#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r3s n PRO 12 N 0.00 1.61 -2.21 -1.08 -0.02 -1.26 -4.93 135.00 127.10 1r3s n PRO 12 Ca 0.00 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 1r3s n PRO 12 Cb 0.00 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 1r3s n PRO 12 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1r3s s GLU 13 N -2.55 4.41 0.13 -0.52 2.12 -1.26 -4.55 118.70 116.49 1r3s s GLU 13 Ca 0.68 2.08 -0.31 0.00 0.36 0.00 0.00 54.97 57.78 1r3s s GLU 13 Cb -0.46 -3.14 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 1r3s s GLU 13 CO 0.53 -0.16 1.50 -1.17 -0.54 0.00 0.00 175.26 175.41 1r3s s LEU 14 N -0.95 4.37 -0.17 2.70 2.96 -1.26 -4.30 118.68 122.03 1r3s s LEU 14 Ca 0.52 2.47 -0.14 0.00 -0.22 0.00 0.00 54.13 56.76 1r3s s LEU 14 Cb -0.37 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.64 1r3s s LEU 14 CO 0.44 -0.76 -0.07 0.29 -1.32 0.00 0.00 176.35 174.94 1r3s n LYS 15 N 4.14 0.50 -3.59 1.98 5.02 0.62 -4.80 118.16 122.03 1r3s n LYS 15 Ca 0.13 0.51 -0.40 0.00 -2.02 0.00 0.00 58.31 56.53 1r3s n LYS 15 Cb 0.40 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1r3s n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1r3s s ASN 16 N -6.20 5.68 -0.15 4.39 2.47 -1.08 -4.92 114.94 115.13 1r3s s ASN 16 Ca -0.21 -1.40 0.15 0.00 0.42 0.00 0.00 52.86 51.82 1r3s s ASN 16 Cb 0.04 -2.00 0.54 0.00 -1.45 0.00 0.00 41.25 38.38 1r3s s ASN 16 CO 0.37 -0.52 1.45 -0.90 -3.72 0.00 0.00 177.10 173.78 1r3s n ASP 17 N 4.95 3.99 -0.25 -4.21 5.75 -1.26 -4.11 116.55 121.41 1r3s n ASP 17 Ca -0.11 -2.79 -0.00 0.00 -0.01 0.00 0.00 54.79 51.88 1r3s n ASP 17 Cb 0.43 -0.51 0.12 0.00 -1.03 0.00 0.00 41.12 40.14 1r3s n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1r3s h THR 18 N 2.25 0.94 -0.80 2.12 2.02 -1.91 -0.86 112.91 116.67 1r3s h THR 18 Ca 0.00 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.02 1r3s h THR 18 Cb 1.38 0.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 1r3s h THR 18 CO 0.22 0.13 0.46 0.15 0.37 0.00 0.00 175.52 176.84 1r3s h PHE 19 N 0.70 0.84 -0.23 3.16 3.57 -1.85 -0.73 116.94 122.40 1r3s h PHE 19 Ca 0.33 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.73 1r3s h PHE 19 Cb 0.25 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1r3s h PHE 19 CO -0.08 0.38 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.96 1r3s h LEU 20 N 0.81 0.71 -0.39 0.59 3.38 -1.55 -1.38 115.31 117.48 1r3s h LEU 20 Ca 0.37 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1r3s h LEU 20 Cb 0.28 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1r3s h LEU 20 CO -0.22 1.09 0.20 0.03 0.09 0.00 0.00 178.44 179.63 1r3s h ARG 21 N 0.35 0.40 -0.82 1.13 3.08 -1.17 -1.46 114.38 115.89 1r3s h ARG 21 Ca 0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1r3s h ARG 21 Cb 0.93 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1r3s h ARG 21 CO 0.08 0.26 0.49 0.00 -1.07 0.00 0.00 179.97 179.74 1r3s h ALA 22 N 1.20 1.04 -0.83 0.04 0.00 -1.10 -1.22 119.26 118.39 1r3s h ALA 22 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1r3s h ALA 22 Cb 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1r3s h ALA 22 CO -0.11 0.51 0.55 0.00 0.00 0.00 0.00 179.25 180.20 1r3s h ALA 23 N 1.27 1.41 -0.00 0.00 0.00 -0.58 -1.59 119.26 119.76 1r3s h ALA 23 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1r3s h ALA 23 Cb -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1r3s h ALA 23 CO -0.06 0.55 -0.04 0.91 0.00 0.00 0.00 179.25 180.61 1r3s n TRP 24 N -4.41 0.00 -0.16 0.00 7.02 -0.61 -4.60 117.44 114.68 1r3s n TRP 24 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1r3s n TRP 24 Cb 0.02 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.45 1r3s n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r3s n GLY 25 N 1.48 0.91 3.83 6.99 0.00 -0.60 -5.02 105.19 112.78 1r3s n GLY 25 Ca 0.07 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1r3s n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r3s s GLU 26 N -0.66 4.15 0.35 1.61 2.02 -0.50 -4.73 118.70 120.94 1r3s s GLU 26 Ca 0.00 1.07 -0.28 0.00 0.02 0.00 0.00 54.97 55.78 1r3s s GLU 26 Cb 0.00 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.96 1r3s s GLU 26 CO 0.00 -0.09 1.28 -2.00 0.02 0.00 0.00 175.26 174.47 1r3s s GLU 27 N -3.42 4.27 0.24 1.61 2.56 -1.26 -4.26 118.70 118.44 1r3s s GLU 27 Ca 0.61 2.15 0.05 0.00 0.00 0.00 0.00 54.97 57.78 1r3s s GLU 27 Cb -0.09 -2.98 -0.05 0.00 2.00 0.00 0.00 34.13 33.00 1r3s s GLU 27 CO 0.18 -0.24 -0.04 0.95 -0.56 0.00 0.00 175.26 175.56 1r3s s THR 28 N -1.19 1.28 -0.28 -1.70 -4.23 -1.26 -4.92 115.64 103.34 1r3s s THR 28 Ca 0.51 -2.07 0.27 0.00 -1.18 0.00 0.00 61.69 59.21 1r3s s THR 28 Cb -0.38 -2.32 0.35 0.00 1.34 0.00 0.00 72.50 71.48 1r3s s THR 28 CO 0.50 -0.36 1.75 0.44 -0.54 0.00 0.00 174.62 176.41 1r3s h ASP 29 N 2.44 0.00 -5.14 3.99 3.32 -1.99 -3.45 116.42 115.59 1r3s h ASP 29 Ca -0.39 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1r3s h ASP 29 Cb 1.22 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 1r3s h ASP 29 CO 0.65 0.00 0.03 -0.72 -1.72 0.00 0.00 179.24 177.48 1r3s s TYR 30 N -3.36 0.13 -0.21 4.55 -0.85 -1.26 -4.60 117.35 111.75 1r3s s TYR 30 Ca 0.05 -0.54 -0.19 0.00 -0.52 0.00 0.00 57.07 55.87 1r3s s TYR 30 Cb 0.07 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1r3s s TYR 30 CO 0.61 -1.10 0.56 0.99 -1.52 0.00 0.00 175.55 175.09 1r3s s THR 31 N -3.95 5.06 0.52 -3.49 2.01 -1.26 -5.04 115.64 109.49 1r3s s THR 31 Ca 0.18 1.03 -0.18 0.00 0.31 0.00 0.00 61.69 63.03 1r3s s THR 31 Cb -0.03 -3.88 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1r3s s THR 31 CO 0.08 0.13 1.03 -2.16 -0.69 0.00 0.00 174.62 173.02 1r3s s PRO 32 N 1.88 3.69 0.00 4.92 0.04 -1.26 -4.56 135.00 139.71 1r3s s PRO 32 Ca 0.25 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1r3s s PRO 32 Cb -0.16 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1r3s s PRO 32 CO 0.10 -0.51 -0.01 0.54 0.04 0.00 0.00 177.00 177.16 1r3s s VAL 33 N -2.22 0.04 0.25 -0.36 0.11 -1.26 -1.43 120.40 115.53 1r3s s VAL 33 Ca 0.65 -0.21 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 1r3s s VAL 33 Cb -0.15 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1r3s s VAL 33 CO 0.26 -0.11 0.36 -1.66 -3.33 0.00 0.00 175.10 170.62 1r3s s TRP 34 N -0.33 0.79 -0.07 1.54 1.48 -1.01 -0.88 118.94 120.47 1r3s s TRP 34 Ca -0.03 -1.07 0.03 0.00 -1.06 0.00 0.00 56.10 53.96 1r3s s TRP 34 Cb -0.02 -0.13 0.01 0.00 -1.16 0.00 0.00 33.47 32.17 1r3s s TRP 34 CO -0.00 -0.90 -0.13 0.00 -4.06 0.00 0.00 176.95 171.85 1r3s s MET 36 N 0.60 4.20 -1.55 0.00 -1.94 -1.26 -1.31 119.30 118.04 1r3s s MET 36 Ca -0.14 2.44 -0.02 0.00 -1.71 0.00 0.00 55.69 56.26 1r3s s MET 36 Cb -0.16 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.68 1r3s s MET 36 CO 0.04 -0.41 0.15 0.54 -0.01 0.00 0.00 175.02 175.34 1r3s n ARG 37 N 0.69 -2.58 0.07 2.03 1.74 -1.26 -1.52 116.66 115.83 1r3s n ARG 37 Ca 0.01 0.87 0.08 0.00 -0.77 0.00 0.00 57.85 58.04 1r3s n ARG 37 Cb 0.40 -5.56 0.54 0.00 -1.02 0.00 0.00 32.46 26.81 1r3s n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1r3s h GLN 38 N -0.34 0.28 -5.41 5.56 3.07 -1.60 -3.06 115.11 113.60 1r3s h GLN 38 Ca -0.45 -0.02 -0.65 0.00 0.09 0.00 0.00 58.65 57.62 1r3s h GLN 38 Cb 1.33 -0.06 -0.15 0.00 0.08 0.00 0.00 27.48 28.68 1r3s h GLN 38 CO 0.53 0.18 0.27 0.00 0.09 0.00 0.00 178.83 179.90 1r3s s ALA 39 N -5.29 3.29 0.17 0.06 0.00 -1.26 -4.55 121.76 114.19 1r3s s ALA 39 Ca -0.07 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 50.22 1r3s s ALA 39 Cb 0.18 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.87 1r3s s ALA 39 CO 0.71 -2.12 0.99 0.20 0.00 0.00 0.00 175.76 175.55 1r3s s GLY 40 N 2.62 -0.09 0.00 0.00 0.00 -1.16 -5.05 107.32 103.65 1r3s s GLY 40 Ca 0.23 -0.06 0.15 0.00 0.00 0.00 0.00 44.72 45.04 1r3s s GLY 40 CO 0.16 0.79 1.44 0.54 0.00 0.00 0.00 173.10 176.03 1r3s n ARG 41 N -0.55 0.13 0.27 2.90 1.74 -1.26 -1.41 116.66 118.47 1r3s n ARG 41 Ca -0.05 0.19 0.15 0.00 -0.77 0.00 0.00 57.85 57.37 1r3s n ARG 41 Cb 0.60 -1.50 0.67 0.00 -1.02 0.00 0.00 32.46 31.21 1r3s n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1r3s h TYR 42 N 0.00 0.00 -3.39 -1.55 -0.00 -1.78 -3.42 116.97 106.83 1r3s h TYR 42 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 58.73 58.13 1r3s h TYR 42 Cb 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 36.82 1r3s h TYR 42 CO 0.00 0.08 0.25 -0.51 -0.00 0.00 0.00 178.16 177.98 1r3s s LEU 43 N -6.49 4.11 0.34 0.10 1.43 -0.50 -4.47 118.68 113.20 1r3s s LEU 43 Ca -0.00 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 1r3s s LEU 43 Cb 0.10 -2.99 0.64 0.00 0.03 0.00 0.00 46.19 43.97 1r3s s LEU 43 CO 0.56 -0.37 1.95 -0.65 0.23 0.00 0.00 176.35 178.07 1r3s h PRO 44 N 7.62 0.86 0.00 1.29 0.11 -1.87 -1.53 132.00 138.48 1r3s h PRO 44 Ca -0.28 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 1r3s h PRO 44 Cb 1.12 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1r3s h PRO 44 CO 0.80 0.57 -0.30 1.05 -0.21 0.00 0.00 178.00 179.91 1r3s h GLU 45 N 0.88 0.00 -0.22 1.05 9.09 -1.94 -1.68 114.58 121.76 1r3s h GLU 45 Ca 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.71 1r3s h GLU 45 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.26 1r3s h GLU 45 CO -0.11 0.30 0.05 0.35 0.05 0.00 0.00 179.01 179.65 1r3s h PHE 46 N 0.00 0.38 -0.60 2.06 3.57 -1.55 -1.96 116.94 118.84 1r3s h PHE 46 Ca -0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1r3s h PHE 46 Cb 0.55 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1r3s h PHE 46 CO 0.00 0.48 0.34 0.00 -2.23 0.00 0.00 178.31 176.90 1r3s h ARG 47 N 0.18 0.84 -0.26 1.11 3.08 -1.12 -0.43 114.38 117.78 1r3s h ARG 47 Ca 0.07 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1r3s h ARG 47 Cb 0.29 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1r3s h ARG 47 CO 0.00 0.63 0.07 1.49 -1.07 0.00 0.00 179.97 181.09 1r3s h GLU 48 N 0.82 0.17 -0.61 0.04 4.57 -1.26 -0.05 114.58 118.25 1r3s h GLU 48 Ca 0.21 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 1r3s h GLU 48 Cb 0.03 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1r3s h GLU 48 CO -0.04 0.11 0.06 1.15 -1.18 0.00 0.00 179.01 179.12 1r3s h THR 49 N 0.17 1.26 0.00 0.32 2.02 -1.05 -2.84 112.91 112.80 1r3s h THR 49 Ca 0.12 -1.06 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 1r3s h THR 49 Cb 0.10 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1r3s h THR 49 CO -0.14 0.39 -0.48 0.03 0.37 0.00 0.00 175.52 175.69 1r3s h ARG 50 N 0.95 0.00 -0.32 6.66 2.47 -0.80 -3.29 114.38 120.05 1r3s h ARG 50 Ca 0.18 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 59.00 1r3s h ARG 50 Cb 0.47 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1r3s h ARG 50 CO 0.02 0.48 0.23 0.00 0.56 0.00 0.00 179.97 181.26 1r3s h ALA 51 N 1.52 2.30 -0.98 0.04 0.00 -0.75 -1.81 119.26 119.59 1r3s h ALA 51 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1r3s h ALA 51 Cb 0.90 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1r3s h ALA 51 CO 0.06 -0.40 0.64 0.00 0.00 0.00 0.00 179.25 179.55 1r3s h ALA 52 N 1.84 1.36 -1.94 0.00 0.00 -1.72 -3.46 119.26 115.35 1r3s h ALA 52 Ca 0.15 -0.05 -0.48 0.00 0.00 0.00 0.00 54.91 54.53 1r3s h ALA 52 Cb 0.62 -0.35 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 1r3s h ALA 52 CO -0.00 0.54 -0.58 -0.65 0.00 0.00 0.00 179.25 178.56 1r3s s GLN 53 N -6.05 1.71 0.64 0.00 1.11 -0.68 -5.12 119.66 111.28 1r3s s GLN 53 Ca -0.12 -1.98 -0.12 0.00 0.01 0.00 0.00 55.36 53.14 1r3s s GLN 53 Cb 0.19 -0.70 -0.02 0.00 -1.01 0.00 0.00 33.01 31.47 1r3s s GLN 53 CO 0.81 -0.30 1.05 0.16 0.01 0.00 0.00 175.29 177.02 1r3s s ASP 54 N -3.50 5.72 0.12 5.90 -4.77 -1.26 -4.86 116.67 114.02 1r3s s ASP 54 Ca 0.32 1.63 -0.20 0.00 -3.30 0.00 0.00 52.55 51.00 1r3s s ASP 54 Cb 0.07 -2.50 -0.06 0.00 -1.09 0.00 0.00 42.92 39.33 1r3s s ASP 54 CO 0.15 -1.21 1.74 0.15 0.70 0.00 0.00 175.17 176.70 1r3s h PHE 55 N -0.24 0.07 0.00 2.11 3.57 -1.93 -0.73 116.94 119.79 1r3s h PHE 55 Ca -0.45 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1r3s h PHE 55 Cb 1.21 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1r3s h PHE 55 CO 0.62 0.03 -0.24 0.74 -2.23 0.00 0.00 178.31 177.23 1r3s h PHE 56 N 0.12 0.00 -0.11 0.41 -1.00 -1.97 -1.51 116.94 112.87 1r3s h PHE 56 Ca 0.07 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.65 1r3s h PHE 56 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1r3s h PHE 56 CO -0.12 0.24 -0.76 1.03 -1.61 0.00 0.00 178.31 177.09 1r3s h SER 57 N 0.00 0.70 -0.52 2.17 0.87 -1.72 -3.06 113.55 111.99 1r3s h SER 57 Ca -0.00 -0.47 0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1r3s h SER 57 Cb 0.69 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1r3s h SER 57 CO 0.03 1.24 0.34 0.74 -0.53 0.00 0.00 176.83 178.65 1r3s h THR 58 N 0.40 1.12 -0.17 2.23 2.02 -0.69 -2.19 112.91 115.63 1r3s h THR 58 Ca -0.04 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.95 1r3s h THR 58 Cb 1.37 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1r3s h THR 58 CO 0.14 0.13 0.15 0.00 0.37 0.00 0.00 175.52 176.31 1r3s n ARG 60 N -4.10 1.67 -3.68 0.00 1.74 -0.83 -4.72 116.66 106.74 1r3s n ARG 60 Ca 0.01 -1.00 -0.39 0.00 -0.77 0.00 0.00 57.85 55.70 1r3s n ARG 60 Cb 0.28 -1.42 -0.11 0.00 -1.02 0.00 0.00 32.46 30.19 1r3s n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r3s s SER 61 N -1.70 5.47 0.25 0.55 0.15 -0.67 -4.98 113.70 112.77 1r3s s SER 61 Ca 0.34 -1.35 -0.03 0.00 0.70 0.00 0.00 55.95 55.61 1r3s s SER 61 Cb 0.18 -1.93 0.44 0.00 -1.71 0.00 0.00 66.02 63.01 1r3s s SER 61 CO 0.28 -0.44 1.80 -0.65 1.20 0.00 0.00 173.24 175.44 1r3s h PRO 62 N 8.30 0.73 -0.60 5.44 0.11 -1.84 -1.47 132.00 142.66 1r3s h PRO 62 Ca -0.22 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 1r3s h PRO 62 Cb 1.