#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jiy s LEU 2 N 0.00 2.86 0.79 0.00 1.43 -1.26 -4.48 118.68 118.01 2jiy s LEU 2 Ca 0.00 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 2jiy s LEU 2 Cb 0.00 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2jiy s LEU 2 CO 0.00 0.25 0.99 0.18 0.23 0.00 0.00 176.35 178.00 2jiy n LEU 3 N 1.40 3.34 0.30 1.79 4.77 -1.26 -4.88 117.00 122.47 2jiy n LEU 3 Ca -0.15 0.58 0.17 0.00 -0.03 0.00 0.00 56.01 56.58 2jiy n LEU 3 Cb 0.52 -1.42 0.96 0.00 -2.33 0.00 0.00 43.42 41.16 2jiy n LEU 3 CO 0.29 -2.13 1.12 0.77 -1.33 0.00 0.00 177.39 176.12 2jiy h SER 4 N -0.73 0.00 -0.28 -1.43 4.64 -2.07 -2.29 113.55 111.39 2jiy h SER 4 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jiy h SER 4 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2jiy h SER 4 CO 0.45 0.01 0.00 2.22 -0.87 0.00 0.00 176.83 178.64 2jiy n PHE 5 N -3.65 0.36 0.09 4.77 1.16 -1.26 -4.73 117.46 114.20 2jiy n PHE 5 Ca -0.03 -0.27 -0.12 0.00 -1.87 0.00 0.00 57.45 55.16 2jiy n PHE 5 Cb 0.10 -0.01 -0.13 0.00 -1.61 0.00 0.00 39.48 37.83 2jiy n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2jiy h GLU 6 N 3.04 0.17 -0.84 3.97 4.81 -1.76 -3.38 114.58 120.59 2jiy h GLU 6 Ca 0.00 -0.29 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2jiy h GLU 6 Cb 0.76 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.19 2jiy h GLU 6 CO 0.00 1.13 0.52 -0.09 -0.73 0.00 0.00 179.01 179.84 2jiy h ARG 7 N 0.05 0.92 -0.00 1.92 2.43 -1.85 -1.35 114.38 116.50 2jiy h ARG 7 Ca -0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2jiy h ARG 7 Cb 1.88 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 31.22 2jiy h ARG 7 CO 0.17 0.61 0.00 1.57 -1.51 0.00 0.00 179.97 180.82 2jiy h LYS 8 N 0.95 0.00 0.00 0.20 2.10 -1.96 -1.19 116.57 116.67 2jiy h LYS 8 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 2jiy h LYS 8 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2jiy h LYS 8 CO -0.17 0.00 -0.75 0.66 -2.00 0.00 0.00 179.45 177.19 2jiy n TYR 9 N -3.10 0.39 -1.90 0.07 4.01 -0.51 -4.61 117.16 111.51 2jiy n TYR 9 Ca -0.03 0.11 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 2jiy n TYR 9 Cb 0.07 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.56 2jiy n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jiy n ARG 10 N -1.99 4.10 -3.46 -0.72 1.74 -0.45 -4.89 116.66 110.99 2jiy n ARG 10 Ca 0.03 -3.16 -0.21 0.00 -0.77 0.00 0.00 57.85 53.75 2jiy n ARG 10 Cb 0.43 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.09 2jiy n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jiy s VAL 11 N 0.13 4.44 0.65 1.55 -7.23 -1.26 -5.08 120.40 113.61 2jiy s VAL 11 Ca 0.54 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 2jiy s VAL 11 Cb 0.16 -3.58 -0.00 0.00 0.56 0.00 0.00 36.38 33.52 2jiy s VAL 11 CO -0.07 -0.28 1.10 -2.84 -0.31 0.00 0.00 175.10 172.70 2jiy s PRO 12 N -4.23 2.87 0.00 4.82 0.02 -1.26 -4.97 135.00 132.25 2jiy s PRO 12 Ca 0.43 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.76 2jiy s PRO 12 Cb -0.10 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2jiy s PRO 12 CO 0.33 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 176.23 2jiy n GLY 13 N -0.73 2.64 0.00 0.52 0.00 -1.26 -5.05 105.19 101.31 2jiy n GLY 13 Ca 0.10 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2jiy n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jiy n GLY 14 N -0.43 0.11 3.78 -0.02 0.00 -1.26 -4.44 105.19 102.93 2jiy n GLY 14 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2jiy n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jiy s THR 15 N -2.00 3.49 -0.17 2.61 -4.23 -1.26 -4.57 115.64 109.51 2jiy s THR 15 Ca 0.00 1.03 0.18 0.00 -1.18 0.00 0.00 61.69 61.71 2jiy s THR 15 Cb 0.00 -3.48 -0.25 0.00 1.34 0.00 0.00 72.50 70.11 2jiy s THR 15 CO 0.00 -0.10 0.20 0.18 -0.54 0.00 0.00 174.62 174.36 2jiy n LEU 16 N -0.67 0.14 -3.86 4.79 4.77 -1.26 -4.89 117.00 116.02 2jiy n LEU 16 Ca 0.08 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 2jiy n LEU 16 Cb 0.50 0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 41.86 2jiy n LEU 16 CO 0.43 0.44 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.88 2jiy s VAL 17 N -2.59 0.04 0.00 4.08 1.01 -1.26 -4.92 120.40 116.76 2jiy s VAL 17 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2jiy s VAL 17 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.39 2jiy s VAL 17 CO 0.83 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.57 2jiy n GLY 18 N 3.24 0.45 7.00 4.51 0.00 -1.26 -4.42 105.19 114.72 2jiy n GLY 18 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2jiy n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jiy n GLY 19 N -2.00 3.86 0.64 -0.02 0.00 -1.26 -1.85 105.19 104.57 2jiy n GLY 19 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2jiy n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jiy n ASN 20 N 6.80 1.98 -0.25 1.61 0.23 -1.26 -4.55 115.26 119.82 2jiy n ASN 20 Ca 0.00 -1.69 -0.02 0.00 -0.53 0.00 0.00 54.58 52.34 2jiy n ASN 20 Cb 0.00 -0.05 0.09 0.00 -2.08 0.00 0.00 39.78 37.74 2jiy n ASN 20 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 2jiy h LEU 21 N 2.93 0.69 -3.15 -4.53 6.46 -1.73 -2.57 115.31 113.41 2jiy h LEU 21 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2jiy h LEU 21 Cb 0.63 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2jiy h LEU 21 CO 0.00 0.47 0.00 0.49 -0.62 0.00 0.00 178.44 178.78 2jiy n PHE 22 N -4.69 0.56 -2.58 1.25 3.01 -1.26 -4.90 117.46 108.84 2jiy n PHE 22 Ca 0.08 -0.91 -0.43 0.00 1.01 0.00 0.00 57.45 57.20 2jiy n PHE 22 Cb 0.12 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 2jiy n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2jiy n ASP 23 N -0.85 4.93 -3.47 4.37 2.03 -0.97 -0.19 116.55 122.39 2jiy n ASP 23 Ca 0.19 -2.92 -0.07 0.00 0.52 0.00 0.00 54.79 52.50 2jiy n ASP 23 Cb 0.78 -1.73 -0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2jiy n ASP 23 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2jiy s PHE 24 N 3.88 -0.06 0.20 -0.67 -0.12 -1.26 -5.00 117.98 114.96 2jiy s PHE 24 Ca 0.52 -0.47 0.09 0.00 -0.05 0.00 0.00 56.93 57.02 2jiy s PHE 24 Cb 0.04 0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 43.14 2jiy s PHE 24 CO 0.06 -1.32 -0.07 -1.58 -0.05 0.00 0.00 175.22 172.26 2jiy s TRP 25 N -3.18 2.66 -0.30 3.49 0.51 -1.26 -0.85 118.94 120.01 2jiy s TRP 25 Ca 0.13 -0.22 0.04 0.00 -2.12 0.00 0.00 56.10 53.93 2jiy s TRP 25 Cb -0.05 -1.26 0.08 0.00 -0.81 0.00 0.00 33.47 31.43 2jiy s TRP 25 CO 0.08 0.55 -0.02 0.08 -0.51 0.00 0.00 176.95 177.13 2jiy s VAL 26 N -1.89 2.22 0.00 4.03 1.01 0.67 -4.93 120.40 121.51 2jiy s VAL 26 Ca 0.27 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2jiy s VAL 26 Cb -0.08 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2jiy s VAL 26 CO 0.17 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2jiy n GLY 27 N 4.34 3.34 0.22 4.51 0.00 -1.26 -1.67 105.19 114.66 2jiy n GLY 27 Ca -0.04 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2jiy n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jiy h PRO 28 N 0.00 0.00 -6.36 1.61 0.13 -1.96 -3.46 132.00 121.96 2jiy h PRO 28 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 2jiy h PRO 28 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2jiy h PRO 28 CO 0.00 0.11 0.37 -0.06 -0.23 0.00 0.00 178.00 178.20 2jiy s PHE 29 N -3.34 3.63 0.35 1.56 0.08 -0.67 -5.03 117.98 114.56 2jiy s PHE 29 Ca 0.04 1.65 -0.25 0.00 0.12 0.00 0.00 56.93 58.49 2jiy s PHE 29 Cb 0.07 -3.10 -0.10 0.00 -0.57 0.00 0.00 43.02 39.32 2jiy s PHE 29 CO 0.65 -0.03 1.00 -0.47 -0.10 0.00 0.00 175.22 176.27 2jiy s TYR 30 N 1.12 3.52 0.00 0.36 5.04 -1.26 -0.24 117.35 125.89 2jiy s TYR 30 Ca 0.50 1.72 0.00 0.00 -2.44 0.00 0.00 57.07 56.85 2jiy s TYR 30 Cb -0.20 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.08 2jiy s TYR 30 CO 0.26 -0.18 0.00 0.28 -1.34 0.00 0.00 175.55 174.57 2jiy n VAL 31 N 0.36 0.00 -0.60 3.14 0.31 -0.03 -4.86 118.33 116.66 2jiy n VAL 31 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.44 2jiy n VAL 31 Cb 0.49 -0.56 -0.03 0.00 -0.91 0.00 0.00 33.84 32.84 2jiy n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jiy n GLY 32 N 2.96 -2.14 0.36 2.92 0.00 0.73 -2.28 105.19 107.74 2jiy n GLY 32 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.72 2jiy n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jiy h PHE 33 N -0.57 1.12 0.00 1.61 3.57 -1.79 -2.34 116.94 118.54 2jiy h PHE 33 Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2jiy h PHE 33 Cb 0.56 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2jiy h PHE 33 CO -0.20 0.53 -0.07 0.74 -2.23 0.00 0.00 178.31 177.07 2jiy h PHE 34 N 1.06 0.00 -0.20 0.41 0.04 -1.88 -0.68 116.94 115.69 2jiy h PHE 34 Ca 0.44 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.19 2jiy h PHE 34 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2jiy h PHE 34 CO -0.01 0.07 0.04 0.78 -0.60 0.00 0.00 178.31 178.60 2jiy h GLY 35 N 3.53 0.35 0.92 -1.45 0.00 -0.99 0.16 103.07 105.59 2jiy h GLY 35 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.12 2jiy h GLY 35 CO 0.01 0.21 0.27 -2.08 0.00 0.00 0.00 176.54 174.95 2jiy h VAL 36 N 0.13 1.06 0.10 4.60 2.07 -1.11 -0.95 116.25 122.15 2jiy h VAL 36 Ca 0.06 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2jiy h VAL 36 Cb 0.28 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2jiy h VAL 36 CO 0.00 0.10 -0.07 0.00 0.02 0.00 0.00 177.57 177.62 2jiy h ALA 37 N 1.19 -0.16 -0.64 1.67 0.00 -1.09 -1.07 119.26 119.17 2jiy h ALA 37 Ca 0.17 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2jiy h ALA 37 Cb -0.01 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2jiy