#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ibk s ILE 2 N 0.00 2.56 -0.17 1.12 1.01 -1.26 -4.38 121.20 120.09 2ibk s ILE 2 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 2ibk s ILE 2 Cb 0.00 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2ibk s ILE 2 CO 0.00 0.38 -0.02 -0.69 0.00 0.00 0.00 174.94 174.61 2ibk s VAL 3 N 1.32 4.00 -0.25 2.92 1.01 -0.21 -0.96 120.40 128.23 2ibk s VAL 3 Ca 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2ibk s VAL 3 Cb -0.15 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2ibk s VAL 3 CO -0.08 0.48 -0.03 -0.22 0.00 0.00 0.00 175.10 175.25 2ibk s LEU 4 N 0.47 3.22 -0.20 3.92 0.20 0.96 -2.07 118.68 125.18 2ibk s LEU 4 Ca -0.02 -0.70 -0.06 0.00 0.69 0.00 0.00 54.13 54.04 2ibk s LEU 4 Cb -0.14 -1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2ibk s LEU 4 CO 0.02 -0.11 0.03 0.12 -0.29 0.00 0.00 176.35 176.12 2ibk s PHE 5 N 1.40 3.10 -0.16 5.38 5.36 0.12 0.88 117.98 134.08 2ibk s PHE 5 Ca 0.02 -0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 55.70 2ibk s PHE 5 Cb -0.16 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2ibk s PHE 5 CO -0.03 -0.12 -0.07 0.08 -1.46 0.00 0.00 175.22 173.63 2ibk s VAL 6 N 0.84 3.54 -0.21 3.12 1.01 0.82 -0.13 120.40 129.39 2ibk s VAL 6 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2ibk s VAL 6 Cb -0.14 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.75 2ibk s VAL 6 CO 0.02 0.49 -0.05 -0.62 0.00 0.00 0.00 175.10 174.94 2ibk s ASP 7 N 0.54 3.45 0.05 3.32 -1.08 -0.39 -1.18 116.67 121.38 2ibk s ASP 7 Ca -0.05 -0.98 -0.31 0.00 -0.52 0.00 0.00 52.55 50.70 2ibk s ASP 7 Cb -0.15 -1.06 -0.07 0.00 -1.46 0.00 0.00 42.92 40.18 2ibk s ASP 7 CO 0.03 -0.22 1.44 -0.36 0.52 0.00 0.00 175.17 176.58 2ibk s PHE 8 N 1.50 2.91 0.28 -5.34 0.08 -0.23 -0.98 117.98 116.20 2ibk s PHE 8 Ca -0.03 0.78 -0.29 0.00 0.12 0.00 0.00 56.93 57.50 2ibk s PHE 8 Cb -0.17 -3.72 -0.10 0.00 -0.57 0.00 0.00 43.02 38.45 2ibk s PHE 8 CO -0.07 -2.68 1.36 -0.51 -0.10 0.00 0.00 175.22 173.21 2ibk s ASP 9 N 1.70 6.75 -0.10 1.36 1.01 -1.00 -3.67 116.67 122.72 2ibk s ASP 9 Ca 0.66 2.63 -0.01 0.00 0.71 0.00 0.00 52.55 56.53 2ibk s ASP 9 Cb -0.35 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.95 2ibk s ASP 9 CO 0.29 -0.59 0.02 0.00 0.21 0.00 0.00 175.17 175.10 2ibk n TYR 10 N 1.71 -0.09 -0.38 4.23 0.18 -1.26 -4.60 117.16 116.95 2ibk n TYR 10 Ca 0.04 0.03 -0.11 0.00 1.88 0.00 0.00 57.90 59.73 2ibk n TYR 10 Cb 0.41 -0.20 -0.09 0.00 -0.38 0.00 0.00 39.34 39.08 2ibk n TYR 10 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 2ibk h PHE 11 N 1.69 -1.82 -0.78 -3.48 3.57 -1.95 0.13 116.94 114.29 2ibk h PHE 11 Ca -0.05 0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2ibk h PHE 11 Cb 0.10 0.92 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2ibk h PHE 11 CO 0.03 -0.39 0.46 1.88 -2.23 0.00 0.00 178.31 178.07 2ibk h TYR 12 N -0.05 1.04 -0.45 0.41 0.05 -1.94 -0.12 116.97 115.91 2ibk h TYR 12 Ca 0.16 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 2ibk h TYR 12 Cb 0.45 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 2ibk h TYR 12 CO -0.98 0.70 0.01 0.00 -1.05 0.00 0.00 178.16 176.84 2ibk h ALA 13 N 1.25 0.60 -0.72 3.88 0.00 -1.75 -2.29 119.26 120.22 2ibk h ALA 13 Ca 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ibk h ALA 13 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2ibk h ALA 13 CO -0.05 0.38 0.42 0.37 0.00 0.00 0.00 179.25 180.37 2ibk h GLN 14 N 0.63 1.00 -0.45 0.00 4.15 -0.32 -2.21 115.11 117.90 2ibk h GLN 14 Ca 0.13 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 2ibk h GLN 14 Cb 0.48 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2ibk h GLN 14 CO 0.02 0.72 0.09 0.28 -1.93 0.00 0.00 178.83 178.01 2ibk h VAL 15 N 0.99 1.21 0.00 2.39 2.07 -0.82 -0.92 116.25 121.17 2ibk h VAL 15 Ca 0.26 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 2ibk h VAL 15 Cb 0.00 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2ibk h VAL 15 CO -0.05 0.28 -0.39 -0.33 0.02 0.00 0.00 177.57 177.10 2ibk h GLU 16 N 0.67 0.00 -0.10 1.57 4.39 -1.03 -1.24 114.58 118.84 2ibk h GLU 16 Ca 0.15 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.65 2ibk h GLU 16 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2ibk h GLU 16 CO 0.00 0.39 -0.75 0.93 -1.16 0.00 0.00 179.01 178.42 2ibk h GLU 17 N 0.00 0.52 -0.53 2.33 5.08 -0.69 -1.15 114.58 120.13 2ibk h GLU 17 Ca -0.00 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 2ibk h GLU 17 Cb 0.72 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2ibk h GLU 17 CO 0.05 1.06 -0.08 0.28 -1.00 0.00 0.00 179.01 179.32 2ibk h VAL 18 N 0.35 1.27 0.00 3.13 2.07 -0.75 0.10 116.25 122.42 2ibk h VAL 18 Ca -0.04 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2ibk h VAL 18 Cb 1.34 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2ibk h VAL 18 CO 0.14 0.43 0.00 -0.07 0.02 0.00 0.00 177.57 178.09 2ibk h LEU 19 N 0.87 0.00 -5.96 2.57 4.07 -1.19 -3.36 115.31 112.31 2ibk h LEU 19 Ca 0.14 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.71 2ibk h LEU 19 Cb 0.64 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.09 2ibk h LEU 19 CO 0.04 0.00 -0.75 0.21 -1.08 0.00 0.00 178.44 176.87 2ibk s ASN 20 N -5.18 0.48 0.45 -0.43 3.84 -0.44 -5.02 114.94 108.65 2ibk s ASN 20 Ca 0.07 -2.23 0.28 0.00 0.21 0.00 0.00 52.86 51.19 2ibk s ASN 20 Cb 0.09 0.56 1.52 0.00 -0.55 0.00 0.00 41.25 42.86 2ibk s ASN 20 CO 0.58 -0.16 1.84 -0.65 -2.79 0.00 0.00 177.10 175.92 2ibk h PRO 21 N 5.88 0.00 0.00 0.43 0.11 -0.97 -2.32 132.00 135.14 2ibk h PRO 21 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2ibk h PRO 21 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2ibk h PRO 21 CO 0.21 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.87 2ibk n SER 22 N -2.52 0.10 0.21 -2.05 3.41 -1.26 -2.17 113.62 109.34 2ibk n SER 22 Ca -0.02 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 2ibk n SER 22 Cb 0.12 -0.55 0.17 0.00 -0.26 0.00 0.00 64.21 63.69 2ibk n SER 22 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ibk h LEU 23 N 0.00 0.00 -9.48 1.04 3.38 -1.71 -3.45 115.31 105.09 2ibk h LEU 23 Ca 0.00 -0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2ibk h LEU 23 Cb 0.27 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.08 2ibk h LEU 23 CO 0.00 0.00 0.71 0.29 0.09 0.00 0.00 178.44 179.53 2ibk n LYS 24 N -3.04 1.96 0.00 1.13 5.02 -0.92 -0.73 118.16 121.58 2ibk n LYS 24 Ca 0.04 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2ibk n LYS 24 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 2ibk n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ibk n GLY 25 N 3.11 3.33 3.92 0.72 0.00 -1.26 -5.04 105.19 109.97 2ibk n GLY 25 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2ibk n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ibk s LYS 26 N -0.68 3.57 -0.13 1.61 1.02 0.09 -4.97 119.74 120.25 2ibk s LYS 26 Ca 0.00 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 2ibk s LYS 26 Cb 0.00 -2.66 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2ibk s LYS 26 CO 0.00 0.19 1.18 -1.25 -0.92 0.00 0.00 175.35 174.55 2ibk s PRO 27 N -3.82 4.30 -0.13 -1.68 0.04 -1.26 -4.72 135.00 127.72 2ibk s PRO 27 Ca 0.42 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2ibk s PRO 27 Cb -0.10 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2ibk s PRO 27 CO 0.32 -0.56 -0.20 0.08 0.04 0.00 0.00 177.00 176.69 2ibk s VAL 28 N 2.83 2.33 -0.22 -0.36 1.01 -1.26 -1.23 120.40 123.49 2ibk s VAL 28 Ca 0.53 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2ibk s VAL 28 Cb -0.22 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.27 2ibk s VAL 28 CO 0.16 0.54 -0.12 -0.69 0.00 0.00 0.00 175.10 175.00 2ibk s VAL 29 N 0.63 1.90 -0.27 2.92 1.01 0.10 -1.33 120.40 125.35 2ibk s VAL 29 Ca -0.10 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.43 2ibk s VAL 29 Cb -0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2ibk s VAL 29 CO 0.03 0.12 0.50 -0.69 0.00 0.00 0.00 175.10 175.05 2ibk s VAL 30 N 1.26 5.07 0.26 2.92 1.01 0.57 -0.57 120.40 130.92 2ibk s VAL 30 Ca -0.04 0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.82 2ibk s VAL 30 Cb -0.17 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2ibk s VAL 30 CO -0.07 0.06 -0.16 0.00 0.00 0.00 0.00 175.10 174.93 2ibk s VAL 32 N -2.73 3.43 -0.29 0.00 1.01 0.13 0.16 120.40 122.11 2ibk s VAL 32 Ca 0.27 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.59 2ibk s VAL 32 Cb -0.02 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 2ibk s VAL 32 CO 0.12 -0.28 0.76 -0.36 0.00 0.00 0.00 175.10 175.34 2ibk s PHE 33 N 1.30 3.23 0.02 5.22 0.08 -1.26 -1.04 117.98 125.52 2ibk s PHE 33 Ca -0.01 0.84 0.19 0.00 0.12 0.00 0.00 56.93 58.07 2ibk s PHE 33 Cb -0.21 -3.13 0.50 0.00 -0.57 0.00 0.00 43.02 39.62 2ibk s PHE 33 CO -0.00 -0.50 1.65 0.66 -0.10 0.00 0.00 175.22 176.92 2ibk h SER 34 N 8.03 0.00 0.00 1.36 4.64 -1.55 -3.48 113.55 122.55 2ibk h SER 34 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2ibk h SER 34 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2ibk h SER 34 CO 0.86 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.80 2ibk n GLY 35 N 0.61 3.13 0.37 -0.77 0.00 -1.26 -4.78 105.19 102.49 2ibk n GLY 35 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2ibk n GLY 35 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ibk h ARG 36 N 1.34 -0.27 -4.16 1.61 9.65 -1.90 -3.46 114.38 117.19 2ibk h ARG 36 Ca 0.00 0.02 -0.31 0.00 -1.10 0.00 0.00 59.98 58.59 2ibk h ARG 36 Cb 0.00 0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.57 2ibk h ARG 36 CO 0.00 -0.18 -0.18 -0.59 2.80 0.00 0.00 179.97 181.82 2ibk s PHE 37 N -5.91 1.15 -0.01 2.20 -0.12 -1.26 -5.05 117.98 108.98 2ibk s PHE 37 Ca -0.15 -1.36 -0.33 0.00 -0.05 0.00 0.00 56.93 55.04 2ibk s PHE 37 Cb 0.13 -0.10 -0.11 0.00 -0.63 0.00 0.00 43.02 42.31 2ibk s PHE 37 CO 0.67 -1.18 1.87 -1.91 -0.05 0.00 0.00 175.22 174.62 2ibk n GLU 38 N -0.61 2.41 -1.64 1.99 4.07 -1.26 -1.88 120.64 123.73 2ibk n GLU 38 Ca 0.01 0.88 -0.19 0.00 -0.06 0.00 0.00 57.16 57.80 2ibk n GLU 38 Cb 0.61 -2.76 -0.07 0.00 -0.06 0.00 0.00 31.44 29.16 2ibk n GLU 38 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2ibk n ASP 39 N 6.45 -5.33 -4.79 4.31 8.00 -1.26 -4.95 116.55 118.98 2ibk n ASP 39 Ca 0.21 0.42 -0.36 0.00 0.71 0.00 0.00 54.79 55.77 2ibk n ASP 39 Cb 0.33 -4.50 -0.04 0.00 -0.02 0.00 0.00 41.12 36.89 2ibk n ASP 39 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ibk s SER 40 N -2.73 6.64 0.00 -2.24 1.04 -0.79 -3.49 113.70 112.14 2ibk s SER 40 Ca 0.00 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2ibk s SER 40 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2ibk s SER 40 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 2ibk n GLY 41 N 0.17 0.81 3.15 7.32 0.00 -1.26 -1.29 105.19 114.09 2ibk n GLY 41 Ca 0.06 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 2ibk n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ibk s ALA 42 N -1.17 0.07 -0.11 4.61 0.00 -0.21 -3.50 121.76 121.45 2ibk s ALA 42 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.85 2ibk s ALA 42 Cb 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 2ibk s ALA 42 CO 0.00 -0.43 0.91 0.08 0.00 0.00 0.00 175.76 176.31 2ibk s VAL 43 N -3.71 4.86 -0.11 0.00 1.01 0.07 0.19 120.40 122.70 2ibk s VAL 43 Ca 0.04 1.83 -0.23 0.00 0.00 0.00 0.00 61.98 63.63 2ibk s VAL 43 Cb 0.05 -4.22 -0.27 0.00 0.00 0.00 0.00 36.38 31.94 2ibk s VAL 43 CO -0.10 0.06 0.70 0.00 0.00 0.00 0.00 175.10 175.77 2ibk h ALA 44 N 7.09 0.04 -2.13 5.51 0.00 -0.25 0.32 119.26 129.84 2ibk h ALA 44 Ca -0.33 -0.78 0.03 0.00 0.00 0.00 0.00 54.91 53.83 2ibk h ALA 44 Cb 1.16 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 19.00 2ibk h ALA 44 CO 0.82 0.40 0.38 -0.08 0.00 0.00 0.00 179.25 180.77 2ibk s THR 45 N -2.37 0.00 0.04 0.00 -1.32 -0.84 -4.51 115.64 106.64 2ibk s THR 45 Ca -0.18 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 2ibk s THR 45 Cb 0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2ibk s THR 45 CO 0.75 0.00 -0.12 0.00 -2.21 