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1r3s h PRO 62 CO 0.68 0.48 0.07 0.93 -0.21 0.00 0.00 178.00 179.96 1r3s h GLU 63 N 0.75 1.00 -0.52 1.05 4.39 -1.94 -0.98 114.58 118.33 1r3s h GLU 63 Ca 0.42 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1r3s h GLU 63 Cb 0.45 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1r3s h GLU 63 CO -0.28 0.93 0.01 0.00 -1.16 0.00 0.00 179.01 178.52 1r3s h ALA 64 N 1.14 0.70 -0.61 3.43 0.00 -1.74 -1.71 119.26 120.48 1r3s h ALA 64 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1r3s h ALA 64 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1r3s h ALA 64 CO 0.01 0.51 0.19 0.00 0.00 0.00 0.00 179.25 179.97 1r3s h GLU 67 N 0.48 0.53 -0.22 0.00 4.57 -1.11 -1.16 114.58 117.66 1r3s h GLU 67 Ca 0.13 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1r3s h GLU 67 Cb 0.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1r3s h GLU 67 CO -0.02 0.37 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.89 1r3s h LEU 68 N 0.53 0.41 -0.57 1.64 3.38 -1.20 -1.71 115.31 117.79 1r3s h LEU 68 Ca 0.14 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1r3s h LEU 68 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1r3s h LEU 68 CO -0.03 0.64 0.04 0.74 0.09 0.00 0.00 178.44 179.92 1r3s h THR 69 N 0.37 1.26 0.00 0.22 2.02 -0.69 -3.18 112.91 112.91 1r3s h THR 69 Ca 0.06 -1.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.01 1r3s h THR 69 Cb 0.60 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1r3s h THR 69 CO 0.04 0.39 -0.74 -0.07 0.37 0.00 0.00 175.52 175.51 1r3s h LEU 70 N 0.87 0.00 -0.39 2.58 3.38 -0.77 -3.38 115.31 117.59 1r3s h LEU 70 Ca 0.17 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1r3s h LEU 70 Cb 0.50 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1r3s h LEU 70 CO 0.02 0.74 -0.18 1.56 0.09 0.00 0.00 178.44 180.67 1r3s h GLN 71 N 0.00 -0.10 -0.26 1.13 4.20 -1.30 -0.64 115.11 118.13 1r3s h GLN 71 Ca -0.01 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r3s h GLN 71 Cb 1.37 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1r3s h GLN 71 CO 0.10 -0.07 0.15 -1.00 -0.67 0.00 0.00 178.83 177.34 1r3s h PRO 72 N -0.11 0.35 0.00 1.46 0.13 -1.76 -2.29 132.00 129.79 1r3s h PRO 72 Ca 0.19 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1r3s h PRO 72 Cb 0.40 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1r3s h PRO 72 CO -0.46 0.26 -0.30 -0.07 -0.23 0.00 0.00 178.00 177.20 1r3s h LEU 73 N 0.36 0.00 -1.33 1.56 3.38 -1.31 -0.06 115.31 117.91 1r3s h LEU 73 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1r3s h LEU 73 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1r3s h LEU 73 CO -0.02 0.30 -0.22 0.03 0.09 0.00 0.00 178.44 178.62 1r3s h ARG 74 N 0.00 0.00 0.10 1.13 3.08 -1.01 -3.25 114.38 114.44 1r3s h ARG 74 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1r3s h ARG 74 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1r3s h ARG 74 CO 0.04 0.22 -1.97 0.54 -1.07 0.00 0.00 179.97 177.73 1r3s n ARG 75 N -3.49 0.74 -4.10 0.04 1.74 -0.76 -5.00 116.66 105.82 1r3s n ARG 75 Ca -0.01 0.26 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 1r3s n ARG 75 Cb 0.38 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 1r3s n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1r3s s PHE 76 N -2.56 0.63 -1.39 -1.55 0.40 -0.11 -5.02 117.98 108.38 1r3s s PHE 76 Ca -0.20 -0.36 -0.09 0.00 -0.60 0.00 0.00 56.93 55.68 1r3s s PHE 76 Cb 0.07 -0.38 -0.11 0.00 0.51 0.00 0.00 43.02 43.11 1r3s s PHE 76 CO 0.77 -0.05 3.04 -0.35 0.70 0.00 0.00 175.22 179.33 1r3s n PRO 77 N 1.97 3.49 -2.03 0.24 -0.04 -1.26 -4.30 135.00 133.07 1r3s n PRO 77 Ca -0.19 -2.07 -0.37 0.00 -0.04 0.00 0.00 63.50 60.83 1r3s n PRO 77 Cb 0.56 -2.68 0.02 0.00 -0.04 0.00 0.00 33.50 31.36 1r3s n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r3s s LEU 78 N 0.07 3.80 0.00 1.53 1.43 -1.26 -4.93 118.68 119.31 1r3s s LEU 78 Ca 0.69 2.45 0.27 0.00 -1.03 0.00 0.00 54.13 56.50 1r3s s LEU 78 Cb 0.20 -4.44 0.87 0.00 0.03 0.00 0.00 46.19 42.85 1r3s s LEU 78 CO -0.05 -1.41 1.64 0.47 0.23 0.00 0.00 176.35 177.23 1r3s n ASP 79 N -1.18 1.80 -3.63 2.29 8.00 -0.06 -4.87 116.55 118.90 1r3s n ASP 79 Ca 0.11 -1.61 -0.14 0.00 0.71 0.00 0.00 54.79 53.86 1r3s n ASP 79 Cb 0.48 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 1r3s n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r3s s ALA 80 N -1.97 -1.19 0.09 2.24 0.00 -1.26 -4.23 121.76 115.44 1r3s s ALA 80 Ca 0.36 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.94 1r3s s ALA 80 Cb 0.21 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1r3s s ALA 80 CO 0.32 -0.42 0.04 0.00 0.00 0.00 0.00 175.76 175.71 1r3s s ALA 81 N -2.01 3.42 -0.07 0.00 0.00 -0.25 -4.90 121.76 117.96 1r3s s ALA 81 Ca -0.08 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.85 1r3s s ALA 81 Cb -0.01 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 1r3s s ALA 81 CO 0.01 0.71 -0.22 -1.50 0.00 0.00 0.00 175.76 174.77 1r3s s ILE 82 N -1.37 1.83 0.32 0.00 2.07 -1.26 -0.44 121.20 122.35 1r3s s ILE 82 Ca 0.28 -0.92 -0.29 0.00 -1.41 0.00 0.00 60.65 58.30 1r3s s ILE 82 Cb -0.12 -1.57 -0.11 0.00 0.13 0.00 0.00 42.46 40.79 1r3s s ILE 82 CO 0.20 0.51 1.53 -0.51 -1.91 0.00 0.00 174.94 174.76 1r3s s ILE 83 N 0.10 2.14 -0.15 2.00 1.10 -0.60 -4.78 121.20 121.01 1r3s s ILE 83 Ca -0.09 0.13 -0.29 0.00 -0.51 0.00 0.00 60.65 59.89 1r3s s ILE 83 Cb -0.15 -3.08 -0.02 0.00 0.15 0.00 0.00 42.46 39.36 1r3s s ILE 83 CO 0.05 0.02 1.33 0.12 -2.11 0.00 0.00 174.94 174.35 1r3s s PHE 84 N -0.43 2.69 0.00 3.50 5.36 -1.26 -4.93 117.98 122.91 1r3s s PHE 84 Ca 0.59 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1r3s s PHE 84 Cb -0.46 -3.58 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1r3s s PHE 84 CO 0.53 -2.08 0.00 0.45 -1.46 0.00 0.00 175.22 172.66 1r3s n SER 85 N 6.71 0.00 -4.10 6.13 2.88 -1.26 -4.84 113.62 119.13 1r3s n SER 85 Ca 0.14 -0.27 -0.14 0.00 -1.33 0.00 0.00 58.87 57.28 1r3s n SER 85 Cb 0.44 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 1r3s n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1r3s s GLY 86 N -0.60 0.63 0.43 0.46 0.00 -1.26 -5.02 107.32 101.97 1r3s s GLY 86 Ca 0.00 -0.91 0.23 0.00 0.00 0.00 0.00 44.72 44.04 1r3s s GLY 86 CO 0.00 -0.96 1.83 0.16 0.00 0.00 0.00 173.10 174.13 1r3s h ILE 87 N 4.23 0.64 0.00 0.90 3.07 -1.95 -3.23 117.51 121.16 1r3s h ILE 87 Ca -0.37 -1.15 0.00 0.00 1.55 0.00 0.00 64.86 64.90 1r3s h ILE 87 Cb 1.20 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 1r3s h ILE 87 CO 0.44 0.24 0.00 0.18 -1.05 0.00 0.00 178.15 177.96 1r3s n LEU 88 N -3.46 0.00 0.27 0.16 4.77 -1.26 -3.12 117.00 114.36 1r3s n LEU 88 Ca -0.00 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1r3s n LEU 88 Cb 0.42 -0.07 0.77 0.00 -2.33 0.00 0.00 43.42 42.22 1r3s n LEU 88 CO 0.34 -0.01 1.03 -0.37 -1.33 0.00 0.00 177.39 177.05 1r3s h VAL 89 N 0.00 0.65 0.25 4.08 -1.51 -1.99 -2.29 116.25 115.44 1r3s h VAL 89 Ca 0.00 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 1r3s h VAL 89 Cb 0.06 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1r3s h VAL 89 CO 0.00 0.07 -0.12 0.58 -1.23 0.00 0.00 177.57 176.87 1r3s h VAL 90 N 0.00 0.56 -0.94 7.19 2.07 -1.82 -0.61 116.25 122.70 1r3s h VAL 90 Ca -0.00 -0.92 0.17 0.00 0.82 0.00 0.00 66.70 66.77 1r3s h VAL 90 Cb 0.18 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1r3s h VAL 90 CO 0.01 0.14 0.60 -0.65 0.02 0.00 0.00 177.57 177.69 1r3s h PRO 91 N -0.94 0.63 -0.07 1.57 0.11 -1.78 -0.81 132.00 130.71 1r3s h PRO 91 Ca -0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1r3s h PRO 91 Cb 0.49 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1r3s h PRO 91 CO 0.06 0.42 0.05 1.96 -0.21 0.00 0.00 178.00 180.27 1r3s h GLN 92 N 0.65 0.10 0.00 1.05 4.20 -1.37 -2.18 115.11 117.56 1r3s h GLN 92 Ca 0.49 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.18 1r3s h GLN 92 Cb 0.88 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1r3s h GLN 92 CO -0.25 0.10 -0.06 0.00 -0.67 0.00 0.00 178.83 177.94 1r3s h ALA 93 N 1.00 1.28 0.00 3.87 0.00 -0.29 -0.56 119.26 124.56 1r3s h ALA 93 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r3s h ALA 93 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1r3s h ALA 93 CO -0.01 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1r3s n LEU 94 N -3.57 0.00 0.00 0.00 4.77 -0.38 -4.78 117.00 113.04 1r3s n LEU 94 Ca -0.02 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1r3s n LEU 94 Cb 0.18 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1r3s n LEU 94 CO 0.28 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1r3s n GLY 95 N 1.19 1.23 3.83 -0.72 0.00 -0.22 0.03 105.19 110.53 1r3s n GLY 95 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1r3s n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r3s s MET 96 N -0.54 4.07 -0.13 1.61 -1.94 -0.86 -4.96 119.30 116.55 1r3s s MET 96 Ca 0.00 0.60 -0.22 0.00 -1.71 0.00 0.00 55.69 54.36 1r3s s MET 96 Cb 0.00 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.77 1r3s s MET 96 CO 0.00 0.53 0.67 -1.21 -0.01 0.00 0.00 175.02 175.00 1r3s s GLU 97 N -1.65 4.33 0.07 2.03 0.41 -1.26 -4.14 118.70 118.48 1r3s s GLU 97 Ca 0.35 0.76 0.08 0.00 -0.41 0.00 0.00 54.97 55.74 1r3s s GLU 97 Cb -0.17 -3.51 -0.03 0.00 -1.78 0.00 0.00 34.13 28.65 1r3s s GLU 97 CO 0.19 -0.08 -0.21 0.08 -0.49 0.00 0.00 175.26 174.75 1r3s s VAL 98 N 1.35 1.70 0.12 2.63 1.01 -1.26 -4.20 120.40 121.75 1r3s s VAL 98 Ca 0.33 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1r3s s VAL 98 Cb -0.17 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1r3s s VAL 98 CO 0.14 0.11 -0.15 0.42 0.00 0.00 0.00 175.10 175.62 1r3s s THR 99 N -0.94 1.37 -0.42 3.92 -4.23 -0.10 -4.98 115.64 110.27 1r3s s THR 99 Ca 0.07 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1r3s s THR 99 Cb -0.09 -1.53 0.06 0.00 1.34 0.00 0.00 72.50 72.27 1r3s s THR 99 CO 0.03 -0.38 0.28 -0.32 -0.54 0.00 0.00 174.62 173.68 1r3s s MET 100 N -2.60 2.78 0.14 3.99 1.75 -1.26 -0.72 119.30 123.38 1r3s s MET 100 Ca 0.09 -1.28 -0.30 0.00 -1.25 0.00 0.00 55.69 52.94 1r3s s MET 100 Cb -0.05 -3.86 -0.07 0.00 2.84 0.00 0.00 34.83 33.69 1r3s s MET 100 CO 0.03 -0.88 1.08 0.08 -0.65 0.00 0.00 175.02 174.69 1r3s s VAL 101 N 1.53 4.07 -0.85 10.11 1.01 -0.56 -4.90 120.40 130.81 1r3s s VAL 101 Ca 0.03 1.71 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 1r3s s VAL 101 Cb -0.22 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 31.86 1r3s s VAL 101 CO 0.05 0.26 2.18 -2.65 0.00 0.00 0.00 175.10 174.94 1r3s n PRO 102 N 2.74 0.00 -1.59 2.72 -0.02 -1.26 -1.19 135.00 136.41 1r3s n PRO 102 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.34 1r3s n PRO 102 Cb 0.47 -1.17 -0.07 0.00 -0.02 0.00 0.00 33.50 32.71 1r3s n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r3s n GLY 103 N 5.32 1.46 0.00 -1.23 0.00 -1.26 -4.81 105.19 104.67 1r3s