h ALA 37 CO -0.07 -0.59 0.31 1.15 0.00 0.00 0.00 179.25 180.05 2jiy h THR 38 N -0.17 0.88 -0.13 0.00 2.02 -0.48 -0.15 112.91 114.88 2jiy h THR 38 Ca -0.01 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.99 2jiy h THR 38 Cb 0.15 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2jiy h THR 38 CO 0.00 0.10 0.05 0.15 0.37 0.00 0.00 175.52 176.19 2jiy h PHE 39 N 0.56 0.09 -0.02 3.16 3.57 -0.92 0.15 116.94 123.52 2jiy h PHE 39 Ca 0.30 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.83 2jiy h PHE 39 Cb 0.28 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2jiy h PHE 39 CO -0.11 0.05 -0.14 0.35 -2.23 0.00 0.00 178.31 176.22 2jiy h PHE 40 N 0.12 -0.36 -0.17 0.41 3.57 -0.39 0.70 116.94 120.82 2jiy h PHE 40 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2jiy h PHE 40 Cb 0.03 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2jiy h PHE 40 CO -0.10 -0.21 0.03 0.74 -2.23 0.00 0.00 178.31 176.54 2jiy h PHE 41 N -0.23 0.29 -0.59 0.41 0.04 -0.88 -1.32 116.94 114.66 2jiy h PHE 41 Ca 0.05 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2jiy h PHE 41 Cb 0.30 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 2jiy h PHE 41 CO -0.21 0.44 0.35 0.00 -0.60 0.00 0.00 178.31 178.29 2jiy h ALA 42 N 0.82 0.76 -0.17 2.45 0.00 -0.59 -0.69 119.26 121.83 2jiy h ALA 42 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jiy h ALA 42 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jiy h ALA 42 CO 0.00 0.25 0.01 0.00 0.00 0.00 0.00 179.25 179.51 2jiy h ALA 43 N 1.17 0.23 -0.35 0.00 0.00 -0.79 -0.88 119.26 118.63 2jiy h ALA 43 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jiy h ALA 43 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2jiy h ALA 43 CO -0.04 -0.07 0.22 1.25 0.00 0.00 0.00 179.25 180.61 2jiy h LEU 44 N 0.05 0.37 -0.13 0.00 5.85 -1.12 -0.50 115.31 119.84 2jiy h LEU 44 Ca 0.05 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2jiy h LEU 44 Cb 0.37 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2jiy h LEU 44 CO 0.01 0.27 -0.12 1.23 -0.34 0.00 0.00 178.44 179.49 2jiy h GLY 45 N 0.45 -0.03 1.06 3.75 0.00 -1.00 -0.15 103.07 107.15 2jiy h GLY 45 Ca 0.13 0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 2jiy h GLY 45 CO -0.04 -0.13 0.08 -2.22 0.00 0.00 0.00 176.54 174.23 2jiy h ILE 46 N -0.14 1.26 -0.44 2.60 2.04 -1.04 -0.54 117.51 121.25 2jiy h ILE 46 Ca 0.09 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 64.93 2jiy h ILE 46 Cb 0.26 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2jiy h ILE 46 CO -0.21 0.39 0.23 0.40 0.00 0.00 0.00 178.15 178.96 2jiy h ILE 47 N 0.95 0.99 -0.13 -0.67 2.04 -0.90 0.87 117.51 120.66 2jiy h ILE 47 Ca 0.19 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 2jiy h ILE 47 Cb 0.46 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2jiy h ILE 47 CO 0.02 0.08 -0.28 -0.07 0.00 0.00 0.00 178.15 177.91 2jiy h LEU 48 N 0.46 0.24 -0.31 1.44 3.38 -0.66 -0.07 115.31 119.79 2jiy h LEU 48 Ca 0.19 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2jiy h LEU 48 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jiy h LEU 48 CO -0.12 0.52 -0.08 0.40 0.09 0.00 0.00 178.44 179.26 2jiy h ILE 49 N 0.22 1.28 -0.39 1.22 2.04 -0.70 -0.14 117.51 121.03 2jiy h ILE 49 Ca 0.03 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2jiy h ILE 49 Cb 0.61 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2jiy h ILE 49 CO 0.04 0.36 0.09 0.00 0.00 0.00 0.00 178.15 178.64 2jiy h ALA 50 N 0.79 1.43 -0.04 1.87 0.00 -0.35 0.24 119.26 123.20 2jiy h ALA 50 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 2jiy h ALA 50 Cb 0.57 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2jiy h ALA 50 CO 0.03 0.42 -0.87 2.35 0.00 0.00 0.00 179.25 181.17 2jiy h TRP 51 N 0.57 0.96 -0.76 0.00 7.01 -1.02 -3.20 115.95 119.51 2jiy h TRP 51 Ca 0.13 -0.49 -0.00 0.00 2.11 0.00 0.00 58.89 60.63 2jiy h TRP 51 Cb 0.23 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 2jiy h TRP 51 CO 0.01 1.32 0.46 1.03 -2.79 0.00 0.00 178.44 178.47 2jiy h SER 52 N 0.33 0.91 -0.78 2.65 0.87 -0.50 -0.77 113.55 116.25 2jiy h SER 52 Ca -0.10 -0.05 0.18 0.00 -1.23 0.00 0.00 61.79 60.60 2jiy h SER 52 Cb 1.53 -0.23 -0.13 0.00 -0.44 0.00 0.00 62.40 63.13 2jiy h SER 52 CO 0.17 0.70 0.06 0.00 -0.53 0.00 0.00 176.83 177.24 2jiy h ALA 53 N 1.46 0.90 -0.23 6.23 0.00 -0.53 -0.48 119.26 126.60 2jiy h ALA 53 Ca 0.27 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 2jiy h ALA 53 Cb -0.04 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2jiy h ALA 53 CO -0.05 -0.42 -0.15 -0.24 0.00 0.00 0.00 179.25 178.38 2jiy h VAL 54 N 0.14 1.31 0.00 0.00 3.04 -1.14 -0.35 116.25 119.24 2jiy h VAL 54 Ca 0.44 -1.26 -0.00 0.00 -1.01 0.00 0.00 66.70 64.86 2jiy h VAL 54 Cb 0.80 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2jiy h VAL 54 CO -0.65 0.39 -0.02 -0.07 -1.01 0.00 0.00 177.57 176.20 2jiy h LEU 55 N 0.20 0.00 0.24 3.16 3.38 -1.07 -2.20 115.31 119.02 2jiy h LEU 55 Ca 0.05 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.67 2jiy h LEU 55 Cb 0.67 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.45 2jiy h LEU 55 CO 0.04 0.02 -1.56 -0.61 0.09 0.00 0.00 178.44 176.42 2jiy h GLN 56 N 0.00 0.51 0.00 1.13 4.15 -0.79 -3.49 115.11 116.62 2jiy h GLN 56 Ca -0.00 -0.86 0.00 0.00 0.77 0.00 0.00 58.65 58.56 2jiy h GLN 56 Cb 0.06 0.32 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2jiy h GLN 56 CO 0.00 1.41 0.00 0.41 -1.93 0.00 0.00 178.83 178.73 2jiy n GLY 57 N 1.76 1.88 3.61 2.39 0.00 -0.18 -5.10 105.19 109.53 2jiy n GLY 57 Ca -0.19 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2jiy n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jiy s THR 58 N -0.25 2.54 -0.02 2.61 -1.32 -0.96 -4.88 115.64 113.37 2jiy s THR 58 Ca 0.00 -2.04 0.02 0.00 -1.21 0.00 0.00 61.69 58.46 2jiy s THR 58 Cb 0.00 -2.75 0.03 0.00 -1.51 0.00 0.00 72.50 68.28 2jiy s THR 58 CO 0.00 -0.21 0.92 0.79 -2.21 0.00 0.00 174.62 173.91 2jiy n TRP 59 N -0.90 0.00 -2.78 9.09 7.02 -1.26 -4.30 117.44 124.30 2jiy n TRP 59 Ca -0.04 -0.44 -0.42 0.00 -1.02 0.00 0.00 57.50 55.57 2jiy n TRP 59 Cb 0.62 -0.05 -0.03 0.00 -2.42 0.00 0.00 31.31 29.43 2jiy n TRP 59 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2jiy s ASN 60 N -1.02 6.88 0.56 -0.99 3.84 -1.26 -4.94 114.94 118.01 2jiy s ASN 60 Ca 0.04 1.03 0.25 0.00 0.21 0.00 0.00 52.86 54.39 2jiy s ASN 60 Cb 0.03 -2.48 1.61 0.00 -0.55 0.00 0.00 41.25 39.87 2jiy s ASN 60 CO 0.00 -0.67 2.21 1.55 -2.79 0.00 0.00 177.10 177.40 2jiy h PRO 61 N 7.83 0.00 0.00 0.43 0.13 -1.96 0.20 132.00 138.64 2jiy h PRO 61 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jiy h PRO 61 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jiy h PRO 61 CO 0.94 0.01 0.00 1.04 -0.23 0.00 0.00 178.00 179.77 2jiy n GLN 62 N -4.05 0.18 -0.08 0.86 6.02 -1.26 -3.61 117.38 115.44 2jiy n GLN 62 Ca -0.03 0.29 -0.09 0.00 -0.01 0.00 0.00 57.00 57.17 2jiy n GLN 62 Cb 0.10 -1.78 -0.12 0.00 1.02 0.00 0.00 30.24 29.46 2jiy n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jiy n LEU 63 N -2.12 0.49 -4.70 1.08 4.77 0.48 -4.62 117.00 112.37 2jiy n LEU 63 Ca 0.04 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.57 2jiy n LEU 63 Cb 0.31 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2jiy n LEU 63 CO 0.24 0.47 1.35 -0.38 -1.33 0.00 0.00 177.39 177.73 2jiy n ILE 64 N -2.68 0.10 -3.70 -0.08 5.41 0.15 -4.96 119.36 113.59 2jiy n ILE 64 Ca -0.28 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.34 2jiy n ILE 64 Cb 1.00 -1.88 -0.11 0.00 -0.71 0.00 0.00 39.64 37.94 2jiy n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2jiy s SER 65 N 1.54 -0.39 -0.32 4.38 0.15 -1.26 -4.34 113.70 113.45 2jiy s SER 65 Ca 0.78 0.78 -0.07 0.00 0.70 0.00 0.00 55.95 58.14 2jiy s SER 65 Cb -0.56 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 64.47 2jiy s SER 65 CO 0.36 -0.19 0.11 -0.69 1.20 0.00 0.00 173.24 174.03 2jiy s VAL 66 N 1.47 3.98 0.03 4.45 1.01 -0.45 -4.95 120.40 125.93 2jiy s VAL 66 Ca -0.09 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 2jiy s VAL 66 Cb -0.09 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2jiy s VAL 66 CO -0.11 -0.07 0.29 -0.31 0.00 0.00 0.00 175.10 174.90 2jiy s TYR 67 N 1.47 3.57 0.96 5.22 1.51 -1.26 -0.76 117.35 128.05 2jiy s TYR 67 Ca 0.01 0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 56.53 2jiy s TYR 67 Cb -0.18 -2.00 0.16 0.00 -0.11 0.00 0.00 41.96 39.83 2jiy s TYR 67 CO 0.03 0.59 1.09 -1.25 -1.11 0.00 0.00 175.55 174.90 2jiy s PRO 68 N -1.88 0.76 0.48 -1.71 0.04 -1.26 -4.18 135.00 127.25 2jiy s PRO 68 Ca 0.30 0.72 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 2jiy s PRO 68 Cb -0.13 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2jiy s PRO 68 CO 0.18 -2.56 0.95 -2.30 0.04 0.00 0.00 177.00 173.31 2jiy n PRO 69 N -4.09 1.17 -0.98 0.56 -0.02 -1.26 -4.62 135.00 125.76 2jiy n PRO 69 Ca 0.06 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 2jiy n PRO 69 Cb 0.56 -2.04 0.12 0.00 -0.02 0.00 0.00 33.50 32.12 2jiy n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jiy n ALA 70 N -0.89 -1.02 0.23 3.55 0.00 -1.26 -2.78 120.51 118.34 2jiy n ALA 70 Ca 0.11 -0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.24 2jiy n ALA 70 Cb 0.42 -2.07 0.71 0.00 0.00 0.00 0.00 19.45 18.52 2jiy n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jiy h LEU 71 N -1.15 0.00 -2.26 0.00 3.38 -1.92 -2.09 115.31 111.27 2jiy h LEU 71 Ca -0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2jiy h LEU 71 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2jiy h LEU 71 CO 0.42 0.00 -0.05 -0.33 0.09 0.00 0.00 178.44 178.57 2jiy h GLU 72 N 0.00 0.00 0.00 1.13 5.08 -1.99 -0.43 114.58 118.37 2jiy h GLU 72 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2jiy h GLU 72 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2jiy h GLU 72 CO -0.00 0.05 0.00 0.66 -1.00 0.00 0.00 179.01 178.72 2jiy n TYR 73 N -3.79 0.49 0.00 4.33 4.02 -0.78 -4.99 117.16 116.44 2jiy n TYR 73 Ca -0.03 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2jiy n TYR 73 Cb 0.14 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 2jiy n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jiy n GLY 74 N 0.47 3.49 1.54 2.72 0.00 -0.17 -1.23 105.19 112.01 2jiy n GLY 74 Ca 0.04 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.10 2jiy n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jiy n LEU 75 N 0.00 4.54 -4.89 0.99 4.77 -1.24 -1.99 117.00 119.19 2jiy n LEU 75 Ca 0.00 -2.29 -0.29 0.00 -0.03 0.00 0.00 56.01 53.40 2jiy n LEU 75 Cb 0.00 -0.56 0.15 0.00 -2.33 0.00 0.00 43.42 40.69 2jiy n LEU 75 CO 0.00 0.86 0.82 -0.83 -1.33 0.00 0.00 177.39 176.91 2jiy s GLY 76 N -0.92 1.69 0.69 -0.72 0.00 -0.36 -4.96 107.32 102.74 2jiy s GLY 76 Ca 0.51 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 44.15 2jiy s GLY 76 CO 0.28 -0.28 1.07 -0.32 0.00 0.00 0.00 173.10 173.84 2jiy s GLY 77 N -4.66 1.80 0.10 0.20 0.00 -1.26 -4.98 107.32 98.53 2jiy s GLY 77 Ca 0.69 0.24 0.05 0.00 0.00 0.00 0.00 44.72 45.70 2jiy s GLY 77 CO 0.52 0.56 -0.12 0.00 0.00 0.00 0.00 173.10 174.06 2jiy s ALA 78 N -2.83 1.27 0.68 3.20 0.00 -1.26 -5.02 121.76 117.81 2jiy s ALA 78 Ca 0.61 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 2jiy s ALA 78 Cb -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 2jiy s ALA 78 CO 0.51 0.05 1.07 -2.30 0.00 0.00 0.00 175.76 175.09 2jiy n PRO 79 N 0.67 0.73 -0.16 0.00 -0.02 -1.26 -3.20 135.00 131.76 2jiy n PRO 79 Ca -0.17 0.30 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2jiy n PRO 79 Cb 0.57 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.81 2jiy n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jiy h LEU 80 N 0.07 0.09 -1.47 2.45 3.38 -1.93 0.15 115.31 118.04 2jiy h LEU 80 Ca -0.49 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 2jiy h LEU 80 Cb 1.34 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 2jiy h LEU 80 CO 0.49 0.07 -0.06 0.00 0.09 0.00 0.00 178.44 179.04 2jiy h ALA 81 N 1.37 1.02 -0.57 1.53 0.00 -1.97 -2.52 119.26 118.12 2jiy h ALA 81 Ca 0.25 -0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.70 2jiy h ALA 81 Cb 0.31 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.79 2jiy h ALA 81 CO -0.29 0.07 -0.56 1.63 0.00 0.00 0.00 179.25 180.10 2jiy n LYS 82 N -3.19 2.95 0.00 0.00 5.02 -0.29 -4.90 118.16 117.74 2jiy n LYS 82 Ca 0.00 -3.83 0.00 0.00 -2.02 0.00 0.00 58.31 52.46 2jiy n LYS 82 Cb 0.32 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 2jiy n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jiy n GLY 83 N -0.85 1.16 0.29 0.72 0.00 -0.97 -4.31 105.19 101.22 2jiy n GLY 83 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 2jiy n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jiy h GLY 84 N 0.00 1.07 0.98 -0.02 0.00 -0.75 -1.87 103.07 102.48 2jiy h GLY 84 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2jiy h GLY 84 CO 0.00 0.44 0.65 1.41 0.00 0.00 0.00 176.54 179.04 2jiy h LEU 85 N 1.00 1.12 -0.70 3.11 3.38 -1.67 -1.02 115.31 120.54 2jiy h LEU 85 Ca 0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jiy h LEU 85 Cb -0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2jiy h LEU 85 CO -0.05 0.80 0.43 -0.25 0.09 0.00 0.00 178.44 179.46 2jiy h TRP 86 N 1.32 0.91 -0.19 1.13 7.01 -1.62 0.34 115.95 124.85 2jiy h TRP 86 Ca 0.37 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.36 2jiy h TRP 86 Cb -0.12 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.63 2jiy h TRP 86 CO -0.00 0.61 0.05 1.96 -2.79 0.00 0.00 178.44 178.26 2jiy h GLN 87 N 0.95 0.30 -0.32 2.65 4.20 -0.76 0.16 115.11 122.28 2jiy h GLN 87 Ca 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2jiy h GLN 87 Cb -0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2jiy h GLN 87 CO -0.05 0.42 0.15 0.82 -0.67 0.00 0.00 178.83 179.51 2jiy h ILE 88 N 0.12 1.16 -0.91 2.54 2.04 -1.07 -2.41 117.51 118.98 2jiy h ILE 88 Ca 0.06 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2jiy h ILE 88 Cb 0.25 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2jiy h ILE 88 CO -0.00 0.17 0.60 0.40 0.00 0.00 0.00 178.15 179.32 2jiy h ILE 89 N 0.38 1.19 -0.46 -0.67 2.04 -0.79 -1.19 117.51 118.01 2jiy h ILE 89 Ca 0.11 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2jiy h ILE 89 Cb 0.13 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 2jiy h ILE 89 CO -0.01 0.22 0.08 0.74 0.00 0.00 0.00 178.15 179.17 2jiy h THR 90 N 1.19 1.21 -0.37 -0.27 2.02 -0.77 0.80 112.91 116.72 2jiy h THR 90 Ca 0.35 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 2jiy h THR 90 Cb -0.05 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2jiy h THR 90 CO -0.09 0.29 -0.06 0.40 0.37 0.00 0.00 175.52 176.43 2jiy h ILE 91 N 0.68 1.27 -0.73 3.11 2.04 -0.83 -1.91 117.51 121.15 2jiy h ILE 91 Ca 0.15 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2jiy h ILE 91 Cb 0.31 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 2jiy h ILE 91 CO 0.00 0.36 0.46 0.00 0.00 0.00 0.00 178.15 178.97 2jiy h ALA 93 N 1.24 -0.09 -0.24 0.00 0.00 -0.73 0.37 119.26 119.80 2jiy h ALA 93 Ca 0.26 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2jiy h ALA 93 Cb -0.06 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2jiy h ALA 93 CO -0.05 -0.48 -0.07 1.15 0.00 0.00 0.00 179.25 179.80 2jiy h THR 94 N -0.23 0.74 -0.45 0.00 2.02 -1.31 0.32 112.91 113.99 2jiy h THR 94 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2jiy h THR 94 Cb 0.20 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 2jiy h THR 94 CO 0.01 0.00 0.20 1.23 0.37 0.00 0.00 175.52 177.33 2jiy h GLY 95 N -0.01 0.61 0.89 2.16 0.00 -0.84 -0.98 103.07 104.90 2jiy h GLY 95 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.34 2jiy h GLY 95 CO -0.26 0.06 0.14 0.00 0.00 0.00 0.00 176.54 176.48 2jiy h ALA 96 N 1.27 0.33 -0.30 3.60 0.00 0.21 -0.76 119.26 123.62 2jiy h ALA 96 Ca 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2jiy h ALA 96 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jiy h ALA 96 CO -0.18 -0.25 -0.15 0.74 0.00 0.00 0.00 179.25 179.41 2jiy h PHE 97 N 0.29 0.73 -0.37 0.00 0.04 -0.59 -0.04 116.94 117.00 2jiy h PHE 97 Ca 0.11 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2jiy h PHE 97 Cb 0.03 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 2jiy h PHE 97 CO -0.09 0.86 0.01 0.28 -0.60 0.00 0.00 178.31 178.77 2jiy h VAL 98 N 0.38 1.26 -0.70 -0.55 2.07 -1.17 -0.97 116.25 116.57 2jiy h VAL 98 Ca 0.07 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2jiy h VAL 98 Cb 0.68 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2jiy h VAL 98 CO 0.05 0.33 0.44 0.28 0.02 0.00 0.00 177.57 178.68 2jiy h SER 99 N 0.48 0.82 -0.51 0.57 0.02 -1.06 -1.16 113.55 112.71 2jiy h SER 99 Ca 0.11 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2jiy h SER 99 Cb 0.45 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 2jiy h SER 99 CO 0.02 0.62 0.24 -0.25 -1.14 0.00 0.00 176.83 176.32 2jiy h TRP 100 N 0.96 0.73 -0.47 3.45 2.91 -0.50 -0.84 115.95 122.19 2jiy h TRP 100 Ca 0.25 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.22 2jiy h TRP 100 Cb -0.07 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.33 2jiy h TRP 100 CO 0.00 0.58 0.21 0.00 -1.03 0.00 0.00 178.44 178.20 2jiy h ALA 101 N 1.08 0.61 -0.20 2.65 0.00 -0.64 -1.87 119.26 120.89 2jiy h ALA 101 Ca 0.17 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2jiy h ALA 101 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jiy h ALA 101 CO -0.02 0.19 -0.40 -0.07 0.00 0.00 0.00 179.25 178.95 2jiy h LEU 102 N 0.61 0.49 -0.84 0.00 3.38 -1.12 -1.80 115.31 116.03 2jiy h LEU 102 Ca 0.16 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2jiy h LEU 102 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2jiy h LEU 102 CO -0.02 0.84 0.55 -0.09 0.09 0.00 0.00 178.44 179.81 2jiy h ARG 103 N 0.39 1.08 -0.71 1.13 2.43 -1.07 -1.76 114.38 115.86 2jiy h ARG 103 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jiy h ARG 103 Cb 0.87 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 2jiy h ARG 103 CO 0.07 0.72 0.45 0.93 -1.51 0.00 0.00 179.97 180.63 2jiy h GLU 104 N 1.12 0.95 -0.71 0.20 5.08 -0.75 -1.40 114.58 119.06 2jiy h GLU 104 Ca 0.31 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2jiy h GLU 104 Cb -0.10 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 2jiy h GLU 104 CO -0.08 0.65 0.25 0.28 -1.00 0.00 0.00 179.01 179.11 2jiy h VAL 105 N 0.97 1.25 -0.78 3.13 2.07 -0.81 0.27 116.25 122.35 2jiy h VAL 105 Ca 0.26 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2jiy h VAL 105 Cb -0.07 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2jiy h VAL 105 CO -0.05 0.33 0.35 -0.33 0.02 0.00 0.00 177.57 177.90 2jiy h GLU 106 N 1.04 1.14 -0.47 1.57 5.08 -0.70 -1.32 114.58 120.92 2jiy h GLU 106 Ca 0.23 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2jiy h GLU 106 Cb 0.27 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2jiy h GLU 106 CO -0.01 0.90 0.12 0.82 -1.00 0.00 0.00 179.01 179.84 2jiy h ILE 107 N 1.11 1.24 -0.68 3.13 2.04 -0.93 -1.39 117.51 122.03 2jiy h ILE 107 Ca 0.27 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.37 2jiy h ILE 107 Cb 0.15 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2jiy h ILE 107 CO -0.03 0.29 0.37 0.00 0.00 0.00 0.00 178.15 178.79 2jiy h ARG 109 N 0.68 0.73 -0.49 0.00 3.08 -0.97 -0.71 