#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ndn n VAL 7 N 0.00 0.00 0.46 2.46 0.24 -1.26 -4.23 118.33 116.00 3ndn n VAL 7 Ca 0.00 -0.04 0.11 0.00 -2.04 0.00 0.00 64.34 62.37 3ndn n VAL 7 Cb 0.00 0.39 0.26 0.00 -1.47 0.00 0.00 33.84 33.02 3ndn n VAL 7 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3ndn n ARG 8 N -1.22 2.32 -2.40 7.34 1.74 -1.26 -4.93 116.66 118.25 3ndn n ARG 8 Ca 0.07 -2.01 -0.43 0.00 -0.77 0.00 0.00 57.85 54.71 3ndn n ARG 8 Cb 0.34 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 3ndn n ARG 8 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ndn s THR 9 N -1.50 4.15 0.74 0.55 2.01 -1.26 -5.02 115.64 115.32 3ndn s THR 9 Ca 0.38 1.33 -0.11 0.00 0.31 0.00 0.00 61.69 63.60 3ndn s THR 9 Cb 0.21 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.67 3ndn s THR 9 CO 0.30 -0.37 1.08 -2.16 -0.69 0.00 0.00 174.62 172.77 3ndn s PRO 10 N 4.01 2.54 0.15 4.92 0.04 -1.26 -4.94 135.00 140.46 3ndn s PRO 10 Ca 0.57 0.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 3ndn s PRO 10 Cb -0.19 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 3ndn s PRO 10 CO 0.21 -1.36 1.77 0.21 0.04 0.00 0.00 177.00 177.87 3ndn s LYS 11 N -5.07 4.14 0.33 4.56 2.20 -0.62 -4.95 119.74 120.34 3ndn s LYS 11 Ca 0.59 2.57 -0.29 0.00 -0.36 0.00 0.00 55.97 58.49 3ndn s LYS 11 Cb -0.15 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 3ndn s LYS 11 CO 0.55 -0.79 1.29 0.00 -0.36 0.00 0.00 175.35 176.03 3ndn s ALA 12 N 2.14 3.48 0.13 3.13 0.00 -1.26 -4.61 121.76 124.77 3ndn s ALA 12 Ca 0.78 1.23 0.05 0.00 0.00 0.00 0.00 51.96 54.02 3ndn s ALA 12 Cb -0.47 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 3ndn s ALA 12 CO 0.34 -0.61 0.05 -0.51 0.00 0.00 0.00 175.76 175.04 3ndn s LEU 13 N -1.79 3.59 0.79 0.00 1.43 -1.26 -5.11 118.68 116.32 3ndn s LEU 13 Ca 0.49 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 3ndn s LEU 13 Cb -0.39 -2.25 0.07 0.00 0.03 0.00 0.00 46.19 43.64 3ndn s LEU 13 CO 0.52 0.12 1.18 -2.65 0.23 0.00 0.00 176.35 175.75 3ndn n PRO 14 N 0.11 0.29 -1.74 1.29 -0.02 -1.26 -4.93 135.00 128.75 3ndn n PRO 14 Ca -0.09 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 3ndn n PRO 14 Cb 0.53 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3ndn n PRO 14 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ndn n ASP 15 N -2.99 3.88 0.00 2.55 9.92 -1.26 -3.65 116.55 125.00 3ndn n ASP 15 Ca 0.14 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.53 3ndn n ASP 15 Cb 0.50 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 3ndn n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ndn n GLY 16 N 2.53 0.63 3.74 0.44 0.00 -1.26 -5.05 105.19 106.23 3ndn n GLY 16 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3ndn n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ndn s VAL 17 N -2.24 2.61 0.75 1.61 -7.23 -1.24 -5.02 120.40 109.64 3ndn s VAL 17 Ca 0.00 0.32 -0.06 0.00 -1.81 0.00 0.00 61.98 60.44 3ndn s VAL 17 Cb 0.00 -2.95 0.12 0.00 0.56 0.00 0.00 36.38 34.11 3ndn s VAL 17 CO 0.00 -0.14 1.05 -0.94 -0.31 0.00 0.00 175.10 174.76 3ndn s SER 18 N -2.00 4.29 0.30 4.85 1.04 -1.26 -4.90 113.70 116.03 3ndn s SER 18 Ca 0.74 0.04 0.02 0.00 0.48 0.00 0.00 55.95 57.23 3ndn s SER 18 Cb -0.28 -0.47 0.59 0.00 0.10 0.00 0.00 66.02 65.97 3ndn s SER 18 CO 0.40 -1.92 1.86 -0.61 0.98 0.00 0.00 173.24 173.96 3ndn h GLN 19 N -0.74 0.93 -0.33 4.02 4.15 -1.95 -2.45 115.11 118.74 3ndn h GLN 19 Ca -0.41 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 58.85 3ndn h GLN 19 Cb 1.28 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 3ndn h GLN 19 CO 0.46 0.61 -0.20 0.00 -1.93 0.00 0.00 178.83 177.78 3ndn h ALA 20 N 1.54 0.46 -0.67 3.38 0.00 -2.00 -2.42 119.26 119.55 3ndn h ALA 20 Ca 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ndn h ALA 20 Cb 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3ndn h ALA 20 CO -0.22 0.41 0.43 1.15 0.00 0.00 0.00 179.25 181.02 3ndn h THR 21 N 0.48 1.18 -0.38 0.00 2.02 -1.86 -2.75 112.91 111.60 3ndn h THR 21 Ca 0.07 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3ndn h THR 21 Cb 0.75 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3ndn h THR 21 CO 0.06 0.18 0.06 0.58 0.37 0.00 0.00 175.52 176.77 3ndn h VAL 22 N 0.92 1.19 -0.32 3.16 2.07 -1.42 -2.20 116.25 119.65 3ndn h VAL 22 Ca 0.25 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 3ndn h VAL 22 Cb -0.07 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3ndn h VAL 22 CO -0.05 0.25 -0.07 1.23 0.02 0.00 0.00 177.57 178.96 3ndn h GLY 23 N 0.82 0.56 0.90 2.17 0.00 -1.15 -0.26 103.07 106.11 3ndn h GLY 23 Ca 0.13 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.88 3ndn h GLY 23 CO 0.00 0.33 -0.92 -2.08 0.00 0.00 0.00 176.54 173.87 3ndn h VAL 24 N 0.49 1.41 0.00 4.60 2.07 -1.23 -3.18 116.25 120.41 3ndn h VAL 24 Ca 0.10 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3ndn h VAL 24 Cb 0.42 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3ndn h VAL 24 CO 0.02 0.70 0.00 -2.11 0.02 0.00 0.00 177.57 176.20 3ndn n ARG 25 N -4.03 0.46 -2.36 1.57 1.85 -0.86 -4.93 116.66 108.35 3ndn n ARG 25 Ca -0.13 -0.57 -0.39 0.00 -1.00 0.00 0.00 57.85 55.77 3ndn n ARG 25 Cb 0.85 -0.63 -0.03 0.00 -1.05 0.00 0.00 32.46 31.60 3ndn n ARG 25 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3ndn s GLY 26 N -0.18 2.92 0.00 2.89 0.00 -0.11 -4.09 107.32 108.74 3ndn s GLY 26 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.66 3ndn s GLY 26 CO 0.00 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.20 3ndn n GLY 27 N 0.75 0.74 3.76 0.20 0.00 -1.26 -4.36 105.19 105.02 3ndn n GLY 27 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ndn n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ndn s MET 28 N -0.26 4.31 -0.62 1.61 1.00 -1.26 -4.44 119.30 119.64 3ndn s MET 28 Ca 0.00 2.26 0.05 0.00 0.00 0.00 0.00 55.69 58.00 3ndn s MET 28 Cb 0.00 -3.08 0.19 0.00 0.00 0.00 0.00 34.83 31.94 3ndn s MET 28 CO 0.00 -0.28 0.51 1.28 0.00 0.00 0.00 175.02 176.54 3ndn n LEU 29 N 1.23 2.31 -4.78 -0.03 4.77 -1.26 -1.59 117.00 117.66 3ndn n LEU 29 Ca 0.02 -5.06 -0.37 0.00 -0.03 0.00 0.00 56.01 50.57 3ndn n LEU 29 Cb 0.41 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3ndn n LEU 29 CO 0.60 1.85 0.76 -0.13 -1.33 0.00 0.00 177.39 179.14 3ndn s ARG 30 N -1.34 4.07 0.89 3.23 0.52 -1.26 -4.91 118.95 120.16 3ndn s ARG 30 Ca 0.30 1.60 -0.10 0.00 -0.52 0.00 0.00 55.73 57.00 3ndn s ARG 30 Cb 0.02 -2.53 0.19 0.00 0.52 0.00 0.00 34.95 33.15 3ndn s ARG 30 CO -0.14 -0.24 1.22 -1.54 0.02 0.00 0.00 175.30 174.62 3ndn s SER 31 N -1.48 3.38 0.50 0.23 1.04 -1.26 -4.95 113.70 111.16 3ndn s SER 31 Ca 0.59 -0.10 0.34 0.00 0.48 0.00 0.00 55.95 57.26 3ndn s SER 31 Cb -0.24 0.01 1.75 0.00 0.10 0.00 0.00 66.02 67.65 3ndn s SER 31 CO 0.30 -2.53 2.03 1.23 0.98 0.00 0.00 173.24 175.25 3ndn h GLY 32 N -1.30 0.00 2.00 7.32 0.00 -2.02 -2.30 103.07 106.77 3ndn h GLY 32 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3ndn h GLY 32 CO 0.34 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.62 3ndn h PHE 33 N 0.00 0.00 -4.19 5.60 0.04 -2.03 -3.47 116.94 112.88 3ndn h PHE 33 Ca 0.00 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.42 3ndn h PHE 33 Cb 0.10 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.32 3ndn h PHE 33 CO 0.00 0.00 -0.53 0.39 -0.60 0.00 0.00 178.31 177.57 3ndn n GLU 34 N -2.68 -4.86 -1.69 1.51 1.02 -0.87 -4.97 120.64 108.10 3ndn n GLU 34 Ca 0.03 0.76 -0.43 0.00 -0.02 0.00 0.00 57.16 57.50 3ndn n GLU 34 Cb 0.39 -5.37 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 3ndn n GLU 34 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3ndn n GLU 35 N -3.75 2.17 -0.02 3.49 0.00 -1.26 -4.95 120.64 116.32 3ndn n GLU 35 Ca -0.07 0.77 -0.13 0.00 0.00 0.00 0.00 57.16 57.73 3ndn n GLU 35 Cb 0.59 -2.41 -0.10 0.00 0.00 0.00 0.00 31.44 29.53 3ndn n GLU 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3ndn h THR 36 N 2.87 1.38 -3.40 3.84 2.02 -2.01 -3.46 112.91 114.15 3ndn h THR 36 Ca -0.46 -1.15 -0.49 0.00 0.77 0.00 0.00 66.41 65.08 3ndn h THR 36 Cb 1.27 2.14 0.03 0.00 -1.74 0.00 0.00 68.15 69.85 3ndn h THR 36 CO 0.70 0.30 0.04 0.00 0.37 0.00 0.00 175.52 176.94 3ndn s ALA 37 N -4.27 3.47 0.02 6.16 0.00 -1.26 -5.03 121.76 120.84 3ndn s ALA 37 Ca -0.16 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3ndn s ALA 37 Cb 0.02 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3ndn s ALA 37 CO 0.68 -0.28 1.26 -1.21 0.00 0.00 0.00 175.76 176.22 3ndn s GLU 38 N -4.65 4.36 0.59 0.00 8.01 -1.26 -5.01 118.70 120.74 3ndn s GLU 38 Ca 0.46 1.81 -0.16 0.00 0.01 0.00 0.00 54.97 57.09 3ndn s GLU 38 Cb -0.10 -3.45 -0.04 0.00 -4.31 0.00 0.00 34.13 26.23 3ndn s GLU 38 CO 0.43 -0.40 1.05 0.00 0.01 0.00 0.00 175.26 176.35 3ndn s ALA 39 N 1.72 2.77 -0.33 5.21 0.00 -1.26 -5.05 121.76 124.81 3ndn s ALA 39 Ca 0.60 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.88 3ndn s ALA 39 Cb -0.29 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.65 3ndn s ALA 39 CO 0.26 -0.77 0.08 1.41 0.00 0.00 0.00 175.76 176.74 3ndn s MET 40 N -4.08 2.53 -1.09 0.00 1.75 -1.26 -4.71 119.30 112.43 3ndn s MET 40 Ca 0.63 -1.25 -0.11 0.00 -1.25 0.00 0.00 55.69 53.71 3ndn s MET 40 Cb -0.16 -3.39 0.24 0.00 2.84 0.00 0.00 34.83 34.37 3ndn s MET 40 CO 0.37 -0.68 1.14 0.71 -0.65 0.00 0.00 175.02 175.91 3ndn s TYR 41 N 1.34 4.00 -1.13 4.11 2.02 -1.26 -4.97 117.35 121.46 3ndn s TYR 41 Ca -0.02 -2.43 -0.21 0.00 -0.37 0.00 0.00 57.07 54.03 3ndn s TYR 41 Cb -0.20 -3.96 0.02 0.00 -0.40 0.00 0.00 41.96 37.42 3ndn s TYR 41 CO 0.01 -1.08 1.72 -0.51 -1.57 0.00 0.00 175.55 174.12 3ndn s LEU 42 N -0.30 3.48 -0.08 -1.29 1.43 -1.26 -4.88 118.68 115.79 3ndn s LEU 42 Ca 0.32 -1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 51.60 3ndn s LEU 42 Cb -0.08 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.59 3ndn s LEU 42 CO -0.06 -1.87 0.28 0.28 0.23 0.00 0.00 176.35 175.20 3ndn s THR 43 N 6.63 0.02 -0.07 5.49 -1.32 -1.26 -5.06 115.64 120.07 3ndn s THR 43 Ca 0.57 -0.17 0.14 0.00 -1.21 0.00 0.00 61.69 61.01 3ndn s THR 43 Cb 0.00 -0.45 -0.23 0.00 -1.51 0.00 0.00 72.50 70.31 3ndn s THR 43 CO 0.02 -0.09 0.61 -1.54 -2.21 0.00 0.00 174.62 171.41 3ndn n SER 44 N 2.43 0.78 -3.13 8.08 3.41 -1.26 -4.72 113.62 119.20 3ndn n SER 44 Ca -0.16 0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.64 3ndn n SER 44 Cb 0.57 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 3ndn n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ndn n GLY 45 N 1.56 3.45 3.13 5.00 0.00 -1.26 -1.45 105.19 115.62 3ndn n GLY 45 Ca -0.18 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 3ndn n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ndn s TYR 46 N -2.69 0.70 0.20 1.61 2.02 -1.26 -4.98 117.35 112.95 3ndn s TYR 46 Ca 0.16 -0.97 0.08 0.00 -0.37 0.00 0.00 57.07 55.97 3ndn s TYR 46 Cb 0.01 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 3ndn s TYR 46 CO 0.12 -0.26 -0.01 0.14 -1.57 0.00 0.00 175.55 173.97 3ndn s VAL 47 N -3.68 3.61 0.04 0.71 -7.23 -1.26 -5.04 120.40 107.54 3ndn s VAL 47 Ca 0.09 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.76 3ndn s VAL 47 Cb 0.06 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 3ndn s VAL 47 CO -0.07 -0.18 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.02 3ndn s TYR 48 N -1.88 1.85 0.39 2.82 2.02 -1.26 -5.04 117.35 116.25 3ndn s TYR 48 Ca 0.28 -0.37 0.25 0.00 -0.37 0.00 0.00 57.07 56.85 3ndn s TYR 48 Cb -0.08 -1.11 1.30 0.00 -0.40 0.00 0.00 41.96 41.66 3ndn s TYR 48 CO 0.19 0.08 2.02 0.78 -1.57 0.00 0.00 175.55 177.04 3ndn h GLY 49 N 4.96 0.00 -2.77 0.71 0.00 -2.01 -3.46 103.07 100.50 3ndn h GLY 49 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3ndn h GLY 49 CO 0.44 0.00 0.15 -1.35 0.00 0.00 0.00 176.54 175.78 3ndn s SER 50 N -6.30 -0.42 0.31 0.19 1.04 -1.26 -5.04 113.70 102.22 3ndn s SER 50 Ca -0.03 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.20 3ndn s SER 50 Cb 0.13 0.60 0.50 0.00 0.10 0.00 0.00 66.02 67.36 3ndn s SER 50 CO 0.61 -1.04 1.82 0.00 0.98 0.00 0.00 173.24 175.62 3ndn h ALA 51 N 2.08 1.26 -0.80 5.32 0.00 -2.00 -2.53 119.26 122.59 3ndn h ALA 51 Ca -0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3ndn h ALA 51 Cb 1.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3ndn h ALA 51 CO 0.36 0.49 0.45 0.00 0.00 0.00 0.00 179.25 180.55 3ndn h ALA 52 N 1.41 1.02 -0.68 0.00 0.00 -2.00 -1.99 119.26 117.03 3ndn h ALA 52 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ndn h ALA 52 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ndn h ALA 52 CO 0.02 0.52 0.41 0.28 0.00 0.00 0.00 179.25 180.48 3ndn h VAL 53 N 1.11 1.19 -0.40 0.00 2.07 -1.91 -1.85 116.25 116.46 3ndn h VAL 53 Ca 0.28 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.38 3ndn h VAL 53 Cb 0.02 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3ndn h VAL 53 CO -0.05 0.20 0.26 0.00 0.02 0.00 0.00 177.57 178.00 3ndn h ALA 54 N 1.22 0.50 -0.23 1.67 0.00 -1.14 -0.93 119.26 120.35 3ndn h ALA 54 Ca 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ndn h ALA 54 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ndn h ALA 54 CO -0.05 -0.05 0.09 1.49 0.00 0.00 0.00 179.25 180.73 3ndn h GLU 55 N 0.53 0.19 -0.38 0.00 4.81 -1.24 -2.38 114.58 116.11 3ndn h GLU 55 Ca 0.15 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3ndn h GLU 55 Cb -0.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3ndn h GLU 55 CO -0.04 0.13 0.07 0.87 -0.73 0.00 0.00 179.01 179.31 3ndn h LYS 56 N 0.20 0.57 -0.46 1.92 1.57 -1.18 -1.94 116.57 117.25 3ndn h LYS 56 Ca 0.10 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3ndn h LYS 56 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3ndn h LYS 56 CO -0.09 0.55 0.04 0.77 -0.57 0.00 0.00 179.45 180.15 3ndn h SER 57 N 0.56 0.75 0.34 0.86 0.02 -0.86 -1.78 113.55 113.45 3ndn h SER 57 Ca 0.13 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 3ndn h SER 57 Cb 0.25 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3ndn h SER 57 CO 0.00 0.85 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.99 3ndn h PHE 58 N 0.63 0.00 0.00 3.45 -1.00 -1.24 -3.00 116.94 115.79 3ndn h PHE 58 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3ndn h PHE 58 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 3ndn h PHE 58 CO 0.03 0.29 0.00 0.00 -1.61 0.00 0.00 178.31 177.02 3ndn h ALA 59 N 1.71 1.00 0.00 2.45 0.00 -1.09 -3.47 119.26 119.86 3ndn h ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ndn h ALA 59 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ndn h ALA 59 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3ndn n GLY 60 N 0.91 0.74 0.20 0.00 0.00 -0.82 -4.94 105.19 101.28 3ndn n GLY 60 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3ndn n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ndn h GLU 61 N 3.67 0.00 -6.34 1.61 5.08 -1.62 -3.43 114.58 113.55 3ndn h GLU 61 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 3ndn h GLU 61 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 3ndn h GLU 61 CO 0.00 0.33 -0.84 -0.51 -1.00 0.00 0.00 179.01 176.99 3ndn s LEU 62 N -7.22 2.31 -0.01 1.33 1.43 -1.18 -5.00 118.68 110.33 3ndn s LEU 62 Ca -0.01 -0.71 0.10 0.00 -1.03 0.00 0.00 54.13 52.49 3ndn s LEU 62 Cb 0.12 -0.96 0.31 0.00 0.03 0.00 0.00 46.19 45.68 3ndn s LEU 62 CO 0.67 0.09 1.23 -0.90 0.23 0.00 0.00 176.35 177.67 3ndn n ASP 63 N 1.03 1.97 -4.51 2.29 5.75 -1.26 -4.59 116.55 117.23 3ndn n ASP 63 Ca -0.19 -2.05 -0.52 0.00 -0.01 0.00 0.00 54.79 52.02 3ndn n ASP 63 Cb 0.53 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.30 3ndn n ASP 63 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 3ndn n HIS 64 N 0.47 0.63 -2.11 2.11 -0.00 -1.26 -4.79 115.22 110.27 3ndn n HIS 64 Ca 0.11 0.88 -0.37 0.00 0.46 0.00 0.00 57.72 58.81 3ndn n HIS 64 Cb 0.33 -2.14 0.01 0.00 -0.12 0.00 0.00 29.99 28.08 3ndn n HIS 64 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 3ndn s TYR 65 N -0.31 2.62 0.00 1.57 2.02 -1.26 -4.96 117.35 117.03 3ndn s TYR 65 Ca 0.77 