0.00 0.00 174.62 173.03 2ibk s ALA 46 N -2.16 1.02 1.02 11.08 0.00 -1.26 -0.32 121.76 131.14 2ibk s ALA 46 Ca -0.02 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 2ibk s ALA 46 Cb -0.01 -0.13 0.20 0.00 0.00 0.00 0.00 23.12 23.18 2ibk s ALA 46 CO -0.02 0.17 1.14 0.54 0.00 0.00 0.00 175.76 177.59 2ibk s ASN 47 N -1.20 2.51 0.49 0.00 2.20 -0.45 -4.68 114.94 113.82 2ibk s ASN 47 Ca -0.01 0.86 0.19 0.00 -0.94 0.00 0.00 52.86 52.96 2ibk s ASN 47 Cb -0.08 -1.31 1.23 0.00 -2.00 0.00 0.00 41.25 39.09 2ibk s ASN 47 CO 0.01 -3.16 2.07 1.88 -2.94 0.00 0.00 177.10 174.96 2ibk h TYR 48 N -1.92 0.00 -0.11 1.54 -1.99 -1.94 -0.60 116.97 111.95 2ibk h TYR 48 Ca -0.50 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.23 2ibk h TYR 48 Cb 1.31 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.04 2ibk h TYR 48 CO -0.50 0.11 0.04 1.49 -0.00 0.00 0.00 178.16 179.30 2ibk h GLU 49 N 0.00 0.15 0.03 4.88 4.57 -1.91 -0.80 114.58 121.49 2ibk h GLU 49 Ca -0.00 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.85 2ibk h GLU 49 Cb 0.21 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 2ibk h GLU 49 CO 0.01 0.13 -1.89 0.00 -1.18 0.00 0.00 179.01 176.08 2ibk n ALA 50 N -2.52 1.37 0.14 2.92 0.00 -0.65 -4.16 120.51 117.61 2ibk n ALA 50 Ca -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 52.63 2ibk n ALA 50 Cb 0.11 -0.69 0.39 0.00 0.00 0.00 0.00 19.45 19.26 2ibk n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ibk h ARG 51 N 0.02 0.19 -0.94 0.00 3.08 -0.62 -2.65 114.38 113.45 2ibk h ARG 51 Ca -0.36 -0.05 0.15 0.00 0.07 0.00 0.00 59.98 59.79 2ibk h ARG 51 Cb 2.05 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.98 2ibk h ARG 51 CO 0.07 0.37 0.55 0.87 -1.07 0.00 0.00 179.97 180.75 2ibk h LYS 52 N 0.18 0.75 -0.67 0.04 1.57 -1.32 -0.74 116.57 116.38 2ibk h LYS 52 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ibk h LYS 52 Cb 0.41 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2ibk h LYS 52 CO 0.03 0.50 0.00 1.19 -0.57 0.00 0.00 179.45 180.59 2ibk n PHE 53 N -4.77 0.78 -0.62 -1.35 3.72 -1.02 -4.91 117.46 109.30 2ibk n PHE 53 Ca 0.19 -0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2ibk n PHE 53 Cb 0.45 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2ibk n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ibk n GLY 54 N 0.50 0.78 3.57 1.37 0.00 -0.28 -5.00 105.19 106.13 2ibk n GLY 54 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2ibk n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ibk s VAL 55 N -2.94 4.66 0.21 1.61 1.01 -1.08 -5.01 120.40 118.86 2ibk s VAL 55 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 2ibk s VAL 55 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2ibk s VAL 55 CO 0.00 -0.57 0.15 -1.59 0.00 0.00 0.00 175.10 173.09 2ibk s LYS 56 N 3.28 1.25 0.30 2.72 -2.85 -1.26 -3.25 119.74 119.94 2ibk s LYS 56 Ca 0.33 -1.64 -0.29 0.00 -1.00 0.00 0.00 55.97 53.37 2ibk s LYS 56 Cb -0.12 0.28 -0.13 0.00 -2.06 0.00 0.00 37.83 35.80 2ibk s LYS 56 CO 0.20 -0.42 1.34 0.00 0.10 0.00 0.00 175.35 176.57 2ibk n ALA 57 N -0.30 1.25 0.00 0.59 0.00 -1.26 -3.03 120.51 117.77 2ibk n ALA 57 Ca 0.02 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2ibk n ALA 57 Cb 0.66 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2ibk n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ibk n GLY 58 N 1.35 2.57 3.88 0.00 0.00 0.11 -4.97 105.19 108.14 2ibk n GLY 58 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2ibk n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ibk s ILE 59 N -2.23 4.76 0.53 -0.61 -4.36 -1.17 -4.67 121.20 113.45 2ibk s ILE 59 Ca 0.00 0.65 -0.22 0.00 -0.26 0.00 0.00 60.65 60.82 2ibk s ILE 59 Cb 0.00 -3.79 -0.05 0.00 1.25 0.00 0.00 42.46 39.87 2ibk s ILE 59 CO 0.00 -0.74 1.33 -2.84 0.24 0.00 0.00 174.94 172.93 2ibk s PRO 60 N -4.33 3.28 0.42 0.37 0.02 -1.26 -0.76 135.00 132.73 2ibk s PRO 60 Ca 0.52 2.17 0.12 0.00 0.02 0.00 0.00 61.00 63.83 2ibk s PRO 60 Cb -0.10 -2.31 0.88 0.00 0.02 0.00 0.00 34.50 33.00 2ibk s PRO 60 CO 0.39 -1.06 1.95 0.82 -0.33 0.00 0.00 177.00 178.76 2ibk h ILE 61 N 1.57 1.16 -0.41 2.83 2.04 -1.72 -1.80 117.51 121.17 2ibk h ILE 61 Ca -0.51 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 2ibk h ILE 61 Cb 1.29 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2ibk h ILE 61 CO 0.58 0.22 -0.08 0.58 0.00 0.00 0.00 178.15 179.45 2ibk h VAL 62 N 0.11 1.27 -0.48 1.67 2.07 -1.88 0.52 116.25 119.53 2ibk h VAL 62 Ca 0.02 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 2ibk h VAL 62 Cb 0.36 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2ibk h VAL 62 CO 0.02 0.39 0.12 -0.08 0.02 0.00 0.00 177.57 178.04 2ibk h GLU 63 N 0.60 0.71 -0.06 1.57 4.81 -1.82 -2.26 114.58 118.13 2ibk h GLU 63 Ca 0.11 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2ibk h GLU 63 Cb 0.60 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2ibk h GLU 63 CO 0.04 0.65 -0.84 0.00 -0.73 0.00 0.00 179.01 178.13 2ibk h ALA 64 N 1.44 0.42 0.00 2.92 0.00 -0.96 -3.07 119.26 120.00 2ibk h ALA 64 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ibk h ALA 64 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ibk h ALA 64 CO -0.00 0.75 0.00 1.63 0.00 0.00 0.00 179.25 181.63 2ibk n LYS 65 N -3.83 0.23 0.13 0.00 5.02 0.14 -0.88 118.16 118.96 2ibk n LYS 65 Ca -0.06 0.33 0.04 0.00 -2.02 0.00 0.00 58.31 56.60 2ibk n LYS 65 Cb 0.77 -1.84 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 2ibk n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2ibk h LYS 66 N 0.00 0.00 0.00 1.97 1.57 -1.32 -2.62 116.57 116.16 2ibk h LYS 66 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2ibk h LYS 66 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2ibk h LYS 66 CO 0.00 0.34 -0.72 0.82 -0.57 0.00 0.00 179.45 179.32 2ibk h ILE 67 N 0.00 0.72 -2.86 1.86 2.04 -1.39 -3.43 117.51 114.46 2ibk h ILE 67 Ca -0.03 -1.77 -0.61 0.00 1.00 0.00 0.00 64.86 63.44 2ibk h ILE 67 Cb 1.33 1.60 -0.42 0.00 -0.74 0.00 0.00 36.82 38.59 2ibk h ILE 67 CO 0.05 0.25 -0.61 0.18 0.00 0.00 0.00 178.15 178.01 2ibk n LEU 68 N -4.55 2.86 0.27 1.44 4.77 -0.06 -4.93 117.00 116.79 2ibk n LEU 68 Ca -0.19 -5.19 0.10 0.00 -0.03 0.00 0.00 56.01 50.71 2ibk n LEU 68 Cb 0.47 -0.63 0.72 0.00 -2.33 0.00 0.00 43.42 41.65 2ibk n LEU 68 CO 0.17 1.82 1.04 1.55 -1.33 0.00 0.00 177.39 180.64 2ibk h PRO 69 N 5.17 0.00 -0.01 3.23 0.13 -1.70 -2.42 132.00 136.40 2ibk h PRO 69 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ibk h PRO 69 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ibk h PRO 69 CO 0.71 0.05 -0.17 0.09 -0.23 0.00 0.00 178.00 178.45 2ibk n ASN 70 N -4.14 1.41 -4.69 1.44 3.02 -1.26 -4.94 115.26 106.11 2ibk n ASN 70 Ca -0.03 -1.23 -0.31 0.00 -0.03 0.00 0.00 54.58 52.99 2ibk n ASN 70 Cb 0.14 0.11 0.15 0.00 -0.61 0.00 0.00 39.78 39.57 2ibk n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ibk s ALA 71 N -2.30 1.52 -0.20 5.41 0.00 -0.91 -4.95 121.76 120.33 2ibk s ALA 71 Ca 0.29 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 2ibk s ALA 71 Cb 0.20 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2ibk s ALA 71 CO 0.45 -2.51 0.66 0.08 0.00 0.00 0.00 175.76 174.43 2ibk s VAL 72 N -2.75 5.00 -0.30 0.00 1.01 -0.37 -4.97 120.40 118.02 2ibk s VAL 72 Ca 0.65 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.81 2ibk s VAL 72 Cb -0.21 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2ibk s VAL 72 CO 0.58 0.09 0.07 -0.31 0.00 0.00 0.00 175.10 175.53 2ibk s TYR 73 N 1.99 3.16 -0.06 5.22 2.02 -1.26 0.02 117.35 128.44 2ibk s TYR 73 Ca 0.30 -1.10 0.03 0.00 -0.37 0.00 0.00 57.07 55.92 2ibk s TYR 73 Cb -0.16 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 39.14 2ibk s TYR 73 CO 0.10 -0.62 -0.13 -0.51 -1.57 0.00 0.00 175.55 172.82 2ibk s LEU 74 N 1.47 2.77 0.32 -1.29 1.43 0.27 -4.99 118.68 118.66 2ibk s LEU 74 Ca 0.02 -0.20 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 2ibk s LEU 74 Cb -0.18 -1.57 -0.10 0.00 0.03 0.00 0.00 46.19 44.37 2ibk s LEU 74 CO 0.02 0.32 1.17 -2.16 0.23 0.00 0.00 176.35 175.94 2ibk s PRO 75 N -0.59 4.43 0.20 1.29 0.04 -1.26 -0.60 135.00 138.51 2ibk s PRO 75 Ca 0.09 1.93 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 2ibk s PRO 75 Cb -0.11 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.27 2ibk s PRO 75 CO 0.01 -0.02 1.72 1.41 0.04 0.00 0.00 177.00 180.16 2ibk s MET 76 N -1.74 4.13 -0.71 4.56 1.75 0.12 -4.77 119.30 122.64 2ibk s MET 76 Ca 0.49 2.60 0.04 0.00 -1.25 0.00 0.00 55.69 57.56 2ibk s MET 76 Cb -0.34 -3.09 0.28 0.00 2.84 0.00 0.00 34.83 34.52 2ibk s MET 76 CO 0.44 -0.75 0.95 0.54 -0.65 0.00 0.00 175.02 175.54 2ibk n ARG 77 N 4.03 3.09 -0.28 4.11 1.74 -1.26 -4.95 116.66 123.15 2ibk n ARG 77 Ca 0.16 -4.70 0.07 0.00 -0.77 0.00 0.00 57.85 52.61 2ibk n ARG 77 Cb 0.35 -2.30 0.19 0.00 -1.02 0.00 0.00 32.46 29.68 2ibk n ARG 77 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2ibk h LYS 78 N 4.14 0.08 -0.77 5.56 1.63 -1.99 -1.30 116.57 123.91 2ibk h LYS 78 Ca 0.20 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.08 2ibk h LYS 78 Cb 0.61 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.15 2ibk h LYS 78 CO 0.93 0.05 0.44 0.93 -3.45 0.00 0.00 179.45 178.35 2ibk h GLU 79 N 0.08 0.75 0.14 1.90 3.07 -1.99 0.21 114.58 118.74 2ibk h GLU 79 Ca 0.46 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.27 2ibk h GLU 79 Cb 0.84 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2ibk h GLU 79 CO -0.74 0.50 -0.07 0.28 -1.40 0.00 0.00 179.01 177.58 2ibk h VAL 80 N 0.77 0.94 -0.81 3.13 2.07 -1.68 -2.41 116.25 118.26 2ibk h VAL 80 Ca 0.36 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2ibk h VAL 80 Cb 0.28 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2ibk h VAL 80 CO -0.22 0.07 0.53 1.88 0.02 0.00 0.00 177.57 179.86 2ibk h TYR 81 N -0.32 0.98 -0.70 1.57 0.05 -1.03 -1.84 116.97 115.67 2ibk h TYR 81 Ca -0.02 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2ibk h TYR 81 Cb 0.26 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 2ibk h TYR 81 CO -0.03 0.59 0.26 0.37 -1.05 0.00 0.00 178.16 178.30 2ibk h GLN 82 N 1.03 1.05 -0.23 4.88 5.75 -0.46 0.39 115.11 127.52 2ibk h GLN 82 Ca 0.31 -0.19 -0.13 0.00 -0.15 0.00 0.00 58.65 58.49 2ibk h GLN 82 Cb -0.01 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.37 2ibk h GLN 82 CO -0.09 0.87 -0.36 1.96 -2.65 0.00 0.00 178.83 178.56 2ibk h GLN 83 N 1.02 0.65 -0.77 1.69 4.20 -0.87 0.57 115.11 121.60 2ibk h GLN 83 Ca 0.23 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2ibk h GLN 83 Cb 0.23 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2ibk h GLN 83 CO -0.02 1.01 0.30 0.28 -0.67 0.00 0.00 178.83 179.73 2ibk h VAL 84 N 0.36 1.26 0.18 -0.54 2.07 -1.21 -2.05 116.25 116.31 2ibk h VAL 84 Ca 0.02 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2ibk h VAL 84 Cb 0.95 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2ibk h VAL 84 CO 0.08 0.33 -0.09 -1.28 0.02 0.00 0.00 177.57 176.64 2ibk h SER 85 N 1.12 -0.21 -0.84 0.57 0.87 -0.74 -1.85 113.55 112.46 2ibk h SER 85 Ca 0.26 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.93 2ibk h SER 85 Cb 0.22 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.15 2ibk h SER 85 CO -0.02 -0.12 0.45 0.28 -0.53 0.00 0.00 176.83 176.89 2ibk h SER 86 N -0.28 0.58 -0.79 6.23 0.02 -0.64 0.34 113.55 119.00 2ibk h SER 86 Ca -0.03 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2ibk h SER 86 Cb 0.21 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 2ibk h SER 86 CO 0.04 0.27 0.33 0.03 -1.14 0.00 0.00 176.83 176.36 2ibk h ARG 87 N 0.67 1.18 -0.21 3.45 3.08 -1.09 0.12 114.38 121.58 2ibk h ARG 87 Ca 0.45 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 60.13 2ibk h ARG 87 Cb 0.57 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 2ibk h ARG 87 CO -0.33 0.94 -0.52 0.82 -1.07 0.00 0.00 179.97 179.82 2ibk h ILE 88 N 1.14 1.31 -0.55 2.04 2.04 -0.27 -1.98 117.51 121.25 2ibk h ILE 88 Ca 0.27 -1.