n GLY 103 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1r3s n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3s n LYS 104 N -2.22 -0.13 -0.01 1.61 4.01 -0.33 -5.14 118.16 115.94 1r3s n LYS 104 Ca -0.18 -0.56 0.00 0.00 -0.51 0.00 0.00 58.31 57.07 1r3s n LYS 104 Cb 0.58 -0.87 -0.00 0.00 -0.51 0.00 0.00 35.03 34.23 1r3s n LYS 104 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1r3s n GLY 105 N -0.08 -2.09 3.77 0.72 0.00 -1.12 -4.80 105.19 101.59 1r3s n GLY 105 Ca 0.00 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1r3s n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r3s s PRO 106 N -0.17 4.29 0.01 1.61 0.04 -1.26 -1.49 135.00 138.03 1r3s s PRO 106 Ca 0.00 2.15 -0.00 0.00 0.04 0.00 0.00 61.00 63.19 1r3s s PRO 106 Cb 0.00 -3.00 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1r3s s PRO 106 CO 0.00 -0.22 -0.00 0.45 0.04 0.00 0.00 177.00 177.27 1r3s s SER 107 N -0.60 0.10 -0.35 6.66 0.15 0.11 -4.50 113.70 115.27 1r3s s SER 107 Ca 0.50 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.88 1r3s s SER 107 Cb -0.38 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.05 1r3s s SER 107 CO 0.51 -0.15 0.11 -0.36 1.20 0.00 0.00 173.24 174.55 1r3s s PHE 108 N -0.70 3.33 0.26 3.44 0.40 -0.34 -0.92 117.98 123.45 1r3s s PHE 108 Ca -0.08 -1.75 0.36 0.00 -0.60 0.00 0.00 56.93 54.86 1r3s s PHE 108 Cb -0.05 -2.50 1.76 0.00 0.51 0.00 0.00 43.02 42.74 1r3s s PHE 108 CO -0.00 -0.81 2.10 -1.00 0.70 0.00 0.00 175.22 176.20 1r3s h PRO 109 N 8.15 0.00 -2.50 0.24 0.13 -1.85 -3.27 132.00 132.90 1r3s h PRO 109 Ca -0.21 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.32 1r3s h PRO 109 Cb 1.07 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.79 1r3s h PRO 109 CO 0.62 0.00 -0.66 0.39 -0.23 0.00 0.00 178.00 178.12 1r3s n GLU 110 N -2.95 1.94 -0.98 0.86 4.71 -1.26 -5.11 120.64 117.85 1r3s n GLU 110 Ca -0.01 -4.36 -0.30 0.00 -0.01 0.00 0.00 57.16 52.48 1r3s n GLU 110 Cb 0.18 -2.12 0.15 0.00 -1.01 0.00 0.00 31.44 28.64 1r3s n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1r3s s PRO 111 N -1.82 1.06 -0.10 3.49 0.04 -1.24 -4.93 135.00 131.51 1r3s s PRO 111 Ca 0.34 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1r3s s PRO 111 Cb 0.08 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 1r3s s PRO 111 CO -0.09 -2.45 1.21 -0.51 0.04 0.00 0.00 177.00 175.19 1r3s s LEU 112 N -6.42 4.24 0.00 -3.56 1.43 -0.06 -4.88 118.68 109.44 1r3s s LEU 112 Ca 0.65 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1r3s s LEU 112 Cb -0.20 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1r3s s LEU 112 CO 0.58 -0.64 0.00 0.54 0.23 0.00 0.00 176.35 177.06 1r3s n ARG 113 N 5.67 2.38 -4.40 1.70 5.12 -1.26 -4.36 116.66 121.52 1r3s n ARG 113 Ca 0.12 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.84 1r3s n ARG 113 Cb 0.46 -0.80 -0.10 0.00 -1.16 0.00 0.00 32.46 30.85 1r3s n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1r3s s GLU 114 N -1.34 1.51 0.37 5.56 -1.05 -1.26 -5.04 118.70 117.45 1r3s s GLU 114 Ca 0.00 -1.80 0.07 0.00 -0.15 0.00 0.00 54.97 53.09 1r3s s GLU 114 Cb 0.00 -0.79 0.78 0.00 -0.44 0.00 0.00 34.13 33.68 1r3s s GLU 114 CO 0.00 -0.13 1.97 1.49 0.95 0.00 0.00 175.26 179.54 1r3s h GLU 115 N 2.28 0.69 0.00 -4.83 4.81 -1.99 -0.96 114.58 114.59 1r3s h GLU 115 Ca -0.40 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1r3s h GLU 115 Cb 1.24 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1r3s h GLU 115 CO 0.67 0.46 -0.09 0.37 -0.73 0.00 0.00 179.01 179.69 1r3s h GLN 116 N 0.71 0.00 0.00 1.92 4.15 -2.03 -2.01 115.11 117.85 1r3s h GLN 116 Ca 0.30 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 1r3s h GLN 116 Cb 0.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1r3s h GLN 116 CO -0.10 0.09 -0.07 -0.44 -1.93 0.00 0.00 178.83 176.38 1r3s h ASP 117 N 0.00 0.00 -0.08 -0.69 3.32 -1.58 -1.96 116.42 115.43 1r3s h ASP 117 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1r3s h ASP 117 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1r3s h ASP 117 CO 0.01 0.07 0.07 -0.07 -1.72 0.00 0.00 179.24 177.61 1r3s h LEU 118 N 0.00 0.00 -2.68 1.55 3.38 -1.51 -2.33 115.31 113.72 1r3s h LEU 118 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r3s h LEU 118 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1r3s h LEU 118 CO 0.01 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.21 1r3s h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -1.56 -2.23 114.58 117.01 1r3s h GLU 119 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1r3s h GLU 119 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1r3s h GLU 119 CO -0.00 0.00 -0.05 0.07 -1.00 0.00 0.00 179.01 178.03 1r3s h ARG 120 N 0.00 0.00 -7.01 2.33 0.11 -1.62 -3.46 114.38 104.73 1r3s h ARG 120 Ca -0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 1r3s h ARG 120 Cb 0.01 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.10 1r3s h ARG 120 CO 0.00 0.05 0.39 -0.51 0.10 0.00 0.00 179.97 180.00 1r3s s LEU 121 N -6.29 4.03 0.79 0.08 1.43 -0.84 -4.84 118.68 113.05 1r3s s LEU 121 Ca 0.03 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 1r3s s LEU 121 Cb 0.08 -4.34 0.07 0.00 0.03 0.00 0.00 46.19 42.03 1r3s s LEU 121 CO 0.60 -0.55 1.17 -0.13 0.23 0.00 0.00 176.35 177.67 1r3s s ARG 122 N -2.80 1.82 0.19 1.70 0.52 0.10 -4.96 118.95 115.53 1r3s s ARG 122 Ca 0.61 1.59 -0.32 0.00 -0.52 0.00 0.00 55.73 57.09 1r3s s ARG 122 Cb -0.18 -1.81 -0.11 0.00 0.52 0.00 0.00 34.95 33.36 1r3s s ARG 122 CO 0.23 -2.04 1.71 0.34 0.02 0.00 0.00 175.30 175.56 1r3s s ASP 123 N -2.45 6.41 0.59 0.23 -1.08 -1.26 -4.88 116.67 114.23 1r3s s ASP 123 Ca 0.70 2.82 0.29 0.00 -0.52 0.00 0.00 52.55 55.84 1r3s s ASP 123 Cb -0.25 -2.60 1.81 0.00 -1.46 0.00 0.00 42.92 40.42 1r3s s ASP 123 CO 0.51 -0.95 2.25 1.55 0.52 0.00 0.00 175.17 179.04 1r3s h PRO 124 N 6.98 0.00 0.00 4.34 0.13 -1.90 -1.76 132.00 139.79 1r3s h PRO 124 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r3s h PRO 124 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1r3s h PRO 124 CO 0.95 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.11 1r3s n GLU 125 N -3.85 0.17 0.00 0.86 1.02 -1.26 -2.34 120.64 115.24 1r3s n GLU 125 Ca -0.03 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 1r3s n GLU 125 Cb 0.10 -1.89 0.04 0.00 -0.02 0.00 0.00 31.44 29.67 1r3s n GLU 125 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1r3s n VAL 126 N -2.22 0.00 -0.31 2.62 0.24 -0.66 -4.54 118.33 113.46 1r3s n VAL 126 Ca 0.01 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.34 62.27 1r3s n VAL 126 Cb 0.17 0.72 0.11 0.00 -1.47 0.00 0.00 33.84 33.37 1r3s n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1r3s h VAL 127 N 0.21 1.12 -0.97 3.34 2.07 -1.58 -2.70 116.25 117.74 1r3s h VAL 127 Ca 0.00 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.21 1r3s h VAL 127 Cb 0.52 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1r3s h VAL 127 CO 0.00 0.19 0.64 0.00 0.02 0.00 0.00 177.57 178.42 1r3s h ALA 128 N 1.36 1.39 -0.42 1.67 0.00 -1.80 -0.54 119.26 120.93 1r3s h ALA 128 Ca 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1r3s h ALA 128 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1r3s h ALA 128 CO -0.12 0.49 0.09 0.66 0.00 0.00 0.00 179.25 180.36 1r3s h SER 129 N 1.19 0.59 0.96 0.00 4.64 -1.79 -1.01 113.55 118.13 1r3s h SER 129 Ca 0.40 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1r3s h SER 129 Cb 0.07 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1r3s h SER 129 CO -0.14 0.60 0.00 -0.33 -0.87 0.00 0.00 176.83 176.09 1r3s h GLU 130 N 0.62 0.00 -0.41 4.77 4.39 -0.97 -3.02 114.58 119.96 1r3s h GLU 130 Ca 0.14 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1r3s h GLU 130 Cb 0.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1r3s h GLU 130 CO -0.00 0.00 0.04 1.28 -1.16 0.00 0.00 179.01 179.17 1r3s n LEU 131 N -2.67 4.62 -0.26 1.33 4.77 -0.40 -4.64 117.00 119.76 1r3s n LEU 131 Ca 0.02 -3.12 0.19 0.00 -0.03 0.00 0.00 56.01 53.07 1r3s n LEU 131 Cb 0.29 -0.61 0.50 0.00 -2.33 0.00 0.00 43.42 41.27 1r3s n LEU 131 CO 0.24 0.75 1.22 1.23 -1.33 0.00 0.00 177.39 179.51 1r3s h GLY 132 N 2.25 0.94 1.54 -0.72 0.00 -1.38 -0.86 103.07 104.84 1r3s h GLY 132 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1r3s h GLY 132 CO 0.38 -0.02 0.24 0.10 0.00 0.00 0.00 176.54 177.23 1r3s h TYR 133 N 0.42 0.33 -0.27 5.60 -0.00 -1.88 0.42 116.97 121.60 1r3s h TYR 133 Ca 0.49 0.01 -0.09 0.00 0.00 0.00 0.00 58.73 59.14 1r3s h TYR 133 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 37.82 1r3s h TYR 133 CO -0.00 0.19 -0.19 0.28 -0.00 0.00 0.00 178.16 178.45 1r3s h VAL 134 N 0.34 1.30 -0.76 -0.90 2.07 -1.44 -1.95 116.25 114.93 1r3s h VAL 134 Ca 0.15 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1r3s h VAL 134 Cb 0.15 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1r3s h VAL 134 CO -0.03 0.41 0.46 -0.26 0.02 0.00 0.00 177.57 178.17 1r3s h PHE 135 N 0.32 0.99 -0.76 1.57 0.05 -1.24 -0.95 116.94 116.92 1r3s h PHE 135 Ca 0.05 0.00 0.02 0.00 3.82 0.00 0.00 57.97 61.86 1r3s h PHE 135 Cb 0.72 -0.33 -0.04 0.00 2.00 0.00 0.00 35.95 38.30 1r3s h PHE 135 CO 0.07 0.66 0.49 1.96 -0.18 0.00 0.00 178.31 181.31 1r3s h GLN 136 N 1.03 0.95 -0.79 1.51 4.20 -0.86 -0.81 115.11 120.34 1r3s h GLN 136 Ca 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1r3s h GLN 136 Cb -0.05 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.48 1r3s h GLN 136 CO -0.05 0.63 0.42 0.00 -0.67 0.00 0.00 178.83 179.16 1r3s h ALA 137 N 1.31 1.02 -0.18 3.87 0.00 -0.82 -1.83 119.26 122.62 1r3s h ALA 137 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1r3s h ALA 137 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1r3s h ALA 137 CO -0.09 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.51 1r3s h ILE 138 N 1.11 1.26 -0.45 0.00 2.04 -0.66 -0.51 117.51 120.29 1r3s h ILE 138 Ca 0.28 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1r3s h ILE 138 Cb 0.06 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1r3s h ILE 138 CO -0.04 0.27 0.20 0.74 0.00 0.00 0.00 178.15 179.32 1r3s h THR 139 N 0.07 1.19 -0.49 -0.27 2.02 -1.06 -0.22 112.91 114.15 1r3s h THR 139 Ca 0.05 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1r3s h THR 139 Cb 0.40 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1r3s h THR 139 CO 0.01 0.21 0.33 0.25 0.37 0.00 0.00 175.52 176.69 1r3s h LEU 140 N 0.59 0.56 -0.52 2.58 5.85 -1.25 -1.42 115.31 121.69 1r3s h LEU 140 Ca 0.15 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1r3s h LEU 140 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1r3s h LEU 140 CO -0.02 0.41 -0.17 0.74 -0.34 0.00 0.00 178.44 179.06 1r3s h THR 141 N 0.67 1.27 -0.66 1.05 2.02 -0.83 -0.53 112.91 115.90 1r3s h THR 141 Ca 0.18 -1.34 0.01 0.00 0.77 0.00 0.00 66.41 66.03 1r3s h THR 141 Cb -0.08 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1r3s h THR 141 CO -0.04 0.47 0.44 -0.09 0.37 0.00 0.00 175.52 176.66 1r3s h ARG 142 N 0.88 0.86 0.00 6.66 9.65 -0.86 0.45 114.38 132.04 1r3s h ARG 142 Ca 0.12 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1r3s h ARG 142 Cb 0.75 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1r3s h ARG 142 CO 0.06 0.57 -0.00 1.96 2.80 0.00 0.00 179.97 185.36 1r3s h GLN 143 N 0.89 -0.01 -0.34 0.20 4.20 -0.94 -3.02 115.11 116.10 1r3s h GLN 143 Ca 0.24 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 1r3s h GLN 143 Cb -0.10 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1r3s h GLN 143 CO -0.05 0.18 -0.20 0.00 -0.67 0.00 0.00 178.83 178.09 1r3s h ARG 144 N -0.19 0.64 -0.11 1.46 2.47 -0.83 -2.11 114.38 115.71 1r3s h ARG 144 Ca -0.00 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1r3s h ARG 144 Cb 0.19 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1r3s h ARG 144 CO 0.00 0.80 0.02 -0.07 0.56 0.00 0.00 179.97 181.28 1r3s h LEU 145 N 0.57 0.13 1.07 3.04 3.38 -0.94 -3.46 115.31 119.09 1r3s h LEU 145 Ca 0.09 -0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 1r3s h LEU 145 Cb 0.65 -0.03 0.05 0.00 0.09 0.00 0.00 40.66 41.42 1r3s h LEU 145 CO 0.05 0.14 -0.60 0.00 0.09 0.00 0.00 178.44 178.11 1r3s n ALA 146 N -2.52 -0.97 -0.91 1.53 0.00 -0.80 -1.73 120.51 115.13 1r3s n ALA 146 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1r3s n ALA 146 Cb 0.12 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 