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.97 3ndn s TYR 65 Cb -1.02 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 37.08 3ndn s TYR 65 CO 0.55 -1.94 0.00 0.28 -1.57 0.00 0.00 175.55 172.86 3ndn n VAL 66 N -0.98 0.00 -3.64 0.71 0.31 -1.26 -4.79 118.33 108.67 3ndn n VAL 66 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.35 3ndn n VAL 66 Cb 0.48 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.31 3ndn n VAL 66 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3ndn s TYR 67 N -1.94 -0.82 -0.65 3.52 6.14 -1.26 -4.17 117.35 118.17 3ndn s TYR 67 Ca 0.00 1.74 0.20 0.00 0.64 0.00 0.00 57.07 59.65 3ndn s TYR 67 Cb 0.00 0.46 0.84 0.00 0.42 0.00 0.00 41.96 43.68 3ndn s TYR 67 CO 0.00 -0.40 1.60 0.43 0.64 0.00 0.00 175.55 177.82 3ndn n SER 68 N 3.58 0.42 0.23 4.32 7.64 -0.53 -2.14 113.62 127.14 3ndn n SER 68 Ca -0.17 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.46 3ndn n SER 68 Cb 0.57 -0.70 0.78 0.00 -1.01 0.00 0.00 64.21 63.85 3ndn n SER 68 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3ndn h ARG 69 N 0.00 0.00 0.00 1.43 2.43 -1.96 -3.26 114.38 113.03 3ndn h ARG 69 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ndn h ARG 69 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ndn h ARG 69 CO 0.00 0.00 0.00 2.48 -1.51 0.00 0.00 179.97 180.94 3ndn n TYR 70 N -4.13 0.00 -3.62 2.20 4.11 -1.01 -4.71 117.16 110.00 3ndn n TYR 70 Ca -0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 57.90 57.83 3ndn n TYR 70 Cb 0.20 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.47 3ndn n TYR 70 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 3ndn s GLY 71 N -0.14 0.28 -0.15 -7.48 0.00 -0.91 -5.03 107.32 93.89 3ndn s GLY 71 Ca 0.00 3.47 -0.14 0.00 0.00 0.00 0.00 44.72 48.05 3ndn s GLY 71 CO 0.00 2.72 0.40 0.21 0.00 0.00 0.00 173.10 176.43 3ndn s ASN 72 N 1.28 -0.42 0.42 1.64 3.84 -1.26 -3.41 114.94 117.03 3ndn s ASN 72 Ca -0.08 0.80 0.10 0.00 0.21 0.00 0.00 52.86 53.89 3ndn s ASN 72 Cb -0.03 0.81 0.90 0.00 -0.55 0.00 0.00 41.25 42.38 3ndn s ASN 72 CO -0.13 -0.14 2.00 1.55 -2.79 0.00 0.00 177.10 177.59 3ndn h PRO 73 N 5.58 0.27 -0.08 0.43 0.13 -1.99 0.36 132.00 136.71 3ndn h PRO 73 Ca -0.27 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.61 3ndn h PRO 73 Cb 1.18 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3ndn h PRO 73 CO 0.26 0.30 -0.76 1.15 -0.23 0.00 0.00 178.00 178.71 3ndn h THR 74 N 0.27 1.32 -0.87 1.56 2.02 -1.90 -3.09 112.91 112.22 3ndn h THR 74 Ca 0.06 -2.03 0.02 0.00 0.77 0.00 0.00 66.41 65.23 3ndn h THR 74 Cb 0.18 2.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 3ndn h THR 74 CO 0.00 0.62 0.57 0.58 0.37 0.00 0.00 175.52 177.67 3ndn h VAL 75 N 0.31 1.19 -0.74 3.16 2.07 -1.74 -2.31 116.25 118.18 3ndn h VAL 75 Ca -0.07 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.16 3ndn h VAL 75 Cb 1.41 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3ndn h VAL 75 CO 0.15 0.21 0.49 0.28 0.02 0.00 0.00 177.57 178.72 3ndn h SER 76 N 1.15 0.54 -0.10 0.57 0.02 -0.92 -1.80 113.55 113.02 3ndn h SER 76 Ca 0.33 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.28 3ndn h SER 76 Cb -0.08 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3ndn h SER 76 CO -0.09 0.32 -0.02 0.58 -1.14 0.00 0.00 176.83 176.48 3ndn h VAL 77 N 0.60 1.29 -0.52 2.27 2.07 -1.34 -2.22 116.25 118.40 3ndn h VAL 77 Ca 0.35 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3ndn h VAL 77 Cb 0.54 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3ndn h VAL 77 CO -0.12 0.26 0.14 0.15 0.02 0.00 0.00 177.57 178.02 3ndn h PHE 78 N -0.14 0.24 -0.14 1.57 3.57 -1.36 -1.87 116.94 118.81 3ndn h PHE 78 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3ndn h PHE 78 Cb 0.42 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3ndn h PHE 78 CO 0.05 0.04 0.04 0.93 -2.23 0.00 0.00 178.31 177.14 3ndn h GLU 79 N 0.30 0.22 -0.58 1.11 5.08 -1.30 -2.45 114.58 116.96 3ndn h GLU 79 Ca 0.26 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3ndn h GLU 79 Cb 0.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3ndn h GLU 79 CO -0.31 0.36 -0.04 1.49 -1.00 0.00 0.00 179.01 179.52 3ndn h GLU 80 N 0.04 1.05 -0.29 2.33 4.57 -1.35 -1.38 114.58 119.55 3ndn h GLU 80 Ca 0.04 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3ndn h GLU 80 Cb 0.24 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3ndn h GLU 80 CO -0.00 1.05 0.17 -0.09 -1.18 0.00 0.00 179.01 178.95 3ndn h ARG 81 N 0.95 0.40 -0.56 1.92 2.43 -1.31 -1.69 114.38 116.52 3ndn h ARG 81 Ca 0.16 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3ndn h ARG 81 Cb 0.60 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3ndn h ARG 81 CO 0.04 0.34 0.00 1.25 -1.51 0.00 0.00 179.97 180.09 3ndn h LEU 82 N 0.36 0.97 -0.85 3.80 5.85 -1.38 -2.08 115.31 121.99 3ndn h LEU 82 Ca 0.10 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.61 3ndn h LEU 82 Cb 0.05 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.74 3ndn h LEU 82 CO -0.02 1.04 0.50 -0.09 -0.34 0.00 0.00 178.44 179.53 3ndn h ARG 83 N 0.88 0.81 -0.08 1.25 2.43 -1.15 -1.18 114.38 117.34 3ndn h ARG 83 Ca 0.16 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.06 3ndn h ARG 83 Cb 0.54 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3ndn h ARG 83 CO 0.03 0.53 -0.84 -0.07 -1.51 0.00 0.00 179.97 178.11 3ndn h LEU 84 N 0.83 0.73 -0.83 3.80 3.38 -1.12 -1.00 115.31 121.10 3ndn h LEU 84 Ca 0.41 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3ndn h LEU 84 Cb 0.36 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3ndn h LEU 84 CO -0.24 1.30 0.37 0.40 0.09 0.00 0.00 178.44 180.36 3ndn h ILE 85 N 0.38 1.26 0.03 1.22 2.04 -1.14 -3.15 117.51 118.15 3ndn h ILE 85 Ca -0.06 -0.78 -0.22 0.00 1.00 0.00 0.00 64.86 64.80 3ndn h ILE 85 Cb 1.46 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3ndn h ILE 85 CO 0.16 0.33 -0.97 -0.08 0.00 0.00 0.00 178.15 177.58 3ndn h GLU 86 N 1.20 0.26 -2.62 2.37 4.57 -1.17 -3.49 114.58 115.70 3ndn h GLU 86 Ca 0.28 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 3ndn h GLU 86 Cb 0.16 0.10 0.04 0.00 -0.16 0.00 0.00 28.75 28.89 3ndn h GLU 86 CO -0.03 1.05 -0.16 0.41 -1.18 0.00 0.00 179.01 179.09 3ndn n GLY 87 N 1.05 0.35 3.85 1.92 0.00 -0.43 -4.95 105.19 106.98 3ndn n GLY 87 Ca -0.05 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 3ndn n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndn s ALA 88 N -3.08 3.68 0.29 4.61 0.00 -0.90 -4.98 121.76 121.39 3ndn s ALA 88 Ca 0.03 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.75 3ndn s ALA 88 Cb -0.01 -1.46 0.44 0.00 0.00 0.00 0.00 23.12 22.09 3ndn s ALA 88 CO 0.16 0.40 1.78 -1.35 0.00 0.00 0.00 175.76 176.75 3ndn h PRO 89 N 1.92 0.60 -2.75 0.00 0.11 -1.90 -3.46 132.00 126.53 3ndn h PRO 89 Ca -0.49 -0.17 0.05 0.00 0.11 0.00 0.00 66.00 65.51 3ndn h PRO 89 Cb 1.21 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 3ndn h PRO 89 CO 0.63 0.69 0.32 0.00 -0.21 0.00 0.00 178.00 179.43 3ndn s ALA 90 N -4.80 -1.58 -0.00 -0.75 0.00 -0.61 -4.74 121.76 109.28 3ndn s ALA 90 Ca -0.08 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.09 3ndn s ALA 90 Cb 0.15 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.04 3ndn s ALA 90 CO 0.79 -0.84 0.42 0.00 0.00 0.00 0.00 175.76 176.13 3ndn s ALA 91 N -3.58 -1.06 -0.07 0.00 0.00 -1.26 -1.82 121.76 113.97 3ndn s ALA 91 Ca 0.05 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 3ndn s ALA 91 Cb -0.02 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.28 3ndn s ALA 91 CO -0.06 -0.34 0.13 0.12 0.00 0.00 0.00 175.76 175.61 3ndn s PHE 92 N -1.65 -0.11 0.36 0.00 5.99 -0.14 -4.97 117.98 117.45 3ndn s PHE 92 Ca -0.10 0.49 -0.24 0.00 0.00 0.00 0.00 56.93 57.07 3ndn s PHE 92 Cb -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 43.02 42.61 3ndn s PHE 92 CO 0.03 -0.23 0.95 0.00 -0.00 0.00 0.00 175.22 175.98 3ndn s ALA 93 N 2.04 3.14 0.24 11.12 0.00 -1.26 -0.94 121.76 136.10 3ndn s ALA 93 Ca 0.01 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3ndn s ALA 93 Cb -0.12 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3ndn s ALA 93 CO -0.05 0.15 0.03 0.95 0.00 0.00 0.00 175.76 176.84 3ndn s THR 94 N -1.83 0.88 0.45 0.00 -4.23 -0.16 -4.45 115.64 106.29 3ndn s THR 94 Ca 0.55 -2.