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.33 2ibk h ILE 88 Cb 0.20 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2ibk h ILE 88 CO -0.02 0.55 0.13 0.24 0.00 0.00 0.00 178.15 179.04 2ibk h MET 89 N 0.46 0.84 -0.47 2.37 2.86 0.05 -1.48 114.93 119.56 2ibk h MET 89 Ca 0.02 -0.17 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2ibk h MET 89 Cb 1.06 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2ibk h MET 89 CO 0.10 0.76 0.00 -0.91 1.06 0.00 0.00 176.91 177.92 2ibk h ASN 90 N 0.81 0.73 -0.31 1.22 2.35 -0.65 -1.62 115.58 118.11 2ibk h ASN 90 Ca 0.18 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2ibk h ASN 90 Cb 0.30 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2ibk h ASN 90 CO -0.00 0.80 0.06 -0.07 -1.65 0.00 0.00 177.43 176.57 2ibk h LEU 91 N 0.72 0.55 -0.82 1.61 3.38 -0.55 -2.47 115.31 117.73 2ibk h LEU 91 Ca 0.14 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2ibk h LEU 91 Cb 0.44 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2ibk h LEU 91 CO 0.02 0.58 -0.37 -0.07 0.09 0.00 0.00 178.44 178.69 2ibk h LEU 92 N 0.58 0.46 -1.05 1.67 3.38 -0.42 -2.66 115.31 117.26 2ibk h LEU 92 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ibk h LEU 92 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2ibk h LEU 92 CO 0.00 0.79 0.00 0.54 0.09 0.00 0.00 178.44 179.86 2ibk n ARG 93 N -4.05 0.17 0.00 1.13 1.74 -0.72 -1.12 116.66 113.81 2ibk n ARG 93 Ca -0.01 0.53 0.14 0.00 -0.77 0.00 0.00 57.85 57.73 2ibk n ARG 93 Cb 0.48 -1.91 0.60 0.00 -1.02 0.00 0.00 32.46 30.60 2ibk n ARG 93 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ibk n GLU 94 N -2.25 0.13 -0.00 5.56 1.02 -1.00 -3.23 120.64 120.87 2ibk n GLU 94 Ca 0.00 -0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.19 2ibk n GLU 94 Cb 0.13 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.97 2ibk n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2ibk n TYR 95 N -1.42 0.00 -3.57 -0.32 4.01 -0.27 -4.99 117.16 110.60 2ibk n TYR 95 Ca 0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.85 2ibk n TYR 95 Cb 0.32 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 2ibk n TYR 95 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2ibk s SER 96 N -2.61 -0.10 0.33 7.72 0.15 -1.10 -4.96 113.70 113.12 2ibk s SER 96 Ca 0.02 0.16 0.18 0.00 0.70 0.00 0.00 55.95 57.00 2ibk s SER 96 Cb 0.09 1.06 0.40 0.00 -1.71 0.00 0.00 66.02 65.86 2ibk s SER 96 CO 0.52 -0.02 1.60 -0.33 1.20 0.00 0.00 173.24 176.21 2ibk h GLU 97 N 5.56 0.00 -5.79 5.44 3.07 -1.88 -3.38 114.58 117.60 2ibk h GLU 97 Ca -0.24 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 57.98 2ibk h GLU 97 Cb 1.15 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.95 2ibk h GLU 97 CO 0.20 0.43 1.50 0.15 -1.40 0.00 0.00 179.01 179.89 2ibk s LYS 98 N -3.28 3.69 -0.03 2.33 1.02 -1.26 -4.94 119.74 117.27 2ibk s LYS 98 Ca 0.02 -1.48 0.04 0.00 0.02 0.00 0.00 55.97 54.57 2ibk s LYS 98 Cb 0.09 -5.30 -0.00 0.00 -0.52 0.00 0.00 37.83 32.10 2ibk s LYS 98 CO 0.71 -2.12 -0.15 -1.50 -0.92 0.00 0.00 175.35 171.38 2ibk s ILE 99 N 4.24 1.20 -0.25 2.17 2.07 -1.26 -0.79 121.20 128.58 2ibk s ILE 99 Ca 0.45 -0.61 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 2ibk s ILE 99 Cb -0.00 -1.02 0.05 0.00 0.13 0.00 0.00 42.46 41.61 2ibk s ILE 99 CO -0.06 0.35 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.51 2ibk s GLU 100 N -0.07 2.44 -0.68 3.50 2.12 0.90 -4.26 118.70 122.64 2ibk s GLU 100 Ca 0.00 -1.22 -0.22 0.00 0.36 0.00 0.00 54.97 53.89 2ibk s GLU 100 Cb -0.09 -2.88 0.08 0.00 0.26 0.00 0.00 34.13 31.50 2ibk s GLU 100 CO 0.01 -0.50 0.94 0.42 -0.54 0.00 0.00 175.26 175.59 2ibk s ILE 101 N 1.17 4.44 0.20 -3.70 1.01 -1.26 0.09 121.20 123.14 2ibk s ILE 101 Ca -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2ibk s ILE 101 Cb -0.19 -4.67 -0.06 0.00 0.01 0.00 0.00 42.46 37.56 2ibk s ILE 101 CO -0.06 -1.41 1.51 0.00 0.00 0.00 0.00 174.94 174.97 2ibk h ALA 102 N 9.44 0.71 -2.09 9.38 0.00 -1.75 -3.42 119.26 131.53 2ibk h ALA 102 Ca -0.24 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2ibk h ALA 102 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ibk h ALA 102 CO 1.16 0.70 0.03 -1.13 0.00 0.00 0.00 179.25 180.01 2ibk n SER 103 N -3.93 -0.23 0.25 0.00 3.41 -1.15 -4.97 113.62 107.00 2ibk n SER 103 Ca -0.03 -1.15 0.17 0.00 -0.26 0.00 0.00 58.87 57.59 2ibk n SER 103 Cb 0.62 0.37 0.84 0.00 -0.26 0.00 0.00 64.21 65.79 2ibk n SER 103 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2ibk h ILE 104 N 1.10 0.00 0.00 -1.33 2.10 -2.00 -3.15 117.51 114.23 2ibk h ILE 104 Ca -0.03 -0.12 -0.06 0.00 1.08 0.00 0.00 64.86 65.72 2ibk h ILE 104 Cb 0.12 0.93 -0.14 0.00 -1.09 0.00 0.00 36.82 36.65 2ibk h ILE 104 CO 0.04 0.00 -0.65 -0.90 -1.08 0.00 0.00 178.15 175.56 2ibk n ASP 105 N -2.73 0.63 -3.84 2.19 5.75 -1.26 -4.77 116.55 112.52 2ibk n ASP 105 Ca -0.01 -2.19 -0.12 0.00 -0.01 0.00 0.00 54.79 52.46 2ibk n ASP 105 Cb 0.12 -0.27 -0.14 0.00 -1.03 0.00 0.00 41.12 39.81 2ibk n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ibk s GLU 106 N -0.40 0.07 -0.16 0.11 2.02 -1.19 -1.06 118.70 118.08 2ibk s GLU 106 Ca 0.17 0.10 -0.18 0.00 0.02 0.00 0.00 54.97 55.08 2ibk s GLU 106 Cb 0.18 0.01 0.05 0.00 0.10 0.00 0.00 34.13 34.47 2ibk s GLU 106 CO -0.06 -0.02 0.49 0.00 0.02 0.00 0.00 175.26 175.68 2ibk s ALA 107 N 0.14 -1.21 -0.14 5.21 0.00 -0.32 -1.87 121.76 123.57 2ibk s ALA 107 Ca -0.01 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 2ibk s ALA 107 Cb -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 2ibk s ALA 107 CO -0.00 -0.24 -0.03 0.71 0.00 0.00 0.00 175.76 176.19 2ibk s TYR 108 N 0.02 3.04 -0.18 0.00 2.02 0.11 -0.13 117.35 122.23 2ibk s TYR 108 Ca -0.02 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 2ibk s TYR 108 Cb -0.03 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 2ibk s TYR 108 CO 0.02 0.07 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.39 2ibk s LEU 109 N 0.08 2.29 -0.60 -1.29 1.02 0.25 -0.07 118.68 120.37 2ibk s LEU 109 Ca -0.00 -0.58 -0.25 0.00 0.02 0.00 0.00 54.13 53.32 2ibk s LEU 109 Cb -0.13 -1.53 0.04 0.00 0.02 0.00 0.00 46.19 44.59 2ibk s LEU 109 CO 0.03 0.02 1.05 -0.62 0.02 0.00 0.00 176.35 176.85 2ibk s ASP 110 N 1.17 6.32 -0.21 2.29 -1.08 0.03 -0.03 116.67 125.15 2ibk s ASP 110 Ca 0.02 -0.34 0.15 0.00 -0.52 0.00 0.00 52.55 51.85 2ibk s ASP 110 Cb -0.14 -2.48 0.75 0.00 -1.46 0.00 0.00 42.92 39.59 2ibk s ASP 110 CO -0.08 -1.40 1.67 2.30 0.52 0.00 0.00 175.17 178.18 2ibk n ILE 111 N 6.30 2.59 -0.16 4.11 -5.35 -0.13 -4.61 119.36 122.10 2ibk n ILE 111 Ca 0.03 -1.49 -0.02 0.00 -0.27 0.00 0.00 62.75 61.00 2ibk n ILE 111 Cb 0.48 -0.23 0.06 0.00 -1.74 0.00 0.00 39.64 38.21 2ibk n ILE 111 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2ibk h SER 112 N 3.53 -0.22 0.43 7.28 0.02 -1.80 0.25 113.55 123.04 2ibk h SER 112 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2ibk h SER 112 Cb 1.82 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.58 2ibk h SER 112 CO 0.41 -0.08 0.00 0.47 -1.14 0.00 0.00 176.83 176.49 2ibk n ASP 113 N -5.24 0.00 -0.08 3.07 8.00 -1.26 -3.69 116.55 117.35 2ibk n ASP 113 Ca 0.06 -0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 2ibk n ASP 113 Cb 0.28 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 2ibk n ASP 113 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ibk n LYS 114 N -1.29 1.23 -4.36 -1.24 4.76 0.61 -5.01 118.16 112.85 2ibk n LYS 114 Ca 0.10 0.04 -0.27 0.00 -2.87 0.00 0.00 58.31 55.31 2ibk n LYS 114 Cb 0.18 -1.35 -0.13 0.00 -1.84 0.00 0.00 35.03 31.89 2ibk n LYS 114 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ibk s VAL 115 N -2.34 2.12 -0.19 -0.18 -7.23 0.34 -5.04 120.40 107.88 2ibk s VAL 115 Ca -0.14 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 2ibk s VAL 115 Cb 0.05 -1.89 -0.21 0.00 0.56 0.00 0.00 36.38 34.89 2ibk s VAL 115 CO 0.49 0.03 0.29 -0.09 -0.31 0.00 0.00 175.10 175.52 2ibk h ARG 116 N 3.88 0.04 0.00 4.82 2.43 -1.88 -3.42 114.38 120.25 2ibk h ARG 116 Ca -0.49 -0.07 -0.45 0.00 -0.81 0.00 0.00 59.98 58.16 2ibk h ARG 116 Cb 1.18 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.66 2ibk h ARG 116 CO 0.40 1.03 -0.36 -0.40 -1.51 0.00 0.00 179.97 179.13 2ibk n ASP 117 N -4.33 1.77 0.23 -3.80 5.68 -1.26 -5.04 116.55 109.80 2ibk n ASP 117 Ca -0.30 -2.67 0.16 0.00 -0.50 0.00 0.00 54.79 51.48 2ibk n ASP 117 Cb 0.71 0.62 0.60 0.00 -1.14 0.00 0.00 41.12 41.91 2ibk n ASP 117 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2ibk h TYR 118 N 1.41 0.00 -0.07 2.11 0.05 -1.99 -2.37 116.97 116.12 2ibk h TYR 118 Ca -0.27 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.34 2ibk h TYR 118 Cb 0.94 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 2ibk h TYR 118 CO 0.00 0.00 -0.71 -0.09 -1.05 0.00 0.00 178.16 176.31 2ibk h ARG 119 N 0.00 0.34 0.23 4.88 2.43 -1.99 -0.93 114.38 119.35 2ibk h ARG 119 Ca 0.00 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 2ibk h ARG 119 Cb 0.52 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2ibk h ARG 119 CO 0.00 0.92 -0.11 1.49 -1.51 0.00 0.00 179.97 180.76 2ibk h GLU 120 N 0.23 -0.30 -0.62 0.20 4.81 -1.89 -2.18 114.58 114.83 2ibk h GLU 120 Ca -0.03 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2ibk h GLU 120 Cb 1.28 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.61 2ibk h GLU 120 CO 0.12 0.07 -0.17 0.00 -0.73 0.00 0.00 179.01 178.29 2ibk h ALA 121 N -0.24 0.38 -0.56 2.92 0.00 -1.42 0.20 119.26 120.55 2ibk h ALA 121 Ca -0.03 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ibk h ALA 121 Cb 0.51 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2ibk h ALA 121 CO 0.05 -0.44 0.33 -0.92 0.00 0.00 0.00 179.25 178.26 2ibk h TYR 122 N -0.01 0.60 -0.62 0.00 3.20 -1.14 0.37 116.97 119.37 2ibk h TYR 122 Ca 0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2ibk h TYR 122 Cb 0.47 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2ibk h TYR 122 CO -0.52 0.33 0.33 -0.91 -1.64 0.00 0.00 178.16 175.75 2ibk h ASN 123 N 0.64 0.77 -0.32 -2.11 2.35 -0.23 -0.00 115.58 116.68 2ibk h ASN 123 Ca 0.23 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 2ibk h ASN 123 Cb 0.06 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2ibk h ASN 123 CO -0.12 0.63 -0.32 0.25 -1.65 0.00 0.00 177.43 176.22 2ibk h LEU 124 N 0.87 0.88 -0.80 1.61 5.85 0.52 -0.97 115.31 123.27 2ibk h LEU 124 Ca 0.22 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2ibk h LEU 124 Cb 0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2ibk h LEU 124 CO -0.03 1.12 0.52 1.23 -0.34 0.00 0.00 178.44 180.94 2ibk h GLY 125 N 0.90 1.13 1.56 3.75 0.00 0.10 0.47 103.07 110.99 2ibk h GLY 125 Ca 0.08 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2ibk h GLY 125 CO 0.08 0.39 -0.45 1.41 0.00 0.00 0.00 176.54 177.97 2ibk h LEU 126 N 1.05 0.51 -0.35 3.11 3.38 -0.84 1.00 115.31 123.16 2ibk h LEU 126 Ca 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2ibk h LEU 126 Cb -0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ibk h LEU 126 CO -0.08 0.89 0.03 -0.08 0.09 0.00 0.00 178.44 179.29 2ibk h GLU 127 N 0.39 0.60 -0.20 1.13 4.81 -0.05 -0.59 114.58 120.66 2ibk h GLU 127 Ca 0.03 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2ibk h GLU 127 Cb 0.94 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2ibk h GLU 127 CO 0.08 0.69 0.07 0.82 -0.73 0.00 0.00 179.01 179.94 2ibk h ILE 128 N 0.43 1.18 -0.25 2.32 2.04 0.15 -0.64 117.51 122.73 2ibk h ILE 128 Ca 0.10 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2ibk h ILE 128 Cb 0.40 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2ibk h ILE 128 CO 0.01 0.18 -0.03 0.11 0.00 0.00 0.00 178.15 178.42 2ibk h LYS 129 N 0.15 0.04 -0.78 2.37 1.57 -0.68 -1.77 116.57 117.47 2ibk h LYS 129 Ca 0.06 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2ibk h LYS 129 Cb 0.21 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2ibk h LYS 129 CO -0.00 0.03 0.38 -0.91 -0.57 0.00 0.00 179.45 178.37 2ibk h ASN 130 N 0.04 1.02 -0.32 0.86 4.21 -0.94 -1.69 115.58 118.76 2ibk h ASN 130 Ca 0.12 -0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 2ibk h ASN 130 Cb 0.16 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 2ibk h ASN 130 CO -0.22 0.86 