15.80 1r3s n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3s n GLY 147 N -1.49 0.54 0.32 0.00 0.00 -1.26 -4.80 105.19 98.50 1r3s n GLY 147 Ca -0.11 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1r3s n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1r3s h ARG 148 N 1.19 -0.58 -4.06 1.61 2.43 -1.64 0.18 114.38 113.51 1r3s h ARG 148 Ca 0.00 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1r3s h ARG 148 Cb 0.00 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 29.55 1r3s h ARG 148 CO 0.00 -0.39 -0.43 0.14 -1.51 0.00 0.00 179.97 177.79 1r3s s VAL 149 N -6.05 0.08 0.62 0.20 -7.23 -1.26 -2.63 120.40 104.12 1r3s s VAL 149 Ca -0.16 -1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 58.29 1r3s s VAL 149 Cb 0.06 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 1r3s s VAL 149 CO 0.64 -0.35 1.12 -2.84 -0.31 0.00 0.00 175.10 173.36 1r3s s PRO 150 N -3.99 2.97 -0.21 4.82 0.02 -1.26 -4.75 135.00 132.61 1r3s s PRO 150 Ca 0.19 1.48 -0.05 0.00 0.02 0.00 0.00 61.00 62.64 1r3s s PRO 150 Cb 0.05 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 1r3s s PRO 150 CO 0.01 -1.13 0.01 -1.17 -0.33 0.00 0.00 177.00 174.38 1r3s s LEU 151 N -4.50 3.27 -0.16 -5.54 2.96 -1.26 -1.09 118.68 112.35 1r3s s LEU 151 Ca 0.69 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 54.25 1r3s s LEU 151 Cb -0.22 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1r3s s LEU 151 CO 0.37 0.05 0.33 -0.63 -1.32 0.00 0.00 176.35 175.14 1r3s s ILE 152 N 1.09 5.28 0.36 6.68 1.01 0.42 -0.38 121.20 135.65 1r3s s ILE 152 Ca 0.02 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1r3s s ILE 152 Cb -0.14 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1r3s s ILE 152 CO 0.02 0.36 0.52 -0.83 0.00 0.00 0.00 174.94 175.00 1r3s s GLY 153 N 0.59 1.57 0.21 6.18 0.00 0.05 -1.56 107.32 114.35 1r3s s GLY 153 Ca 0.18 -1.35 -0.22 0.00 0.00 0.00 0.00 44.72 43.33 1r3s s GLY 153 CO 0.05 -1.25 0.63 -0.11 0.00 0.00 0.00 173.10 172.43 1r3s s PHE 154 N -2.26 -0.37 0.16 1.90 -0.12 -1.26 -1.00 117.98 115.03 1r3s s PHE 154 Ca 0.45 0.06 -0.21 0.00 -0.05 0.00 0.00 56.93 57.19 1r3s s PHE 154 Cb -0.10 0.59 0.06 0.00 -0.63 0.00 0.00 43.02 42.94 1r3s s PHE 154 CO 0.33 -0.99 0.56 0.00 -0.05 0.00 0.00 175.22 175.06 1r3s s ALA 155 N -3.82 -1.37 0.47 1.99 0.00 -0.96 -4.96 121.76 113.10 1r3s s ALA 155 Ca 0.05 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 1r3s s ALA 155 Cb -0.03 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.85 1r3s s ALA 155 CO -0.05 -0.76 1.04 0.20 0.00 0.00 0.00 175.76 176.19 1r3s s GLY 156 N -2.78 2.56 0.61 0.00 0.00 -1.26 -1.11 107.32 105.34 1r3s s GLY 156 Ca 0.03 0.63 -0.14 0.00 0.00 0.00 0.00 44.72 45.24 1r3s s GLY 156 CO -0.11 0.97 1.04 0.00 0.00 0.00 0.00 173.10 175.01 1r3s s ALA 157 N -1.90 2.85 0.17 3.20 0.00 -0.05 -4.76 121.76 121.26 1r3s s ALA 157 Ca 0.65 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 1r3s s ALA 157 Cb -0.18 -3.17 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1r3s s ALA 157 CO 0.22 -0.78 1.65 -1.35 0.00 0.00 0.00 175.76 175.49 1r3s h PRO 158 N 0.09 -0.07 -0.34 0.00 0.11 -1.91 -0.38 132.00 129.50 1r3s h PRO 158 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r3s h PRO 158 Cb 1.20 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1r3s h PRO 158 CO 0.59 -0.05 0.22 2.35 -0.21 0.00 0.00 178.00 180.91 1r3s h TRP 159 N -0.07 0.43 -0.59 0.65 2.91 -1.89 0.39 115.95 117.78 1r3s h TRP 159 Ca 0.19 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.19 1r3s h TRP 159 Cb 0.36 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.84 1r3s h TRP 159 CO -0.39 0.27 0.24 1.15 -1.03 0.00 0.00 178.44 178.67 1r3s h THR 160 N 0.46 1.23 -0.89 2.65 2.02 -1.73 -0.50 112.91 116.14 1r3s h THR 160 Ca 0.12 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1r3s h THR 160 Cb -0.05 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1r3s h THR 160 CO -0.03 0.28 0.59 -0.07 0.37 0.00 0.00 175.52 176.66 1r3s h LEU 161 N 0.82 1.02 -0.71 2.58 3.38 -0.78 -2.36 115.31 119.27 1r3s h LEU 161 Ca 0.20 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1r3s h LEU 161 Cb 0.20 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1r3s h LEU 161 CO -0.02 0.73 0.38 -0.03 0.09 0.00 0.00 178.44 179.60 1r3s h MET 162 N 1.20 0.65 -0.55 1.13 4.05 -0.02 -1.79 114.93 119.60 1r3s h MET 162 Ca 0.33 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.75 1r3s h MET 162 Cb -0.13 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.48 1r3s h MET 162 CO -0.07 0.43 0.30 1.79 0.23 0.00 0.00 176.91 179.59 1r3s h THR 163 N 0.67 1.00 -0.73 -0.77 1.35 -0.59 -0.32 112.91 113.51 1r3s h THR 163 Ca 0.33 -0.20 -0.05 0.00 -0.55 0.00 0.00 66.41 65.94 1r3s h THR 163 Cb 0.28 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 1r3s h THR 163 CO -0.23 0.11 0.24 1.88 -0.25 0.00 0.00 175.52 177.27 1r3s h TYR 164 N 0.59 1.16 -0.17 4.73 -1.99 -1.24 0.60 116.97 120.65 1r3s h TYR 164 Ca 0.23 -0.11 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 1r3s h TYR 164 Cb 0.10 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.48 1r3s h TYR 164 CO -0.08 0.91 -0.39 0.52 -0.00 0.00 0.00 178.16 179.12 1r3s h MET 165 N 1.08 0.38 0.05 4.88 2.86 -0.58 0.35 114.93 123.95 1r3s h MET 165 Ca 0.24 -0.18 -0.26 0.00 -2.06 0.00 0.00 59.70 57.44 1r3s h MET 165 Cb 0.28 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1r3s h MET 165 CO -0.01 0.71 -1.42 0.28 1.06 0.00 0.00 176.91 177.53 1r3s h VAL 166 N 0.32 0.89 -0.08 -2.22 2.07 -1.04 -0.11 116.25 116.08 1r3s h VAL 166 Ca 0.03 -2.26 -0.14 0.00 0.82 0.00 0.00 66.70 65.15 1r3s h VAL 166 Cb 0.83 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1r3s h VAL 166 CO 0.07 0.52 -0.58 -0.33 0.02 0.00 0.00 177.57 177.27 1r3s h GLU 167 N -0.63 0.26 0.00 1.57 4.39 -0.95 -3.40 114.58 115.82 1r3s h GLU 167 Ca -0.35 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1r3s h GLU 167 Cb 1.54 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.21 1r3s h GLU 167 CO -0.09 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 178.93 1r3s n GLY 168 N 0.21 0.65 0.00 -3.84 0.00 0.11 -4.92 105.19 97.40 1r3s n GLY 168 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1r3s n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r3s n GLY 169 N -2.63 -0.68 3.77 -0.02 0.00 -1.19 -1.20 105.19 103.23 1r3s n GLY 169 Ca 0.00 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 1r3s n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r3s s GLY 170 N 0.00 1.93 -0.09 -0.02 0.00 -1.26 -4.52 107.32 103.35 1r3s s GLY 170 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 44.72 44.96 1r3s s GLY 170 CO 0.00 0.78 0.46 -0.45 0.00 0.00 0.00 173.10 173.89 1r3s s SER 171 N -2.94 -0.41 0.22 1.64 0.15 -1.26 -5.03 113.70 106.06 1r3s s SER 171 Ca 0.64 0.57 0.26 0.00 0.70 0.00 0.00 55.95 58.12 1r3s s SER 171 Cb -0.19 0.62 0.80 0.00 -1.71 0.00 0.00 66.02 65.54 1r3s s SER 171 CO 0.49 -0.37 1.77 -1.54 1.20 0.00 0.00 173.24 174.78 1r3s n SER 172 N 1.80 0.84 0.00 5.45 3.41 -1.26 -4.33 113.62 119.54 1r3s n SER 172 Ca -0.18 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1r3s n SER 172 Cb 0.56 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1r3s n SER 172 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1r3s n THR 173 N -2.29 0.00 -3.59 6.66 -2.24 -1.26 -5.02 114.28 106.53 1r3s n THR 173 Ca 0.05 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.57 1r3s n THR 173 Cb 0.43 0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.94 1r3s n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1r3s n MET 174 N -1.03 -4.81 0.01 -0.78 0.00 -1.26 -4.87 117.12 104.38 1r3s n MET 174 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 57.70 58.30 1r3s n MET 174 Cb 0.02 -5.45 0.26 0.00 0.00 0.00 0.00 33.22 28.05 1r3s n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1r3s h ALA 175 N 0.98 1.26 -0.01 3.04 0.00 -1.96 0.00 119.26 122.57 1r3s h ALA 175 Ca -0.53 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 53.88 1r3s h ALA 175 Cb 1.35 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 19.02 1r3s h ALA 175 CO 0.61 0.49 -0.95 1.96 0.00 0.00 0.00 179.25 181.36 1r3s h GLN 176 N 0.46 0.65 -0.31 0.00 4.20 -1.95 -0.87 115.11 117.30 1r3s h GLN 176 Ca 0.09 -0.69 -0.16 0.00 0.06 0.00 0.00 58.65 57.94 1r3s h GLN 176 Cb 0.47 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1r3s h GLN 176 CO 0.03 1.28 -0.46 0.00 -0.67 0.00 0.00 178.83 179.01 1r3s h ALA 177 N 0.39 0.61 -0.13 3.87 0.00 -1.86 -2.32 119.26 119.82 1r3s h ALA 177 Ca -0.12 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1r3s h ALA 177 Cb 1.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1r3s h ALA 177 CO 0.19 0.68 -0.48 0.87 0.00 0.00 0.00 179.25 180.50 1r3s h LYS 178 N 0.64 0.32 -0.88 0.00 1.57 -1.04 -2.43 116.57 114.75 1r3s h LYS 178 Ca 0.04 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1r3s h LYS 178 Cb 1.04 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1r3s h LYS 178 CO 0.10 0.74 0.55 -0.09 -0.57 0.00 0.00 179.45 180.18 1r3s h ARG 179 N 0.26 1.18 -0.45 3.15 2.43 -1.02 -1.65 114.38 118.28 1r3s h ARG 179 Ca 0.01 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1r3s h ARG 179 Cb 0.95 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 30.18 1r3s h ARG 179 CO 0.08 0.81 0.07 -1.49 -1.51 0.00 0.00 179.97 177.94 1r3s h TRP 180 N 1.21 0.11 -0.96 2.20 4.06 -1.01 0.28 115.95 121.84 1r3s h TRP 180 Ca 0.32 0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.31 1r3s h TRP 180 Cb -0.08 0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.05 1r3s h TRP 180 CO -0.00 -0.02 0.64 -0.07 -3.56 0.00 0.00 178.44 175.42 1r3s h LEU 181 N 0.20 1.09 0.15 -4.49 3.38 -0.87 0.32 115.31 115.08 1r3s h LEU 181 Ca 0.23 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.86 1r3s h LEU 181 Cb 0.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1r3s h LEU 181 CO -0.31 0.78 -1.48 1.88 0.09 0.00 0.00 178.44 179.40 1r3s h TYR 182 N 1.29 0.57 0.00 1.13 -1.99 -0.86 -3.29 116.97 113.81 1r3s h TYR 182 Ca 0.36 -0.41 -0.27 0.00 2.00 0.00 0.00 58.73 60.41 1r3s h TYR 182 Cb -0.12 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 1r3s h TYR 182 CO -0.00 1.42 -2.12 1.04 -0.00 0.00 0.00 178.16 178.49 1r3s n GLN 183 N -3.52 0.67 -2.79 4.88 6.02 0.95 -4.59 117.38 118.99 1r3s n GLN 183 Ca -0.16 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.64 1r3s n GLN 183 Cb 1.05 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 30.72 1r3s n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1r3s n ARG 184 N -2.70 2.31 -0.32 -1.09 1.74 0.11 -4.94 116.66 111.76 1r3s n ARG 184 Ca -0.23 -4.06 0.04 0.00 -0.77 0.00 0.00 57.85 52.84 1r3s n ARG 184 Cb 0.99 -1.89 0.23 0.00 -1.02 0.00 0.00 32.46 30.78 1r3s n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r3s h PRO 185 N 2.87 1.01 -0.18 5.56 0.13 -1.61 -0.78 132.00 139.00 1r3s h PRO 185 Ca 0.12 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1r3s h PRO 185 Cb 0.89 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1r3s h PRO 185 CO 0.68 0.67 -0.02 1.96 -0.23 0.00 0.00 178.00 181.07 1r3s h GLN 186 N 1.04 0.34 -0.28 0.86 4.20 -1.91 -0.61 115.11 118.75 1r3s h GLN 186 Ca 0.41 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 1r3s h GLN 186 Cb 0.23 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1r3s h GLN 186 CO -0.16 0.57 -0.10 0.00 -0.67 0.00 0.00 178.83 178.46 1r3s h ALA 187 N 0.76 1.31 -0.08 3.87 0.00 -1.87 -0.47 119.26 122.78 1r3s h ALA 187 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1r3s h ALA 187 Cb 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1r3s h ALA 187 CO 0.01 0.46 0.02 0.77 0.00 0.00 0.00 179.25 180.52 1r3s h SER 188 N 0.43 0.11 -0.71 0.00 0.02 -0.95 0.25 113.55 112.70 1r3s h SER 188 Ca 0.08 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1r3s h SER 188 Cb 0.44 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1r3s h SER 188 CO 0.02 0.29 0.47 0.45 -1.14 0.00 0.00 176.83 176.92 1r3s h HIS 189 N -0.07 0.88 -0.02 3.45 -0.00 -0.73 -0.22 115.15 118.43 1r3s h HIS 189 Ca 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1r3s h HIS 189 Cb 0.22 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1r3s h HIS 189 CO -0.00 0.54 0.01 0.37 -0.00 0.00 0.00 177.93 178.85 1r3s h GLN 190 N 0.94 0.03 -0.27 2.45 4.15 -0.62 -0.38 115.11 121.41 1r3s h GLN 190 