 -4.97 113.70 109.39 2i1u s SER 109 Ca -0.00 1.54 0.29 0.00 0.70 0.00 0.00 55.95 58.48 2i1u s SER 109 Cb 0.10 -2.48 1.22 0.00 -1.71 0.00 0.00 66.02 63.15 2i1u s SER 109 CO 0.44 -0.29 1.86 0.47 1.20 0.00 0.00 173.24 176.92 2i1u n ASP 110 N -0.50 0.45 -4.64 5.45 8.00 -1.26 -4.93 116.55 119.12 2i1u n ASP 110 Ca 0.06 -0.55 -0.24 0.00 0.71 0.00 0.00 54.79 54.77 2i1u n ASP 110 Cb 0.54 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 2i1u n ASP 110 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2i1u s VAL 111 N -2.49 2.85 0.20 2.53 -7.23 -1.26 -5.15 120.40 109.85 2i1u s VAL 111 Ca 0.28 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 2i1u s VAL 111 Cb 0.20 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2i1u s VAL 111 CO 0.48 -0.24 -0.18 0.68 -0.31 0.00 0.00 175.10 175.53 2i1u s VAL 112 N -2.46 1.94 0.37 1.32 -7.23 -1.26 -5.04 120.40 108.04 2i1u s VAL 112 Ca 0.34 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 2i1u s VAL 112 Cb -0.02 -2.02 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 2i1u s VAL 112 CO 0.20 -0.42 0.91 -2.16 -0.31 0.00 0.00 175.10 173.32 2i1u s PRO 113 N -3.23 4.31 0.00 4.82 0.04 -1.26 -5.26 135.00 134.42 2i1u s PRO 113 Ca 0.21 1.11 0.19 0.00 0.04 0.00 0.00 61.00 62.55 2i1u s PRO 113 Cb -0.04 -2.43 0.15 0.00 0.04 0.00 0.00 34.50 32.22 2i1u s PRO 113 CO 0.08 0.11 1.09 0.27 0.04 0.00 0.00 177.00 178.59