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.23 3ndn s THR 94 Cb -0.15 -2.46 0.22 0.00 1.34 0.00 0.00 72.50 71.45 3ndn s THR 94 CO 0.20 -0.21 2.03 0.00 -0.54 0.00 0.00 174.62 176.10 3ndn h ALA 95 N 2.43 1.60 -2.93 3.99 0.00 -1.31 -1.51 119.26 121.52 3ndn h ALA 95 Ca -0.38 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3ndn h ALA 95 Cb 1.23 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3ndn h ALA 95 CO 0.64 0.19 0.10 -1.54 0.00 0.00 0.00 179.25 178.64 3ndn s SER 96 N -6.75 -0.23 0.22 0.00 1.04 -1.26 -3.03 113.70 103.68 3ndn s SER 96 Ca -0.04 -0.63 -0.08 0.00 0.48 0.00 0.00 55.95 55.68 3ndn s SER 96 Cb 0.15 0.66 0.27 0.00 0.10 0.00 0.00 66.02 67.20 3ndn s SER 96 CO 0.66 -1.22 1.82 1.23 0.98 0.00 0.00 173.24 176.72 3ndn h GLY 97 N 2.10 1.09 1.74 7.32 0.00 -1.67 -2.29 103.07 111.36 3ndn h GLY 97 Ca -0.23 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 3ndn h GLY 97 CO 0.30 0.20 -0.21 -0.33 0.00 0.00 0.00 176.54 176.49 3ndn h MET 98 N 0.79 0.31 -0.48 4.80 2.86 -1.90 -1.69 114.93 119.61 3ndn h MET 98 Ca 0.32 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3ndn h MET 98 Cb 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3ndn h MET 98 CO -0.17 0.52 0.07 0.00 1.06 0.00 0.00 176.91 178.39 3ndn h ALA 99 N 1.50 1.22 -0.31 6.32 0.00 -1.87 -1.15 119.26 124.97 3ndn h ALA 99 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ndn h ALA 99 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ndn h ALA 99 CO 0.04 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.89 3ndn h ALA 100 N 1.35 0.41 0.71 0.00 0.00 -0.86 -2.06 119.26 118.81 3ndn h ALA 100 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ndn h ALA 100 Cb 0.34 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ndn h ALA 100 CO 0.01 0.07 -0.34 0.28 0.00 0.00 0.00 179.25 179.27 3ndn h VAL 101 N 0.34 0.29 -0.21 0.00 2.07 -1.15 -1.84 116.25 115.74 3ndn h VAL 101 Ca 0.10 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3ndn h VAL 101 Cb 0.29 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3ndn h VAL 101 CO 0.00 0.00 0.02 0.15 0.02 0.00 0.00 177.57 177.76 3ndn h PHE 102 N -0.98 0.02 -0.51 1.57 3.57 -1.29 -2.46 116.94 116.86 3ndn h PHE 102 Ca -0.10 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.30 3ndn h PHE 102 Cb 0.73 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 3ndn h PHE 102 CO -0.02 -0.01 -0.16 1.15 -2.23 0.00 0.00 178.31 177.04 3ndn h THR 103 N 0.09 1.27 -0.56 4.41 2.02 -1.42 0.22 112.91 118.94 3ndn h THR 103 Ca 0.10 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 65.98 3ndn h THR 103 Cb 0.11 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3ndn h THR 103 CO -0.15 0.46 0.36 0.77 0.37 0.00 0.00 175.52 177.32 3ndn h SER 104 N 0.88 0.60 -0.11 4.18 4.64 -1.30 -0.64 113.55 121.79 3ndn h SER 104 Ca 0.13 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 3ndn h SER 104 Cb 0.73 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3ndn h SER 104 CO 0.06 0.43 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.15 3ndn h LEU 105 N 0.72 0.38 -1.77 5.97 3.38 -1.29 -3.14 115.31 119.56 3ndn h LEU 105 Ca 0.22 -0.56 0.17 0.00 0.09 0.00 0.00 57.88 57.80 3ndn h LEU 105 Cb -0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3ndn h LEU 105 CO -0.07 0.87 0.49 1.23 0.09 0.00 0.00 178.44 181.05 3ndn h GLY 106 N -0.09 0.39 2.00 0.83 0.00 -0.49 -0.24 103.07 105.47 3ndn h GLY 106 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3ndn h GLY 106 CO 0.05 0.02 -0.16 0.00 0.00 0.00 0.00 176.54 176.45 3ndn h ALA 107 N 1.66 1.04 0.00 3.60 0.00 -1.06 -3.10 119.26 121.40 3ndn h ALA 107 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ndn h ALA 107 Cb 1.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3ndn h ALA 107 CO -0.07 0.20 -1.65 1.28 0.00 0.00 0.00 179.25 179.01 3ndn n LEU 108 N -3.34 0.29 -3.76 0.00 4.77 -0.21 -4.87 117.00 109.88 3ndn n LEU 108 Ca 0.00 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 3ndn n LEU 108 Cb 0.38 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 3ndn n LEU 108 CO 0.31 0.01 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.25 3ndn s LEU 109 N -4.40 1.48 0.58 2.23 1.43 -0.57 -4.86 118.68 114.56 3ndn s LEU 109 Ca -0.04 -0.96 0.09 0.00 -1.03 0.00 0.00 54.13 52.19 3ndn s LEU 109 Cb 0.14 -0.71 0.08 0.00 0.03 0.00 0.00 46.19 45.73 3ndn s LEU 109 CO 0.88 -0.31 0.69 -0.83 0.23 0.00 0.00 176.35 177.01 3ndn s GLY 110 N 1.77 1.91 0.29 -3.19 0.00 -1.26 -4.69 107.32 102.14 3ndn s GLY 110 Ca -0.01 -1.90 -0.30 0.00 0.00 0.00 0.00 44.72 42.51 3ndn s GLY 110 CO -0.10 -1.77 1.52 0.00 0.00 0.00 0.00 173.10 172.75 3ndn n ALA 111 N -2.13 2.08 0.00 3.20 0.00 -1.25 -1.79 120.51 120.62 3ndn n ALA 111 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3ndn n ALA 111 Cb 0.62 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3ndn n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndn n GLY 112 N 1.89 1.87 3.92 0.00 0.00 -0.26 -4.96 105.19 107.64 3ndn n GLY 112 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3ndn n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ndn s ASP 113 N -2.01 5.63 -0.06 1.61 1.01 -0.74 -4.85 116.67 117.26 3ndn s ASP 113 Ca 0.00 0.69 0.04 0.00 0.71 0.00 0.00 52.55 53.99 3ndn s ASP 113 Cb 0.00 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.22 3ndn s ASP 113 CO 0.00 -1.03 -0.18 -0.60 0.21 0.00 0.00 175.17 173.58 3ndn s ARG 114 N -4.95 2.04 -0.10 8.23 3.52 -1.26 -0.91 118.95 125.51 3ndn s ARG 114 Ca 0.53 -0.63 0.04 0.00 -0.13 0.00 0.00 55.73 55.54 3ndn s ARG 114 Cb -0.10 -1.69 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 3ndn s ARG 114 CO 0.45 0.19 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.73 3ndn s LEU 115 N 0.22 2.06 -0.18 -0.88 2.96 0.13 -1.46 118.68 121.53 3ndn s LEU 115 Ca -0.09 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 3ndn s LEU 115 Cb -0.14 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 3ndn s LEU 115 CO 0.04 0.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.47 3ndn s VAL 116 N 0.40 3.60 0.07 1.68 1.01 -0.60 -1.62 120.40 124.95 3ndn s VAL 116 Ca -0.18 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3ndn s VAL 116 Cb -0.18 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3ndn s VAL 116 CO 0.08 0.47 -0.07 0.00 0.00 0.00 0.00 175.10 175.57 3ndn s ALA 117 N 0.77 0.81 0.52 5.51 0.00 -0.75 -1.96 121.76 126.66 3ndn s ALA 117 Ca -0.02 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 3ndn s ALA 117 Cb -0.15 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 3ndn s ALA 117 CO 0.02 -0.13 1.13 0.00 0.00 0.00 0.00 175.76 176.78 3ndn s ALA 118 N -2.57 2.78 0.05 0.00 0.00 -0.81 -1.80 121.76 119.41 3ndn s ALA 118 Ca 0.02 0.83 0.09 0.00 0.00 0.00 0.00 51.96 52.90 3ndn s ALA 118 Cb -0.02 -3.36 -0.18 0.00 0.00 0.00 0.00 23.12 19.56 3ndn s ALA 118 CO -0.02 -0.69 1.15 -0.09 0.00 0.00 0.00 175.76 176.10 3ndn h ARG 119 N 1.46 0.00 -5.23 0.00 2.43 -1.64 -3.42 114.38 107.98 3ndn h ARG 119 Ca -0.50 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 57.97 3ndn h ARG 119 Cb 1.25 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.66 3ndn h ARG 119 CO 0.58 0.82 1.60 -1.12 -1.51 0.00 0.00 179.97 180.34 3ndn s SER 120 N -6.52 6.92 0.23 -3.80 0.01 -1.26 -4.98 113.70 104.30 3ndn s SER 120 Ca -0.00 -2.63 0.10 0.00 1.31 0.00 0.00 55.95 54.73 3ndn s SER 120 Cb 0.09 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 3ndn s SER 120 CO 0.81 -0.96 -0.19 -0.76 0.41 0.00 0.00 173.24 172.55 3ndn s LEU 121 N 2.78 2.53 0.15 2.44 1.43 -1.26 -4.72 118.68 122.03 3ndn s LEU 121 Ca 0.46 -0.98 -0.34 0.00 -1.03 0.00 0.00 54.13 52.25 3ndn s LEU 121 Cb -0.01 -0.96 -0.16 0.00 0.03 0.00 0.00 46.19 45.09 3ndn s LEU 121 CO 0.01 -0.01 1.12 0.33 