0.14 0.50 -1.29 0.00 0.00 177.43 177.42 2ibk h LYS 131 N 1.12 0.48 -0.45 0.81 1.63 -0.70 0.83 116.57 120.28 2ibk h LYS 131 Ca 0.27 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.93 2ibk h LYS 131 Cb 0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2ibk h LYS 131 CO -0.03 0.47 0.07 0.82 -3.45 0.00 0.00 179.45 177.32 2ibk h ILE 132 N 0.38 1.25 -0.66 2.00 2.04 -1.21 0.78 117.51 122.08 2ibk h ILE 132 Ca 0.11 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2ibk h ILE 132 Cb 0.16 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2ibk h ILE 132 CO -0.01 0.32 0.39 0.25 0.00 0.00 0.00 178.15 179.10 2ibk h LEU 133 N 0.61 0.80 0.14 1.44 5.85 -1.10 0.26 115.31 123.31 2ibk h LEU 133 Ca 0.14 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2ibk h LEU 133 Cb 0.39 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2ibk h LEU 133 CO 0.01 0.64 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.35 2ibk h GLU 134 N 0.90 -0.18 -0.07 1.25 5.08 -0.54 -0.84 114.58 120.17 2ibk h GLU 134 Ca 0.24 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.44 2ibk h GLU 134 Cb -0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2ibk h GLU 134 CO -0.04 0.15 -0.69 0.87 -1.00 0.00 0.00 179.01 178.30 2ibk h LYS 135 N -0.52 0.32 0.00 2.33 1.79 -0.76 -3.39 116.57 116.34 2ibk h LYS 135 Ca -0.02 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2ibk h LYS 135 Cb 0.41 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2ibk h LYS 135 CO 0.03 0.89 0.00 0.39 -1.08 0.00 0.00 179.45 179.68 2ibk n GLU 136 N -3.84 2.39 -1.74 3.15 -0.58 0.88 -5.01 120.64 115.89 2ibk n GLU 136 Ca -0.03 -0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.46 2ibk n GLU 136 Cb 0.68 -0.50 -0.03 0.00 -0.57 0.00 0.00 31.44 31.01 2ibk n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ibk n LYS 137 N -0.38 -0.96 -4.26 3.49 4.76 -0.32 -4.99 118.16 115.51 2ibk n LYS 137 Ca 0.00 0.82 -0.34 0.00 -2.87 0.00 0.00 58.31 55.92 2ibk n LYS 137 Cb 0.04 -4.94 -0.12 0.00 -1.84 0.00 0.00 35.03 28.17 2ibk n LYS 137 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ibk s ILE 138 N -2.55 4.07 -0.00 -0.18 -1.09 -1.24 -4.94 121.20 115.27 2ibk s ILE 138 Ca 0.00 -0.29 -0.14 0.00 -2.23 0.00 0.00 60.65 57.99 2ibk s ILE 138 Cb 0.00 -2.80 -0.06 0.00 -1.58 0.00 0.00 42.46 38.02 2ibk s ILE 138 CO 0.00 0.47 0.40 0.42 -1.23 0.00 0.00 174.94 175.00 2ibk s THR 139 N 0.51 5.04 0.31 2.92 -4.23 -1.26 -3.35 115.64 115.58 2ibk s THR 139 Ca -0.02 0.82 0.03 0.00 -1.18 0.00 0.00 61.69 61.35 2ibk s THR 139 Cb -0.14 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 2ibk s THR 139 CO 0.02 0.58 0.06 0.68 -0.54 0.00 0.00 174.62 175.42 2ibk s VAL 140 N -1.07 1.08 -0.09 2.29 -7.23 -1.26 -2.37 120.40 111.75 2ibk s VAL 140 Ca 0.23 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 2ibk s VAL 140 Cb -0.17 -2.75 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 2ibk s VAL 140 CO 0.13 -0.01 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.79 2ibk s THR 141 N -3.37 1.97 -0.15 5.32 2.01 -0.16 -3.75 115.64 117.51 2ibk s THR 141 Ca 0.37 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 2ibk s THR 141 Cb 0.08 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 2ibk s THR 141 CO 0.15 0.54 0.02 -0.69 -0.69 0.00 0.00 174.62 173.95 2ibk s VAL 142 N 0.27 4.42 -0.12 3.82 1.01 -0.62 -1.26 120.40 127.92 2ibk s VAL 142 Ca -0.16 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2ibk s VAL 142 Cb -0.17 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2ibk s VAL 142 CO 0.08 0.50 -0.22 -0.83 0.00 0.00 0.00 175.10 174.63 2ibk s GLY 143 N 0.10 1.37 -0.05 4.51 0.00 0.82 -1.21 107.32 112.86 2ibk s GLY 143 Ca 0.03 -1.02 0.05 0.00 0.00 0.00 0.00 44.72 43.77 2ibk s GLY 143 CO 0.02 -0.17 -0.19 -0.42 0.00 0.00 0.00 173.10 172.33 2ibk s ILE 144 N 0.57 1.61 0.00 0.90 1.01 0.28 0.16 121.20 125.73 2ibk s ILE 144 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2ibk s ILE 144 Cb -0.17 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2ibk s ILE 144 CO 0.04 0.46 0.00 -0.24 0.00 0.00 0.00 174.94 175.20 2ibk n SER 145 N 3.14 0.00 0.17 3.58 2.88 -0.88 -0.88 113.62 121.63 2ibk n SER 145 Ca -0.18 -0.79 0.05 0.00 -1.33 0.00 0.00 58.87 56.62 2ibk n SER 145 Cb 0.53 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.10 2ibk n SER 145 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2ibk h LYS 146 N 0.00 0.00 -4.28 -1.46 2.10 -1.76 -0.55 116.57 110.62 2ibk h LYS 146 Ca 0.00 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.42 2ibk h LYS 146 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 2ibk h LYS 146 CO 0.00 0.36 -0.38 0.54 -2.00 0.00 0.00 179.45 177.97 2ibk s ASN 147 N -6.37 0.43 0.30 7.07 2.20 -1.26 -4.54 114.94 112.77 2ibk s ASN 147 Ca 0.04 -1.33 -0.00 0.00 -0.94 0.00 0.00 52.86 50.63 2ibk s ASN 147 Cb 0.07 0.51 0.51 0.00 -2.00 0.00 0.00 41.25 40.34 2ibk s ASN 147 CO 0.72 -1.04 1.94 0.11 -2.94 0.00 0.00 177.10 175.88 2ibk h LYS 148 N 2.36 1.02 0.05 3.55 1.57 -1.91 -2.44 116.57 120.77 2ibk h LYS 148 Ca -0.30 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2ibk h LYS 148 Cb 1.25 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2ibk h LYS 148 CO 0.43 0.68 -0.02 0.28 -0.57 0.00 0.00 179.45 180.25 2ibk h VAL 149 N 1.05 1.14 0.00 0.50 2.07 -1.96 -2.14 116.25 116.91 2ibk h VAL 149 Ca 0.35 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2ibk h VAL 149 Cb 0.07 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2ibk h VAL 149 CO -0.11 0.16 -0.35 -0.26 0.02 0.00 0.00 177.57 177.03 2ibk h PHE 150 N -0.35 0.00 -0.42 1.57 0.04 -1.97 -0.58 116.94 115.23 2ibk h PHE 150 Ca -0.01 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2ibk h PHE 150 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2ibk h PHE 150 CO 0.02 0.35 -0.21 0.00 -0.60 0.00 0.00 178.31 177.87 2ibk h ALA 151 N 1.65 0.83 -0.37 2.45 0.00 -1.42 0.42 119.26 122.82 2ibk h ALA 151 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2ibk h ALA 151 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ibk h ALA 151 CO 0.05 0.64 -0.10 -0.22 0.00 0.00 0.00 179.25 179.62 2ibk h LYS 152 N 0.73 0.73 -0.82 0.00 3.64 -0.74 -1.40 116.57 118.71 2ibk h LYS 152 Ca 0.10 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2ibk h LYS 152 Cb 0.74 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2ibk h LYS 152 CO 0.06 0.88 0.41 0.82 -2.27 0.00 0.00 179.45 179.35 2ibk h ILE 153 N 0.53 1.25 -0.51 2.00 2.04 -0.83 0.83 117.51 122.81 2ibk h ILE 153 Ca 0.09 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.31 2ibk h ILE 153 Cb 0.62 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2ibk h ILE 153 CO 0.04 0.30 0.26 0.00 0.00 0.00 0.00 178.15 178.75 2ibk h ALA 154 N 1.22 0.66 -0.61 1.87 0.00 0.17 -0.92 119.26 121.64 2ibk h ALA 154 Ca 0.28 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2ibk h ALA 154 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2ibk h ALA 154 CO -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2ibk h ALA 155 N 1.28 0.84 -0.72 0.00 0.00 -0.64 -1.84 119.26 118.18 2ibk h ALA 155 Ca 0.23 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ibk h ALA 155 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2ibk h ALA 155 CO -0.16 0.67 0.47 -0.44 0.00 0.00 0.00 179.25 179.80 2ibk h ASP 156 N 0.99 0.74 0.52 0.00 3.32 0.04 -1.24 116.42 120.78 2ibk h ASP 156 Ca 0.17 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.99 2ibk h ASP 156 Cb 0.56 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2ibk h ASP 156 CO 0.03 0.50 -1.01 0.24 -1.72 0.00 0.00 179.24 177.28 2ibk h MET 157 N 0.85 0.29 -0.00 3.56 2.86 -0.92 -3.33 114.93 118.24 2ibk h MET 157 Ca 0.29 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2ibk h MET 157 Cb 0.09 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2ibk h MET 157 CO -0.09 1.09 -0.30 0.00 1.06 0.00 0.00 176.91 178.66 2ibk n ALA 158 N -2.51 3.16 -1.81 6.32 0.00 -0.72 -4.95 120.51 120.01 2ibk n ALA 158 Ca -0.06 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 2ibk n ALA 158 Cb 0.88 -1.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 2ibk n ALA 158 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2ibk s LYS 159 N -2.65 4.06 0.68 0.00 -2.85 -0.52 -3.16 119.74 115.30 2ibk s LYS 159 Ca 0.21 1.17 -0.04 0.00 -1.00 0.00 0.00 55.97 56.31 2ibk s LYS 159 Cb 0.19 -2.15 0.07 0.00 -2.06 0.00 0.00 37.83 33.88 2ibk s LYS 159 CO 0.57 -0.18 0.96 -1.25 0.10 0.00 0.00 175.35 175.54 2ibk s PRO 160 N -3.32 2.13 -1.73 1.78 0.04 -1.26 -4.93 135.00 127.71 2ibk s PRO 160 Ca 0.63 -0.56 -0.19 0.00 0.04 0.00 0.00 61.00 60.92 2ibk s PRO 160 Cb -0.11 -2.27 0.19 0.00 0.04 0.00 0.00 34.50 32.35 2ibk s PRO 160 CO 0.18 -1.18 0.47 -1.71 0.04 0.00 0.00 177.00 174.80 2ibk n ASN 161 N -2.78 -1.30 -3.20 6.66 5.15 -1.26 -4.90 115.26 113.63 2ibk n ASN 161 Ca 0.09 -1.18 -0.13 0.00 -0.60 0.00 0.00 54.58 52.76 2ibk n ASN 161 Cb 0.60 -1.51 -0.01 0.00 -0.53 0.00 0.00 39.78 38.33 2ibk n ASN 161 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ibk n GLY 162 N -1.27 3.35 3.60 8.20 0.00 -1.19 -4.95 105.19 112.93 2ibk n GLY 162 Ca 0.04 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 2ibk n GLY 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ibk s ILE 163 N -1.44 -0.82 -0.01 -0.61 2.07 -1.26 -1.58 121.20 117.55 2ibk s ILE 163 Ca 0.08 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 2ibk s ILE 163 Cb -0.01 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 2ibk s ILE 163 CO 0.05 0.00 -0.03 -0.75 -1.91 0.00 0.00 174.94 172.30 2ibk s LYS 164 N 2.70 0.28 -0.02 3.50 2.20 -0.35 -4.97 119.74 123.08 2ibk s LYS 164 Ca -0.06 -0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 2ibk s LYS 164 Cb -0.10 -0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 35.89 2ibk s LYS 164 CO -0.19 0.04 -0.03 0.08 -0.36 0.00 0.00 175.35 174.90 2ibk s VAL 165 N 0.08 3.97 -0.36 4.02 1.01 -1.26 -0.56 120.40 127.31 2ibk s VAL 165 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2ibk s VAL 165 Cb -0.03 -2.73 0.11 0.00 0.00 0.00 0.00 36.38 33.73 2ibk s VAL 165 CO -0.00 0.43 0.12 -0.63 0.00 0.00 0.00 175.10 175.02 2ibk s ILE 166 N -1.00 1.53 1.02 2.22 1.01 -0.06 -4.94 121.20 120.98 2ibk s ILE 166 Ca 0.17 -2.03 -0.12 0.00 0.00 0.00 0.00 60.65 58.67 2ibk s ILE 166 Cb -0.11 -2.13 0.20 0.00 0.01 0.00 0.00 42.46 40.43 2ibk s ILE 166 CO 0.07 -0.70 1.08 1.51 0.00 0.00 0.00 174.94 176.91 2ibk s ASP 167 N 1.04 2.43 0.52 3.58 1.47 -1.26 -4.36 116.67 120.09 2ibk s ASP 167 Ca 0.12 1.25 0.22 0.00 1.18 0.00 0.00 52.55 55.32 2ibk s ASP 167 Cb -0.20 -1.93 1.21 0.00 -0.34 0.00 0.00 42.92 41.66 2ibk s ASP 167 CO -0.14 -3.26 1.64 0.44 0.68 0.00 0.00 175.17 174.53 2ibk h ASP 168 N -1.98 0.00 0.08 2.11 3.32 -2.00 -0.79 116.42 117.17 2ibk h ASP 168 Ca -0.55 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.17 2ibk h ASP 168 Cb 1.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.85 2ibk h ASP 168 CO 0.56 0.00 -1.79 -0.62 -1.72 0.00 0.00 179.24 175.68 2ibk n GLU 169 N -2.52 0.70 0.28 3.56 -0.58 -1.26 -3.76 120.64 117.06 2ibk n GLU 169 Ca -0.01 0.36 0.18 0.00 -0.42 0.00 0.00 57.16 57.26 2ibk n GLU 169 Cb 0.36 -1.72 0.73 0.00 -0.57 0.00 0.00 31.44 30.24 2ibk n GLU 169 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2ibk h GLU 170 N -0.28 0.00 -0.15 3.49 4.81 -1.50 -1.96 114.58 118.98 2ibk h GLU 170 Ca -0.41 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2ibk h GLU 170 Cb 1.