Ca 0.27 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.71 1r3s h GLN 190 Cb -0.07 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1r3s h GLN 190 CO -0.06 0.14 0.09 1.25 -1.93 0.00 0.00 178.83 178.31 1r3s h LEU 191 N -0.08 0.09 -1.36 -2.39 5.85 -0.57 -0.86 115.31 115.99 1r3s h LEU 191 Ca 0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1r3s h LEU 191 Cb 0.12 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1r3s h LEU 191 CO -0.00 0.08 0.14 -0.07 -0.34 0.00 0.00 178.44 178.26 1r3s h LEU 192 N 0.21 0.52 -0.27 2.25 3.38 -0.88 -0.17 115.31 120.34 1r3s h LEU 192 Ca 0.12 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1r3s h LEU 192 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1r3s h LEU 192 CO -0.13 0.49 -0.23 -0.09 0.09 0.00 0.00 178.44 178.57 1r3s h ARG 193 N 0.57 0.64 -0.32 1.13 9.65 -0.88 -0.73 114.38 124.45 1r3s h ARG 193 Ca 0.14 -0.32 0.06 0.00 -1.10 0.00 0.00 59.98 58.75 1r3s h ARG 193 Cb 0.15 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1r3s h ARG 193 CO -0.01 0.92 -0.01 0.82 2.80 0.00 0.00 179.97 184.49 1r3s h ILE 194 N 0.37 0.75 -0.61 1.20 2.04 -0.65 0.46 117.51 121.07 1r3s h ILE 194 Ca 0.05 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1r3s h ILE 194 Cb 0.78 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1r3s h ILE 194 CO 0.06 0.01 0.37 -0.07 0.00 0.00 0.00 178.15 178.52 1r3s h LEU 195 N 0.08 0.73 -0.29 1.44 3.38 -0.93 -0.87 115.31 118.84 1r3s h LEU 195 Ca 0.15 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1r3s h LEU 195 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r3s h LEU 195 CO -0.27 0.57 0.19 0.74 0.09 0.00 0.00 178.44 179.76 1r3s h THR 196 N 0.83 1.07 0.00 0.22 2.02 -0.69 0.89 112.91 117.24 1r3s h THR 196 Ca 0.22 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1r3s h THR 196 Cb -0.03 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1r3s h THR 196 CO -0.04 0.07 -0.13 0.44 0.37 0.00 0.00 175.52 176.23 1r3s h ASP 197 N 0.40 0.00 0.24 4.18 3.32 -0.52 -1.55 116.42 122.48 1r3s h ASP 197 Ca 0.11 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.81 1r3s h ASP 197 Cb -0.04 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.54 1r3s h ASP 197 CO -0.03 0.13 -1.58 0.00 -1.72 0.00 0.00 179.24 176.05 1r3s h ALA 198 N 1.87 -0.05 -0.53 3.45 0.00 -0.75 -3.38 119.26 119.85 1r3s h ALA 198 Ca -0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 54.91 53.83 1r3s h ALA 198 Cb 0.47 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1r3s h ALA 198 CO 0.02 0.81 -0.14 -0.07 0.00 0.00 0.00 179.25 179.87 1r3s h LEU 199 N 0.13 1.05 0.61 0.00 3.38 -0.31 -2.77 115.31 117.41 1r3s h LEU 199 Ca -0.29 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 1r3s h LEU 199 Cb 2.15 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1r3s h LEU 199 CO 0.24 1.17 -0.39 0.58 0.09 0.00 0.00 178.44 180.14 1r3s h VAL 200 N 0.91 0.21 -0.27 1.22 2.07 -1.48 0.68 116.25 119.59 1r3s h VAL 200 Ca 0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 1r3s h VAL 200 Cb 0.72 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1r3s h VAL 200 CO 0.06 0.00 0.04 1.55 0.02 0.00 0.00 177.57 179.24 1r3s h PRO 201 N -0.95 0.38 -0.04 1.57 0.13 -1.74 -0.86 132.00 130.50 1r3s h PRO 201 Ca -0.07 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1r3s h PRO 201 Cb 0.77 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1r3s h PRO 201 CO 0.07 0.38 0.02 -0.92 -0.23 0.00 0.00 178.00 177.32 1r3s h TYR 202 N 0.38 0.05 -0.62 1.56 3.20 -1.25 -0.42 116.97 119.88 1r3s h TYR 202 Ca 0.09 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1r3s h TYR 202 Cb 0.19 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1r3s h TYR 202 CO 0.00 0.13 0.17 -0.07 -1.64 0.00 0.00 178.16 176.76 1r3s h LEU 203 N -0.04 0.92 -0.47 2.82 3.38 -0.60 -0.76 115.31 120.56 1r3s h LEU 203 Ca 0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1r3s h LEU 203 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1r3s h LEU 203 CO -0.00 0.89 0.31 0.58 0.09 0.00 0.00 178.44 180.31 1r3s h VAL 204 N 0.89 1.10 -0.10 1.22 2.07 -1.15 -2.08 116.25 118.21 1r3s h VAL 204 Ca 0.20 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1r3s h VAL 204 Cb 0.32 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1r3s h VAL 204 CO -0.00 0.11 -0.08 1.23 0.02 0.00 0.00 177.57 178.85 1r3s h GLY 205 N 0.62 0.16 1.33 2.17 0.00 -0.61 0.18 103.07 106.93 1r3s h GLY 205 Ca 0.18 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1r3s h GLY 205 CO -0.05 0.08 -0.03 1.46 0.00 0.00 0.00 176.54 178.00 1r3s h GLN 206 N 0.15 0.81 -0.14 4.80 4.20 -0.48 0.20 115.11 124.64 1r3s h GLN 206 Ca 0.03 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 1r3s h GLN 206 Cb 0.24 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1r3s h GLN 206 CO 0.01 0.83 -0.33 0.28 -0.67 0.00 0.00 178.83 178.95 1r3s h VAL 207 N 0.74 1.36 -0.97 -0.54 2.07 -0.75 -1.15 116.25 117.02 1r3s h VAL 207 Ca 0.14 -1.61 0.10 0.00 0.82 0.00 0.00 66.70 66.15 1r3s h VAL 207 Cb 0.50 2.03 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 1r3s h VAL 207 CO 0.03 0.48 0.60 0.58 0.02 0.00 0.00 177.57 179.28 1r3s h VAL 208 N 0.08 0.97 0.00 2.57 2.07 -0.81 -0.50 116.25 120.63 1r3s h VAL 208 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1r3s h VAL 208 Cb 0.94 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1r3s h VAL 208 CO 0.07 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1r3s n ALA 209 N -2.36 1.75 0.00 1.67 0.00 0.04 -4.89 120.51 116.72 1r3s n ALA 209 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1r3s n ALA 209 Cb 0.29 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1r3s n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3s n GLY 210 N 0.19 0.67 3.78 0.00 0.00 -0.20 -3.00 105.19 106.63 1r3s n GLY 210 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1r3s n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r3s n ALA 211 N 0.00 2.45 0.54 4.61 0.00 -0.47 -4.83 120.51 122.81 1r3s n ALA 211 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 53.44 53.84 1r3s n ALA 211 Cb 0.00 -2.43 0.02 0.00 0.00 0.00 0.00 19.45 17.03 1r3s n ALA 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r3s n GLN 212 N 0.63 1.54 -3.54 0.00 6.02 0.48 -4.50 117.38 118.01 1r3s n GLN 212 Ca 0.02 -0.88 -0.09 0.00 -0.01 0.00 0.00 57.00 56.03 1r3s n GLN 212 Cb 0.39 -1.18 -0.02 0.00 1.02 0.00 0.00 30.24 30.45 1r3s n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3s s ALA 213 N -1.38 -1.61 -0.02 -1.58 0.00 -1.19 -4.31 121.76 111.67 1r3s s ALA 213 Ca 0.12 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.58 1r3s s ALA 213 Cb 0.10 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1r3s s ALA 213 CO 0.25 -0.81 -0.05 -0.51 0.00 0.00 0.00 175.76 174.64 1r3s s LEU 214 N -2.72 1.70 -0.08 0.00 1.43 -0.84 -0.77 118.68 117.41 1r3s s LEU 214 Ca 0.05 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1r3s s LEU 214 Cb -0.02 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 1r3s s LEU 214 CO -0.08 0.01 -0.25 -1.58 0.23 0.00 0.00 176.35 174.69 1r3s s GLN 215 N 0.32 2.76 -0.25 1.70 0.74 -0.17 -0.59 119.66 124.17 1r3s s GLN 215 Ca -0.04 -0.89 -0.08 0.00 0.05 0.00 0.00 55.36 54.40 1r3s s GLN 215 Cb -0.08 -2.22 -0.03 0.00 1.10 0.00 0.00 33.01 31.78 1r3s s GLN 215 CO -0.00 0.30 0.09 -1.17 -0.55 0.00 0.00 175.29 173.95 1r3s s LEU 216 N 0.05 3.55 -0.53 3.68 2.96 0.61 -2.28 118.68 126.71 1r3s s LEU 216 Ca -0.10 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.46 1r3s s LEU 216 Cb -0.16 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.65 1r3s s LEU 216 CO 0.06 -0.03 0.64 -0.36 -1.32 0.00 0.00 176.35 175.35 1r3s s PHE 217 N 1.57 3.04 -1.16 5.38 0.40 -0.26 -1.62 117.98 125.33 1r3s s PHE 217 Ca 0.06 -0.68 -0.06 0.00 -0.60 0.00 0.00 56.93 55.65 1r3s s PHE 217 Cb -0.15 -3.68 0.25 0.00 0.51 0.00 0.00 43.02 39.95 1r3s s PHE 217 CO 0.05 -1.11 1.70 -1.91 0.70 0.00 0.00 175.22 174.65 1r3s n GLU 218 N 6.20 4.26 0.26 0.44 4.07 0.36 -0.87 120.64 135.36 1r3s n GLU 218 Ca -0.08 -4.14 0.13 0.00 -0.06 0.00 0.00 57.16 53.01 1r3s n GLU 218 Cb 0.44 -2.66 0.72 0.00 -0.06 0.00 0.00 31.44 29.88 1r3s n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1r3s h SER 219 N 5.40 0.00 -0.44 4.31 0.02 -1.90 -2.36 113.55 118.58 1r3s h SER 219 Ca 0.32 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.09 1r3s h SER 219 Cb 0.58 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.01 1r3s h SER 219 CO 1.44 0.12 0.07 1.41 -1.14 0.00 0.00 176.83 178.73 1r3s n HIS 220 N -3.57 1.43 -0.29 3.45 8.25 -1.26 -4.45 115.22 118.77 1r3s n HIS 220 Ca -0.02 -1.40 0.09 0.00 -0.26 0.00 0.00 57.72 56.14 1r3s n HIS 220 Cb 0.25 -0.52 0.32 0.00 1.12 0.00 0.00 29.99 31.16 1r3s n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r3s h ALA 221 N 1.38 1.69 0.00 -1.41 0.00 -1.59 -3.15 119.26 116.17 1r3s h ALA 221 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1r3s h ALA 221 Cb 1.82 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1r3s h ALA 221 CO 0.47 0.10 0.00 0.78 0.00 0.00 0.00 179.25 180.60 1r3s h GLY 222 N 0.83 0.00 2.00 0.00 0.00 -1.62 -2.12 103.07 102.16 1r3s h GLY 222 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1r3s h GLY 222 CO -0.20 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.76 1r3s n HIS 223 N -2.71 0.77 -0.07 5.60 8.25 -1.19 -4.27 115.22 121.60 1r3s n HIS 223 Ca 0.00 0.25 -0.18 0.00 -0.26 0.00 0.00 57.72 57.53 1r3s n HIS 223 Cb 0.21 -0.90 -0.13 0.00 1.12 0.00 0.00 29.99 30.30 1r3s n HIS 223 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1r3s h LEU 224 N 0.00 0.05 -0.28 2.41 3.38 -1.60 -3.51 115.31 115.76 1r3s h LEU 224 Ca 0.00 -0.80 0.16 0.00 0.09 0.00 0.00 57.88 57.34 1r3s h LEU 224 Cb 0.60 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1r3s h LEU 224 CO 0.00 1.26 -0.60 0.61 0.09 0.00 0.00 178.44 179.81 1r3s n GLY 225 N 1.56 -2.95 0.28 0.83 0.00 -1.26 -4.31 105.19 99.33 1r3s n GLY 225 Ca -0.20 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1r3s n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r3s h PRO 226 N -0.67 0.74 -0.22 1.61 0.11 -1.96 -0.47 132.00 131.14 1r3s h PRO 226 Ca -0.09 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 1r3s h PRO 226 Cb 0.65 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1r3s h PRO 226 CO 0.04 0.49 0.04 1.96 -0.21 0.00 0.00 178.00 180.31 1r3s h GLN 227 N 0.76 0.36 -0.21 1.05 4.20 -2.00 -0.58 115.11 118.70 1r3s h GLN 227 Ca 0.34 -0.10 -0.20 0.00 0.06 0.00 0.00 58.65 58.76 1r3s h GLN 227 Cb 0.25 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1r3s h GLN 227 CO -0.21 0.50 -0.65 -0.07 -0.67 0.00 0.00 178.83 177.74 1r3s h LEU 228 N 0.16 0.88 -0.43 1.46 3.38 -1.64 -2.33 115.31 116.79 1r3s h LEU 228 Ca 0.07 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.54 1r3s h LEU 228 Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1r3s h LEU 228 CO 0.00 1.30 0.24 0.15 0.09 0.00 0.00 178.44 180.23 1r3s h PHE 229 N 0.56 0.44 -0.09 1.13 3.57 -0.97 -0.13 116.94 121.46 1r3s h PHE 229 Ca -0.02 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1r3s h PHE 229 Cb 1.26 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1r3s h PHE 229 CO 0.07 0.25 -0.28 -0.91 -2.23 0.00 0.00 178.31 175.20 1r3s h ASN 230 N 0.48 0.15 0.06 0.41 2.35 -1.03 0.85 115.58 118.85 1r3s h ASN 230 Ca 0.18 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.69 1r3s h ASN 230 Cb 0.04 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.39 1r3s h ASN 230 CO -0.10 0.44 -0.80 0.11 -1.65 0.00 0.00 177.43 175.44 1r3s h LYS 231 N 0.14 0.43 0.00 0.81 1.57 -1.01 -3.39 116.57 115.12 1r3s h LYS 231 Ca 0.02 -0.54 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1r3s h LYS 231 Cb 0.58 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1r3s h LYS 231 CO 0.04 1.20 -1.17 1.19 -0.57 0.00 0.00 179.45 180.14 1r3s n PHE 232 N -4.10 0.00 -0.12 -1.35 3.01 -0.10 -4.71 117.46 110.09 1r3s n PHE 232 Ca -0.12 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.10 1r3s n PHE 232 Cb 0.78 -0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 40.06 1r3s n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r3s n ALA 233 N -1.87 1.23 -0.19 4.37 0.00 -0.49 -4.71 120.51 118.84 1r3s n ALA 233 Ca -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 1r3s n ALA 233 Cb 0.35 0.13 0.08 0.00 0.00 0.00 0.00 19.45 20.01 1r3s