0.23 0.00 0.00 176.35 178.03 3ndn n PHE 122 N -0.29 1.10 -0.38 0.29 7.35 -1.26 -4.71 117.46 119.56 3ndn n PHE 122 Ca -0.08 0.74 -0.09 0.00 -0.76 0.00 0.00 57.45 57.26 3ndn n PHE 122 Cb 0.59 -2.24 -0.08 0.00 0.35 0.00 0.00 39.48 38.11 3ndn n PHE 122 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ndn n GLY 123 N 1.99 -2.34 0.28 7.13 0.00 -1.26 -0.83 105.19 110.16 3ndn n GLY 123 Ca 0.16 1.09 0.04 0.00 0.00 0.00 0.00 46.02 47.31 3ndn n GLY 123 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ndn h SER 124 N 0.00 0.35 -0.36 1.61 0.02 -2.00 -1.94 113.55 111.24 3ndn h SER 124 Ca 0.17 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 3ndn h SER 124 Cb 0.40 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3ndn h SER 124 CO -0.87 0.31 -0.16 0.00 -1.14 0.00 0.00 176.83 174.97 3ndn h PHE 126 N 0.73 1.02 -0.64 0.00 3.57 -0.62 -2.21 116.94 118.80 3ndn h PHE 126 Ca 0.11 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3ndn h PHE 126 Cb 0.67 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3ndn h PHE 126 CO 0.04 0.88 0.09 0.28 -2.23 0.00 0.00 178.31 177.37 3ndn h VAL 127 N 0.90 1.26 -0.36 1.41 2.07 -1.15 -0.15 116.25 120.23 3ndn h VAL 127 Ca 0.18 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3ndn h VAL 127 Cb 0.42 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3ndn h VAL 127 CO 0.01 0.39 0.23 0.58 0.02 0.00 0.00 177.57 178.80 3ndn h VAL 128 N 0.99 1.10 -0.08 2.57 2.07 -1.24 -1.20 116.25 120.46 3ndn h VAL 128 Ca 0.19 -0.21 -0.22 0.00 0.82 0.00 0.00 66.70 67.29 3ndn h VAL 128 Cb 0.45 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3ndn h VAL 128 CO 0.01 0.10 -0.82 0.00 0.02 0.00 0.00 177.57 176.88 3ndn n SER 130 N -3.86 0.60 0.01 0.00 3.41 -0.08 -4.52 113.62 109.18 3ndn n SER 130 Ca -0.07 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3ndn n SER 130 Cb 0.76 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 3ndn n SER 130 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ndn n GLU 131 N -2.91 0.00 0.06 4.33 1.02 -0.51 -4.64 120.64 117.98 3ndn n GLU 131 Ca -0.20 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 3ndn n GLU 131 Cb 1.03 -0.49 -0.09 0.00 -0.02 0.00 0.00 31.44 31.87 3ndn n GLU 131 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3ndn h ILE 132 N 0.00 1.07 -0.44 -3.67 2.04 -1.45 -2.19 117.51 112.87 3ndn h ILE 132 Ca 0.00 -0.80 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 3ndn h ILE 132 Cb 0.77 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3ndn h ILE 132 CO 0.00 0.19 -0.28 -0.07 0.00 0.00 0.00 178.15 177.99 3ndn h LEU 133 N -0.54 0.98 -1.86 1.44 3.38 -1.62 -3.05 115.31 114.05 3ndn h LEU 133 Ca -0.02 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3ndn h LEU 133 Cb 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ndn h LEU 133 CO 0.03 1.18 -0.12 -0.65 0.09 0.00 0.00 178.44 178.96 3ndn h PRO 134 N 0.80 0.00 0.00 1.13 0.11 -1.71 -1.40 132.00 130.93 3ndn h PRO 134 Ca 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3ndn h PRO 134 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3ndn h PRO 134 CO 0.08 0.12 -0.07 -0.09 -0.21 0.00 0.00 178.00 177.83 3ndn h ARG 135 N 0.00 0.00 -0.61 1.05 2.43 -1.28 -1.63 114.38 114.34 3ndn h ARG 135 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3ndn h ARG 135 Cb 0.25 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 3ndn h ARG 135 CO 0.02 0.07 0.11 0.91 -1.51 0.00 0.00 179.97 179.57 3ndn n TRP 136 N -3.68 2.11 -0.61 2.20 8.01 -0.57 -4.95 117.44 119.95 3ndn n TRP 136 Ca -0.02 -0.96 0.00 0.00 -1.31 0.00 0.00 57.50 55.20 3ndn n TRP 136 Cb 0.18 -0.57 0.00 0.00 -2.01 0.00 0.00 31.31 28.91 3ndn n TRP 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ndn n GLY 137 N 0.14 0.69 3.80 6.99 0.00 -0.61 -3.85 105.19 112.34 3ndn n GLY 137 Ca 0.33 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 3ndn n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ndn s VAL 138 N -2.00 4.34 -0.34 1.61 1.01 -0.95 -1.10 120.40 122.98 3ndn s VAL 138 Ca 0.00 1.62 -0.12 0.00 0.00 0.00 0.00 61.98 63.48 3ndn s VAL 138 Cb 0.00 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3ndn s VAL 138 CO 0.00 0.10 0.22 0.00 0.00 0.00 0.00 175.10 175.42 3ndn s GLN 139 N -2.17 3.37 -0.15 2.72 0.00 -0.09 -4.09 119.66 119.25 3ndn s GLN 139 Ca 0.49 -0.72 -0.03 0.00 -0.00 0.00 0.00 55.36 55.11 3ndn s GLN 139 Cb -0.17 -3.74 -0.02 0.00 0.00 0.00 0.00 33.01 29.08 3ndn s GLN 139 CO 0.22 -0.47 -0.06 0.99 0.00 0.00 0.00 175.29 175.96 3ndn s THR 140 N 1.68 3.64 -0.10 3.63 2.01 -1.26 -0.69 115.64 124.54 3ndn s THR 140 Ca 0.05 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.64 3ndn s THR 140 Cb -0.17 -2.58 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 3ndn s THR 140 CO 0.09 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.61 3ndn s VAL 141 N 0.39 2.26 -0.03 3.82 1.01 -0.64 -5.01 120.40 122.21 3ndn s VAL 141 Ca -0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3ndn s VAL 141 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3ndn s VAL 141 CO 0.04 0.55 0.16 -0.36 0.00 0.00 0.00 175.10 175.49 3ndn s PHE 142 N 0.32 3.52 0.13 5.22 0.08 -1.26 -1.80 117.98 124.19 3ndn s PHE 142 Ca -0.17 0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.29 3ndn s PHE 142 Cb -0.17 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3ndn s PHE 142 CO 0.08 0.65 -0.10 0.14 -0.10 0.00 0.00 175.22 175.89 3ndn s VAL 143 N -1.26 1.11 -0.23 -0.44 -7.23 -0.74 -4.95 120.40 106.65 3ndn s VAL 143 Ca 0.25 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 3ndn s VAL 143 Cb -0.12 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 3ndn s VAL 143 CO 0.16 -0.71 1.34 -1.81 -0.31 0.00 0.00 175.10 173.77 3ndn s ASP 144 N -3.02 6.74 0.55 4.85 1.01 -1.26 -1.50 116.67 124.04 3ndn s ASP 144 Ca 0.14 1.49 0.23 0.00 0.71 0.00 0.00 52.55 55.12 3ndn s ASP 144 Cb 0.02 -2.54 1.45 0.00 1.01 0.00 0.00 42.92 42.85 3ndn s ASP 144 CO 0.00 -0.97 2.10 1.23 0.21 0.00 0.00 175.17 177.74 3ndn h GLY 145 N 10.50 0.00 -1.61 0.21 0.00 -1.93 -2.03 103.07 108.22 3ndn h GLY 145 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ndn h GLY 145 CO 1.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.63 3ndn n ASP 146 N -4.26 2.32 -3.89 0.19 5.75 -1.26 -4.59 116.55 110.81 3ndn n ASP 146 Ca 0.02 -2.20 -0.30 0.00 -0.01 0.00 0.00 54.79 52.30 3ndn n ASP 146 Cb 0.29 -0.40 -0.15 0.00 -1.03 0.00 0.00 41.12 39.84 3ndn n ASP 146 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ndn s ASP 147 N -0.66 4.43 0.45 -1.12 -1.08 -0.77 -4.99 116.67 112.94 3ndn s ASP 147 Ca 0.22 -1.98 0.20 0.00 -0.52 0.00 0.00 52.55 50.46 3ndn s ASP 147 Cb 0.14 -1.30 1.09 0.00 -1.46 0.00 0.00 42.92 41.39 3ndn s ASP 147 CO 0.10 -0.39 1.96 -0.07 0.52 0.00 0.00 175.17 177.30 3ndn h LEU 148 N 7.75 0.00 -0.94 -1.34 3.38 -1.86 -1.98 115.31 120.32 3ndn h LEU 148 Ca -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3ndn h LEU 148 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3ndn h LEU 148 CO 0.50 0.22 -0.53 0.77 0.09 0.00 0.00 178.44 179.50 3ndn h SER 149 N 0.00 0.00 -0.27 -0.43 4.64 -1.96 -1.72 113.55 113.81 3ndn h SER 149 Ca -0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3ndn h SER 149 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3ndn h SER 149 CO 0.03 0.53 -0.57 1.56 -0.87 0.00 0.00 176.83 177.50 3ndn h GLN 150 N 0.00 0.87 -0.47 4.77 4.20 -1.71 -2.52 115.11 120.25 3ndn h GLN 150 Ca -0.01 -0.57 0.02 0.00 0.06 0.00 0.00 58.65 58.15 3ndn h GLN 150 Cb 0.94 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 3ndn h GLN 150 CO 0.07 1.20 0.29 -1.49 -0.67 0.00 0.00 178.83 178.23 3ndn h TRP 151 N 0.65 0.54 -0.68 2.96 4.06 -1.37 -2.36 115.95 119.74 3ndn h TRP 151 Ca 0.01 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 3ndn h TRP 151 Cb 1.18 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 29.13 3ndn h TRP 151 CO 0.08 0.32 0.32 1.49 -3.56 0.00 0.00 178.44 177.09 3ndn h GLU 152 N 0.58 0.99 -0.38 0.49 4.81 -1.30 -1.65 114.58 118.11 3ndn h GLU 152 Ca 0.18 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3ndn h GLU 152 Cb -0.