114.38 116.71 2jiy h ARG 109 Ca 0.31 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 2jiy h ARG 109 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2jiy h ARG 109 CO -0.19 0.75 0.08 -0.22 -1.07 0.00 0.00 179.97 179.32 2jiy h LYS 110 N 0.60 0.76 -0.00 0.04 3.64 -1.03 -2.99 116.57 117.59 2jiy h LYS 110 Ca 0.14 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jiy h LYS 110 Cb 0.37 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jiy h LYS 110 CO 0.01 0.72 -0.16 1.28 -2.27 0.00 0.00 179.45 179.02 2jiy n LEU 111 N -4.26 0.49 -1.07 5.20 4.77 -0.49 -4.95 117.00 116.69 2jiy n LEU 111 Ca 0.03 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 2jiy n LEU 111 Cb 0.25 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2jiy n LEU 111 CO 0.40 0.10 -0.13 0.61 -1.33 0.00 0.00 177.39 177.04 2jiy n GLY 112 N 1.34 0.54 3.85 -0.72 0.00 -0.35 -5.02 105.19 104.82 2jiy n GLY 112 Ca 0.12 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2jiy n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jiy s ILE 113 N -2.49 3.00 0.94 -0.61 -4.36 -0.74 -5.04 121.20 111.90 2jiy s ILE 113 Ca 0.00 -1.40 -0.12 0.00 -0.26 0.00 0.00 60.65 58.88 2jiy s ILE 113 Cb 0.00 -3.07 0.15 0.00 1.25 0.00 0.00 42.46 40.80 2jiy s ILE 113 CO 0.00 -0.08 1.09 -0.83 0.24 0.00 0.00 174.94 175.36 2jiy s GLY 114 N -4.05 1.60 -0.11 6.27 0.00 -1.26 -4.62 107.32 105.15 2jiy s GLY 114 Ca 0.44 -0.14 0.10 0.00 0.00 0.00 0.00 44.72 45.12 2jiy s GLY 114 CO 0.27 0.39 1.30 -1.72 0.00 0.00 0.00 173.10 173.34 2jiy n TYR 115 N -4.03 1.14 -0.01 1.90 4.01 -1.26 -4.60 117.16 114.31 2jiy n TYR 115 Ca 0.06 -0.42 0.03 0.00 -0.16 0.00 0.00 57.90 57.41 2jiy n TYR 115 Cb 0.56 -0.27 0.38 0.00 -0.31 0.00 0.00 39.34 39.70 2jiy n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jiy h HIS 116 N 2.57 0.54 0.56 -0.72 3.86 -1.99 -2.68 115.15 117.28 2jiy h HIS 116 Ca 0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2jiy h HIS 116 Cb 1.22 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 29.52 2jiy h HIS 116 CO 0.59 0.39 -0.27 0.82 0.86 0.00 0.00 177.93 180.32 2jiy h ILE 117 N 0.56 0.21 -0.12 2.45 2.04 -1.99 -0.94 117.51 119.72 2jiy h ILE 117 Ca 0.14 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2jiy h ILE 117 Cb 0.04 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2jiy h ILE 117 CO -0.02 0.03 0.08 1.55 0.00 0.00 0.00 178.15 179.79 2jiy h PRO 118 N -1.09 0.14 -0.22 2.37 0.13 -1.87 -0.26 132.00 131.20 2jiy h PRO 118 Ca -0.08 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2jiy h PRO 118 Cb 0.63 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 2jiy h PRO 118 CO 0.13 0.10 0.11 0.35 -0.23 0.00 0.00 178.00 178.45 2jiy h PHE 119 N 0.15 0.20 -0.50 1.56 3.57 -1.41 -1.62 116.94 118.90 2jiy h PHE 119 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2jiy h PHE 119 Cb 0.00 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2jiy h PHE 119 CO -0.00 0.11 0.18 0.00 -2.23 0.00 0.00 178.31 176.37 2jiy h ALA 120 N 1.12 0.65 -0.49 2.41 0.00 -0.39 -2.76 119.26 119.79 2jiy h ALA 120 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jiy h ALA 120 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2jiy h ALA 120 CO -0.06 0.29 0.33 0.35 0.00 0.00 0.00 179.25 180.15 2jiy h PHE 121 N 0.67 0.55 0.00 0.00 3.57 -0.95 -2.14 116.94 118.65 2jiy h PHE 121 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2jiy h PHE 121 Cb 0.24 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2jiy h PHE 121 CO 0.01 0.33 -0.02 0.00 -2.23 0.00 0.00 178.31 176.40 2jiy h ALA 122 N 1.71 1.67 -0.30 2.41 0.00 -0.98 -1.16 119.26 122.61 2jiy h ALA 122 Ca 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jiy h ALA 122 Cb 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jiy h ALA 122 CO -0.05 0.02 0.11 0.74 0.00 0.00 0.00 179.25 180.08 2jiy h PHE 123 N 0.00 0.46 -0.49 0.00 -1.00 -1.43 -0.40 116.94 114.08 2jiy h PHE 123 Ca -0.00 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.77 2jiy h PHE 123 Cb 0.04 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 2jiy h PHE 123 CO 0.00 0.46 0.28 0.00 -1.61 0.00 0.00 178.31 177.44 2jiy h ALA 124 N 0.95 0.62 -0.81 2.45 0.00 -1.32 -1.19 119.26 119.97 2jiy h ALA 124 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jiy h ALA 124 Cb 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2jiy h ALA 124 CO -0.01 -0.04 0.53 0.82 0.00 0.00 0.00 179.25 180.56 2jiy h ILE 125 N 0.56 1.20 -0.24 0.00 2.04 -1.20 -0.41 117.51 119.46 2jiy h ILE 125 Ca 0.20 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 2jiy h ILE 125 Cb 0.04 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 2jiy h ILE 125 CO -0.10 0.20 -0.31 -0.07 0.00 0.00 0.00 178.15 177.86 2jiy h LEU 126 N 1.09 0.50 -0.05 1.44 3.38 -0.66 0.13 115.31 121.13 2jiy h LEU 126 Ca 0.30 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jiy h LEU 126 Cb -0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2jiy h LEU 126 CO -0.07 0.78 0.02 0.00 0.09 0.00 0.00 178.44 179.26 2jiy h ALA 127 N 1.25 0.06 -0.53 1.53 0.00 -0.64 0.19 119.26 121.12 2jiy h ALA 127 Ca 0.05 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2jiy h ALA 127 Cb 0.76 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2jiy h ALA 127 CO 0.06 -0.36 0.11 -0.92 0.00 0.00 0.00 179.25 178.14 2jiy h TYR 128 N -0.07 0.18 -0.01 0.00 3.20 -0.77 -2.41 116.97 117.10 2jiy h TYR 128 Ca 0.02 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 2jiy h TYR 128 Cb 0.15 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2jiy h TYR 128 CO -0.03 -0.01 -0.53 -0.07 -1.64 0.00 0.00 178.16 175.89 2jiy h LEU 129 N 0.25 0.03 -0.60 2.82 3.38 -0.41 -2.03 115.31 118.74 2jiy h LEU 129 Ca 0.27 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2jiy h LEU 129 Cb 0.37 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2jiy h LEU 129 CO -0.35 0.55 0.34 0.74 0.09 0.00 0.00 178.44 179.81 2jiy h THR 130 N 0.02 0.99 -0.07 0.22 2.02 -0.15 0.20 112.91 116.13 2jiy h THR 130 Ca -0.00 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 66.76 2jiy h THR 130 Cb 0.94 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2jiy h THR 130 CO 0.07 0.12 -0.76 -0.07 0.37 0.00 0.00 175.52 175.25 2jiy h LEU 131 N 0.64 0.52 0.00 2.58 3.38 -1.06 0.72 115.31 122.09 2jiy h LEU 131 Ca 0.26 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jiy h LEU 131 Cb 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jiy h LEU 131 CO -0.15 1.10 -1.51 1.33 0.09 0.00 0.00 178.44 179.30 2jiy n VAL 132 N -3.83 0.00 0.04 1.22 0.24 -0.82 -4.36 118.33 110.82 2jiy n VAL 132 Ca -0.05 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2jiy n VAL 132 Cb 0.72 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 2jiy n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2jiy n LEU 133 N -1.90 0.53 -0.02 1.34 7.94 0.48 -4.71 117.00 120.66 2jiy n LEU 133 Ca -0.01 0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.87 2jiy n LEU 133 Cb 0.39 -0.13 -0.08 0.00 0.53 0.00 0.00 43.42 44.13 2jiy n LEU 133 CO 0.35 -0.65 0.70 -0.26 -1.11 0.00 0.00 177.39 176.42 2jiy h PHE 134 N 0.00 0.15 0.37 1.96 0.04 -1.04 -0.98 116.94 117.44 2jiy h PHE 134 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2jiy h PHE 134 Cb 0.00 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2jiy h PHE 134 CO 0.00 0.46 -0.18 -0.09 -0.60 0.00 0.00 178.31 177.90 2jiy h ARG 135 N -0.21 -0.48 -0.87 1.51 2.43 -1.07 -0.73 114.38 114.95 2jiy h ARG 135 Ca 0.02 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.40 2jiy h ARG 135 Cb 0.42 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 29.97 2jiy h ARG 135 CO 0.01 -0.19 0.43 -1.35 -1.51 0.00 0.00 179.97 177.35 2jiy h PRO 136 N -0.77 0.52 -0.29 0.20 0.11 -1.76 0.99 132.00 131.01 2jiy h PRO 136 Ca -0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2jiy h PRO 136 Cb 0.52 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2jiy h PRO 136 CO 0.08 0.35 0.07 0.28 -0.21 0.00 0.00 178.00 178.57 2jiy h VAL 137 N 0.54 1.22 -0.35 3.15 2.07 -1.08 0.13 116.25 121.93 2jiy h VAL 137 Ca 0.51 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2jiy h VAL 137 Cb 0.83 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2jiy h VAL 137 CO -0.43 0.24 0.05 0.24 0.02 0.00 0.00 177.57 177.70 2jiy h MET 138 N 0.31 0.53 -0.00 1.57 2.86 -0.12 -2.32 114.93 117.75 2jiy h MET 138 Ca 0.09 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jiy h MET 138 Cb 0.30 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2jiy h MET 138 CO 0.00 0.51 -0.14 -1.33 1.06 0.00 0.00 176.91 177.01 2jiy n MET 139 N -4.32 0.42 -0.65 1.72 2.81 0.25 -4.95 117.12 112.40 2jiy n MET 139 Ca 0.02 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 2jiy n MET 139 Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2jiy n MET 139 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jiy n GLY 140 N 1.36 0.62 3.64 3.03 0.00 -0.25 -5.05 105.19 108.54 2jiy n GLY 140 Ca 0.11 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 2jiy n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jiy s ALA 141 N -2.00 -1.95 0.47 4.61 0.00 -0.13 -3.59 121.76 119.17 2jiy s ALA 141 Ca 0.00 2.06 0.21 0.00 0.00 0.00 0.00 51.96 54.24 2jiy s ALA 141 Cb 0.00 -1.41 1.32 0.00 0.00 0.00 0.00 23.12 23.03 2jiy s ALA 141 CO 0.00 -0.31 2.08 -1.49 0.00 0.00 0.00 175.76 176.05 2jiy h TRP 142 N 5.18 0.00 0.00 0.00 4.06 -1.63 -2.91 115.95 120.65 2jiy h TRP 142 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 2jiy h TRP 142 Cb 1.