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 2ibk h GLU 170 CO -0.02 0.01 -0.01 0.28 -0.73 0.00 0.00 179.01 178.54 2ibk h VAL 171 N 0.00 1.26 -0.47 0.32 2.07 -1.46 -0.30 116.25 117.67 2ibk h VAL 171 Ca -0.00 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2ibk h VAL 171 Cb 0.47 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2ibk h VAL 171 CO 0.00 0.26 0.26 0.11 0.02 0.00 0.00 177.57 178.22 2ibk h LYS 172 N 0.00 0.64 -0.21 1.57 1.57 -1.46 0.01 116.57 118.69 2ibk h LYS 172 Ca 0.04 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2ibk h LYS 172 Cb 0.40 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2ibk h LYS 172 CO 0.01 0.47 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.10 2ibk h ARG 173 N 0.65 0.49 -0.61 3.15 2.43 -1.24 -3.17 114.38 116.07 2ibk h ARG 173 Ca 0.17 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2ibk h ARG 173 Cb 0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2ibk h ARG 173 CO -0.03 0.81 0.26 -0.07 -1.51 0.00 0.00 179.97 179.42 2ibk h LEU 174 N 0.17 0.80 -2.47 3.80 3.38 -0.36 0.84 115.31 121.47 2ibk h LEU 174 Ca 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ibk h LEU 174 Cb 0.70 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ibk h LEU 174 CO 0.04 0.71 0.05 0.40 0.09 0.00 0.00 178.44 179.73 2ibk h ILE 175 N 0.87 0.00 0.00 1.22 2.04 -0.99 -0.91 117.51 119.74 2ibk h ILE 175 Ca 0.21 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.73 2ibk h ILE 175 Cb 0.15 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2ibk h ILE 175 CO -0.02 0.00 -2.25 0.54 0.00 0.00 0.00 178.15 176.41 2ibk n ARG 176 N -2.84 0.54 -0.02 2.37 1.74 -0.44 -0.63 116.66 117.37 2ibk n ARG 176 Ca -0.02 0.14 0.05 0.00 -0.77 0.00 0.00 57.85 57.25 2ibk n ARG 176 Cb 0.11 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 2ibk n ARG 176 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ibk n GLU 177 N -3.31 0.66 -2.34 5.56 1.02 0.16 -4.79 120.64 117.60 2ibk n GLU 177 Ca -0.40 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.22 2ibk n GLU 177 Cb 0.90 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 2ibk n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2ibk s LEU 178 N -4.91 4.37 0.06 -4.62 2.96 -0.37 -4.95 118.68 111.22 2ibk s LEU 178 Ca -0.08 2.12 -0.31 0.00 -0.22 0.00 0.00 54.13 55.64 2ibk s LEU 178 Cb 0.11 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.12 2ibk s LEU 178 CO 0.87 -0.53 1.91 -0.67 -1.32 0.00 0.00 176.35 176.61 2ibk n ASP 179 N 3.94 4.04 0.14 3.68 -0.08 -1.26 -4.14 116.55 122.87 2ibk n ASP 179 Ca 0.10 0.95 0.08 0.00 -1.51 0.00 0.00 54.79 54.40 2ibk n ASP 179 Cb 0.45 -1.52 0.43 0.00 2.34 0.00 0.00 41.12 42.82 2ibk n ASP 179 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ibk n ILE 180 N 5.13 0.94 0.24 5.18 3.06 -0.19 0.25 119.36 133.97 2ibk n ILE 180 Ca 0.19 0.71 0.14 0.00 -2.50 0.00 0.00 62.75 61.29 2ibk n ILE 180 Cb 0.38 -1.71 0.34 0.00 0.54 0.00 0.00 39.64 39.18 2ibk n ILE 180 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2ibk h ALA 181 N 1.64 1.00 -0.07 1.51 0.00 -1.87 -2.87 119.26 118.60 2ibk h ALA 181 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ibk h ALA 181 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ibk h ALA 181 CO 0.00 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 2ibk n ASP 182 N -3.10 0.88 -4.70 0.00 8.00 0.14 -4.82 116.55 112.95 2ibk n ASP 182 Ca 0.03 -1.50 -0.42 0.00 0.71 0.00 0.00 54.79 53.61 2ibk n ASP 182 Cb 0.46 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2ibk n ASP 182 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ibk s VAL 183 N -1.91 4.89 0.10 2.53 1.01 -1.09 -4.93 120.40 121.00 2ibk s VAL 183 Ca 0.33 1.89 -0.35 0.00 0.00 0.00 0.00 61.98 63.84 2ibk s VAL 183 Cb 0.17 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 2ibk s VAL 183 CO 0.27 0.13 1.50 -2.65 0.00 0.00 0.00 175.10 174.35 2ibk n PRO 184 N 4.25 1.68 -0.02 2.72 -0.02 -1.26 -1.78 135.00 140.56 2ibk n PRO 184 Ca 0.05 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2ibk n PRO 184 Cb 0.50 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2ibk n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ibk n GLY 185 N 3.11 0.34 3.17 -1.23 0.00 -1.26 -5.02 105.19 104.31 2ibk n GLY 185 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2ibk n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ibk s ILE 186 N -2.12 3.86 0.02 -0.61 -1.09 -0.73 -5.03 121.20 115.50 2ibk s ILE 186 Ca 0.00 -2.01 -0.00 0.00 -2.23 0.00 0.00 60.65 56.41 2ibk s ILE 186 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2ibk s ILE 186 CO 0.00 -0.76 0.03 0.61 -1.23 0.00 0.00 174.94 173.59 2ibk n GLY 187 N 4.65 0.55 0.33 6.18 0.00 -1.26 -4.78 105.19 110.86 2ibk n GLY 187 Ca -0.04 -1.92 0.10 0.00 0.00 0.00 0.00 46.02 44.15 2ibk n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ibk h ASN 188 N -0.02 0.68 -0.31 1.61 -0.26 -1.97 -1.77 115.58 113.53 2ibk h ASN 188 Ca -0.01 0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 55.74 2ibk h ASN 188 Cb 0.03 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2ibk h ASN 188 CO 0.01 0.27 -0.14 0.40 -1.06 0.00 0.00 177.43 176.91 2ibk h ILE 189 N 0.73 1.29 -0.18 2.81 2.04 -2.00 -2.61 117.51 119.59 2ibk h ILE 189 Ca 0.52 -1.24 -0.14 0.00 1.00 0.00 0.00 64.86 65.00 2ibk h ILE 189 Cb 0.74 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2ibk h ILE 189 CO -0.36 0.40 -0.48 0.74 0.00 0.00 0.00 178.15 178.44 2ibk h THR 190 N 0.41 1.32 -0.13 -0.27 2.02 -1.88 -2.21 112.91 112.18 2ibk h THR 190 Ca 0.07 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.55 2ibk h THR 190 Cb 0.66 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2ibk h THR 190 CO 0.04 0.53 0.08 0.00 0.37 0.00 0.00 175.52 176.54 2ibk h ALA 191 N 1.10 0.16 -0.50 6.16 0.00 -1.30 -0.02 119.26 124.85 2ibk h ALA 191 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ibk h ALA 191 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2ibk h ALA 191 CO 0.09 -0.35 0.03 0.93 0.00 0.00 0.00 179.25 179.96 2ibk h GLU 192 N 0.16 0.82 0.00 0.00 4.39 -1.42 -0.82 114.58 117.71 2ibk h GLU 192 Ca 0.05 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2ibk h GLU 192 Cb -0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2ibk h GLU 192 CO -0.01 0.80 -0.44 0.87 -1.16 0.00 0.00 179.01 179.08 2ibk h LYS 193 N 0.77 0.00 -0.04 2.33 1.57 -1.04 -2.50 116.57 117.67 2ibk h LYS 193 Ca 0.16 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.72 2ibk h LYS 193 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2ibk h LYS 193 CO 0.01 0.44 -0.86 -0.07 -0.57 0.00 0.00 179.45 178.40 2ibk h LEU 194 N 0.00 0.57 -0.69 2.94 3.38 -0.53 -3.00 115.31 117.99 2ibk h LEU 194 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ibk h LEU 194 Cb 0.93 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2ibk h LEU 194 CO 0.06 1.20 0.44 0.50 0.09 0.00 0.00 178.44 180.73 2ibk h LYS 195 N 0.28 0.92 0.00 1.13 3.64 -0.86 0.20 116.57 121.88 2ibk h LYS 195 Ca -0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2ibk h LYS 195 Cb 1.48 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2ibk h LYS 195 CO 0.15 0.63 0.00 0.87 -2.27 0.00 0.00 179.45 178.83 2ibk h LYS 196 N 0.93 0.00 0.00 1.90 1.57 -1.43 -1.88 116.57 117.66 2ibk h LYS 196 Ca 0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2ibk h LYS 196 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2ibk h LYS 196 CO -0.05 0.00 -0.99 -0.07 -0.57 0.00 0.00 179.45 177.77 2ibk h LEU 197 N 0.00 0.00 0.00 2.94 3.38 -1.20 -3.48 115.31 116.96 2ibk h LEU 197 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ibk h LEU 197 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ibk h LEU 197 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2ibk n GLY 198 N 1.29 0.88 3.68 0.83 0.00 -0.54 -5.08 105.19 106.25 2ibk n GLY 198 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2ibk n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ibk s ILE 199 N -2.00 5.14 0.00 -0.61 1.01 -0.05 -4.92 121.20 119.77 2ibk s ILE 199 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2ibk s ILE 199 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2ibk s ILE 199 CO 0.00 0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.76 2ibk n ASN 200 N 4.40 0.45 -4.15 3.58 3.02 -1.26 -3.43 115.26 117.87 2ibk n ASN 200 Ca -0.06 -0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.26 2ibk n ASN 200 Cb 0.51 0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 39.91 2ibk n ASN 200 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ibk s LYS 201 N -0.43 0.78 0.20 3.52 -0.14 -1.26 -1.03 119.74 121.38 2ibk s LYS 201 Ca 0.00 -1.26 -0.10 0.00 -1.36 0.00 0.00 55.97 53.24 2ibk s LYS 201 Cb 0.00 -0.16 0.19 0.00 -1.68 0.00 0.00 37.83 36.18 2ibk s LYS 201 CO 0.00 -0.02 1.84 -0.07 -0.76 0.00 0.00 175.35 176.33 2ibk h LEU 202 N 3.14 0.66 -1.55 3.17 3.38 -1.71 -2.42 115.31 119.97 2ibk h LEU 202 Ca -0.35 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.78 2ibk h LEU 202 Cb 1.17 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2ibk h LEU 202 CO 0.63 0.45 0.52 1.62 0.09 0.00 0.00 178.44 181.75 2ibk h VAL 203 N 0.79 0.78 -0.11 1.22 3.04 -1.19 -1.67 116.25 119.11 2ibk h VAL 203 Ca 0.28 -0.15 0.03 0.00 -1.01 0.00 0.00 66.70 65.85 2ibk h VAL 203 Cb 0.06 0.31 -0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2ibk h VAL 203 CO -0.12 0.08 0.11 0.44 -1.01 0.00 0.00 177.57 177.06 2ibk h ASP 204 N 0.43 0.00 0.35 3.17 3.32 -1.73 -1.68 116.42 120.29 2ibk h ASP 204 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 2ibk h ASP 204 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2ibk h ASP 204 CO -0.13 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.10 2ibk h THR 205 N 0.00 0.00 0.09 0.35 1.35 -1.44 -1.84 112.91 111.42 2ibk h THR 205 Ca 0.05 -0.14 -0.28 0.00 -0.55 0.00 0.00 66.41 65.50 2ibk h THR 205 Cb 0.27 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 2ibk h THR 205 CO -0.00 0.00 -1.36 -0.07 -0.25 0.00 0.00 175.52 173.84 2ibk h LEU 206 N 0.00 0.30 -0.72 3.87 3.38 -1.48 -3.34 115.31 117.32 2ibk h LEU 206 Ca 0.00 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 2ibk h LEU 206 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2ibk h LEU 206 CO 0.00 1.30 -0.35 0.77 0.09 0.00 0.00 178.44 180.25 2ibk h SER 207 N 0.05 0.60 -4.33 -0.43 4.64 -1.45 -3.44 113.55 109.20 2ibk h SER 207 Ca -0.17 -0.25 -0.51 0.00 -0.47 0.00 0.00 61.79 60.39 2ibk h SER 207 Cb 1.96 -0.17 0.09 0.00 -0.31 0.00 0.00 62.40 63.97 2ibk h SER 207 CO 0.16 0.91 0.38 -0.51 -0.87 0.00 0.00 176.83 176.89 2ibk s ILE 208 N -4.34 4.10 0.31 0.95 2.07 -1.16 -5.03 121.20 118.10 2ibk s ILE 208 Ca -0.08 0.71 -0.10 0.00 -1.41 0.00 0.00 60.65 59.77 2ibk s ILE 208 Cb 0.13 -3.46 -0.07 0.00 0.13 0.00 0.00 42.46 39.19 2ibk s ILE 208 CO 0.82 -0.87 0.66 -1.61 -1.91 0.00 0.00 174.94 172.03 2ibk s GLU 209 N -4.99 3.82 0.13 3.50 0.41 -1.26 -4.98 118.70 115.33 2ibk s GLU 209 Ca 0.58 0.38 -0.20 0.00 -0.41 0.00 0.00 54.97 55.33 2ibk s GLU 209 Cb -0.14 -2.52 -0.02 0.00 -1.78 0.00 0.00 34.13 29.67 2ibk s GLU 209 CO 0.53 0.16 1.72 0.35 -0.49 0.00 0.00 175.26 177.53 2ibk h PHE 210 N 1.97 -0.04 -0.17 1.61 3.57 -1.95 -2.87 116.94 119.06 2ibk h PHE 210 Ca -0.47 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.09 2ibk h PHE 210 Cb 1.18 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2ibk h PHE 210 CO 0.61 -0.05 0.15 -0.44 -2.23 0.00 0.00 178.31 176.35 2ibk h ASP 211 N 0.05 0.00 0.08 0.41 5.19 -1.98 0.23 116.42 120.40 2ibk h ASP 211 Ca 0.10 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.26 2ibk h ASP 211 Cb 0.13 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.67 2ibk h ASP 211 CO -0.18 0.00 -1.02 0.50 -3.12 0.00 0.00 179.24 175.42 2ibk h LYS 212 N 0.00 0.54 0.19 3.56 3.64 -1.92 -2.05 116.57 120.53 2ibk h LYS 212 Ca 0.08 -0.69 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 2ibk h LYS 212 Cb 0.39 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2ibk h LYS 212 CO -0.00 1.29 -0.09 1.25 -2.27 0.00 0.00 179.45 179.63 2ibk h LEU 213 N 0.11 -0.21 -0.85 5.20 5.85 -1.15 -2.32 115.31 121.94 2ibk h LEU 213 Ca -0.15 -0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.56 2ibk h LEU 213 Cb 1.72 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.70 2ibk h LEU 213 CO 0.20 0.05 0.42 0.50 -0.34 0.00 0.00 178.44 179.26 2ibk h LYS 214 N -0.48 0.54 -0.42 1.25 3.64 -0.67 -1.05 116.57 119.39 2ibk h LYS 214 Ca -0.03 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2ibk h LYS 214 Cb 0.37 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2ibk h LYS 214 CO 0.04 0.36 -0.18 0.78 -2.27 0.00 0.00 179.45 178.18 2ibk h GLY 215 N 0.56 0.87 0.14 5.01 0.00 -1.18 -1.55 103.07 106.92 2ibk h GLY 215 Ca 0.48 