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3ndn h GLU 152 CO -0.07 0.79 0.12 -0.09 -0.73 0.00 0.00 179.01 179.03 3ndn h ARG 153 N 0.95 0.60 0.00 1.92 2.43 -1.39 -3.00 114.38 115.89 3ndn h ARG 153 Ca 0.23 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3ndn h ARG 153 Cb 0.13 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3ndn h ARG 153 CO -0.03 0.60 -0.32 0.00 -1.51 0.00 0.00 179.97 178.71 3ndn h ALA 154 N 0.97 1.25 -0.61 2.80 0.00 -1.29 -3.16 119.26 119.22 3ndn h ALA 154 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ndn h ALA 154 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ndn h ALA 154 CO -0.00 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.93 3ndn n LEU 155 N -3.84 4.39 -0.83 0.00 4.77 -0.63 -4.26 117.00 116.59 3ndn n LEU 155 Ca -0.01 -2.21 0.09 0.00 -0.03 0.00 0.00 56.01 53.84 3ndn n LEU 155 Cb 0.40 -0.55 0.24 0.00 -2.33 0.00 0.00 43.42 41.18 3ndn n LEU 155 CO 0.36 0.76 0.70 -1.54 -1.33 0.00 0.00 177.39 176.34 3ndn n SER 156 N 1.06 2.43 -4.44 -1.43 3.41 -1.14 -4.56 113.62 108.95 3ndn n SER 156 Ca 0.24 -1.94 -0.25 0.00 -0.26 0.00 0.00 58.87 56.66 3ndn n SER 156 Cb 0.82 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 3ndn n SER 156 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ndn s VAL 157 N -1.48 2.37 0.31 -3.33 -7.23 -1.26 -5.11 120.40 104.67 3ndn s VAL 157 Ca 0.32 -2.20 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 3ndn s VAL 157 Cb 0.17 -2.19 -0.12 0.00 0.56 0.00 0.00 36.38 34.80 3ndn s VAL 157 CO 0.23 -0.27 1.53 -2.65 -0.31 0.00 0.00 175.10 173.64 3ndn n PRO 158 N -0.15 2.56 -3.97 4.82 -0.02 -1.26 -4.93 135.00 132.05 3ndn n PRO 158 Ca -0.09 0.91 -0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3ndn n PRO 158 Cb 0.58 -2.65 -0.14 0.00 -0.02 0.00 0.00 33.50 31.27 3ndn n PRO 158 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ndn s THR 159 N -0.31 0.16 -0.14 3.45 2.01 -0.93 -4.87 115.64 115.00 3ndn s THR 159 Ca 0.62 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.46 3ndn s THR 159 Cb -0.52 -0.17 -0.23 0.00 0.01 0.00 0.00 72.50 71.59 3ndn s THR 159 CO 0.53 -0.04 0.27 0.00 -0.69 0.00 0.00 174.62 174.68 3ndn n GLN 160 N 2.80 0.68 -3.82 4.92 3.00 -0.54 -2.75 117.38 121.67 3ndn n GLN 160 Ca -0.14 0.19 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 3ndn n GLN 160 Cb 0.59 -1.65 -0.09 0.00 0.00 0.00 0.00 30.24 29.08 3ndn n GLN 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ndn s ALA 161 N -2.55 -0.49 -0.02 -1.58 0.00 -1.08 -1.96 121.76 114.08 3ndn s ALA 161 Ca -0.17 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3ndn s ALA 161 Cb 0.07 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3ndn s ALA 161 CO 0.76 -0.29 -0.14 0.08 0.00 0.00 0.00 175.76 176.17 3ndn s VAL 162 N -1.86 1.15 -0.02 0.00 1.01 -0.68 -1.56 120.40 118.43 3ndn s VAL 162 Ca -0.10 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3ndn s VAL 162 Cb -0.04 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3ndn s VAL 162 CO 0.00 0.33 -0.07 0.12 0.00 0.00 0.00 175.10 175.48 3ndn s PHE 163 N -0.10 0.74 0.18 5.22 5.36 -0.83 -1.12 117.98 127.44 3ndn s PHE 163 Ca 0.01 -0.17 -0.23 0.00 -0.96 0.00 0.00 56.93 55.59 3ndn s PHE 163 Cb -0.08 -0.53 0.06 0.00 -0.34 0.00 0.00 43.02 42.12 3ndn s PHE 163 CO 0.00 -0.07 0.62 -0.59 -1.46 0.00 0.00 175.22 173.73 3ndn s PHE 164 N 0.15 -0.47 -0.01 10.12 -0.12 -1.13 -1.93 117.98 124.60 3ndn s PHE 164 Ca -0.02 0.21 0.05 0.00 -0.05 0.00 0.00 56.93 57.12 3ndn s PHE 164 Cb -0.07 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 3ndn s PHE 164 CO 0.00 -0.93 -0.16 -1.21 -0.05 0.00 0.00 175.22 172.87 3ndn s GLU 165 N -3.78 2.33 -0.16 1.99 2.02 -1.26 -1.74 118.70 118.09 3ndn s GLU 165 Ca 0.03 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.12 3ndn s GLU 165 Cb -0.02 -2.29 0.06 0.00 0.10 0.00 0.00 34.13 31.97 3ndn s GLU 165 CO -0.09 0.59 0.39 -0.08 0.02 0.00 0.00 175.26 176.09 3ndn s THR 166 N -0.80 -0.03 0.79 3.63 -1.32 -1.26 -4.30 115.64 112.35 3ndn s THR 166 Ca 0.13 0.10 -0.12 0.00 -1.21 0.00 0.00 61.69 60.58 3ndn s THR 166 Cb -0.11 -0.59 0.07 0.00 -1.51 0.00 0.00 72.50 70.37 3ndn s THR 166 CO 0.02 0.04 1.15 -2.84 -2.21 0.00 0.00 174.62 170.78 3ndn s PRO 167 N 1.38 1.91 0.88 7.08 0.02 -1.26 -4.66 135.00 140.34 3ndn s PRO 167 Ca -0.09 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 62.31 3ndn s PRO 167 Cb -0.09 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.73 3ndn s PRO 167 CO -0.12 -1.96 1.19 -1.54 -0.33 0.00 0.00 177.00 174.23 3ndn s SER 168 N -2.61 3.87 -0.03 2.53 1.04 -0.46 -4.84 113.70 113.20 3ndn s SER 168 Ca 0.68 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.85 3ndn s SER 168 Cb -0.23 -1.18 0.03 0.00 0.10 0.00 0.00 66.02 64.74 3ndn s SER 168 CO 0.51 -2.30 0.05 0.21 0.98 0.00 0.00 173.24 172.69 3ndn s ASN 169 N -4.45 0.49 0.02 7.02 3.84 -1.26 -2.39 114.94 118.22 3ndn s ASN 169 Ca 0.65 0.08 0.24 0.00 0.21 0.00 0.00 52.86 54.03 3ndn s ASN 169 Cb -0.11 -0.07 0.23 0.00 -0.55 0.00 0.00 41.25 40.75 3ndn s ASN 169 CO 0.51 -0.18 1.21 -0.81 -2.79 0.00 0.00 177.10 175.04 3ndn n PRO 170 N 4.65 0.09 0.04 0.43 -0.04 -1.26 -4.81 135.00 134.10 3ndn n PRO 170 Ca -0.18 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.42 3ndn n PRO 170 Cb 0.50 -1.53 0.54 0.00 -0.04 0.00 0.00 33.50 32.97 3ndn n PRO 170 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3ndn n MET 171 N -1.65 0.09 -3.38 0.54 2.81 -1.26 -4.75 117.12 109.51 3ndn n MET 171 Ca 0.04 0.08 -0.22 0.00 -1.81 0.00 0.00 57.70 55.79 3ndn n MET 171 Cb 0.36 -1.60 0.06 0.00 -0.71 0.00 0.00 33.22 31.33 3ndn n MET 171 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3ndn n GLN 172 N -1.76 -6.76 -2.47 0.03 6.02 -1.00 -4.98 117.38 106.46 3ndn n GLN 172 Ca 0.06 0.80 -0.39 0.00 -0.01 0.00 0.00 57.00 57.46 3ndn n GLN 172 Cb 0.37 -5.66 -0.04 0.00 1.02 0.00 0.00 30.24 25.93 3ndn n GLN 172 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ndn s SER 173 N -3.15 7.09 0.14 1.08 0.15 -1.26 -4.62 113.70 113.12 3ndn s SER 173 Ca 0.48 2.23 0.04 0.00 0.70 0.00 0.00 55.95 59.40 3ndn s SER 173 Cb -0.21 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 3ndn s SER 173 CO 0.60 -0.27 0.16 -0.76 1.20 0.00 0.00 173.24 174.17 3ndn s LEU 174 N -1.80 3.94 -0.12 3.45 1.43 -1.26 -1.36 118.68 122.96 3ndn s LEU 174 Ca 0.48 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3ndn s LEU 174 Cb -0.30 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 3ndn s LEU 174 CO 0.38 0.09 -0.08 -0.69 0.23 0.00 0.00 176.35 176.28 3ndn s VAL 175 N -1.66 3.54 -0.71 -1.59 1.01 -1.26 -4.05 120.40 115.69 3ndn s VAL 175 Ca 0.31 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 3ndn s VAL 175 Cb -0.11 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3ndn s VAL 175 CO 0.24 0.54 1.76 -0.62 0.00 0.00 0.00 175.10 177.02 3ndn s ASP 176 N -0.04 5.46 0.13 3.32 -1.08 -1.26 -4.91 116.67 118.28 3ndn s ASP 176 Ca -0.01 -0.09 -0.23 0.00 -0.52 0.00 0.00 52.55 51.71 3ndn s ASP 176 Cb -0.14 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.76 3ndn s ASP 176 CO 0.03 -2.31 1.66 0.40 0.52 0.00 0.00 175.17 175.46 3ndn h ILE 177 N 6.81 0.53 -0.57 4.11 2.04 -1.97 -2.39 117.51 126.07 3ndn h ILE 177 Ca -0.17 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3ndn h ILE 177 Cb 1.11 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3ndn h ILE 177 CO 1.24 0.00 0.00 0.00 0.00 0.00 0.00 178.15 179.39 3ndn h ALA 178 N 0.73 0.92 -0.37 1.87 0.00 -1.91 -1.75 119.26 118.74 3ndn h ALA 178 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3ndn h ALA 178 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ndn h ALA 178 CO -0.24 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.59 3ndn h ALA 179 N 1.08 0.51 -0.38 0.00 0.00 -1.89 -2.80 119.26 115.77 3ndn h ALA 179 Ca 0.17 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3ndn h ALA 179 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ndn h ALA 