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2jiy h TRP 142 CO 0.26 0.11 0.00 0.78 -3.56 0.00 0.00 178.44 176.04 2jiy h GLY 143 N 0.48 0.00 2.00 1.49 0.00 -1.75 -1.15 103.07 104.14 2jiy h GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jiy h GLY 143 CO 0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.83 2jiy n TYR 144 N -2.35 0.41 -1.35 5.60 4.01 -1.10 -4.85 117.16 117.54 2jiy n TYR 144 Ca -0.02 0.12 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 2jiy n TYR 144 Cb 0.04 -0.70 0.11 0.00 -0.31 0.00 0.00 39.34 38.48 2jiy n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jiy s ALA 145 N -3.05 1.96 0.31 -0.72 0.00 -0.44 -4.88 121.76 114.94 2jiy s ALA 145 Ca 0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 2jiy s ALA 145 Cb 0.16 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 2jiy s ALA 145 CO 0.55 -1.98 0.73 -0.59 0.00 0.00 0.00 175.76 174.47 2jiy s PHE 146 N -3.00 3.40 0.52 0.00 -0.71 -1.26 -4.83 117.98 112.10 2jiy s PHE 146 Ca 0.62 1.22 -0.16 0.00 -1.04 0.00 0.00 56.93 57.57 2jiy s PHE 146 Cb -0.16 -2.53 -0.08 0.00 -1.21 0.00 0.00 43.02 39.04 2jiy s PHE 146 CO 0.56 0.12 0.99 -1.25 -1.34 0.00 0.00 175.22 174.30 2jiy s PRO 147 N -2.88 3.91 -0.82 1.99 0.04 -1.26 -4.73 135.00 131.25 2jiy s PRO 147 Ca 0.53 0.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 2jiy s PRO 147 Cb -0.11 -2.13 0.15 0.00 0.04 0.00 0.00 34.50 32.45 2jiy s PRO 147 CO 0.18 -0.31 0.91 0.71 0.04 0.00 0.00 177.00 178.54 2jiy s TYR 148 N -2.65 3.29 -0.25 0.56 2.02 0.06 -4.14 117.35 116.25 2jiy s TYR 148 Ca 0.59 -1.47 -0.26 0.00 -0.37 0.00 0.00 57.07 55.56 2jiy s TYR 148 Cb -0.10 -4.07 0.07 0.00 -0.40 0.00 0.00 41.96 37.45 2jiy s TYR 148 CO 0.33 -1.29 0.72 0.20 -1.57 0.00 0.00 175.55 173.93 2jiy s GLY 149 N 3.16 -0.54 0.13 0.71 0.00 -1.26 -1.35 107.32 108.17 2jiy s GLY 149 Ca 0.23 1.95 -0.21 0.00 0.00 0.00 0.00 44.72 46.69 2jiy s GLY 149 CO -0.05 1.66 1.69 -2.22 0.00 0.00 0.00 173.10 174.18 2jiy h ILE 150 N 3.89 0.72 0.04 0.90 2.04 -1.79 -1.61 117.51 121.70 2jiy h ILE 150 Ca -0.29 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.22 2jiy h ILE 150 Cb 1.16 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2jiy h ILE 150 CO 0.09 0.00 -2.11 0.79 0.00 0.00 0.00 178.15 176.92 2jiy n TRP 151 N -5.24 0.68 0.26 1.37 7.02 -1.26 -4.26 117.44 116.01 2jiy n TRP 151 Ca -0.03 0.18 0.10 0.00 -1.02 0.00 0.00 57.50 56.74 2jiy n TRP 151 Cb 0.16 -1.10 0.69 0.00 -2.42 0.00 0.00 31.31 28.63 2jiy n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2jiy h THR 152 N 0.02 0.80 0.00 -0.99 1.35 -1.90 -1.95 112.91 110.25 2jiy h THR 152 Ca -0.45 -0.36 -0.12 0.00 -0.55 0.00 0.00 66.41 64.93 2jiy h THR 152 Cb 2.04 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 2jiy h THR 152 CO 0.03 0.09 -0.59 1.12 -0.25 0.00 0.00 175.52 175.93 2jiy h HIS 153 N 0.00 0.00 -0.31 4.73 2.07 -1.45 -2.66 115.15 117.53 2jiy h HIS 153 Ca -0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2jiy h HIS 153 Cb 0.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.17 2jiy h HIS 153 CO 0.00 0.59 -0.18 -0.07 -3.07 0.00 0.00 177.93 175.20 2jiy h LEU 154 N 0.00 0.56 -0.63 6.12 4.07 -1.56 -2.24 115.31 121.63 2jiy h LEU 154 Ca -0.01 -0.17 0.03 0.00 0.08 0.00 0.00 57.88 57.81 2jiy h LEU 154 Cb 1.10 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 2jiy h LEU 154 CO 0.08 0.76 0.38 0.44 -1.08 0.00 0.00 178.44 179.02 2jiy h ASP 155 N 0.51 0.61 -0.78 -0.43 3.32 -1.14 -2.13 116.42 116.38 2jiy h ASP 155 Ca 0.08 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2jiy h ASP 155 Cb 0.61 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 2jiy h ASP 155 CO 0.04 0.42 0.37 -0.25 -1.72 0.00 0.00 179.24 178.10 2jiy h TRP 156 N 0.74 1.14 -0.12 4.55 7.01 -1.26 -0.09 115.95 127.92 2jiy h TRP 156 Ca 0.26 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 2jiy h TRP 156 Cb 0.06 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 2jiy h TRP 156 CO -0.06 0.83 0.07 0.28 -2.79 0.00 0.00 178.44 176.76 2jiy h VAL 157 N 1.13 1.08 -0.09 2.65 2.07 -0.85 0.14 116.25 122.38 2jiy h VAL 157 Ca 0.27 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.36 2jiy h VAL 157 Cb 0.12 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2jiy h VAL 157 CO -0.03 0.07 -0.80 0.77 0.02 0.00 0.00 177.57 177.60 2jiy h SER 158 N 0.10 0.70 -0.34 0.57 4.64 -1.28 -0.92 113.55 117.02 2jiy h SER 158 Ca 0.04 -0.48 0.03 0.00 -0.47 0.00 0.00 61.79 60.91 2jiy h SER 158 Cb 0.06 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 2jiy h SER 158 CO -0.01 1.25 0.15 0.78 -0.87 0.00 0.00 176.83 178.13 2jiy h ASN 159 N 0.38 0.20 -0.13 4.97 2.35 -0.93 -0.50 115.58 121.93 2jiy h ASN 159 Ca -0.05 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 2jiy h ASN 159 Cb 1.41 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.77 2jiy h ASN 159 CO 0.15 0.15 -0.01 0.74 -1.65 0.00 0.00 177.43 176.81 2jiy h THR 160 N 0.31 1.27 -0.20 2.81 2.02 -0.69 -2.51 112.91 115.93 2jiy h THR 160 Ca 0.15 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.46 2jiy h THR 160 Cb 0.08 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2jiy h THR 160 CO -0.12 0.26 0.02 1.23 0.37 0.00 0.00 175.52 177.28 2jiy h GLY 161 N -0.06 0.20 2.00 2.16 0.00 -1.05 -2.89 103.07 103.44 2jiy h GLY 161 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2jiy h GLY 161 CO 0.01 -0.02 0.00 -1.72 0.00 0.00 0.00 176.54 174.81 2jiy n TYR 162 N -5.10 0.51 0.23 5.60 4.01 -0.21 -1.47 117.16 120.73 2jiy n TYR 162 Ca -0.03 0.18 0.16 0.00 -0.16 0.00 0.00 57.90 58.06 2jiy n TYR 162 Cb 0.10 -0.80 0.85 0.00 -0.31 0.00 0.00 39.34 39.18 2jiy n TYR 162 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2jiy h THR 163 N 0.00 0.50 -0.15 -0.72 2.02 -1.22 -2.52 112.91 110.81 2jiy h THR 163 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2jiy h THR 163 Cb 0.43 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2jiy h THR 163 CO 0.00 0.00 -0.09 -1.22 0.37 0.00 0.00 175.52 174.58 2jiy n TYR 164 N -3.83 0.52 -4.13 3.16 4.01 -0.54 -4.84 117.16 111.50 2jiy n TYR 164 Ca 0.00 -1.17 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 2jiy n TYR 164 Cb 0.25 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2jiy n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jiy n GLY 165 N -1.05 0.39 3.61 2.72 0.00 -0.95 -1.82 105.19 108.09 2jiy n GLY 165 Ca 0.22 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2jiy n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jiy s ASN 166 N -4.00 6.46 0.17 1.61 3.84 -1.26 -3.71 114.94 118.04 2jiy s ASN 166 Ca 0.00 1.04 0.19 0.00 0.21 0.00 0.00 52.86 54.30 2jiy s ASN 166 Cb 0.00 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.99 2jiy s ASN 166 CO 0.00 -1.29 1.59 0.33 -2.79 0.00 0.00 177.10 174.94 2jiy n PHE 167 N 8.36 0.50 -0.27 0.43 7.35 -1.26 -2.22 117.46 130.36 2jiy n PHE 167 Ca 0.16 0.20 0.27 0.00 -0.76 0.00 0.00 57.45 57.32 2jiy n PHE 167 Cb 0.47 -0.83 0.63 0.00 0.35 0.00 0.00 39.48 40.10 2jiy n PHE 167 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2jiy h HIS 168 N 0.00 0.29 0.00 -5.13 3.86 -1.95 -1.63 115.15 110.59 2jiy h HIS 168 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2jiy h HIS 168 Cb 0.28 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2jiy h HIS 168 CO 0.00 0.04 0.00 0.66 0.86 0.00 0.00 177.93 179.49 2jiy n TYR 169 N -4.40 0.00 -2.29 2.45 4.02 -0.94 -4.55 117.16 111.45 2jiy n TYR 169 Ca 0.23 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.69 2jiy n TYR 169 Cb 0.97 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 40.25 2jiy n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2jiy s ASN 170 N -2.02 6.68 0.27 7.72 3.84 -0.62 -4.62 114.94 126.20 2jiy s ASN 170 Ca 0.41 1.59 0.01 0.00 0.21 0.00 0.00 52.86 55.09 2jiy s ASN 170 Cb 0.19 -2.54 0.39 0.00 -0.55 0.00 0.00 41.25 38.75 2jiy s ASN 170 CO 0.33 -1.01 1.73 1.55 -2.79 0.00 0.00 177.10 176.91 2jiy h PRO 171 N 9.38 0.57 -0.15 0.43 0.13 -1.90 -1.45 132.00 139.00 2jiy h PRO 171 Ca -0.30 -0.20 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2jiy h PRO 171 Cb 1.12 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2jiy h PRO 171 CO 1.00 0.73 -0.16 0.00 -0.23 0.00 0.00 178.00 179.33 2jiy h ALA 172 N 1.29 1.45 -0.45 -0.56 0.00 -1.91 -2.40 119.26 116.68 2jiy h ALA 172 Ca 0.08 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2jiy h ALA 172 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jiy h ALA 172 CO 0.04 0.39 -0.25 1.25 0.00 0.00 0.00 179.25 180.68 2jiy h HIS 173 N 0.23 1.12 -0.72 0.00 6.17 -1.67 -1.00 115.15 119.29 2jiy h HIS 173 Ca 0.05 -0.29 -0.01 0.00 0.71 0.00 0.00 60.37 60.83 2jiy h HIS 173 Cb 0.43 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 2jiy h HIS 173 CO 0.01 1.11 0.42 0.52 0.71 0.00 0.00 177.93 180.69 2jiy h MET 174 N 0.81 0.98 -0.22 5.26 2.86 -0.92 -0.54 114.93 123.16 2jiy h MET 174 Ca 0.10 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2jiy h MET 174 Cb 0.83 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2jiy h MET 174 CO 0.07 0.71 -0.09 0.82 1.06 0.00 0.00 176.91 179.48 2jiy h ILE 175 N 0.98 1.30 -0.42 -1.22 2.04 -1.29 -1.98 117.51 116.92 2jiy h ILE 175 Ca 0.26 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 65.07 2jiy h ILE 175 Cb -0.01 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2jiy h ILE 175 CO -0.05 0.35 -0.13 0.00 0.00 0.00 0.00 178.15 178.32 2jiy h ALA 176 N 0.72 0.24 -0.75 1.87 0.00 -0.96 -1.87 119.26 118.51 2jiy h ALA 176 Ca 0.05 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2jiy h ALA 176 Cb 0.57 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2jiy h ALA 176 CO 0.03 -0.47 0.49 0.82 0.00 0.00 0.00 179.25 180.11 2jiy h ILE 177 N -0.03 1.16 -0.54 0.00 2.04 -1.01 -1.21 117.51 117.92 2jiy h ILE 177 Ca 0.20 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2jiy h ILE 177 Cb 0.34 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2jiy