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2ibk h GLY 215 CO -0.40 0.65 -0.07 1.98 0.00 0.00 0.00 176.54 178.71 2ibk h MET 216 N 0.71 -0.18 -0.00 4.80 1.85 -0.71 -3.40 114.93 118.00 2ibk h MET 216 Ca 0.11 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 2ibk h MET 216 Cb 0.69 0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.76 2ibk h MET 216 CO 0.05 -0.12 -0.69 0.44 -0.40 0.00 0.00 176.91 176.19 2ibk n ILE 217 N -4.66 0.00 0.00 1.77 -5.35 -0.50 -5.06 119.36 105.56 2ibk n ILE 217 Ca -0.02 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2ibk n ILE 217 Cb 0.07 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 2ibk n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ibk n GLY 218 N 1.47 2.34 0.14 3.28 0.00 -0.58 -4.51 105.19 107.32 2ibk n GLY 218 Ca 0.06 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 2ibk n GLY 218 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ibk h GLU 219 N 0.00 0.09 -0.02 1.61 4.81 -1.88 -0.54 114.58 118.64 2ibk h GLU 219 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2ibk h GLU 219 Cb 0.00 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2ibk h GLU 219 CO 0.00 0.06 -0.11 0.00 -0.73 0.00 0.00 179.01 178.23 2ibk h ALA 220 N 1.28 -0.10 0.00 2.92 0.00 -1.94 -1.18 119.26 120.24 2ibk h ALA 220 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2ibk h ALA 220 Cb 0.21 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2ibk h ALA 220 CO -0.26 -0.59 -0.43 0.87 0.00 0.00 0.00 179.25 178.84 2ibk h LYS 221 N -0.17 0.00 0.07 0.00 1.57 -1.77 -2.54 116.57 113.73 2ibk h LYS 221 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ibk h LYS 221 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2ibk h LYS 221 CO -0.13 0.43 -0.03 0.00 -0.57 0.00 0.00 179.45 179.15 2ibk h ALA 222 N 1.57 -0.09 -0.44 3.86 0.00 -0.59 -1.92 119.26 121.66 2ibk h ALA 222 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2ibk h ALA 222 Cb 0.77 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2ibk h ALA 222 CO 0.06 -0.39 0.16 0.87 0.00 0.00 0.00 179.25 179.95 2ibk h LYS 223 N -0.42 0.63 0.12 0.00 1.57 -1.21 -1.88 116.57 115.37 2ibk h LYS 223 Ca -0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2ibk h LYS 223 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2ibk h LYS 223 CO 0.01 0.54 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.46 2ibk h TYR 224 N 0.62 -0.14 -0.44 -1.35 3.20 -1.34 0.72 116.97 118.25 2ibk h TYR 224 Ca 0.15 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2ibk h TYR 224 Cb 0.16 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 2ibk h TYR 224 CO 0.01 0.04 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.36 2ibk h LEU 225 N -0.31 0.81 -0.43 2.82 3.38 -1.18 -1.64 115.31 118.77 2ibk h LEU 225 Ca -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2ibk h LEU 225 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2ibk h LEU 225 CO 0.03 0.96 0.14 0.40 0.09 0.00 0.00 178.44 180.05 2ibk h ILE 226 N 0.73 1.22 -0.59 1.22 2.04 -1.25 0.16 117.51 121.04 2ibk h ILE 226 Ca 0.12 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2ibk h ILE 226 Cb 0.64 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2ibk h ILE 226 CO 0.04 0.25 0.22 0.77 0.00 0.00 0.00 178.15 179.44 2ibk h SER 227 N 0.55 0.79 -0.29 1.72 4.64 -0.65 0.15 113.55 120.45 2ibk h SER 227 Ca 0.14 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2ibk h SER 227 Cb 0.26 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2ibk h SER 227 CO -0.01 0.72 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.48 2ibk h LEU 228 N 0.85 0.61 -1.14 5.97 3.38 -0.93 0.29 115.31 124.34 2ibk h LEU 228 Ca 0.20 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2ibk h LEU 228 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2ibk h LEU 228 CO -0.02 0.88 0.41 0.00 0.09 0.00 0.00 178.44 179.80 2ibk h ALA 229 N 0.76 1.35 0.00 1.53 0.00 0.05 -0.97 119.26 121.98 2ibk h ALA 229 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ibk h ALA 229 Cb 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ibk h ALA 229 CO 0.04 0.54 0.00 0.54 0.00 0.00 0.00 179.25 180.37 2ibk n ARG 230 N -4.37 0.51 -3.12 0.00 1.74 0.44 -4.86 116.66 107.00 2ibk n ARG 230 Ca 0.07 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.97 2ibk n ARG 230 Cb 0.09 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.07 2ibk n ARG 230 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ibk n ASP 231 N -1.21 -5.89 -0.58 0.55 2.03 -0.37 -4.90 116.55 106.18 2ibk n ASP 231 Ca 0.15 -0.33 0.05 0.00 0.52 0.00 0.00 54.79 55.18 2ibk n ASP 231 Cb 0.18 -4.66 0.13 0.00 -0.72 0.00 0.00 41.12 36.06 2ibk n ASP 231 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ibk n GLU 232 N -4.04 2.72 -2.70 -0.67 1.02 0.96 -4.99 120.64 112.93 2ibk n GLU 232 Ca -0.07 -1.95 -0.42 0.00 -0.02 0.00 0.00 57.16 54.70 2ibk n GLU 232 Cb 0.60 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 2ibk n GLU 232 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2ibk s TYR 233 N -0.99 3.60 -0.34 -0.32 5.04 -1.05 -4.90 117.35 118.39 2ibk s TYR 233 Ca 0.21 1.66 0.14 0.00 -2.44 0.00 0.00 57.07 56.64 2ibk s TYR 233 Cb 0.11 -3.15 0.43 0.00 0.35 0.00 0.00 41.96 39.70 2ibk s TYR 233 CO 0.14 -0.10 1.34 -1.71 -1.34 0.00 0.00 175.55 173.89 2ibk n ASN 234 N 4.34 -0.72 -4.72 4.32 5.15 -1.26 -4.78 115.26 117.58 2ibk n ASN 234 Ca 0.07 -2.33 -0.43 0.00 -0.60 0.00 0.00 54.58 51.30 2ibk n ASN 234 Cb 0.50 0.44 -0.02 0.00 -0.53 0.00 0.00 39.78 40.17 2ibk n ASN 234 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ibk n GLU 235 N -0.90 2.53 -2.29 1.20 -0.58 -1.26 -4.95 120.64 114.40 2ibk n GLU 235 Ca -0.06 0.90 -0.39 0.00 -0.42 0.00 0.00 57.16 57.20 2ibk n GLU 235 Cb 0.85 -2.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.04 2ibk n GLU 235 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ibk s PRO 236 N -0.39 4.17 -0.17 3.49 0.04 -1.26 -4.66 135.00 136.22 2ibk s PRO 236 Ca 0.66 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2ibk s PRO 236 Cb -0.54 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2ibk s PRO 236 CO 0.48 -0.23 1.45 0.42 0.04 0.00 0.00 177.00 179.15 2ibk s ILE 237 N -1.35 3.96 0.13 0.56 1.09 -1.26 -4.99 121.20 119.34 2ibk s ILE 237 Ca 0.54 1.13 0.04 0.00 -1.10 0.00 0.00 60.65 61.26 2ibk s ILE 237 Cb -0.32 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 2ibk s ILE 237 CO 0.41 -0.21 -0.09 0.00 -0.10 0.00 0.00 174.94 174.94 2ibk s ARG 238 N 4.02 0.98 0.10 2.79 1.70 -1.26 -4.80 118.95 122.47 2ibk s ARG 238 Ca 0.63 -1.39 -0.31 0.00 -0.47 0.00 0.00 55.73 54.19 2ibk s ARG 238 Cb -0.24 -0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 33.56 2ibk s ARG 238 CO 0.23 0.05 1.34 0.99 -1.08 0.00 0.00 175.30 176.83 2ibk s THR 239 N -3.32 3.50 -0.10 4.99 2.01 -1.26 -4.23 115.64 117.24 2ibk s THR 239 Ca 0.14 1.08 -0.12 0.00 0.31 0.00 0.00 61.69 63.10 2ibk s THR 239 Cb 0.03 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2ibk s THR 239 CO -0.01 0.09 0.27 -0.13 -0.69 0.00 0.00 174.62 174.15 2ibk s ARG 240 N 1.06 3.87 -0.16 4.92 0.52 -1.26 -5.04 118.95 122.87 2ibk s ARG 240 Ca 0.63 0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.95 2ibk s ARG 240 Cb -0.35 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 31.84 2ibk s ARG 240 CO 0.30 0.57 -0.14 0.08 0.02 0.00 0.00 175.30 176.13 2ibk s VAL 241 N -0.54 2.76 0.15 3.52 1.01 -1.26 -4.96 120.40 121.08 2ibk s VAL 241 Ca 0.18 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 2ibk s VAL 241 Cb -0.14 -2.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.96 2ibk s VAL 241 CO 0.07 0.51 1.81 -0.60 0.00 0.00 0.00 175.10 176.89 2ibk s ARG 242 N 0.82 4.13 0.14 2.72 3.52 -1.26 -4.86 118.95 124.15 2ibk s ARG 242 Ca -0.05 2.62 0.22 0.00 -0.13 0.00 0.00 55.73 58.39 2ibk s ARG 242 Cb -0.15 -3.45 -0.09 0.00 -1.56 0.00 0.00 34.95 29.70 2ibk s ARG 242 CO 0.00 -0.83 0.90 1.63 -0.81 0.00 0.00 175.30 176.19 2ibk n LYS 243 N 5.23 0.62 -3.79 5.12 4.76 -1.26 -4.95 118.16 123.88 2ibk n LYS 243 Ca 0.17 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2ibk n LYS 243 Cb 0.37 -1.76 -0.08 0.00 -1.84 0.00 0.00 35.03 31.72 2ibk n LYS 243 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ibk s SER 244 N -5.21 -0.09 -0.03 4.39 1.04 -1.26 -3.53 113.70 109.01 2ibk s SER 244 Ca -0.02 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 2ibk s SER 244 Cb 0.10 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2ibk s SER 244 CO 0.82 -0.51 0.05 -0.63 0.98 0.00 0.00 173.24 173.95 2ibk s ILE 245 N -1.94 -0.04 0.34 -1.02 1.01 0.56 -4.96 121.20 115.14 2ibk s ILE 245 Ca -0.10 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2ibk s ILE 245 Cb -0.03 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 2ibk s ILE 245 CO 0.00 0.06 0.38 0.61 0.00 0.00 0.00 174.94 176.00 2ibk n GLY 246 N 3.87 2.52 3.01 6.18 0.00 -1.26 -0.27 105.19 119.23 2ibk n GLY 246 Ca -0.23 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 2ibk n GLY 246 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ibk s ARG 247 N -3.10 0.16 -0.10 1.61 6.06 -0.19 -4.90 118.95 118.49 2ibk s ARG 247 Ca 0.35 0.61 0.03 0.00 -2.50 0.00 0.00 55.73 54.21 2ibk s ARG 247 Cb 0.01 -0.11 0.01 0.00 0.06 0.00 0.00 34.95 34.92 2ibk s ARG 247 CO 0.25 -0.22 -0.18 -1.50 -2.50 0.00 0.00 175.30 171.15 2ibk s ILE 248 N 1.78 1.67 0.04 4.11 -1.16 -1.26 -1.13 121.20 125.24 2ibk s ILE 248 Ca -0.04 -0.77 0.09 0.00 -0.51 0.00 0.00 60.65 59.42 2ibk s ILE 248 Cb -0.11 -1.49 -0.03 0.00 0.61 0.00 0.00 42.46 41.44 2ibk s ILE 248 CO -0.08 0.47 -0.25 0.68 -2.81 0.00 0.00 174.94 172.96 2ibk s VAL 249 N 0.71 2.00 -0.04 4.00 -7.23 -0.99 -4.98 120.40 113.86 2ibk s VAL 249 Ca -0.12 -1.32 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 2ibk s VAL 249 Cb -0.16 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2ibk s VAL 249 CO 0.03 0.33 0.64 -0.89 -0.31 0.00 0.00 175.10 174.90 2ibk s THR 250 N -0.79 4.99 0.40 5.32 2.01 -1.26 -1.86 115.64 124.45 2ibk s THR 250 Ca 0.10 1.33 -0.12 0.00 0.31 0.00 0.00 61.69 63.32 2ibk s THR 250 Cb -0.10 -3.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 2ibk s THR 250 CO 0.02 0.32 0.78 -0.04 -0.69 0.00 0.00 174.62 175.01 2ibk s MET 251 N 0.39 3.82 0.31 4.92 -1.94 -0.87 -4.97 119.30 120.96 2ibk s MET 251 Ca 0.34 0.53 0.02 0.00 -1.71 0.00 0.00 55.69 54.87 2ibk s MET 251 Cb -0.18 -2.38 0.58 0.00 2.01 0.00 0.00 34.83 34.86 2ibk s MET 251 CO 0.17 -0.02 1.89 -0.22 -0.01 0.00 0.00 175.02 176.83 2ibk h LYS 252 N 1.38 0.95 -3.02 2.03 1.63 -1.97 -3.44 116.57 114.12 2ibk h LYS 252 Ca -0.47 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.15 2ibk h LYS 252 Cb 1.19 -0.21 -0.20 0.00 -0.60 0.00 0.00 32.23 32.40 2ibk h LYS 252 CO 0.64 0.63 -0.27 -0.98 -3.45 0.00 0.00 179.45 176.01 2ibk s ARG 253 N -5.88 0.66 0.20 1.90 1.70 -1.26 -5.02 118.95 111.25 2ibk s ARG 253 Ca -0.11 -0.17 -0.31 0.00 -0.47 0.00 0.00 55.73 54.66 2ibk s ARG 253 Cb 0.20 0.29 -0.11 0.00 -0.57 0.00 0.00 34.95 34.77 2ibk s ARG 253 CO 0.80 -0.18 1.63 -0.80 -1.08 0.00 0.00 175.30 175.67 2ibk s ASN 254 N -1.28 6.48 0.18 -2.89 -0.87 -1.26 -4.95 114.94 110.34 2ibk s ASN 254 Ca -0.13 2.77 -0.10 0.00 -1.57 0.00 0.00 52.86 53.83 2ibk s ASN 254 Cb -0.05 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.57 2ibk s ASN 254 CO 0.04 -0.89 0.32 -0.55 -2.57 0.00 0.00 177.10 173.45 2ibk s SER 255 N 1.05 0.00 0.00 -1.22 0.15 -0.54 -4.89 113.70 108.25 2ibk s SER 255 Ca 0.71 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2ibk s SER 255 Cb -0.47 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2ibk s SER 255 CO 0.34 -0.93 0.87 -2.11 1.20 0.00 0.00 173.24 172.61 2ibk n ARG 256 N -0.25 0.00 -3.21 5.44 1.85 -1.26 -0.87 116.66 118.36 2ibk n ARG 256 Ca -0.07 -0.81 -0.44 0.00 -1.00 0.00 0.00 57.85 55.54 2ibk n ARG 256 Cb 0.63 -0.42 -0.07 0.00 -1.05 0.00 0.00 32.46 31.55 2ibk n ARG 256 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2ibk s ASN 257 N -0.76 6.21 0.31 2.89 3.84 -1.26 -4.97 114.94 121.20 2ibk s ASN 257 Ca 0.00 -0.95 0.01 0.00 0.21 0.00 0.00 52.86 52.13 2ibk s ASN 257 Cb 0.00 -2.27 0.73 0.00 -0.55 0.00 