179 CO 0.03 0.34 -0.21 0.28 0.00 0.00 0.00 179.25 179.69 3ndn h VAL 180 N 0.51 1.27 -0.59 0.00 2.07 -1.32 -2.93 116.25 115.25 3ndn h VAL 180 Ca 0.10 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 3ndn h VAL 180 Cb 0.56 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3ndn h VAL 180 CO 0.03 0.44 0.09 0.71 0.02 0.00 0.00 177.57 178.86 3ndn h THR 181 N 0.65 1.25 -0.34 2.57 1.35 -1.31 -0.03 112.91 117.05 3ndn h THR 181 Ca 0.09 -0.96 -0.03 0.00 -0.55 0.00 0.00 66.41 64.96 3ndn h THR 181 Cb 0.71 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 3ndn h THR 181 CO 0.05 0.36 0.10 -0.33 -0.25 0.00 0.00 175.52 175.45 3ndn h GLU 182 N 0.90 0.54 -0.66 4.72 5.08 -1.43 -1.64 114.58 122.09 3ndn h GLU 182 Ca 0.18 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3ndn h GLU 182 Cb 0.39 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3ndn h GLU 182 CO 0.01 0.57 0.35 -0.07 -1.00 0.00 0.00 179.01 178.87 3ndn h LEU 183 N 0.40 0.84 -0.48 1.33 3.38 -1.38 -2.87 115.31 116.52 3ndn h LEU 183 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ndn h LEU 183 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3ndn h LEU 183 CO -0.00 0.70 0.19 0.00 0.09 0.00 0.00 178.44 179.42 3ndn h ALA 184 N 1.17 0.62 -0.34 1.53 0.00 -0.88 -2.91 119.26 118.45 3ndn h ALA 184 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ndn h ALA 184 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ndn h ALA 184 CO -0.03 0.23 0.01 0.45 0.00 0.00 0.00 179.25 179.91 3ndn h HIS 185 N 0.63 0.54 -0.11 0.00 3.86 -1.28 -1.87 115.15 116.92 3ndn h HIS 185 Ca 0.16 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3ndn h HIS 185 Cb 0.20 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3ndn h HIS 185 CO 0.00 0.53 -0.02 0.00 0.86 0.00 0.00 177.93 179.30 3ndn h ALA 186 N 1.51 1.78 -0.09 2.45 0.00 -1.30 -2.19 119.26 121.41 3ndn h ALA 186 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ndn h ALA 186 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ndn h ALA 186 CO 0.01 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3ndn n ALA 187 N -2.51 2.54 -0.76 0.00 0.00 -0.94 -4.94 120.51 113.90 3ndn n ALA 187 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3ndn n ALA 187 Cb 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3ndn n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndn n GLY 188 N 1.17 0.59 3.91 0.00 0.00 -0.82 -2.20 105.19 107.84 3ndn n GLY 188 Ca 0.18 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3ndn n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ndn s ALA 189 N -2.00 3.69 -0.14 4.61 0.00 -0.75 -4.71 121.76 122.47 3ndn s ALA 189 Ca 0.00 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 3ndn s ALA 189 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 3ndn s ALA 189 CO 0.00 0.32 0.14 0.15 0.00 0.00 0.00 175.76 176.37 3ndn s LYS 190 N -3.44 3.69 -0.26 0.00 -0.14 -0.83 -4.26 119.74 114.50 3ndn s LYS 190 Ca 0.42 -0.14 -0.15 0.00 -1.36 0.00 0.00 55.97 54.74 3ndn s LYS 190 Cb -0.11 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.74 3ndn s LYS 190 CO 0.29 0.62 0.37 0.08 -0.76 0.00 0.00 175.35 175.95 3ndn s VAL 191 N -0.58 5.19 -0.23 3.17 1.01 -1.26 -1.69 120.40 126.01 3ndn s VAL 191 Ca 0.13 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 3ndn s VAL 191 Cb -0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3ndn s VAL 191 CO 0.02 0.19 0.05 -0.69 0.00 0.00 0.00 175.10 174.67 3ndn s VAL 192 N 1.87 4.27 -0.20 2.92 1.01 -0.27 -1.77 120.40 128.23 3ndn s VAL 192 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3ndn s VAL 192 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3ndn s VAL 192 CO 0.09 0.38 -0.03 -0.22 0.00 0.00 0.00 175.10 175.32 3ndn s LEU 193 N 1.29 3.09 -0.33 3.92 2.96 -0.35 -2.83 118.68 126.43 3ndn s LEU 193 Ca 0.05 -0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 53.47 3ndn s LEU 193 Cb -0.15 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 3ndn s LEU 193 CO 0.03 0.06 0.70 -0.62 -1.32 0.00 0.00 176.35 175.20 3ndn s ASP 194 N 1.02 6.54 -0.24 3.68 -1.08 -0.71 -1.27 116.67 124.61 3ndn s ASP 194 Ca 0.01 0.42 0.12 0.00 -0.52 0.00 0.00 52.55 52.59 3ndn s ASP 194 Cb -0.15 -2.36 0.49 0.00 -1.46 0.00 0.00 42.92 39.44 3ndn s ASP 194 CO 0.01 -0.59 1.41 -3.20 0.52 0.00 0.00 175.17 173.32 3ndn n ASN 195 N 6.11 2.83 -0.19 -0.34 5.15 -1.12 -4.01 115.26 123.67 3ndn n ASN 195 Ca 0.01 -3.50 -0.09 0.00 -0.60 0.00 0.00 54.58 50.40 3ndn n ASN 195 Cb 0.48 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 39.16 3ndn n ASN 195 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3ndn h VAL 196 N 1.13 1.26 -0.59 3.44 2.07 -1.93 -2.28 116.25 119.34 3ndn h VAL 196 Ca 0.12 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3ndn h VAL 196 Cb 1.50 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3ndn h VAL 196 CO 0.28 0.38 0.38 0.15 0.02 0.00 0.00 177.57 178.78 3ndn h PHE 197 N 0.83 0.76 0.03 1.57 3.57 -1.88 -3.28 116.94 118.54 3ndn h PHE 197 Ca 0.16 0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.39 3ndn h PHE 197 Cb 0.49 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3ndn h PHE 197 CO 0.04 0.50 -1.56 0.00 -2.23 0.00 0.00 178.31 175.05 3ndn h ALA 198 N 1.20 0.58 -1.95 2.41 0.00 -1.81 -3.43 119.26 116.27 3ndn h ALA 198 Ca 0.22 -1.30 0.20 0.00 0.00 0.00 0.00 54.91 54.03 3ndn h ALA 198 Cb -0.06 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 3ndn h ALA 198 CO -0.04 1.43 -0.67 0.25 0.00 0.00 0.00 179.25 180.22 3ndn n THR 199 N -3.21 -0.41 0.42 0.00 -2.24 -0.87 -3.78 114.28 104.20 3ndn n THR 199 Ca -0.15 0.48 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 3ndn n THR 199 Cb 1.03 -0.75 0.26 0.00 -2.10 0.00 0.00 70.33 68.77 3ndn n THR 199 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ndn n PRO 200 N -3.36 0.01 0.10 -0.78 -0.04 -1.26 -2.77 135.00 126.90 3ndn n PRO 200 Ca -0.05 0.29 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 3ndn n PRO 200 Cb 0.38 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3ndn n PRO 200 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ndn h LEU 201 N 0.00 0.05 0.00 1.53 4.07 -1.95 -3.38 115.31 115.63 3ndn h LEU 201 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3ndn h LEU 201 Cb 0.20 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3ndn h LEU 201 CO 0.00 0.81 -0.59 0.18 -1.08 0.00 0.00 178.44 177.75 3ndn n LEU 202 N -3.64 0.42 -3.65 1.67 4.77 -1.11 -4.86 117.00 110.60 3ndn n LEU 202 Ca -0.01 -0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 55.48 3ndn n LEU 202 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 3ndn n LEU 202 CO 0.45 0.10 0.27 -1.58 -1.33 0.00 0.00 177.39 175.30 3ndn s GLN 203 N -2.04 0.60 -0.24 3.23 0.74 -1.19 -1.23 119.66 119.54 3ndn s GLN 203 Ca 0.03 1.27 0.02 0.00 0.05 0.00 0.00 55.36 56.73 3ndn s GLN 203 Cb 0.07 0.44 0.05 0.00 1.10 0.00 0.00 33.01 34.67 3ndn s GLN 203 CO 0.42 -0.18 -0.12 -0.65 -0.55 0.00 0.00 175.29 174.21 3ndn s GLN 204 N 2.20 2.50 0.08 1.67 -0.21 -1.26 -4.51 119.66 120.13 3ndn s GLN 204 Ca -0.08 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.15 3ndn s GLN 204 Cb -0.09 -2.84 -0.24 0.00 1.00 0.00 0.00 33.01 30.85 3ndn s GLN 204 CO -0.19 -0.47 1.16 0.78 -2.12 0.00 0.00 175.29 174.46 3ndn h GLY 205 N 7.85 0.12 0.89 3.09 0.00 -1.97 -3.37 103.07 109.68 3ndn h GLY 205 Ca -0.27 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 46.78 3ndn h GLY 205 CO 0.52 0.27 0.48 0.74 0.00 0.00 0.00 176.54 178.55 3ndn h PHE 206 N 0.03 0.90 0.00 5.60 0.04 -1.93 -0.41 116.94 121.17 3ndn h PHE 206 Ca -0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3ndn h PHE 206 Cb 1.87 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.72 3ndn h PHE 206 CO 0.03 0.53 0.00 -2.30 -0.60 0.00 0.00 178.31 175.96 3ndn n PRO 207 N -4.62 0.20 -0.18 1.51 -0.02 -1.26 -1.95 135.00 128.68 3ndn n PRO 207 Ca 0.08 0.15 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 3ndn n PRO 207 Cb 0.08 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.24 3ndn n