h ILE 177 CO -0.45 0.18 0.25 0.28 0.00 0.00 0.00 178.15 178.41 2jiy h SER 178 N 0.98 0.68 -0.16 1.72 0.02 -0.75 -0.40 113.55 115.64 2jiy h SER 178 Ca 0.29 -0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.98 2jiy h SER 178 Cb -0.06 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2jiy h SER 178 CO -0.08 0.59 -0.60 -0.26 -1.14 0.00 0.00 176.83 175.34 2jiy h PHE 179 N 0.75 0.98 -0.48 3.45 0.04 -0.91 -1.69 116.94 119.07 2jiy h PHE 179 Ca 0.19 -0.37 -0.02 0.00 2.80 0.00 0.00 57.97 60.57 2jiy h PHE 179 Cb 0.10 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2jiy h PHE 179 CO 0.01 1.17 0.24 0.74 -0.60 0.00 0.00 178.31 179.87 2jiy h PHE 180 N 0.57 0.69 -0.17 -0.55 0.04 -0.60 0.63 116.94 117.56 2jiy h PHE 180 Ca -0.00 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2jiy h PHE 180 Cb 1.19 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2jiy h PHE 180 CO 0.07 0.54 -0.02 0.74 -0.60 0.00 0.00 178.31 179.04 2jiy h PHE 181 N 0.64 0.33 -0.41 -0.55 0.04 -1.11 -2.30 116.94 113.58 2jiy h PHE 181 Ca 0.17 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 2jiy h PHE 181 Cb 0.11 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2jiy h PHE 181 CO -0.01 0.54 -0.03 1.15 -0.60 0.00 0.00 178.31 179.36 2jiy h THR 182 N 0.03 1.23 -0.43 -1.55 2.02 -1.28 -1.47 112.91 111.46 2jiy h THR 182 Ca 0.05 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 2jiy h THR 182 Cb 0.42 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2jiy h THR 182 CO 0.01 0.33 0.20 -1.13 0.37 0.00 0.00 175.52 175.31 2jiy h ASN 183 N 0.63 0.57 -0.78 4.18 -0.73 -0.82 0.19 115.58 118.82 2jiy h ASN 183 Ca 0.12 -0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.10 2jiy h ASN 183 Cb 0.44 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.85 2jiy h ASN 183 CO 0.02 0.55 0.28 0.00 -0.37 0.00 0.00 177.43 177.91 2jiy h ALA 184 N 1.05 1.02 -0.18 1.57 0.00 -1.13 -0.04 119.26 121.55 2jiy h ALA 184 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jiy h ALA 184 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jiy h ALA 184 CO -0.02 0.67 0.12 1.25 0.00 0.00 0.00 179.25 181.27 2jiy h LEU 185 N 1.14 0.21 -0.91 0.00 5.85 -1.10 -1.00 115.31 119.50 2jiy h LEU 185 Ca 0.25 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 2jiy h LEU 185 Cb 0.26 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2jiy h LEU 185 CO -0.01 0.16 0.27 0.00 -0.34 0.00 0.00 178.44 178.52 2jiy h ALA 186 N 1.06 1.13 -0.15 1.25 0.00 -0.70 -1.29 119.26 120.56 2jiy h ALA 186 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jiy h ALA 186 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jiy h ALA 186 CO -0.01 0.62 0.07 1.25 0.00 0.00 0.00 179.25 181.17 2jiy h LEU 187 N 1.04 0.20 -0.14 0.00 5.85 -0.85 -0.14 115.31 121.27 2jiy h LEU 187 Ca 0.24 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2jiy h LEU 187 Cb 0.22 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 2jiy h LEU 187 CO -0.02 0.29 -0.26 0.00 -0.34 0.00 0.00 178.44 178.12 2jiy h ALA 188 N 0.92 -0.24 -0.72 1.25 0.00 -0.91 -0.86 119.26 118.70 2jiy h ALA 188 Ca 0.05 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2jiy h ALA 188 Cb 0.15 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2jiy h ALA 188 CO -0.01 -0.72 0.19 -0.07 0.00 0.00 0.00 179.25 178.65 2jiy h LEU 189 N -0.32 1.07 -0.03 0.00 3.38 -1.11 -0.74 115.31 117.56 2jiy h LEU 189 Ca 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jiy h LEU 189 Cb 0.48 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jiy h LEU 189 CO -0.32 1.02 0.00 -0.74 0.09 0.00 0.00 178.44 178.49 2jiy h HIS 190 N 1.08 0.06 -0.26 1.13 2.76 -0.82 0.11 115.15 119.22 2jiy h HIS 190 Ca 0.23 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2jiy h HIS 190 Cb 0.35 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2jiy h HIS 190 CO 0.03 0.33 0.11 0.78 -1.30 0.00 0.00 177.93 177.88 2jiy h GLY 191 N -0.22 0.33 1.02 5.26 0.00 -1.06 -2.31 103.07 106.09 2jiy h GLY 191 Ca 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2jiy h GLY 191 CO 0.00 0.06 0.33 0.00 0.00 0.00 0.00 176.54 176.93 2jiy h ALA 192 N 1.14 0.95 0.50 3.60 0.00 -1.10 -2.15 119.26 122.20 2jiy h ALA 192 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2jiy h ALA 192 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jiy h ALA 192 CO -0.09 0.54 -0.24 1.25 0.00 0.00 0.00 179.25 180.71 2jiy h LEU 193 N 1.04 -0.56 -0.56 0.00 5.85 -0.47 0.10 115.31 120.70 2jiy h LEU 193 Ca 0.25 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.99 2jiy h LEU 193 Cb 0.16 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2jiy h LEU 193 CO -0.03 -0.28 0.23 0.58 -0.34 0.00 0.00 178.44 178.60 2jiy h VAL 194 N -0.84 0.85 -0.25 1.05 2.07 -1.46 -1.64 116.25 116.04 2jiy h VAL 194 Ca -0.07 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2jiy h VAL 194 Cb 0.58 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2jiy h VAL 194 CO 0.11 0.08 -0.22 -0.07 0.02 0.00 0.00 177.57 177.49 2jiy h LEU 195 N 0.44 0.45 -1.55 2.57 3.38 -1.26 -0.88 115.31 118.46 2jiy h LEU 195 Ca 0.27 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2jiy h LEU 195 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jiy h LEU 195 CO -0.24 0.68 -0.22 0.77 0.09 0.00 0.00 178.44 179.52 2jiy h SER 196 N 0.41 0.00 0.22 -0.43 4.64 0.12 0.11 113.55 118.61 2jiy h SER 196 Ca 0.06 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.04 2jiy h SER 196 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2jiy h SER 196 CO 0.04 0.22 -1.76 0.00 -0.87 0.00 0.00 176.83 174.46 2jiy h ALA 197 N 1.78 0.21 0.00 5.18 0.00 -0.93 -3.32 119.26 122.19 2jiy h ALA 197 Ca -0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 54.91 53.61 2jiy h ALA 197 Cb 0.52 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2jiy h ALA 197 CO 0.03 1.08 -0.59 0.00 0.00 0.00 0.00 179.25 179.77 2jiy h ALA 198 N 0.16 0.83 -2.40 0.00 0.00 -1.06 -0.11 119.26 116.68 2jiy h ALA 198 Ca -0.34 -0.54 -0.60 0.00 0.00 0.00 0.00 54.91 53.43 2jiy h ALA 198 Cb 2.08 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 19.37 2jiy h ALA 198 CO 0.16 0.74 -0.72 0.09 0.00 0.00 0.00 179.25 179.52 2jiy n ASN 199 N -3.55 2.49 -2.97 0.00 3.02 0.37 -4.82 115.26 109.79 2jiy n ASN 199 Ca -0.00 -3.14 -0.14 0.00 -0.03 0.00 0.00 54.58 51.26 2jiy n ASN 199 Cb 0.66 -0.67 0.11 0.00 -0.61 0.00 0.00 39.78 39.26 2jiy n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2jiy n PRO 200 N 1.43 -1.37 -1.67 3.52 -0.04 -1.25 -4.67 135.00 130.96 2jiy n PRO 200 Ca 0.26 -0.92 -0.40 0.00 -0.04 0.00 0.00 63.50 62.40 2jiy n PRO 200 Cb 0.42 -0.73 0.02 0.00 -0.04 0.00 0.00 33.50 33.18 2jiy n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jiy n GLU 201 N -2.76 1.53 -1.56 0.54 1.02 -1.26 -4.80 120.64 113.34 2jiy n GLU 201 Ca 0.08 0.55 -0.56 0.00 -0.02 0.00 0.00 57.16 57.21 2jiy n GLU 201 Cb 0.28 -2.28 -0.07 0.00 -0.02 0.00 0.00 31.44 29.36 2jiy n GLU 201 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jiy n LYS 202 N -0.30 0.63 -0.05 3.49 4.81 -1.26 -1.45 118.16 124.02 2jiy n LYS 202 Ca 0.09 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 2jiy n LYS 202 Cb 0.42 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.66 2jiy n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jiy n GLY 203 N 2.21 1.78 3.91 3.14 0.00 -1.26 -5.03 105.19 109.94 2jiy n GLY 203 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2jiy n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jiy s LYS 204 N -0.38 3.59 0.54 1.61 1.02 -0.53 -5.06 119.74 120.53 2jiy s LYS 204 Ca 0.00 0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.82 2jiy s LYS 204 Cb 0.00 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2jiy s LYS 204 CO 0.00 0.06 1.21 -1.21 -0.92 0.00 0.00 175.35 174.49 2jiy s GLU 205 N -4.08 3.30 0.20 1.68 2.02 -1.26 -4.79 118.70 115.77 2jiy s GLU 205 Ca 0.45 1.85 -0.32 0.00 0.02 0.00 0.00 54.97 56.97 2jiy s GLU 205 Cb -0.10 -2.14 -0.15 0.00 0.10 0.00 0.00 34.13 31.84 2jiy s GLU 205 CO 0.35 -0.95 1.29 -1.33 0.02 0.00 0.00 175.26 174.65 2jiy n MET 206 N -1.11 1.60 -1.67 1.61 2.81 -1.26 -4.76 117.12 114.33 2jiy n MET 206 Ca 0.11 0.57 -0.29 0.00 -1.81 0.00 0.00 57.70 56.28 2jiy n MET 206 Cb 0.49 -2.15 0.14 0.00 -0.71 0.00 0.00 33.22 30.98 2jiy n MET 206 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2jiy s ARG 207 N -0.34 1.11 0.37 0.03 1.81 -0.06 -5.03 118.95 116.84 2jiy s ARG 207 Ca 0.71 0.09 0.08 0.00 -1.72 0.00 0.00 55.73 54.89 2jiy s ARG 207 Cb -0.75 -1.85 -0.05 0.00 -0.45 0.00 0.00 34.95 31.85 2jiy s ARG 207 CO 0.50 -2.18 0.17 0.95 -0.68 0.00 0.00 175.30 174.06 2jiy s THR 208 N -3.45 2.68 0.57 0.02 -4.23 -1.26 -4.72 115.64 105.25 2jiy s THR 208 Ca 0.66 -1.69 0.27 0.00 -1.18 0.00 0.00 61.69 59.74 2jiy s THR 208 Cb -0.11 -2.97 0.35 0.00 1.34 0.00 0.00 72.50 71.10 2jiy s THR 208 CO 0.52 -0.10 2.15 1.55 -0.54 0.00 0.00 174.62 178.21 2jiy h PRO 209 N 1.48 0.00 -0.94 3.99 0.13 -1.99 -1.22 132.00 133.45 2jiy h PRO 209 Ca -0.43 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 2jiy h PRO 209 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2jiy h PRO 209 CO 0.66 0.00 0.61 -0.44 -0.23 0.00 0.00 178.00 178.60 2jiy h ASP 210 N 0.00 1.00 -0.04 1.44 5.19 -1.99 0.00 116.42 122.02 2jiy h ASP 210 Ca 0.06 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 2jiy h ASP 210 Cb 0.29 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2jiy h ASP 210 CO -0.00 0.68 -0.16 0.45 -3.12 0.00 0.00 179.24 177.10 2jiy h HIS 211 N 1.16 0.40 -0.06 4.55 3.86 -1.62 -0.69 115.15 122.76 2jiy h HIS 211 Ca 0.38 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 2jiy h HIS 211 Cb 0.04 