0.00 41.25 39.17 2ibk s ASN 257 CO 0.00 -0.82 1.57 0.25 -2.79 0.00 0.00 177.10 175.32 2ibk h LEU 258 N 9.48 -0.49 -1.48 3.21 5.85 -1.99 0.19 115.31 130.08 2ibk h LEU 258 Ca -0.27 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2ibk h LEU 258 Cb 1.10 0.49 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 2ibk h LEU 258 CO 0.93 -0.35 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.44 2ibk h GLU 259 N 0.01 0.00 0.14 1.25 4.57 -2.00 0.22 114.58 118.77 2ibk h GLU 259 Ca 0.59 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.48 2ibk h GLU 259 Cb 1.20 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2ibk h GLU 259 CO -0.92 0.16 -1.26 0.93 -1.18 0.00 0.00 179.01 176.75 2ibk h GLU 260 N 0.00 0.43 -0.11 1.92 5.08 -1.06 -3.35 114.58 117.49 2ibk h GLU 260 Ca -0.00 -0.65 -0.19 0.00 -1.00 0.00 0.00 59.36 57.52 2ibk h GLU 260 Cb 0.56 0.23 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2ibk h GLU 260 CO 0.02 1.29 -0.67 0.82 -1.00 0.00 0.00 179.01 179.47 2ibk h ILE 261 N 0.15 1.32 -0.89 3.13 2.04 -0.99 -3.38 117.51 118.90 2ibk h ILE 261 Ca -0.17 -1.94 0.14 0.00 1.00 0.00 0.00 64.86 63.89 2ibk h ILE 261 Cb 1.95 2.15 -0.14 0.00 -0.74 0.00 0.00 36.82 40.04 2ibk h ILE 261 CO 0.22 0.60 -0.35 0.29 0.00 0.00 0.00 178.15 178.91 2ibk n LYS 262 N -4.07 -0.21 -0.12 2.37 5.02 0.73 -1.46 118.16 120.42 2ibk n LYS 262 Ca -0.08 1.37 -0.05 0.00 -2.02 0.00 0.00 58.31 57.53 2ibk n LYS 262 Cb 0.69 -2.04 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 2ibk n LYS 262 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2ibk h PRO 263 N 0.00 -0.05 -0.09 1.97 0.11 -1.78 0.16 132.00 132.31 2ibk h PRO 263 Ca 0.31 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.45 2ibk h PRO 263 Cb 0.53 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2ibk h PRO 263 CO -0.89 -0.04 -0.05 1.88 -0.21 0.00 0.00 178.00 178.70 2ibk h TYR 264 N -0.06 -0.12 -0.03 0.65 0.05 -1.50 -0.30 116.97 115.67 2ibk h TYR 264 Ca 0.20 0.01 0.02 0.00 0.05 0.00 0.00 58.73 59.01 2ibk h TYR 264 Cb 0.35 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 2ibk h TYR 264 CO -0.39 -0.08 -0.08 1.25 -1.05 0.00 0.00 178.16 177.81 2ibk h LEU 265 N -0.05 -0.23 -0.81 3.88 5.85 -0.86 0.86 115.31 123.95 2ibk h LEU 265 Ca 0.06 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2ibk h LEU 265 Cb 0.13 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2ibk h LEU 265 CO -0.12 -0.11 0.50 -0.26 -0.34 0.00 0.00 178.44 178.11 2ibk h PHE 266 N -0.12 0.93 -0.73 1.25 0.04 -0.51 0.14 116.94 117.94 2ibk h PHE 266 Ca 0.04 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 2ibk h PHE 266 Cb 0.18 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2ibk h PHE 266 CO -0.16 0.49 0.22 0.00 -0.60 0.00 0.00 178.31 178.26 2ibk h ARG 267 N 0.94 1.14 -0.89 1.51 3.08 -0.69 0.19 114.38 119.65 2ibk h ARG 267 Ca 0.35 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2ibk h ARG 267 Cb 0.12 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 2ibk h ARG 267 CO -0.16 0.97 0.59 0.00 -1.07 0.00 0.00 179.97 180.31 2ibk h ALA 268 N 1.14 1.13 -0.11 0.04 0.00 0.97 0.05 119.26 122.49 2ibk h ALA 268 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2ibk h ALA 268 Cb 0.32 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ibk h ALA 268 CO -0.01 0.53 -0.05 0.82 0.00 0.00 0.00 179.25 180.54 2ibk h ILE 269 N 1.20 1.32 -0.92 0.00 2.04 -0.22 -0.31 117.51 120.63 2ibk h ILE 269 Ca 0.33 -1.08 0.09 0.00 1.00 0.00 0.00 64.86 65.19 2ibk h ILE 269 Cb -0.13 1.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 2ibk h ILE 269 CO -0.07 0.31 0.59 -0.08 0.00 0.00 0.00 178.15 178.90 2ibk h GLU 270 N -0.13 0.95 0.00 2.37 4.57 -0.29 -0.29 114.58 121.75 2ibk h GLU 270 Ca 0.02 -0.06 -0.20 0.00 -1.18 0.00 0.00 59.36 57.94 2ibk h GLU 270 Cb 0.51 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2ibk h GLU 270 CO 0.02 0.63 -1.06 0.93 -1.18 0.00 0.00 179.01 178.34 2ibk h GLU 271 N 0.98 0.00 -0.49 1.92 5.08 -0.95 -3.25 114.58 117.86 2ibk h GLU 271 Ca 0.42 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.70 2ibk h GLU 271 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2ibk h GLU 271 CO -0.18 0.77 -0.01 0.77 -1.00 0.00 0.00 179.01 179.37 2ibk h SER 272 N 0.00 0.86 0.11 1.42 0.02 -0.18 -1.82 113.55 113.96 2ibk h SER 272 Ca -0.07 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2ibk h SER 272 Cb 1.73 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 2ibk h SER 272 CO 0.10 0.96 -0.11 1.88 -1.14 0.00 0.00 176.83 178.53 2ibk h TYR 273 N 0.74 0.00 -0.09 3.45 0.05 -1.15 0.32 116.97 120.29 2ibk h TYR 273 Ca 0.14 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.74 2ibk h TYR 273 Cb 0.52 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.27 2ibk h TYR 273 CO 0.04 0.11 -0.63 -0.92 -1.05 0.00 0.00 178.16 175.71 2ibk h TYR 274 N 0.00 0.80 0.00 4.88 -0.00 -1.52 -3.00 116.97 118.12 2ibk h TYR 274 Ca -0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 58.73 58.36 2ibk h TYR 274 Cb 0.19 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 2ibk h TYR 274 CO 0.00 1.17 0.00 1.57 -0.00 0.00 0.00 178.16 180.90 2ibk h LYS 275 N 0.20 0.00 -0.09 1.82 2.10 -0.38 -1.50 116.57 118.71 2ibk h LYS 275 Ca -0.05 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 2ibk h LYS 275 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2ibk h LYS 275 CO 0.13 0.00 -0.10 -0.07 -2.00 0.00 0.00 179.45 177.40 2ibk h LEU 276 N 0.00 0.13 -3.64 7.07 3.38 -0.27 -3.47 115.31 118.51 2ibk h LEU 276 Ca 0.00 -0.02 -0.44 0.00 0.09 0.00 0.00 57.88 57.51 2ibk h LEU 276 Cb 0.50 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2ibk h LEU 276 CO 0.00 0.26 -1.18 -0.67 0.09 0.00 0.00 178.44 176.94 2ibk n ASP 277 N -4.34 -5.15 0.00 -0.43 2.03 -0.57 -1.63 116.55 106.47 2ibk n ASP 277 Ca -0.01 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.79 2ibk n ASP 277 Cb 0.22 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.04 2ibk n ASP 277 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ibk n LYS 278 N -1.19 0.00 -2.15 -0.67 4.76 -1.26 -5.00 118.16 112.65 2ibk n LYS 278 Ca -0.19 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.84 2ibk n LYS 278 Cb 0.69 -0.31 -0.03 0.00 -1.84 0.00 0.00 35.03 33.54 2ibk n LYS 278 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ibk s ARG 279 N -0.05 4.36 -0.29 1.97 0.52 -0.64 -5.00 118.95 119.81 2ibk s ARG 279 Ca 0.00 2.15 -0.04 0.00 -0.52 0.00 0.00 55.73 57.32 2ibk s ARG 279 Cb 0.00 -3.14 0.03 0.00 0.52 0.00 0.00 34.95 32.36 2ibk s ARG 279 CO 0.00 -0.26 0.03 0.42 0.02 0.00 0.00 175.30 175.51 2ibk s ILE 280 N -0.30 3.47 0.26 1.52 -1.09 -1.26 -4.87 121.20 118.93 2ibk s ILE 280 Ca 0.55 -0.98 -0.14 0.00 -2.23 0.00 0.00 60.65 57.85 2ibk s ILE 280 Cb -0.39 -2.85 -0.08 0.00 -1.58 0.00 0.00 42.46 37.56 2ibk s ILE 280 CO 0.43 0.03 0.66 -2.16 -1.23 0.00 0.00 174.94 172.68 2ibk s PRO 281 N 1.39 3.97 0.00 2.79 0.04 -1.26 -0.72 135.00 141.21 2ibk s PRO 281 Ca -0.00 0.56 0.14 0.00 0.04 0.00 0.00 61.00 61.73 2ibk s PRO 281 Cb -0.18 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2ibk s PRO 281 CO 0.00 0.27 0.70 1.63 0.04 0.00 0.00 177.00 179.63 2ibk n LYS 282 N -0.03 2.13 -4.45 4.56 5.02 -0.54 0.43 118.16 125.27 2ibk n LYS 282 Ca 0.01 -0.45 -0.22 0.00 -2.02 0.00 0.00 58.31 55.63 2ibk n LYS 282 Cb 0.52 -1.18 -0.13 0.00 -0.02 0.00 0.00 35.03 34.22 2ibk n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ibk s ALA 283 N -1.93 1.45 0.02 7.82 0.00 -0.92 0.14 121.76 128.34 2ibk s ALA 283 Ca 0.09 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.10 2ibk s ALA 283 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2ibk s ALA 283 CO 0.43 0.30 -0.04 -1.50 0.00 0.00 0.00 175.76 174.95 2ibk s ILE 284 N -0.87 0.27 -0.02 0.00 2.07 -0.64 -2.08 121.20 119.92 2ibk s ILE 284 Ca 0.04 -0.58 0.01 0.00 -1.41 0.00 0.00 60.65 58.71 2ibk s ILE 284 Cb -0.08 -0.32 0.01 0.00 0.13 0.00 0.00 42.46 42.20 2ibk s ILE 284 CO 0.02 -0.21 -0.03 -1.00 -1.91 0.00 0.00 174.94 171.81 2ibk s HIS 285 N -0.79 0.43 -0.23 3.50 3.76 0.13 -0.93 115.29 121.16 2ibk s HIS 285 Ca -0.06 -0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 54.67 2ibk s HIS 285 Cb -0.06 -0.38 -0.05 0.00 1.11 0.00 0.00 32.58 33.20 2ibk s HIS 285 CO -0.00 -0.08 0.15 0.08 -0.85 0.00 0.00 174.74 174.03 2ibk s VAL 286 N 0.46 5.32 -0.20 -0.90 1.01 0.11 0.22 120.40 126.43 2ibk s VAL 286 Ca -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 2ibk s VAL 286 Cb -0.08 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2ibk s VAL 286 CO -0.01 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 174.73 2ibk s VAL 287 N 0.86 3.49 -0.19 2.92 1.01 0.37 -1.87 120.40 126.99 2ibk s VAL 287 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2ibk s VAL 287 Cb -0.13 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2ibk s VAL 287 CO 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 2ibk s ALA 288 N 1.12 2.61 -0.43 5.51 0.00 0.36 0.12 121.76 131.05 2ibk s ALA 288 Ca 0.02 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 2ibk s ALA 288 Cb -0.15 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.55 2ibk s ALA 288 CO -0.00 -0.31 0.57 0.08 0.00 0.00 0.00 175.76 176.10 2ibk s VAL 289 N 1.26 4.92 1.07 0.00 1.01 0.12 -1.44 120.40 127.34 2ibk s VAL 289 Ca 0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 2ibk s VAL 289 Cb -0.14 -4.15 0.23 0.00 0.00 0.00 0.00 36.38 32.31 2ibk s VAL 289 CO -0.05 -0.55 1.13 0.42 0.00 0.00 0.00 175.10 176.05 2ibk s THR 290 N 2.58 1.82 0.35 3.92 -4.23 -0.69 0.41 115.64 119.81 2ibk s THR 290 Ca 0.19 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2ibk s THR 290 Cb -0.15 -2.59 0.25 0.00 1.34 0.00 0.00 72.50 71.34 2ibk s THR 290 CO 0.17 0.00 1.99 1.05 -0.54 0.00 0.00 174.62 177.29 2ibk h GLU 291 N -2.11 0.78 -0.85 3.99 4.11 -0.39 -0.99 114.58 119.12 2ibk h GLU 291 Ca -0.49 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2ibk h GLU 291 Cb 1.31 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2ibk h GLU 291 CO 0.46 0.54 0.00 -0.40 0.07 0.00 0.00 179.01 179.68 2ibk n ASP 292 N -4.42 2.37 -1.77 3.06 5.75 -1.26 -4.87 116.55 115.41 2ibk n ASP 292 Ca 0.05 -2.27 -0.21 0.00 -0.01 0.00 0.00 54.79 52.36 2ibk n ASP 292 Cb 0.07 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 39.54 2ibk n ASP 292 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2ibk n LEU 293 N 0.18 -1.61 -4.91 -2.12 4.77 -0.37 -5.01 117.00 107.93 2ibk n LEU 293 Ca 0.08 0.41 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 2ibk n LEU 293 Cb 0.52 -2.89 0.06 0.00 -2.33 0.00 0.00 43.42 38.78 2ibk n LEU 293 CO 0.10 -0.92 0.66 -0.62 -1.33 0.00 0.00 177.39 175.27 2ibk s ASP 294 N -2.63 5.02 -0.08 -1.43 -1.08 -1.26 -4.80 116.67 110.41 2ibk s ASP 294 Ca 0.00 0.70 0.05 0.00 -0.52 0.00 0.00 52.55 52.77 2ibk s ASP 294 Cb 0.00 -1.41 -0.01 0.00 -1.46 0.00 0.00 42.92 40.04 2ibk s ASP 294 CO 0.00 -1.50 -0.23 -0.63 0.52 0.00 0.00 175.17 173.33 2ibk s ILE 295 N -3.28 2.20 -0.04 4.11 -1.09 -1.26 -1.70 121.20 120.14 2ibk s ILE 295 Ca 0.59 -1.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 2ibk s ILE 295 Cb -0.11 -1.