n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r3s h LEU 234 N -0.94 0.35 -1.07 0.00 5.85 -1.10 -2.03 115.31 116.37 1r3s h LEU 234 Ca -0.51 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1r3s h LEU 234 Cb 1.43 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 1r3s h LEU 234 CO -0.31 0.22 0.62 -0.65 -0.34 0.00 0.00 178.44 177.99 1r3s h PRO 235 N 0.50 1.07 0.08 5.25 0.11 -1.82 -0.90 132.00 136.29 1r3s h PRO 235 Ca 0.27 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 1r3s h PRO 235 Cb 0.24 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1r3s h PRO 235 CO -0.22 0.71 -1.11 1.88 -0.21 0.00 0.00 178.00 179.04 1r3s h TYR 236 N 1.10 0.46 -0.44 0.65 -1.99 -1.79 -1.19 116.97 113.78 1r3s h TYR 236 Ca 0.42 -0.31 0.05 0.00 2.00 0.00 0.00 58.73 60.89 1r3s h TYR 236 Cb 0.21 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 1r3s h TYR 236 CO -0.00 1.20 0.19 0.82 -0.00 0.00 0.00 178.16 180.37 1r3s h ILE 237 N 0.11 0.92 -0.53 -2.88 2.04 -0.96 -0.43 117.51 115.77 1r3s h ILE 237 Ca -0.10 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1r3s h ILE 237 Cb 1.81 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1r3s h ILE 237 CO 0.18 0.07 0.20 0.03 0.00 0.00 0.00 178.15 178.63 1r3s h ARG 238 N 0.39 0.79 -0.69 2.37 3.08 -1.07 -2.93 114.38 116.33 1r3s h ARG 238 Ca 0.20 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1r3s h ARG 238 Cb 0.15 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1r3s h ARG 238 CO -0.17 0.71 0.15 -0.44 -1.07 0.00 0.00 179.97 179.14 1r3s h ASP 239 N 0.71 1.06 -0.08 7.04 3.45 -0.88 -1.75 116.42 125.98 1r3s h ASP 239 Ca 0.17 -0.24 0.02 0.00 0.43 0.00 0.00 57.03 57.41 1r3s h ASP 239 Cb 0.22 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.69 1r3s h ASP 239 CO -0.01 1.03 -0.06 0.58 -1.57 0.00 0.00 179.24 179.21 1r3s h VAL 240 N 1.04 0.82 -0.29 -1.35 2.07 -0.91 -1.02 116.25 116.61 1r3s h VAL 240 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1r3s h VAL 240 Cb 0.40 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1r3s h VAL 240 CO 0.01 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.73 1r3s h ALA 241 N 1.00 0.38 -0.19 1.67 0.00 -1.35 -0.81 119.26 119.96 1r3s h ALA 241 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r3s h ALA 241 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r3s h ALA 241 CO -0.12 -0.05 0.12 -0.22 0.00 0.00 0.00 179.25 178.98 1r3s h LYS 242 N 0.34 0.26 -0.12 0.00 3.64 -1.06 -2.30 116.57 117.33 1r3s h LYS 242 Ca 0.10 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 1r3s h LYS 242 Cb 0.13 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1r3s h LYS 242 CO -0.01 0.21 -0.78 1.96 -2.27 0.00 0.00 179.45 178.55 1r3s h GLN 243 N 0.24 0.66 -0.19 1.90 4.20 -1.12 -1.75 115.11 119.06 1r3s h GLN 243 Ca 0.07 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1r3s h GLN 243 Cb 0.01 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1r3s h GLN 243 CO -0.01 1.17 0.13 0.28 -0.67 0.00 0.00 178.83 179.73 1r3s h VAL 244 N 0.45 1.05 -0.97 -0.54 2.07 -1.09 -1.45 116.25 115.77 1r3s h VAL 244 Ca -0.05 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1r3s h VAL 244 Cb 1.40 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1r3s h VAL 244 CO 0.15 0.05 0.63 0.11 0.02 0.00 0.00 177.57 178.53 1r3s h LYS 245 N 0.26 1.29 -0.06 1.57 1.57 -1.36 -1.61 116.57 118.24 1r3s h LYS 245 Ca 0.07 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1r3s h LYS 245 Cb -0.03 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 31.99 1r3s h LYS 245 CO -0.02 0.87 0.02 0.00 -0.57 0.00 0.00 179.45 179.76 1r3s h ALA 246 N 1.34 0.08 -0.87 3.86 0.00 -1.03 -1.67 119.26 120.97 1r3s h ALA 246 Ca 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1r3s h ALA 246 Cb -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1r3s h ALA 246 CO -0.07 -0.34 0.44 0.00 0.00 0.00 0.00 179.25 179.28 1r3s h ARG 247 N -0.07 1.24 -0.33 0.00 3.08 -1.16 -1.28 114.38 115.85 1r3s h ARG 247 Ca 0.02 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1r3s h ARG 247 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1r3s h ARG 247 CO -0.00 0.93 0.06 -0.07 -1.07 0.00 0.00 179.97 179.82 1r3s h LEU 248 N 1.24 0.52 -0.43 3.04 3.38 -1.05 -1.51 115.31 120.49 1r3s h LEU 248 Ca 0.30 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1r3s h LEU 248 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1r3s h LEU 248 CO -0.04 0.64 0.16 0.03 0.09 0.00 0.00 178.44 179.31 1r3s h ARG 249 N 0.38 0.32 0.00 1.13 3.08 -1.11 -1.28 114.38 116.91 1r3s h ARG 249 Ca 0.10 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1r3s h ARG 249 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1r3s h ARG 249 CO 0.00 0.21 -0.21 0.93 -1.07 0.00 0.00 179.97 179.84 1r3s h GLU 250 N 0.33 0.00 -0.11 0.04 5.08 -0.98 -0.94 114.58 118.00 1r3s h GLU 250 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1r3s h GLU 250 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1r3s h GLU 250 CO -0.19 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1r3s n ALA 251 N -2.31 2.55 -1.02 3.43 0.00 -0.59 -4.90 120.51 117.66 1r3s n ALA 251 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 1r3s n ALA 251 Cb 0.33 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 1r3s n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3s n GLY 252 N 1.02 0.46 3.88 0.00 0.00 -0.36 -5.03 105.19 105.16 1r3s n GLY 252 Ca 0.15 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1r3s n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r3s s LEU 253 N -0.14 3.82 0.44 0.99 1.43 -0.53 -5.03 118.68 119.67 1r3s s LEU 253 Ca 0.00 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 1r3s s LEU 253 Cb 0.00 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.71 1r3s s LEU 253 CO 0.00 -0.23 0.87 0.00 0.23 0.00 0.00 176.35 177.22 1r3s s ALA 254 N -2.19 3.20 0.58 4.21 0.00 -1.26 -3.99 121.76 122.32 1r3s s ALA 254 Ca 0.38 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 1r3s s ALA 254 Cb -0.07 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 1r3s s ALA 254 CO 0.27 -0.06 1.07 -1.25 0.00 0.00 0.00 175.76 175.79 1r3s s PRO 255 N -3.79 3.32 0.25 0.00 0.04 -1.26 -4.96 135.00 128.60 1r3s s PRO 255 Ca 0.56 1.30 0.11 0.00 0.04 0.00 0.00 61.00 63.00 1r3s s PRO 255 Cb -0.10 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1r3s s PRO 255 CO 0.28 -0.82 -0.12 0.14 0.04 0.00 0.00 177.00 176.52 1r3s s VAL 256 N -2.28 2.89 0.33 -0.36 -7.23 -1.26 -5.06 120.40 107.42 1r3s s VAL 256 Ca 0.66 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1r3s s VAL 256 Cb -0.18 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.16 1r3s s VAL 256 CO 0.34 -0.32 1.32 -2.16 -0.31 0.00 0.00 175.10 173.97 1r3s s PRO 257 N -3.39 4.34 -0.03 4.82 0.04 -1.26 -4.85 135.00 134.66 1r3s s PRO 257 Ca 0.29 2.24 0.07 0.00 0.04 0.00 0.00 61.00 63.63 1r3s s PRO 257 Cb -0.06 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 1r3s s PRO 257 CO 0.16 -0.22 -0.23 -1.64 0.04 0.00 0.00 177.00 175.11 1r3s s MET 258 N -1.68 2.27 -0.12 4.56 -1.94 -1.26 -1.98 119.30 119.15 1r3s s MET 258 Ca 0.50 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1r3s s MET 258 Cb -0.40 -2.14 -0.00 0.00 2.01 0.00 0.00 34.83 34.29 1r3s s MET 258 CO 0.53 0.55 -0.20 0.42 -0.01 0.00 0.00 175.02 176.30 1r3s s ILE 259 N -0.58 2.34 -0.21 2.53 1.01 0.25 -1.45 121.20 125.08 1r3s s ILE 259 Ca 0.09 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1r3s s ILE 259 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1r3s s ILE 259 CO -0.00 0.55 0.03 -0.51 0.00 0.00 0.00 174.94 175.00 1r3s s ILE 260 N 0.46 4.20 -0.30 2.92 1.10 -0.49 -0.29 121.20 128.80 1r3s s ILE 260 Ca -0.14 -0.23 0.03 0.00 -0.51 0.00 0.00 60.65 59.81 1r3s s ILE 260 Cb -0.17 -2.91 0.08 0.00 0.15 0.00 0.00 42.46 39.61 1r3s s ILE 260 CO 0.06 0.41 -0.02 0.12 -2.11 0.00 0.00 174.94 173.39 1r3s s PHE 261 N 1.03 3.52 -0.55 3.50 5.36 -0.64 -0.43 117.98 129.77 1r3s s PHE 261 Ca 0.03 -2.68 -0.12 0.00 -0.96 0.00 0.00 56.93 53.19 1r3s s PHE 261 Cb -0.14 -2.45 0.14 0.00 -0.34 0.00 0.00 43.02 40.22 1r3s s PHE 261 CO 0.02 -0.92 0.47 0.00 -1.46 0.00 0.00 175.22 173.34 1r3s s ALA 262 N 1.00 3.60 0.22 11.12 0.00 -1.26 -0.48 121.76 135.96 1r3s s ALA 262 Ca 0.02 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.00 1r3s s ALA 262 Cb -0.19 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1r3s s ALA 262 CO -0.07 -2.01 1.31 0.21 0.00 0.00 0.00 175.76 175.20 1r3s s LYS 263 N 1.24 4.38 -1.85 0.00 2.20 -0.91 -1.54 119.74 123.28 1r3s s LYS 263 Ca 0.07 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1r3s s LYS 263 Cb -0.26 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1r3s s LYS 263 CO -0.00 -0.24 0.00 -0.25 -0.36 0.00 0.00 175.35 174.50 1r3s n ASP 264 N 2.32 -5.41 -2.13 1.43 8.00 -1.26 -2.58 116.55 116.92 1r3s n ASP 264 Ca 0.05 0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.56 1r3s n ASP 264 Cb 0.42 -4.53 0.15 0.00 -0.02 0.00 0.00 41.12 37.15 1r3s n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r3s n GLY 265 N -0.81 4.43 0.33 0.44 0.00 -0.59 -3.97 105.19 105.02 1r3s n GLY 265 Ca -0.21 -1.13 0.20 0.00 0.00 0.00 0.00 46.02 44.88 1r3s n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1r3s h HIS 266 N 1.03 0.71 0.00 1.61 2.07 -1.91 -0.14 115.15 118.53 1r3s h HIS 266 Ca 0.58 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 58.14 1r3s h HIS 266 Cb 2.47 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 32.29 1r3s h HIS 266 CO 1.44 -0.18 0.00 1.97 -3.07 0.00 0.00 177.93 178.08 1r3s n PHE 267 N -5.12 0.62 0.05 6.12 1.16 -1.26 -3.10 117.46 115.93 1r3s n PHE 267 Ca 0.28 0.23 0.05 0.00 -1.87 0.00 0.00 57.45 56.13 1r3s n PHE 267 Cb 0.86 -0.87 0.10 0.00 -1.61 0.00 0.00 39.48 37.96 1r3s n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1r3s n ALA 268 N -1.71 2.27 -0.31 1.98 0.00 -0.07 -4.75 120.51 117.93 1r3s n ALA 268 Ca 0.03 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.50 1r3s n ALA 268 Cb 0.26 -0.35 0.08 0.00 0.00 0.00 0.00 19.45 19.43 1r3s n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r3s h LEU 269 N 1.78 1.10 -0.41 0.00 3.38 -1.53 0.36 115.31 119.99 1r3s h LEU 269 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1r3s h LEU 269 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1r3s h LEU 269 CO 0.00 0.92 0.24 -0.08 0.09 0.00 0.00 178.44 179.62 1r3s h GLU 270 N 1.21 0.55 -0.34 1.13 4.81 -1.86 -1.52 114.58 118.56 1r3s h GLU 270 Ca 0.29 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1r3s h GLU 270 Cb 0.10 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1r3s h GLU 270 CO -0.04 0.41 0.11 0.93 -0.73 0.00 0.00 179.01 179.69 1r3s h GLU 271 N 0.53 0.53 -0.19 1.92 4.39 -1.75 -2.94 114.58 117.07 1r3s h GLU 271 Ca 0.15 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1r3s h GLU 271 Cb 0.00 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1r3s h GLU 271 CO -0.03 0.55 0.13 -0.07 -1.16 0.00 0.00 179.01 178.44 1r3s h LEU 272 N 0.40 0.18 -0.88 1.33 3.38 -0.70 0.85 115.31 119.87 1r3s h LEU 272 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1r3s h LEU 272 Cb 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1r3s h LEU 272 CO -0.00 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1r3s h ALA 273 N 1.89 1.00 -0.02 1.53 0.00 -1.09 -2.74 119.26 119.83 1r3s h ALA 273 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r3s h ALA 273 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r3s h ALA 273 CO -0.01 0.00 -0.33 1.04 0.00 0.00 0.00 179.25 179.95 1r3s n GLN 274 N -2.36 1.53 -0.04 0.00 6.02 0.27 -4.70 117.38 118.10 1r3s n GLN 274 Ca 0.02 -1.03 0.11 0.00 -0.01 0.00 0.00 57.00 56.09 1r3s n GLN 274 Cb 0.22 -1.37 0.50 0.00 1.02 0.00 0.00 30.24 30.61 1r3s n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r3s n ALA 275 N 0.13 2.57 -0.26 -1.58 0.00 -1.03 -4.87 120.51 115.45 1r3s n ALA 275 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1r3s n ALA 275 Cb 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1r3s n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r3s n GLY 276 N 1.04 0.84 3.63 0.00 0.00 -1.26 -4.43 105.19 105.00 1r3s n GLY 276 Ca 0.17 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1r3s n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r3s s TYR 277 N -2.00 3.13 0.40 1.61 1.51 -1.26 -4.86 117.35 115.88 1r3s s TYR 277 Ca 0.00 