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2jiy h HIS 211 CO -0.00 0.52 -0.01 0.93 0.86 0.00 0.00 177.93 180.23 2jiy h GLU 212 N 0.35 0.11 -0.51 2.45 5.08 -0.85 -0.01 114.58 121.20 2jiy h GLU 212 Ca 0.06 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2jiy h GLU 212 Cb 0.48 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 2jiy h GLU 212 CO 0.03 0.45 0.14 -0.44 -1.00 0.00 0.00 179.01 178.18 2jiy h ASP 213 N -0.24 0.08 -0.50 1.42 3.32 -1.01 -2.88 116.42 116.62 2jiy h ASP 213 Ca 0.01 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2jiy h ASP 213 Cb 0.41 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2jiy h ASP 213 CO 0.01 0.07 0.14 0.74 -1.72 0.00 0.00 179.24 178.47 2jiy h THR 214 N 0.29 1.23 -0.38 0.35 2.02 -0.89 -0.71 112.91 114.81 2jiy h THR 214 Ca 0.25 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.70 2jiy h THR 214 Cb 0.31 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 2jiy h THR 214 CO -0.30 0.29 -0.03 0.15 0.37 0.00 0.00 175.52 176.01 2jiy h PHE 215 N 0.68 -0.07 0.00 3.16 3.57 -0.85 0.11 116.94 123.54 2jiy h PHE 215 Ca 0.16 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.50 2jiy h PHE 215 Cb 0.30 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2jiy h PHE 215 CO 0.02 -0.10 -0.87 0.74 -2.23 0.00 0.00 178.31 175.87 2jiy h PHE 216 N 0.07 0.23 -0.17 0.41 -1.00 -1.27 -0.80 116.94 114.41 2jiy h PHE 216 Ca 0.19 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2jiy h PHE 216 Cb 0.27 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2jiy h PHE 216 CO -0.28 0.94 0.00 0.00 -1.61 0.00 0.00 178.31 177.36 2jiy h ARG 217 N 0.08 0.31 -0.74 1.51 3.08 -0.81 0.21 114.38 118.01 2jiy h ARG 217 Ca -0.04 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.02 2jiy h ARG 217 Cb 1.50 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.44 2jiy h ARG 217 CO 0.13 0.52 0.38 -0.44 -1.07 0.00 0.00 179.97 179.48 2jiy h ASP 218 N 0.06 0.50 0.19 7.04 3.32 -0.66 0.10 116.42 126.97 2jiy h ASP 218 Ca 0.05 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2jiy h ASP 218 Cb 0.38 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2jiy h ASP 218 CO 0.01 0.28 -0.09 0.25 -1.72 0.00 0.00 179.24 177.97 2jiy h LEU 219 N 0.63 -0.21 -0.58 1.55 5.85 -0.91 -3.41 115.31 118.24 2jiy h LEU 219 Ca 0.37 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2jiy h LEU 219 Cb 0.40 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2jiy h LEU 219 CO -0.28 0.33 -0.08 1.33 -0.34 0.00 0.00 178.44 179.40 2jiy n VAL 220 N -4.93 0.00 -0.56 1.05 0.24 0.71 -5.01 118.33 109.83 2jiy n VAL 220 Ca -0.06 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2jiy n VAL 220 Cb 0.21 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 2jiy n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jiy n GLY 221 N 0.65 0.71 3.58 7.63 0.00 0.02 -5.00 105.19 112.78 2jiy n GLY 221 Ca 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 2jiy n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jiy s TYR 222 N -2.00 -0.66 -0.09 1.61 5.04 -1.24 -4.89 117.35 115.12 2jiy s TYR 222 Ca 0.00 1.41 0.02 0.00 -2.44 0.00 0.00 57.07 56.06 2jiy s TYR 222 Cb 0.00 0.35 0.02 0.00 0.35 0.00 0.00 41.96 42.68 2jiy s TYR 222 CO 0.00 -0.45 -0.12 0.45 -1.34 0.00 0.00 175.55 174.09 2jiy s SER 223 N -0.39 2.03 0.35 4.32 0.15 -1.26 -3.80 113.70 115.09 2jiy s SER 223 Ca -0.04 -0.33 0.16 0.00 0.70 0.00 0.00 55.95 56.44 2jiy s SER 223 Cb -0.03 -0.90 0.59 0.00 -1.71 0.00 0.00 66.02 63.98 2jiy s SER 223 CO 0.04 -0.00 1.70 -0.29 1.20 0.00 0.00 173.24 175.89 2jiy h ILE 224 N 6.01 1.05 0.00 6.45 2.10 -1.97 -3.50 117.51 127.64 2jiy h ILE 224 Ca -0.31 -1.68 0.00 0.00 1.08 0.00 0.00 64.86 63.95 2jiy h ILE 224 Cb 1.17 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.89 2jiy h ILE 224 CO 0.46 0.43 0.00 0.61 -1.08 0.00 0.00 178.15 178.58 2jiy n GLY 225 N 0.22 1.35 0.23 8.18 0.00 -1.26 -4.18 105.19 109.73 2jiy n GLY 225 Ca -0.01 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 2jiy n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jiy h THR 226 N 0.00 1.28 0.01 2.61 1.35 -1.97 -0.70 112.91 115.49 2jiy h THR 226 Ca 0.00 -1.35 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2jiy h THR 226 Cb 0.00 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2jiy h THR 226 CO 0.00 0.43 -0.01 0.25 -0.25 0.00 0.00 175.52 175.94 2jiy h LEU 227 N 0.44 -0.02 -0.89 3.87 5.85 -2.02 -3.32 115.31 119.22 2jiy h LEU 227 Ca 0.06 -0.61 0.17 0.00 0.84 0.00 0.00 57.88 58.34 2jiy h LEU 227 Cb 0.73 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 2jiy h LEU 227 CO 0.06 0.61 0.46 1.23 -0.34 0.00 0.00 178.44 180.46 2jiy h GLY 228 N -0.66 1.49 1.95 3.75 0.00 -1.67 -1.92 103.07 106.01 2jiy h GLY 228 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2jiy h GLY 228 CO 0.00 -0.09 -0.34 1.19 0.00 0.00 0.00 176.54 177.30 2jiy h ILE 229 N 0.60 1.26 0.20 2.60 6.09 -1.23 0.05 117.51 127.08 2jiy h ILE 229 Ca 0.51 -1.22 -0.32 0.00 -1.37 0.00 0.00 64.86 62.45 2jiy h ILE 229 Cb 0.79 1.61 0.03 0.00 0.47 0.00 0.00 36.82 39.73 2jiy h ILE 229 CO -0.40 0.35 -1.38 0.45 -3.07 0.00 0.00 178.15 174.11 2jiy h HIS 230 N 0.06 0.97 -0.69 2.19 3.86 -1.47 -1.27 115.15 118.79 2jiy h HIS 230 Ca 0.01 -0.67 0.06 0.00 -1.16 0.00 0.00 60.37 58.61 2jiy h HIS 230 Cb 0.63 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.99 2jiy h HIS 230 CO 0.00 1.51 0.39 0.00 0.86 0.00 0.00 177.93 180.70 2jiy h ARG 231 N 0.19 0.70 -0.03 2.45 3.08 -1.25 -2.25 114.38 117.28 2jiy h ARG 231 Ca -0.22 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2jiy h ARG 231 Cb 2.06 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.95 2jiy h ARG 231 CO 0.26 0.46 0.01 1.25 -1.07 0.00 0.00 179.97 180.88 2jiy h LEU 232 N 0.72 0.05 -0.68 3.04 5.85 -0.89 -0.79 115.31 122.61 2jiy h LEU 232 Ca 0.31 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jiy h LEU 232 Cb 0.19 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2jiy h LEU 232 CO -0.18 0.29 0.36 1.23 -0.34 0.00 0.00 178.44 179.80 2jiy h GLY 233 N -0.19 0.99 0.92 3.75 0.00 -1.18 0.15 103.07 107.51 2jiy h GLY 233 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2jiy h GLY 233 CO 0.00 0.13 0.10 -2.00 0.00 0.00 0.00 176.54 174.77 2jiy h LEU 234 N 0.66 0.54 -0.69 3.11 5.85 -1.26 -2.06 115.31 121.46 2jiy h LEU 234 Ca 0.31 -0.22 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 2jiy h LEU 234 Cb 0.23 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2jiy h LEU 234 CO -0.20 0.62 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.93 2jiy h LEU 235 N 0.43 0.41 -0.26 2.25 3.38 -0.53 -1.01 115.31 119.98 2jiy h LEU 235 Ca 0.11 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2jiy h LEU 235 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jiy h LEU 235 CO -0.00 0.85 -0.07 -0.07 0.09 0.00 0.00 178.44 179.23 2jiy h LEU 236 N 0.30 0.52 -0.31 1.67 3.38 -0.71 -0.61 115.31 119.54 2jiy h LEU 236 Ca 0.01 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2jiy h LEU 236 Cb 1.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2jiy h LEU 236 CO 0.09 0.77 0.04 0.28 0.09 0.00 0.00 178.44 179.71 2jiy h SER 237 N 0.26 0.49 0.01 -0.43 0.02 -1.30 -0.64 113.55 111.96 2jiy h SER 237 Ca 0.07 -0.27 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 2jiy h SER 237 Cb 0.55 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2jiy h SER 237 CO 0.03 0.64 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.85 2jiy h LEU 238 N 0.33 0.56 -0.59 5.07 3.38 -1.22 -2.75 115.31 120.09 2jiy h LEU 238 Ca 0.09 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2jiy h LEU 238 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2jiy h LEU 238 CO 0.01 0.93 0.04 0.28 0.09 0.00 0.00 178.44 179.78 2jiy h SER 239 N 0.42 0.98 -0.39 -0.43 0.02 -1.00 0.45 113.55 113.60 2jiy h SER 239 Ca 0.03 -0.29 0.08 0.00 -0.84 0.00 0.00 61.79 60.77 2jiy h SER 239 Cb 0.95 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 63.14 2jiy h SER 239 CO 0.08 1.03 -0.13 0.00 -1.14 0.00 0.00 176.83 176.67 2jiy h ALA 240 N 0.99 0.20 -0.06 3.77 0.00 -1.02 -1.28 119.26 121.87 2jiy h ALA 240 Ca 0.17 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2jiy h ALA 240 Cb 0.50 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jiy h ALA 240 CO 0.02 -0.49 -0.68 0.28 0.00 0.00 0.00 179.25 178.38 2jiy h VAL 241 N -0.04 1.41 -0.32 0.00 2.07 -1.28 -1.17 116.25 116.91 2jiy h VAL 241 Ca 0.19 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 2jiy h VAL 241 Cb 0.33 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2jiy h VAL 241 CO -0.42 0.63 0.19 0.15 0.02 0.00 0.00 177.57 178.14 2jiy h PHE 242 N 0.19 0.43 0.00 1.57 3.57 -0.60 -1.12 116.94 120.97 2jiy h PHE 242 Ca -0.02 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 2jiy h PHE 242 Cb 1.23 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2jiy h PHE 242 CO 0.03 0.33 -0.55 0.74 -2.23 0.00 0.00 178.31 176.63 2jiy h PHE 243 N 0.41 0.00 0.43 0.41 0.04 -1.18 -1.27 116.94 115.78 2jiy h PHE 243 Ca 0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2jiy h PHE 243 Cb 0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 2jiy h PHE 243 CO -0.04 0.55 -0.25 0.77 -0.60 0.00 0.00 178.31 178.74 2jiy h SER 244 N 0.00 -0.62 -0.58 2.17 0.02 -0.95 0.51 113.55 114.09 2jiy h SER 244 Ca -0.01 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2jiy h SER 244 Cb 1.18 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.85 2jiy h SER 244 CO 0.07 -0.40 0.29 0.00 -1.14 0.00 0.00 176.83 175.64 2jiy h ALA 245 N -0.10 0.76 -0.55 3.77 0.00 -1.04 -2.33 119.26 119.77 2jiy h ALA 245 Ca -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jiy h ALA 245 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2jiy h ALA 245 CO 0.06 -0.07 0.30 1.25 0.00 0.00 0.00 179.25 180.78 2jiy h LEU 246 N 0.54 0.69 -1.61 0.00 5.85 -1.10 0.17 115.31 119.85 2jiy h LEU 246 Ca 0.27 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2jiy h LEU 246 Cb 0.