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.95 2ibk s ILE 295 CO 0.47 0.56 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.93 2ibk s VAL 296 N 0.02 1.04 0.01 2.92 1.01 -0.52 -5.01 120.40 119.87 2ibk s VAL 296 Ca -0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2ibk s VAL 296 Cb -0.15 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2ibk s VAL 296 CO 0.05 0.32 0.08 -0.94 0.00 0.00 0.00 175.10 174.62 2ibk s SER 297 N 0.28 0.11 -0.01 3.32 1.04 -1.26 -0.48 113.70 116.69 2ibk s SER 297 Ca -0.06 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2ibk s SER 297 Cb -0.11 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.19 2ibk s SER 297 CO 0.02 -0.36 -0.04 -0.13 0.98 0.00 0.00 173.24 173.71 2ibk s ARG 298 N -1.51 0.43 0.24 4.02 1.81 -0.78 -4.97 118.95 118.18 2ibk s ARG 298 Ca -0.14 -0.11 -0.00 0.00 -1.72 0.00 0.00 55.73 53.75 2ibk s ARG 298 Cb -0.08 -0.45 -0.03 0.00 -0.45 0.00 0.00 34.95 33.94 2ibk s ARG 298 CO 0.00 0.03 0.21 0.20 -0.68 0.00 0.00 175.30 175.07 2ibk s GLY 299 N 0.24 1.54 -0.10 -3.53 0.00 -1.26 0.05 107.32 104.27 2ibk s GLY 299 Ca -0.02 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.87 2ibk s GLY 299 CO -0.00 -1.32 0.35 -1.60 0.00 0.00 0.00 173.10 170.52 2ibk s ARG 300 N -3.94 0.50 -0.10 2.90 3.52 -0.11 -4.98 118.95 116.74 2ibk s ARG 300 Ca 0.37 0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 56.26 2ibk s ARG 300 Cb 0.05 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 2ibk s ARG 300 CO 0.15 -0.09 -0.01 0.99 -0.81 0.00 0.00 175.30 175.53 2ibk s THR 301 N -0.26 4.16 0.14 4.11 2.01 -1.26 -1.62 115.64 122.92 2ibk s THR 301 Ca -0.04 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.73 2ibk s THR 301 Cb -0.03 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2ibk s THR 301 CO 0.02 0.58 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.15 2ibk s PHE 302 N -0.64 2.87 -2.00 4.92 0.40 0.37 -4.98 117.98 118.91 2ibk s PHE 302 Ca 0.10 -0.11 0.13 0.00 -0.60 0.00 0.00 56.93 56.45 2ibk s PHE 302 Cb -0.12 -1.43 0.76 0.00 0.51 0.00 0.00 43.02 42.74 2ibk s PHE 302 CO 0.02 0.49 1.43 -0.35 0.70 0.00 0.00 175.22 177.51 2ibk n PRO 303 N 0.23 0.92 -4.10 0.24 -0.04 -1.26 -4.78 135.00 126.22 2ibk n PRO 303 Ca -0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.21 2ibk n PRO 303 Cb 0.54 -1.22 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 2ibk n PRO 303 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2ibk s HIS 304 N -2.00 1.06 0.54 0.54 -3.43 -1.26 -5.15 115.29 105.59 2ibk s HIS 304 Ca 0.19 -1.28 -0.20 0.00 -0.80 0.00 0.00 55.06 52.97 2ibk s HIS 304 Cb 0.09 -0.11 -0.06 0.00 -1.43 0.00 0.00 32.58 31.06 2ibk s HIS 304 CO 0.15 -1.10 1.13 0.20 -2.00 0.00 0.00 174.74 173.12 2ibk s GLY 305 N -3.23 2.65 -0.27 -1.38 0.00 -1.26 -4.36 107.32 99.47 2ibk s GLY 305 Ca 0.31 0.84 -0.13 0.00 0.00 0.00 0.00 44.72 45.73 2ibk s GLY 305 CO 0.20 1.20 0.29 -0.42 0.00 0.00 0.00 173.10 174.37 2ibk s ILE 306 N -1.75 5.24 0.60 0.90 1.01 0.17 -4.95 121.20 122.42 2ibk s ILE 306 Ca 0.72 0.39 -0.11 0.00 0.00 0.00 0.00 60.65 61.66 2ibk s ILE 306 Cb -0.24 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2ibk s ILE 306 CO 0.28 0.21 1.00 -0.94 0.00 0.00 0.00 174.94 175.49 2ibk s SER 307 N 1.63 6.26 0.27 3.58 1.04 -1.26 -4.67 113.70 120.54 2ibk s SER 307 Ca 0.12 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 57.91 2ibk s SER 307 Cb -0.16 -2.45 0.48 0.00 0.10 0.00 0.00 66.02 63.99 2ibk s SER 307 CO 0.10 -0.83 1.83 0.50 0.98 0.00 0.00 173.24 175.82 2ibk h LYS 308 N -0.19 0.89 -0.30 4.02 3.64 -1.98 0.58 116.57 123.23 2ibk h LYS 308 Ca -0.44 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2ibk h LYS 308 Cb 1.19 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2ibk h LYS 308 CO 0.62 0.59 0.09 0.93 -2.27 0.00 0.00 179.45 179.41 2ibk h GLU 309 N 0.92 0.47 -0.40 1.90 3.07 -1.99 0.16 114.58 118.70 2ibk h GLU 309 Ca 0.45 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 2ibk h GLU 309 Cb 0.42 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 2ibk h GLU 309 CO -0.26 0.52 0.05 1.15 -1.40 0.00 0.00 179.01 179.08 2ibk h THR 310 N 0.33 1.20 -0.40 1.13 2.02 -1.56 -2.14 112.91 113.49 2ibk h THR 310 Ca 0.10 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2ibk h THR 310 Cb 0.25 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2ibk h THR 310 CO -0.00 0.27 0.19 0.00 0.37 0.00 0.00 175.52 176.35 2ibk h ALA 311 N 1.47 0.52 -0.16 6.16 0.00 0.83 -0.95 119.26 127.13 2ibk h ALA 311 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2ibk h ALA 311 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2ibk h ALA 311 CO 0.00 0.08 -0.05 1.88 0.00 0.00 0.00 179.25 181.16 2ibk h TYR 312 N 0.51 -0.12 -0.20 0.00 0.99 -0.08 -0.46 116.97 117.61 2ibk h TYR 312 Ca 0.14 0.02 -0.21 0.00 2.00 0.00 0.00 58.73 60.67 2ibk h TYR 312 Cb 0.13 0.08 0.01 0.00 1.00 0.00 0.00 36.73 37.94 2ibk h TYR 312 CO -0.01 -0.09 -0.69 0.66 -0.00 0.00 0.00 178.16 178.03 2ibk h SER 313 N -0.02 0.95 -0.31 3.88 4.64 -1.36 -3.14 113.55 118.19 2ibk h SER 313 Ca 0.08 -0.60 -0.11 0.00 -0.47 0.00 0.00 61.79 60.69 2ibk h SER 313 Cb 0.14 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2ibk h SER 313 CO -0.17 1.39 -0.20 -0.08 -0.87 0.00 0.00 176.83 176.89 2ibk h GLU 314 N 0.58 0.78 -0.74 4.77 4.57 -1.11 -2.84 114.58 120.59 2ibk h GLU 314 Ca -0.03 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2ibk h GLU 314 Cb 1.32 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 2ibk h GLU 314 CO 0.15 0.92 0.46 0.66 -1.18 0.00 0.00 179.01 180.02 2ibk h SER 315 N 0.69 0.88 -0.71 1.04 4.64 -1.12 0.56 113.55 119.52 2ibk h SER 315 Ca 0.10 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2ibk h SER 315 Cb 0.71 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2ibk h SER 315 CO 0.05 0.66 0.38 0.58 -0.87 0.00 0.00 176.83 177.64 2ibk h VAL 316 N 1.01 1.22 -0.58 0.95 2.07 -1.48 0.52 116.25 119.96 2ibk h VAL 316 Ca 0.27 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2ibk h VAL 316 Cb -0.06 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2ibk h VAL 316 CO -0.05 0.25 0.23 0.11 0.02 0.00 0.00 177.57 178.13 2ibk h LYS 317 N 0.98 0.87 -0.47 1.57 1.57 -1.15 -0.64 116.57 119.31 2ibk h LYS 317 Ca 0.25 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2ibk h LYS 317 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2ibk h LYS 317 CO -0.04 0.75 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.44 2ibk h LEU 318 N 0.81 0.82 -1.22 2.94 3.38 -0.21 -1.58 115.31 120.25 2ibk h LEU 318 Ca 0.19 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2ibk h LEU 318 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ibk h LEU 318 CO -0.02 0.93 -0.38 0.25 0.09 0.00 0.00 178.44 179.31 2ibk h LEU 319 N 0.76 0.00 -0.48 1.67 5.85 0.40 -1.96 115.31 121.54 2ibk h LEU 319 Ca 0.13 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2ibk h LEU 319 Cb 0.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2ibk h LEU 319 CO 0.04 0.38 -0.66 1.56 -0.34 0.00 0.00 178.44 179.42 2ibk h GLN 320 N 0.00 0.40 -0.00 1.25 4.20 -0.68 -1.72 115.11 118.56 2ibk h GLN 320 Ca -0.00 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.32 2ibk h GLN 320 Cb 0.70 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2ibk h GLN 320 CO 0.05 0.92 -0.41 -0.22 -0.67 0.00 0.00 178.83 178.50 2ibk h LYS 321 N 0.28 0.01 0.27 1.46 3.64 -0.61 0.01 116.57 121.64 2ibk h LYS 321 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2ibk h LYS 321 Cb 1.22 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ibk h LYS 321 CO 0.11 0.42 -0.13 0.82 -2.27 0.00 0.00 179.45 178.40 2ibk h ILE 322 N 0.01 0.39 -0.50 2.00 2.04 -1.09 -1.37 117.51 118.99 2ibk h ILE 322 Ca -0.00 -0.86 0.13 0.00 1.00 0.00 0.00 64.86 65.13 2ibk h ILE 322 Cb 0.74 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2ibk h ILE 322 CO 0.05 0.10 0.35 -0.07 0.00 0.00 0.00 178.15 178.59 2ibk h LEU 323 N -1.01 0.09 -0.09 1.44 3.38 -1.26 0.29 115.31 118.15 2ibk h LEU 323 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2ibk h LEU 323 Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ibk h LEU 323 CO 0.06 0.05 -0.39 -0.08 0.09 0.00 0.00 178.44 178.17 2ibk h GLU 324 N 0.09 0.42 -0.00 1.13 4.81 -0.98 -3.34 114.58 116.71 2ibk h GLU 324 Ca 0.24 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2ibk h GLU 324 Cb 0.82 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2ibk h GLU 324 CO -0.02 0.97 -0.45 0.39 -0.73 0.00 0.00 179.01 179.17 2ibk n GLU 325 N -4.34 0.14 -4.02 1.92 1.02 -0.52 -4.80 120.64 110.04 2ibk n GLU 325 Ca -0.08 -0.08 -0.19 0.00 -0.02 0.00 0.00 57.16 56.79 2ibk n GLU 325 Cb 0.54 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 2ibk n GLU 325 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ibk s ASP 326 N -2.92 0.84 0.00 1.62 -1.08 0.94 -5.05 116.67 111.03 2ibk s ASP 326 Ca 0.13 -0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 2ibk s ASP 326 Cb 0.18 -0.36 0.64 0.00 -1.46 0.00 0.00 42.92 41.92 2ibk s ASP 326 CO 0.67 -0.09 1.50 -1.84 0.52 0.00 0.00 175.17 175.92 2ibk n GLU 327 N 4.24 0.31 -1.26 4.34 0.28 -1.26 -4.32 120.64 122.97 2ibk n GLU 327 Ca -0.23 -0.17 -0.30 0.00 -0.16 0.00 0.00 57.16 56.30 2ibk n GLU 327 Cb 0.51 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 32.00 2ibk n GLU 327 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2ibk s ARG 328 N -2.81 1.57 0.22 3.44 0.52 -1.26 -5.01 118.95 115.62 2ibk s ARG 328 Ca 0.16 0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 56.00 2ibk s ARG 328 Cb 0.18 -1.84 -0.08 0.00 0.52 0.00 0.00 34.95 33.73 2ibk s ARG 328 CO 0.63 -2.04 0.81 0.15 0.02 0.00 0.00 175.30 174.87 2ibk s LYS 329 N -4.95 4.53 -0.17 3.54 1.02 -1.26 -4.92 119.74 117.53 2ibk s LYS 329 Ca 0.63 1.16 -0.22 0.00 0.02 0.00 0.00 55.97 57.56 2ibk s LYS 329 Cb -0.17 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2ibk s LYS 329 CO 0.56 0.47 0.67 0.42 -0.92 0.00 0.00 175.35 176.56 2ibk s ILE 330 N -1.33 5.00 -0.18 2.17 1.01 -0.05 0.39 121.20 128.21 2ibk s ILE 330 Ca 0.41 1.30 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 2ibk s ILE 330 Cb -0.21 -3.99 -0.14 0.00 0.01 0.00 0.00 42.46 38.13 2ibk s ILE 330 CO 0.25 0.12 0.11 -0.09 0.00 0.00 0.00 174.94 175.34 2ibk h ARG 331 N 7.33 0.00 -6.35 2.79 2.43 -0.23 -1.44 114.38 118.91 2ibk h ARG 331 Ca -0.32 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.22 2ibk h ARG 331 Cb 1.15 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 30.44 2ibk h ARG 331 CO 0.78 0.68 -0.86 1.03 -1.51 0.00 0.00 179.97 180.10 2ibk s ARG 332 N -2.30 1.52 -0.05 0.20 0.52 -0.59 -2.04 118.95 116.22 2ibk s ARG 332 Ca -0.24 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 2ibk s ARG 332 Cb 0.04 -1.68 0.01 0.00 0.52 0.00 0.00 34.95 33.84 2ibk s ARG 332 CO 0.47 0.43 -0.12 -1.50 0.02 0.00 0.00 175.30 174.60 2ibk s ILE 333 N -0.83 1.05 0.26 1.52 1.10 -0.78 0.12 121.20 123.63 2ibk s ILE 333 Ca 0.09 -0.47 -0.04 0.00 -0.51 0.00 0.00 60.65 59.73 2ibk s ILE 333 Cb -0.09 -0.94 -0.02 0.00 0.15 0.00 0.00 42.46 41.56 2ibk s ILE 333 CO 0.02 0.32 0.32 -0.83 -2.11 0.00 0.00 174.94 172.66 2ibk s GLY 334 N 0.39 1.29 0.10 1.50 0.00 0.32 -2.35 107.32 108.58 2ibk s GLY 334 Ca -0.08 -1.47 0.06 0.00 0.00 0.00 0.00 44.72 43.23 2ibk s GLY 334 CO 0.02 -1.10 -0.15 0.54 0.00 0.00 0.00 173.10 172.41 2ibk s VAL 335 N -3.81 1.29 -0.01 1.40 0.11 -0.28 0.14 120.40 119.23 2ibk s VAL 335 Ca 0.33 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 2ibk s VAL 335 Cb 0.03 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.53 2ibk s VAL 335 CO 0.15 -0.30 0.00 -0.60 -3.33 0.00 0.00 175.10 171.02 2ibk s ARG 336 N -2.21 0.04 -0.02 1.54 3.52 0.13 -1.02 118.95 120.92 2ibk s ARG 336 Ca 0.04 0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.76 2ibk s ARG 336 Cb -0.07 -0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.18 2ibk s ARG 336 CO 0.03 -0.04 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.16 2ibk s PHE 337 N 0.33 2.35 0.15 5.12 0.08 0.62 0.17 117.98 126.80 2ibk s PHE 337 Ca -0.03 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.54 2ibk s PHE 337 Cb -0.04 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2ibk s PHE 337 CO -0.01 -0.05 0.24 -1.13 -0.10 0.00 0.00 175.22 174.17 2ibk n SER 338 N 2.48 -0.67 -3.43 1.36 3.41 -0.89 -0.33 113.62 115.56 2ibk n SER 338 Ca -0.16 -1.77 -0.21 0.00 -0.26 0.00 0.00 58.87 56.47 2ibk n SER 338 Cb 0.51 1.21 0.05 0.00 -0.26 0.00 0.00 64.21 65.72 2ibk n SER 338 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ibk n LYS 339 N -0.24 -1.73 -2.38 4.33 5.02 -1.23 -2.16 118.16 119.77 2ibk n LYS 339 Ca -0.01 0.74 -0.36 0.00 -2.02 0.00 0.00 58.31 56.66 2ibk n LYS 339 Cb 0.25 -5.03 -0.02 0.00 -0.02 0.00 0.00 35.03 30.21 2ibk n LYS 339 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2ibk s PHE 340 N -3.38 2.94 -2.00 2.13 0.08 -1.26 -1.46 117.98 115.03 2ibk s PHE 340 Ca 0.43 1.57 0.25 0.00 0.12 0.00 0.00 56.93 59.30 2ibk s PHE 340 Cb -0.10 -3.24 1.52 0.00 -0.57 0.00 0.00 43.02 40.63 2ibk s PHE 340 CO 0.80 -1.19 1.88 -0.89 -0.10 0.00 0.00 175.22 175.72