0.05 0.13 0.00 -1.01 0.00 0.00 57.07 56.23 1r3s s TYR 277 Cb 0.00 -1.87 0.83 0.00 -0.11 0.00 0.00 41.96 40.81 1r3s s TYR 277 CO 0.00 0.29 1.90 0.93 -1.11 0.00 0.00 175.55 177.56 1r3s h GLU 278 N 5.77 0.04 -4.30 -0.62 3.07 -1.58 -3.44 114.58 113.53 1r3s h GLU 278 Ca -0.44 -0.01 -0.43 0.00 -0.50 0.00 0.00 59.36 57.98 1r3s h GLU 278 Cb 1.19 -0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 28.77 1r3s h GLU 278 CO 0.59 0.31 -0.78 0.08 -1.40 0.00 0.00 179.01 177.80 1r3s s VAL 279 N -4.43 0.73 -0.24 3.13 1.01 -0.88 -1.57 120.40 118.14 1r3s s VAL 279 Ca -0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1r3s s VAL 279 Cb 0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1r3s s VAL 279 CO 0.72 0.25 0.04 -0.69 0.00 0.00 0.00 175.10 175.42 1r3s s VAL 280 N 0.62 4.05 0.14 2.92 1.01 -0.19 -1.40 120.40 127.55 1r3s s VAL 280 Ca -0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1r3s s VAL 280 Cb -0.13 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 1r3s s VAL 280 CO 0.01 0.36 0.52 -0.83 0.00 0.00 0.00 175.10 175.17 1r3s s GLY 281 N 1.58 2.43 0.02 4.51 0.00 0.43 -1.46 107.32 114.83 1r3s s GLY 281 Ca 0.06 -0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.68 1r3s s GLY 281 CO 0.02 0.08 -0.22 1.08 0.00 0.00 0.00 173.10 174.06 1r3s s LEU 282 N -2.00 2.12 0.88 0.66 1.43 0.20 -4.09 118.68 117.87 1r3s s LEU 282 Ca 0.38 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1r3s s LEU 282 Cb -0.15 -1.09 0.13 0.00 0.03 0.00 0.00 46.19 45.12 1r3s s LEU 282 CO 0.19 0.22 1.24 1.51 0.23 0.00 0.00 176.35 179.74 1r3s s ASP 283 N -0.93 3.84 0.00 2.29 1.47 -1.26 -4.45 116.67 117.63 1r3s s ASP 283 Ca 0.09 0.57 0.30 0.00 1.18 0.00 0.00 52.55 54.69 1r3s s ASP 283 Cb -0.09 -0.87 1.50 0.00 -0.34 0.00 0.00 42.92 43.11 1r3s s ASP 283 CO 0.01 -2.31 2.04 -2.67 0.68 0.00 0.00 175.17 172.92 1r3s n TRP 284 N -3.54 0.00 0.72 2.11 2.14 -1.22 -3.38 117.44 114.27 1r3s n TRP 284 Ca 0.11 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.81 1r3s n TRP 284 Cb 0.60 -0.30 0.32 0.00 -0.81 0.00 0.00 31.31 31.12 1r3s n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1r3s n THR 285 N -1.30 0.32 -3.50 -1.67 -2.24 -1.26 -4.76 114.28 99.87 1r3s n THR 285 Ca 0.14 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 1r3s n THR 285 Cb 0.25 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.13 1r3s n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r3s s VAL 286 N -3.10 5.26 0.14 2.28 1.01 -1.22 -5.04 120.40 119.73 1r3s s VAL 286 Ca 0.09 0.48 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 1r3s s VAL 286 Cb 0.15 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1r3s s VAL 286 CO 0.65 0.28 1.48 0.00 0.00 0.00 0.00 175.10 177.51 1r3s s ALA 287 N 1.32 3.68 0.27 5.51 0.00 -1.26 -4.87 121.76 126.41 1r3s s ALA 287 Ca 0.14 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 1r3s s ALA 287 Cb -0.14 -3.58 0.58 0.00 0.00 0.00 0.00 23.12 19.98 1r3s s ALA 287 CO 0.07 -0.70 1.71 -1.35 0.00 0.00 0.00 175.76 175.48 1r3s h PRO 288 N 6.83 0.39 -0.58 0.00 0.11 -1.95 -1.03 132.00 135.77 1r3s h PRO 288 Ca -0.42 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1r3s h PRO 288 Cb 1.21 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1r3s h PRO 288 CO 0.89 0.26 0.16 0.87 -0.21 0.00 0.00 178.00 179.97 1r3s h LYS 289 N 0.40 0.88 -0.34 1.05 1.57 -1.91 -0.53 116.57 117.69 1r3s h LYS 289 Ca 0.48 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.96 1r3s h LYS 289 Cb 0.84 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1r3s h LYS 289 CO -0.48 0.77 -0.32 0.87 -0.57 0.00 0.00 179.45 179.72 1r3s h LYS 290 N 0.85 0.75 -0.59 3.15 1.57 -1.61 -2.35 116.57 118.33 1r3s h LYS 290 Ca 0.19 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1r3s h LYS 290 Cb 0.28 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1r3s h LYS 290 CO -0.01 0.96 0.31 0.00 -0.57 0.00 0.00 179.45 180.15 1r3s h ALA 291 N 1.01 0.76 -0.85 3.86 0.00 -0.78 -1.77 119.26 121.49 1r3s h ALA 291 Ca 0.07 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1r3s h ALA 291 Cb 0.85 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1r3s h ALA 291 CO 0.07 0.30 0.56 -0.09 0.00 0.00 0.00 179.25 180.09 1r3s h ARG 292 N 0.80 1.08 -0.63 0.00 9.65 -0.97 -0.41 114.38 123.91 1r3s h ARG 292 Ca 0.21 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1r3s h ARG 292 Cb 0.07 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 1r3s h ARG 292 CO -0.03 0.71 0.32 0.93 2.80 0.00 0.00 179.97 184.70 1r3s h GLU 293 N 1.11 0.89 -0.44 0.20 5.08 -1.08 -1.15 114.58 119.19 1r3s h GLU 293 Ca 0.33 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1r3s h GLU 293 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1r3s h GLU 293 CO -0.09 0.69 0.11 0.00 -1.00 0.00 0.00 179.01 178.72 1r3s h VAL 295 N 0.57 0.00 0.00 0.00 -1.51 -0.99 -3.36 116.25 110.96 1r3s h VAL 295 Ca 0.14 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1r3s h VAL 295 Cb 0.31 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1r3s h VAL 295 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1r3s n GLY 296 N 1.19 -1.80 0.96 5.19 0.00 -0.44 -4.66 105.19 105.62 1r3s n GLY 296 Ca 0.01 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1r3s n GLY 296 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r3s n LYS 297 N 0.00 2.27 -0.10 1.61 5.02 -1.26 -4.46 118.16 121.24 1r3s n LYS 297 Ca 0.00 -1.94 -0.18 0.00 -2.02 0.00 0.00 58.31 54.17 1r3s n LYS 297 Cb 0.00 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.47 1r3s n LYS 297 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1r3s n THR 298 N 1.33 1.50 -1.85 -0.18 -2.24 -1.26 -4.97 114.28 106.61 1r3s n THR 298 Ca 0.14 -0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 1r3s n THR 298 Cb 0.59 -2.12 0.04 0.00 -2.10 0.00 0.00 70.33 66.74 1r3s n THR 298 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1r3s s VAL 299 N -2.39 2.90 0.07 2.28 -7.23 -1.26 -4.86 120.40 109.91 1r3s s VAL 299 Ca -0.27 0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 1r3s s VAL 299 Cb 0.06 -3.07 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 1r3s s VAL 299 CO 0.48 -0.20 0.62 -0.89 -0.31 0.00 0.00 175.10 174.80 1r3s s THR 300 N -1.98 4.70 0.06 5.32 2.01 -0.61 -4.94 115.64 120.20 1r3s s THR 300 Ca 0.72 1.34 -0.06 0.00 0.31 0.00 0.00 61.69 63.99 1r3s s THR 300 Cb -0.25 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1r3s s THR 300 CO 0.37 0.51 0.31 -0.76 -0.69 0.00 0.00 174.62 174.37 1r3s s LEU 301 N -0.89 4.34 -0.03 4.42 1.43 -0.58 -1.02 118.68 126.35 1r3s s LEU 301 Ca 0.31 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 1r3s s LEU 301 Cb -0.20 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.11 1r3s s LEU 301 CO 0.20 0.18 -0.13 -1.58 0.23 0.00 0.00 176.35 175.25 1r3s s GLN 302 N -2.08 1.33 0.00 1.70 0.74 -0.53 -1.03 119.66 119.79 1r3s s GLN 302 Ca 0.33 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.28 1r3s s GLN 302 Cb -0.13 -1.20 0.00 0.00 1.10 0.00 0.00 33.01 32.78 1r3s s GLN 302 CO 0.20 0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 1r3s n GLY 303 N 3.17 0.85 1.54 2.59 0.00 -0.54 -0.63 105.19 112.17 1r3s n GLY 303 Ca -0.18 -1.90 0.01 0.00 0.00 0.00 0.00 46.02 43.96 1r3s n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1r3s n ASN 304 N 0.00 0.53 -4.72 1.61 6.94 -0.77 -2.16 115.26 116.69 1r3s n ASN 304 Ca 0.00 -2.01 -0.42 0.00 -0.02 0.00 0.00 54.58 52.13 1r3s n ASN 304 Cb 0.00 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 1r3s n ASN 304 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1r3s s LEU 305 N -0.46 4.37 -0.38 -4.53 2.96 -0.98 -3.37 118.68 116.29 1r3s s LEU 305 Ca 0.25 2.79 -0.43 0.00 -0.22 0.00 0.00 54.13 56.52 1r3s s LEU 305 Cb 0.30 -3.60 -0.17 0.00 0.50 0.00 0.00 46.19 43.21 1r3s s LEU 305 CO -0.12 -0.92 1.73 -0.67 -1.32 0.00 0.00 176.35 175.05 1r3s n ASP 306 N 3.84 1.84 -0.00 3.68 2.03 -1.26 -0.17 116.55 126.51 1r3s n ASP 306 Ca 0.15 1.08 0.13 0.00 0.52 0.00 0.00 54.79 56.66 1r3s n ASP 306 Cb 0.36 -1.03 0.57 0.00 -0.72 0.00 0.00 41.12 40.31 1r3s n ASP 306 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1r3s h PRO 307 N 6.65 0.23 0.00 -0.67 0.13 -1.89 -0.15 132.00 136.29 1r3s h PRO 307 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1r3s h PRO 307 Cb 1.34 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1r3s h PRO 307 CO 0.98 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.90 1r3s h ALA 309 N 2.12 1.73 0.00 0.00 0.00 -1.37 -0.95 119.26 120.79 1r3s h ALA 309 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r3s h ALA 309 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1r3s h ALA 309 CO 0.00 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.20 1r3s n LEU 310 N -3.63 0.00 0.17 0.00 4.77 -0.76 -1.32 117.00 116.22 1r3s n LEU 310 Ca 0.02 0.37 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1r3s n LEU 310 Cb 0.35 -0.37 0.44 0.00 -2.33 0.00 0.00 43.42 41.51 1r3s n LEU 310 CO 0.25 -0.12 0.88 1.88 -1.33 0.00 0.00 177.39 178.95 1r3s h TYR 311 N 0.00 0.00 -4.26 -1.77 0.99 -1.38 -3.44 116.97 107.11 1r3s h TYR 311 Ca 0.00 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.27 1r3s h TYR 311 Cb 0.25 0.00 0.13 0.00 1.00 0.00 0.00 36.73 38.11 1r3s h TYR 311 CO 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 178.16 178.47 1r3s s ALA 312 N -3.29 1.84 0.85 3.88 0.00 -0.43 -5.02 121.76 119.59 1r3s s ALA 312 Ca 0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.36 1r3s s ALA 312 Cb 0.09 -3.02 0.11 0.00 0.00 0.00 0.00 23.12 20.30 1r3s s ALA 312 CO 0.54 -2.26 1.13 -1.54 0.00 0.00 0.00 175.76 173.63 1r3s s SER 313 N -4.10 3.58 0.26 0.00 1.04 -1.26 -4.74 113.70 108.48 1r3s s SER 313 Ca 0.64 2.05 -0.03 0.00 0.48 0.00 0.00 55.95 59.08 1r3s s SER 313 Cb -0.14 -2.55 0.37 0.00 0.10 0.00 0.00 66.02 63.80 1r3s s SER 313 CO 0.53 -2.66 1.89 -0.33 0.98 0.00 0.00 173.24 173.64 1r3s h GLU 314 N -1.54 1.15 -0.41 4.02 5.08 -1.95 0.46 114.58 121.39 1r3s h GLU 314 Ca -0.43 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1r3s h GLU 314 Cb 1.25 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1r3s h GLU 314 CO 0.46 0.76 0.24 1.49 -1.00 0.00 0.00 179.01 180.95 1r3s h GLU 315 N 1.18 0.56 -0.58 2.33 4.81 -2.00 -1.55 114.58 119.34 1r3s h GLU 315 Ca 0.41 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1r3s h GLU 315 Cb 0.11 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1r3s h GLU 315 CO -0.16 0.43 0.17 0.93 -0.73 0.00 0.00 179.01 179.65 1r3s h GLU 316 N 0.54 0.90 -0.55 1.92 5.08 -1.67 -2.26 114.58 118.54 1r3s h GLU 316 Ca 0.15 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1r3s h GLU 316 Cb 0.02 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1r3s h GLU 316 CO -0.03 0.82 0.27 0.82 -1.00 0.00 0.00 179.01 179.89 1r3s h ILE 317 N 0.81 0.94 -0.89 3.13 2.04 -0.67 -0.27 117.51 122.59 1r3s h ILE 317 Ca 0.18 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1r3s h ILE 317 Cb 0.30 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1r3s h ILE 317 CO -0.00 0.10 0.59 1.23 0.00 0.00 0.00 178.15 180.06 1r3s h GLY 318 N 0.52 1.26 1.08 5.37 0.00 -0.89 -0.37 103.07 110.04 1r3s h GLY 318 Ca 0.25 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.97 1r3s h GLY 318 CO -0.18 0.42 -0.41 1.46 0.00 0.00 0.00 176.54 177.82 1r3s h GLN 319 N 1.16 0.83 -0.80 4.80 4.20 -0.78 -1.26 115.11 123.26 1r3s h GLN 319 Ca 0.34 -0.48 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1r3s h GLN 319 Cb -0.05 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1r3s h GLN 319 CO -0.09 1.11 0.33 -0.07 -0.67 0.00 0.00 178.83 179.44 1r3s h LEU 320 N 0.61 1.11 -0.35 1.46 3.38 -0.76 -1.90 115.31 118.85 1r3s h LEU 320 Ca 0.04 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1r3s h LEU 320 Cb 1.