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2jiy h LEU 246 CO -0.20 0.59 -0.21 0.00 -0.34 0.00 0.00 178.44 178.28 2jiy h MET 248 N 0.00 0.23 0.00 0.00 2.86 -1.20 -3.32 114.93 113.51 2jiy h MET 248 Ca -0.00 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.19 2jiy h MET 248 Cb 0.41 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2jiy h MET 248 CO 0.03 1.08 -0.21 0.97 1.06 0.00 0.00 176.91 179.84 2jiy h ILE 249 N 0.06 1.03 -0.00 -1.22 6.09 -0.71 -2.01 117.51 120.75 2jiy h ILE 249 Ca -0.35 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 2jiy h ILE 249 Cb 2.04 1.42 0.00 0.00 0.47 0.00 0.00 36.82 40.75 2jiy h ILE 249 CO 0.11 0.21 -0.22 2.30 -3.07 0.00 0.00 178.15 177.48 2jiy n ILE 250 N -4.11 0.00 -3.45 2.19 -5.35 -1.02 -4.60 119.36 103.03 2jiy n ILE 250 Ca -0.02 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.06 2jiy n ILE 250 Cb 0.28 -0.13 -0.10 0.00 -1.74 0.00 0.00 39.64 37.96 2jiy n ILE 250 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2jiy s THR 251 N -2.92 5.22 0.00 7.28 2.01 -0.76 -1.54 115.64 124.93 2jiy s THR 251 Ca 0.15 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2jiy s THR 251 Cb 0.19 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2jiy s THR 251 CO 0.59 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 2jiy n GLY 252 N 4.81 0.86 0.00 4.40 0.00 0.45 -4.90 105.19 110.81 2jiy n GLY 252 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jiy n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jiy n THR 253 N -2.00 0.00 -0.06 2.61 -2.24 -1.23 -4.86 114.28 106.50 2jiy n THR 253 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2jiy n THR 253 Cb 0.00 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.77 2jiy n THR 253 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jiy h ILE 254 N 0.00 1.28 -3.25 2.28 1.08 -1.78 -3.43 117.51 113.70 2jiy h ILE 254 Ca 0.00 -1.77 -0.55 0.00 -0.39 0.00 0.00 64.86 62.15 2jiy h ILE 254 Cb 0.00 1.76 -0.35 0.00 -3.07 0.00 0.00 36.82 35.15 2jiy h ILE 254 CO 0.00 0.57 -0.82 0.86 -0.69 0.00 0.00 178.15 178.07 2jiy s TRP 255 N -4.02 1.69 0.00 1.37 -0.11 -0.59 -5.00 118.94 112.28 2jiy s TRP 255 Ca -0.11 -0.80 0.00 0.00 1.22 0.00 0.00 56.10 56.41 2jiy s TRP 255 Cb 0.09 -1.29 0.00 0.00 -1.50 0.00 0.00 33.47 30.77 2jiy s TRP 255 CO 0.89 -0.47 0.56 1.97 -4.62 0.00 0.00 176.95 175.27 2jiy n PHE 256 N 4.46 0.00 -2.64 5.86 1.16 -1.26 -0.41 117.46 124.63 2jiy n PHE 256 Ca -0.17 -0.12 -0.01 0.00 -1.87 0.00 0.00 57.45 55.28 2jiy n PHE 256 Cb 0.51 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 2jiy n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2jiy n ASP 257 N -0.12 0.06 -4.67 5.98 8.00 -1.26 -4.91 116.55 119.63 2jiy n ASP 257 Ca 0.00 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.03 2jiy n ASP 257 Cb 0.38 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 2jiy n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2jiy s GLN 258 N -2.28 4.24 0.48 -1.24 -1.52 -1.26 -4.73 119.66 113.35 2jiy s GLN 258 Ca 0.02 1.92 0.19 0.00 -1.95 0.00 0.00 55.36 55.55 2jiy s GLN 258 Cb -0.00 -3.74 1.21 0.00 -0.22 0.00 0.00 33.01 30.27 2jiy s GLN 258 CO 0.02 -0.68 1.99 -1.49 -0.25 0.00 0.00 175.29 174.88 2jiy h TRP 259 N 8.37 0.22 -0.59 0.91 4.06 -1.66 -0.91 115.95 126.35 2jiy h TRP 259 Ca -0.35 0.01 0.07 0.00 2.06 0.00 0.00 58.89 60.68 2jiy h TRP 259 Cb 1.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 29.21 2jiy h TRP 259 CO 0.80 0.10 0.39 -0.24 -3.56 0.00 0.00 178.44 175.93 2jiy h VAL 260 N 0.20 0.97 0.00 1.49 3.04 -1.82 -2.04 116.25 118.09 2jiy h VAL 260 Ca 0.26 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.76 2jiy h VAL 260 Cb 0.77 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2jiy h VAL 260 CO -0.05 0.09 -0.10 0.44 -1.01 0.00 0.00 177.57 176.95 2jiy h ASP 261 N 0.51 0.00 -0.93 3.17 3.32 -1.55 -3.07 116.42 117.87 2jiy h ASP 261 Ca 0.26 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.45 2jiy h ASP 261 Cb 0.36 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 2jiy h ASP 261 CO -0.07 0.10 0.59 -0.25 -1.72 0.00 0.00 179.24 177.88 2jiy h TRP 262 N 0.00 0.92 0.00 4.55 7.01 -1.46 -2.00 115.95 124.97 2jiy h TRP 262 Ca -0.00 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.03 2jiy h TRP 262 Cb 0.76 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 2jiy h TRP 262 CO 0.00 0.33 0.00 0.91 -2.79 0.00 0.00 178.44 176.89 2jiy n TRP 263 N -4.59 0.68 0.33 2.65 7.02 -1.16 -2.53 117.44 119.84 2jiy n TRP 263 Ca 0.18 0.30 0.22 0.00 -1.02 0.00 0.00 57.50 57.18 2jiy n TRP 263 Cb 0.46 -0.98 1.14 0.00 -2.42 0.00 0.00 31.31 29.51 2jiy n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2jiy h GLN 264 N 0.00 0.00 -0.91 -0.99 4.20 -1.57 -2.83 115.11 113.01 2jiy h GLN 264 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2jiy h GLN 264 Cb 0.22 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 2jiy h GLN 264 CO 0.00 0.00 0.59 0.11 -0.67 0.00 0.00 178.83 178.87 2jiy h TRP 265 N 0.00 1.12 -0.05 2.96 5.08 -1.71 -0.60 115.95 122.75 2jiy h TRP 265 Ca -0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 2jiy h TRP 265 Cb 0.05 -0.37 -0.00 0.00 -3.00 0.00 0.00 29.16 25.83 2jiy h TRP 265 CO 0.00 0.66 -0.01 2.35 -1.28 0.00 0.00 178.44 180.16 2jiy h TRP 266 N 1.17 0.11 -0.14 0.12 2.91 -1.77 -3.14 115.95 115.21 2jiy h TRP 266 Ca 0.35 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.33 2jiy h TRP 266 Cb -0.04 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 2jiy h TRP 266 CO -0.01 0.44 -0.02 0.28 -1.03 0.00 0.00 178.44 178.10 2jiy h VAL 267 N -0.26 1.11 -0.52 2.65 2.07 -1.53 -2.51 116.25 117.26 2jiy h VAL 267 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2jiy h VAL 267 Cb 0.41 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2jiy h VAL 267 CO 0.01 0.14 0.00 0.29 0.02 0.00 0.00 177.57 178.02 2jiy n LYS 268 N -4.39 2.52 -1.72 1.57 4.76 -0.26 -4.03 118.16 116.61 2jiy n LYS 268 Ca -0.01 -1.99 -0.43 0.00 -2.87 0.00 0.00 58.31 53.02 2jiy n LYS 268 Cb 0.17 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 2jiy n LYS 268 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2jiy n LEU 269 N 0.96 4.00 -0.23 -0.35 4.77 -0.95 -4.71 117.00 120.49 2jiy n LEU 269 Ca 0.18 1.16 0.02 0.00 -0.03 0.00 0.00 56.01 57.34 2jiy n LEU 269 Cb 0.54 -1.54 0.27 0.00 -2.33 0.00 0.00 43.42 40.35 2jiy n LEU 269 CO 0.14 -0.07 1.24 1.55 -1.33 0.00 0.00 177.39 178.92 2jiy h PRO 270 N 4.32 0.94 0.00 3.23 0.13 -1.92 0.23 132.00 138.93 2jiy h PRO 270 Ca -0.47 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2jiy h PRO 270 Cb 1.24 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2jiy h PRO 270 CO 0.76 0.62 -0.16 0.11 -0.23 0.00 0.00 178.00 179.10 2jiy h TRP 271 N 0.97 0.00 0.00 1.56 0.09 -1.98 -3.27 115.95 113.32 2jiy h TRP 271 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.29 2jiy h TRP 271 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.26 2jiy h TRP 271 CO -0.00 0.16 0.00 -2.67 0.09 0.00 0.00 178.44 176.02 2jiy n TRP 272 N -3.61 0.00 -0.31 0.12 2.14 -1.04 -4.87 117.44 109.87 2jiy n TRP 272 Ca -0.01 0.00 0.15 0.00 2.07 0.00 0.00 57.50 59.71 2jiy n TRP 272 Cb 0.30 0.00 0.34 0.00 -0.81 0.00 0.00 31.31 31.14 2jiy n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2jiy h ALA 273 N 0.00 1.54 -0.36 -1.67 0.00 -1.01 -2.59 119.26 115.17 2jiy h ALA 273 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jiy h ALA 273 Cb 0.08 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jiy h ALA 273 CO 0.00 -0.38 0.00 0.09 0.00 0.00 0.00 179.25 178.96 2jiy n ASN 274 N -5.05 3.03 -4.66 0.00 4.13 -1.26 -4.94 115.26 106.50 2jiy n ASN 274 Ca 0.24 -2.06 -0.43 0.00 1.68 0.00 0.00 54.58 54.02 2jiy n ASN 274 Cb 0.72 -0.26 -0.02 0.00 -1.54 0.00 0.00 39.78 38.68 2jiy n ASN 274 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jiy s ILE 275 N -1.10 3.92 0.87 2.41 1.01 -0.98 -4.99 121.20 122.34 2jiy s ILE 275 Ca 0.25 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.94 2jiy s ILE 275 Cb 0.14 -3.74 0.11 0.00 0.01 0.00 0.00 42.46 38.99 2jiy s ILE 275 CO 0.16 -0.09 1.10 -2.84 0.00 0.00 0.00 174.94 173.27 2jiy s PRO 276 N 3.55 1.45 0.02 2.79 0.02 -1.26 -4.76 135.00 136.81 2jiy s PRO 276 Ca 0.64 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.79 2jiy s PRO 276 Cb -0.28 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2jiy s PRO 276 CO 0.22 -2.20 0.00 0.41 -0.33 0.00 0.00 177.00 175.11 2jiy n GLY 277 N -0.72 -3.75 7.00 0.52 0.00 -1.26 -4.97 105.19 102.02 2jiy n GLY 277 Ca 0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2jiy n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jiy n GLY 278 N -0.11 -0.57 0.13 -0.02 0.00 -1.26 -2.49 105.19 100.86 2jiy n GLY 278 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 2jiy n GLY 278 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jiy h ILE 279 N 0.00 1.35 -0.96 -0.61 1.08 -1.99 -3.36 117.51 113.02 2jiy h ILE 279 Ca 0.00 -2.59 -0.51 0.00 -0.39 0.00 0.00 64.86 61.37 2jiy h ILE 279 Cb 0.00 3.08 -0.30 0.00 -3.07 0.00 0.00 36.82 36.53 2jiy h ILE 279 CO 0.00 0.76 0.62 0.59 -0.69 0.00 0.00 178.15 179.43 2jiy n ASN 280 N -3.92 3.90 0.00 1.72 3.02 -1.26 -5.27 115.26 113.45 2jiy n ASN 280 Ca -0.17 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.75 2jiy n ASN 280 Cb 0.96 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2jiy n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25