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1r3s h LEU 320 CO 0.10 0.97 0.12 0.58 0.09 0.00 0.00 178.44 180.30 1r3s h VAL 321 N 1.17 1.20 -0.47 1.22 2.07 -0.99 -0.86 116.25 119.59 1r3s h VAL 321 Ca 0.27 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1r3s h VAL 321 Cb 0.21 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1r3s h VAL 321 CO -0.02 0.22 0.12 0.50 0.02 0.00 0.00 177.57 178.41 1r3s h LYS 322 N 0.41 0.26 -0.53 1.57 3.64 -1.05 -0.59 116.57 120.26 1r3s h LYS 322 Ca 0.11 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1r3s h LYS 322 Cb 0.23 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1r3s h LYS 322 CO -0.01 0.17 0.18 0.37 -2.27 0.00 0.00 179.45 177.89 1r3s h GLN 323 N 0.26 0.82 -0.25 1.90 5.75 -1.16 -0.95 115.11 121.49 1r3s h GLN 323 Ca 0.23 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1r3s h GLN 323 Cb 0.28 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1r3s h GLN 323 CO -0.28 0.75 0.15 1.98 -2.65 0.00 0.00 178.83 178.77 1r3s h MET 324 N 0.73 0.30 -0.34 1.69 4.05 -0.69 -2.14 114.93 118.53 1r3s h MET 324 Ca 0.17 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 1r3s h MET 324 Cb 0.26 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1r3s h MET 324 CO -0.01 0.20 -0.06 -0.07 0.23 0.00 0.00 176.91 177.20 1r3s h LEU 325 N 0.31 0.52 -0.68 3.39 4.07 -0.96 -1.48 115.31 120.49 1r3s h LEU 325 Ca 0.09 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.94 1r3s h LEU 325 Cb -0.01 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 1r3s h LEU 325 CO -0.04 0.63 0.45 0.44 -1.08 0.00 0.00 178.44 178.84 1r3s h ASP 326 N 0.52 0.78 -0.40 -0.43 3.32 -0.85 -1.22 116.42 118.13 1r3s h ASP 326 Ca 0.10 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1r3s h ASP 326 Cb 0.42 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1r3s h ASP 326 CO 0.02 0.57 -0.34 0.44 -1.72 0.00 0.00 179.24 178.22 1r3s h ASP 327 N 0.92 0.99 0.36 6.45 5.19 -0.85 -3.19 116.42 126.29 1r3s h ASP 327 Ca 0.25 -0.45 -0.15 0.00 -0.62 0.00 0.00 57.03 56.06 1r3s h ASP 327 Cb -0.10 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.12 1r3s h ASP 327 CO -0.05 1.23 -0.61 -0.26 -3.12 0.00 0.00 179.24 176.43 1r3s h PHE 328 N 0.76 0.32 -1.31 4.55 -1.00 -1.20 -3.38 116.94 115.68 1r3s h PHE 328 Ca 0.07 -0.12 0.14 0.00 2.81 0.00 0.00 57.97 60.86 1r3s h PHE 328 Cb 0.93 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.37 1r3s h PHE 328 CO 0.06 0.79 -0.42 0.41 -1.61 0.00 0.00 178.31 177.55 1r3s n GLY 329 N 0.29 -2.56 0.17 -1.45 0.00 -0.47 -4.69 105.19 96.47 1r3s n GLY 329 Ca -0.02 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.71 1r3s n GLY 329 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r3s h PRO 330 N -0.53 0.00 -6.35 1.61 0.13 -1.93 -3.45 132.00 121.47 1r3s h PRO 330 Ca -0.06 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.52 1r3s h PRO 330 Cb 0.52 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.61 1r3s h PRO 330 CO 0.02 0.44 0.02 -1.01 -0.23 0.00 0.00 178.00 177.24 1r3s s HIS 331 N -3.54 3.77 -1.19 1.56 3.76 -1.26 -4.44 115.29 113.95 1r3s s HIS 331 Ca 0.00 1.32 -0.02 0.00 -0.15 0.00 0.00 55.06 56.21 1r3s s HIS 331 Cb 0.11 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 1r3s s HIS 331 CO 0.71 0.51 0.92 0.54 -0.85 0.00 0.00 174.74 176.57 1r3s n ARG 332 N 1.38 -5.27 -3.72 1.40 1.74 -1.26 -4.92 116.66 106.01 1r3s n ARG 332 Ca -0.07 0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 57.69 1r3s n ARG 332 Cb 0.51 -5.68 -0.12 0.00 -1.02 0.00 0.00 32.46 26.15 1r3s n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1r3s s TYR 333 N -3.43 -0.46 -0.13 -1.55 5.04 -1.26 -1.52 117.35 114.04 1r3s s TYR 333 Ca 0.11 1.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.78 1r3s s TYR 333 Cb -0.02 0.16 0.01 0.00 0.35 0.00 0.00 41.96 42.47 1r3s s TYR 333 CO 0.75 -0.27 -0.18 0.42 -1.34 0.00 0.00 175.55 174.94 1r3s s ILE 334 N 1.06 1.73 0.29 3.14 1.01 -0.20 -4.56 121.20 123.66 1r3s s ILE 334 Ca -0.07 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 1r3s s ILE 334 Cb -0.08 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.74 1r3s s ILE 334 CO -0.08 0.49 0.97 0.00 0.00 0.00 0.00 174.94 176.32 1r3s s ALA 335 N 1.04 3.29 0.25 9.38 0.00 -0.51 -1.46 121.76 133.75 1r3s s ALA 335 Ca -0.04 0.64 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 1r3s s ALA 335 Cb -0.15 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1r3s s ALA 335 CO -0.04 0.11 0.88 1.21 0.00 0.00 0.00 175.76 177.92 1r3s s ASN 336 N -1.31 -0.10 0.92 0.00 3.84 -0.92 -2.41 114.94 114.96 1r3s s ASN 336 Ca 0.46 -0.71 -0.13 0.00 0.21 0.00 0.00 52.86 52.68 1r3s s ASN 336 Cb -0.24 0.64 0.15 0.00 -0.55 0.00 0.00 41.25 41.25 1r3s s ASN 336 CO 0.30 -1.24 1.17 -0.76 -2.79 0.00 0.00 177.10 173.79 1r3s s LEU 337 N -3.08 2.12 0.00 3.21 1.43 -1.26 -1.84 118.68 119.26 1r3s s LEU 337 Ca 0.15 0.78 0.29 0.00 -1.03 0.00 0.00 54.13 54.33 1r3s s LEU 337 Cb -0.04 -3.05 1.27 0.00 0.03 0.00 0.00 46.19 44.41 1r3s s LEU 337 CO 0.06 -2.57 1.94 0.61 0.23 0.00 0.00 176.35 176.62 1r3s n GLY 338 N -2.60 -1.44 2.88 -3.19 0.00 0.76 -4.42 105.19 97.18 1r3s n GLY 338 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 1r3s n GLY 338 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r3s n HIS 339 N -1.44 -0.94 -1.89 1.61 -0.00 -1.26 -4.18 115.22 107.11 1r3s n HIS 339 Ca 0.09 -0.84 -0.33 0.00 -0.00 0.00 0.00 57.72 56.64 1r3s n HIS 339 Cb 0.32 0.40 0.03 0.00 -0.00 0.00 0.00 29.99 30.74 1r3s n HIS 339 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1r3s s GLY 340 N -3.17 2.07 0.48 1.57 0.00 -1.26 -4.59 107.32 102.41 1r3s s GLY 340 Ca 0.18 0.39 -0.23 0.00 0.00 0.00 0.00 44.72 45.06 1r3s s GLY 340 CO 0.03 0.72 1.16 1.04 0.00 0.00 0.00 173.10 176.05 1r3s n LEU 341 N -2.30 3.87 -4.93 0.66 4.77 -0.58 -4.90 117.00 113.60 1r3s n LEU 341 Ca 0.09 1.01 -0.27 0.00 -0.03 0.00 0.00 56.01 56.81 1r3s n LEU 341 Cb 0.53 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1r3s n LEU 341 CO 0.48 -1.07 0.06 -0.31 -1.33 0.00 0.00 177.39 175.23 1r3s s TYR 342 N -1.29 3.48 0.51 -1.77 4.12 -1.26 -4.90 117.35 116.24 1r3s s TYR 342 Ca 0.66 0.38 0.35 0.00 0.02 0.00 0.00 57.07 58.49 1r3s s TYR 342 Cb -0.49 -1.89 1.89 0.00 -1.52 0.00 0.00 41.96 39.96 1r3s s TYR 342 CO 0.54 0.33 2.22 -1.35 0.02 0.00 0.00 175.55 177.31 1r3s h PRO 343 N 1.84 0.00 -0.63 -1.71 0.11 -1.96 -2.52 132.00 127.14 1r3s h PRO 343 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r3s h PRO 343 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1r3s h PRO 343 CO 0.67 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1r3s n ASP 344 N -3.40 3.97 -4.87 -2.05 5.75 -1.26 -3.59 116.55 111.10 1r3s n ASP 344 Ca -0.02 -2.36 -0.30 0.00 -0.01 0.00 0.00 54.79 52.10 1r3s n ASP 344 Cb 0.15 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 1r3s n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1r3s s MET 345 N -1.78 3.80 -0.25 0.11 -1.94 -0.95 -5.03 119.30 113.26 1r3s s MET 345 Ca 0.42 0.53 -0.19 0.00 -1.71 0.00 0.00 55.69 54.75 1r3s s MET 345 Cb 0.27 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.73 1r3s s MET 345 CO 0.20 -0.08 0.54 0.34 -0.01 0.00 0.00 175.02 176.02 1r3s s ASP 346 N -3.17 6.48 0.41 3.03 -1.08 -1.26 -4.76 116.67 116.33 1r3s s ASP 346 Ca 0.52 0.59 0.17 0.00 -0.52 0.00 0.00 52.55 53.31 1r3s s ASP 346 Cb -0.10 -2.30 1.07 0.00 -1.46 0.00 0.00 42.92 40.13 1r3s s ASP 346 CO 0.32 -0.29 1.84 -0.65 0.52 0.00 0.00 175.17 176.90 1r3s h PRO 347 N 7.92 0.41 -0.09 4.34 0.11 -1.96 -0.07 132.00 142.65 1r3s h PRO 347 Ca -0.29 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1r3s h PRO 347 Cb 1.14 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1r3s h PRO 347 CO 0.73 0.27 -0.04 0.93 -0.21 0.00 0.00 178.00 179.69 1r3s h GLU 348 N 0.42 0.13 0.00 1.05 4.39 -1.97 -1.15 114.58 117.46 1r3s h GLU 348 Ca 0.50 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 60.00 1r3s h GLU 348 Cb 1.22 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1r3s h GLU 348 CO -0.20 0.18 -0.85 0.45 -1.16 0.00 0.00 179.01 177.43 1r3s h HIS 349 N 0.13 0.10 -0.52 4.33 3.86 -1.34 -1.04 115.15 120.67 1r3s h HIS 349 Ca 0.03 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1r3s h HIS 349 Cb 0.16 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1r3s h HIS 349 CO 0.00 0.88 0.22 0.28 0.86 0.00 0.00 177.93 180.18 1r3s h VAL 350 N 0.03 1.21 -0.78 2.45 2.07 -1.11 -1.68 116.25 118.44 1r3s h VAL 350 Ca -0.02 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1r3s h VAL 350 Cb 1.49 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1r3s h VAL 350 CO 0.12 0.24 0.48 1.23 0.02 0.00 0.00 177.57 179.66 1r3s h GLY 351 N 0.70 1.15 1.03 2.17 0.00 -1.09 -1.69 103.07 105.33 1r3s h GLY 351 Ca 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1r3s h GLY 351 CO -0.02 0.27 0.45 0.00 0.00 0.00 0.00 176.54 177.24 1r3s h ALA 352 N 1.35 1.09 0.07 3.60 0.00 -0.88 -1.00 119.26 123.49 1r3s h ALA 352 Ca 0.33 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1r3s h ALA 352 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1r3s h ALA 352 CO -0.14 0.61 -0.12 0.35 0.00 0.00 0.00 179.25 179.95 1r3s h PHE 353 N 1.19 -0.30 -0.07 0.00 3.57 -0.71 -1.40 116.94 119.22 1r3s h PHE 353 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1r3s h PHE 353 Cb 0.05 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1r3s h PHE 353 CO 0.01 -0.18 0.05 0.28 -2.23 0.00 0.00 178.31 176.23 1r3s h VAL 354 N -0.24 1.03 -0.42 1.41 2.07 -1.03 -1.95 116.25 117.13 1r3s h VAL 354 Ca 0.02 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1r3s h VAL 354 Cb 0.25 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1r3s h VAL 354 CO -0.07 0.03 0.13 0.44 0.02 0.00 0.00 177.57 178.12 1r3s h ASP 355 N 0.08 0.56 -0.23 0.57 3.32 -1.17 -2.45 116.42 117.10 1r3s h ASP 355 Ca 0.03 -0.07 -0.18 0.00 0.02 0.00 0.00 57.03 56.83 1r3s h ASP 355 Cb 0.01 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1r3s h ASP 355 CO -0.01 0.54 -0.53 0.00 -1.72 0.00 0.00 179.24 177.53 1r3s h ALA 356 N 1.54 0.54 -0.39 3.45 0.00 -0.83 0.12 119.26 123.70 1r3s h ALA 356 Ca 0.14 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1r3s h ALA 356 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1r3s h ALA 356 CO -0.01 0.68 0.21 0.28 0.00 0.00 0.00 179.25 180.42 1r3s h VAL 357 N 0.63 1.14 0.19 0.00 2.07 -1.04 -0.64 116.25 118.61 1r3s h VAL 357 Ca 0.02 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1r3s h VAL 357 Cb 1.12 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1r3s h VAL 357 CO 0.11 0.15 -0.09 0.45 0.02 0.00 0.00 177.57 178.21 1r3s h HIS 358 N 0.50 -0.24 0.22 1.57 -0.00 -1.28 -1.18 115.15 114.74 1r3s h HIS 358 Ca 0.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.49 1r3s h HIS 358 Cb 0.05 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1r3s h HIS 358 CO -0.03 -0.14 -0.10 -0.22 -0.00 0.00 0.00 177.93 177.44 1r3s h LYS 359 N -0.27 -0.28 0.00 2.45 3.64 -0.88 -2.81 116.57 118.42 1r3s h LYS 359 Ca -0.03 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1r3s h LYS 359 Cb 0.20 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1r3s h LYS 359 CO 0.04 -0.14 -0.45 0.45 -2.27 0.00 0.00 179.45 177.08 1r3s h HIS 360 N -0.35 0.00 -0.08 1.91 3.86 -1.15 -2.70 115.15 116.65 1r3s h HIS 360 Ca -0.03 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.01 1r3s h HIS 360 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1r3s h HIS 360 CO -0.05 0.45 -0.69 0.66 0.86 0.00 0.00 177.93 179.17 1r3s h SER 361 N 0.00 0.41 -0.28 2.45 4.64 -1.21 -1.97 113.55 117.59 1r3s h SER 361 Ca -0.00 -0.26 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 1r3s h SER 361 Cb 1.04 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1r3s h SER 361 CO 0.06 0.97 -0.15 0.03 -0.87 0.00 0.00 176.83 176.87 1r3s h ARG 362 N 0.24 0.60 -0.21 4.77 3.08 -1.38 -2.94 114.38 118.54 1r3s h ARG 362 Ca -0.02 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.77 1r3s h ARG 362 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1r3s h ARG 362 CO 0.11 0.84 0.14 -0.07 -1.07 0.00 0.00 179.97 179.93 1r3s h LEU 363 N 0.34 0.23 -0.68 3.04 3.38 -1.47 -2.28 115.31 117.85 1r3s h LEU 363 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1r3s h LEU 363 Cb 0.67 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1r3s h LEU 363 CO 0.04 0.16 0.00 0.25 0.09 0.00 0.00 178.44 178.99 1r3s h LEU 364 N 0.27 0.00 0.00 1.67 5.85 -1.18 -3.20 115.31 118.72 1r3s h LEU 364 Ca 0.08 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1r3s h LEU 364 Cb -0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1r3s h LEU 364 CO -0.02 0.00 -1.39 0.54 -0.34 0.00 0.00 178.44 177.23 1r3s n ARG 365 N -3.09 0.62 0.00 1.25 1.74 -0.87 -4.98 116.66 111.33 1r3s n ARG 365 Ca 0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1r3s n ARG 365 Cb 0.42 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1r3s n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05