PRO 207 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ndn n LEU 208 N -1.26 3.13 0.00 2.45 4.77 -0.18 -4.98 117.00 120.93 3ndn n LEU 208 Ca 0.06 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3ndn n LEU 208 Cb 0.10 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3ndn n LEU 208 CO 0.10 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3ndn n GLY 209 N 1.09 0.44 3.74 -0.72 0.00 -0.82 -4.37 105.19 104.55 3ndn n GLY 209 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3ndn n GLY 209 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ndn s VAL 210 N -2.02 2.37 -0.12 1.61 -7.23 -1.14 -4.93 120.40 108.94 3ndn s VAL 210 Ca 0.00 0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.40 3ndn s VAL 210 Cb 0.00 -3.09 -0.25 0.00 0.56 0.00 0.00 36.38 33.60 3ndn s VAL 210 CO 0.00 -0.05 0.36 0.47 -0.31 0.00 0.00 175.10 175.57 3ndn n ASP 211 N -1.71 1.76 -3.85 4.85 8.00 -0.91 -4.66 116.55 120.03 3ndn n ASP 211 Ca 0.15 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.71 3ndn n ASP 211 Cb 0.49 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.86 3ndn n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ndn s VAL 212 N -2.56 0.10 -0.10 2.53 1.01 -0.73 -4.30 120.40 116.35 3ndn s VAL 212 Ca -0.19 0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3ndn s VAL 212 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 3ndn s VAL 212 CO 0.77 0.07 -0.23 -0.69 0.00 0.00 0.00 175.10 175.03 3ndn s VAL 213 N 0.46 2.20 -0.08 2.92 1.01 -0.62 -1.21 120.40 125.08 3ndn s VAL 213 Ca -0.04 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3ndn s VAL 213 Cb -0.06 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3ndn s VAL 213 CO -0.01 0.56 -0.09 0.68 0.00 0.00 0.00 175.10 176.23 3ndn s VAL 214 N 0.30 3.47 0.14 2.92 -7.23 -0.40 -1.56 120.40 118.04 3ndn s VAL 214 Ca -0.17 -0.55 0.09 0.00 -1.81 0.00 0.00 61.98 59.54 3ndn s VAL 214 Cb -0.17 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3ndn s VAL 214 CO 0.08 0.58 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.96 3ndn s TYR 215 N -0.54 2.50 -0.19 2.82 2.02 -0.75 -2.79 117.35 120.43 3ndn s TYR 215 Ca 0.08 -0.28 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 3ndn s TYR 215 Cb -0.12 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3ndn s TYR 215 CO 0.02 0.42 0.45 0.45 -1.57 0.00 0.00 175.55 175.33 3ndn s SER 216 N -2.35 6.52 0.37 2.29 0.15 -1.26 -2.23 113.70 117.19 3ndn s SER 216 Ca 0.19 0.62 0.26 0.00 0.70 0.00 0.00 55.95 57.72 3ndn s SER 216 Cb -0.10 -2.26 0.68 0.00 -1.71 0.00 0.00 66.02 62.63 3ndn s SER 216 CO 0.11 -0.10 1.72 1.23 1.20 0.00 0.00 173.24 177.40 3ndn h GLY 217 N 7.59 0.00 0.70 9.45 0.00 -0.91 -3.43 103.07 116.47 3ndn h GLY 217 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3ndn h GLY 217 CO 0.73 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.68 3ndn n THR 218 N -2.77 0.00 -0.48 4.70 -1.04 -1.22 -1.61 114.28 111.86 3ndn n THR 218 Ca 0.04 0.00 0.41 0.00 -2.04 0.00 0.00 64.05 62.46 3ndn n THR 218 Cb 0.44 -0.90 0.68 0.00 -1.82 0.00 0.00 70.33 68.73 3ndn n THR 218 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3ndn n HIS 220 N -0.84 0.66 0.02 -1.42 8.25 -1.23 -4.58 115.22 116.08 3ndn n HIS 220 Ca 0.00 0.66 -0.10 0.00 -0.26 0.00 0.00 57.72 58.02 3ndn n HIS 220 Cb 0.00 -1.10 -0.04 0.00 1.12 0.00 0.00 29.99 29.97 3ndn n HIS 220 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3ndn h ILE 221 N 0.00 0.38 0.28 1.59 2.04 -1.83 -2.05 117.51 117.92 3ndn h ILE 221 Ca 0.88 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.73 3ndn h ILE 221 Cb 2.87 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3ndn h ILE 221 CO -0.44 0.00 -0.16 -0.78 0.00 0.00 0.00 178.15 176.78 3ndn h ASP 222 N -0.36 -0.39 0.00 1.72 1.82 -1.55 -3.32 116.42 114.34 3ndn h ASP 222 Ca 0.09 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3ndn h ASP 222 Cb 0.49 0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.61 3ndn h ASP 222 CO -0.29 -0.26 0.00 0.61 -1.61 0.00 0.00 179.24 177.69 3ndn n GLY 223 N -1.28 2.64 0.36 -0.78 0.00 -0.77 -4.74 105.19 100.61 3ndn n GLY 223 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ndn n GLY 223 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ndn n GLN 224 N -2.00 0.00 -1.59 1.61 6.02 -1.26 -0.77 117.38 119.39 3ndn n GLN 224 Ca 0.00 -0.79 -0.09 0.00 -0.01 0.00 0.00 57.00 56.10 3ndn n GLN 224 Cb 0.00 -0.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.77 3ndn n GLN 224 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ndn n GLY 225 N 0.00 0.70 0.08 1.08 0.00 -1.26 -4.88 105.19 100.90 3ndn n GLY 225 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 3ndn n GLY 225 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ndn h ARG 226 N 0.00 0.00 -5.02 1.61 3.08 -1.93 -3.50 114.38 108.62 3ndn h ARG 226 Ca -0.20 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.43 3ndn h ARG 226 Cb 0.80 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.71 3ndn h ARG 226 CO 0.27 0.54 -0.60 0.14 -1.07 0.00 0.00 179.97 179.25 3ndn s VAL 227 N -2.17 0.77 0.16 2.04 -7.23 -1.26 -5.17 120.40 107.55 3ndn s VAL 227 Ca -0.18 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 3ndn s VAL 227 Cb 0.02 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 3ndn s VAL 227 CO 0.40 0.00 0.22 -0.76 -0.31 0.00 0.00 175.10 174.65 3ndn s LEU 228 N -3.41 4.08 0.00 1.32 1.02 -1.26 -4.39 118.68 116.05 3ndn s LEU 228 Ca 0.36 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.53 3ndn s LEU 228 Cb 0.07 -2.67 0.00 0.00 0.02 0.00 0.00 46.19 43.62 3ndn s LEU 228 CO 0.15 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.18 3ndn n GLY 229 N -0.53 0.71 3.61 -3.19 0.00 -1.17 -4.77 105.19 99.86 3ndn n GLY 229 Ca -0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 3ndn n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ndn s GLY 230 N 0.00 0.95 -0.10 -0.02 0.00 -0.57 -0.22 107.32 107.36 3ndn s GLY 230 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 43.41 3ndn s GLY 230 CO 0.00 -0.70 0.42 0.00 0.00 0.00 0.00 173.10 172.81 3ndn s ALA 231 N -3.03 -1.05 -0.16 3.20 0.00 -0.95 -0.99 121.76 118.77 3ndn s ALA 231 Ca 0.24 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 3ndn s ALA 231 Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3ndn s ALA 231 CO 0.15 -0.24 -0.08 0.42 0.00 0.00 0.00 175.76 176.01 3ndn s ILE 232 N -0.50 3.34 -0.08 0.00 1.01 -0.12 -1.80 121.20 123.06 3ndn s ILE 232 Ca -0.06 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3ndn s ILE 232 Cb -0.03 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.98 3ndn s ILE 232 CO 0.03 0.49 -0.20 -0.76 0.00 0.00 0.00 174.94 174.50 3ndn s LEU 233 N 0.71 1.94 0.00 2.97 1.02 -0.60 -0.97 118.68 123.74 3ndn s LEU 233 Ca -0.04 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.66 3ndn s LEU 233 Cb -0.15 -1.18 0.00 0.00 0.02 0.00 0.00 46.19 44.88 3ndn s LEU 233 CO 0.02 0.13 0.00 0.61 0.02 0.00 0.00 176.35 177.13 3ndn n GLY 234 N 3.50 0.76 3.71 -3.19 0.00 -0.76 -1.58 105.19 107.62 3ndn n GLY 234 Ca -0.20 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 3ndn n GLY 234 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ndn n ASP 235 N -0.01 2.55 -0.16 1.61 8.00 -1.26 -1.57 116.55 125.71 3ndn n ASP 235 Ca 0.00 1.07 -0.03 0.00 0.71 0.00 0.00 54.79 56.54 3ndn n ASP 235 Cb 0.00 -1.52 0.04 0.00 -0.02 0.00 0.00 41.12 39.62 3ndn n ASP 235 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3ndn h ARG 236 N 1.91 -0.01 -0.39 -1.24 9.65 -1.93 0.15 114.38 122.52 3ndn h ARG 236 Ca -0.49 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.44 3ndn h ARG 236 Cb 1.30 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.83 3ndn h ARG 236 CO 0.59 -0.00 0.13 1.49 2.80 0.00 0.00 179.97 184.98 3ndn h GLU 237 N -0.01 0.28 0.14 0.20 4.22 -1.97 -0.30 114.58 117.15 3ndn h GLU 237 Ca 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 3ndn h GLU 237 Cb 0.37 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ndn h GLU 237 CO -0.52 0.19 -0.07 -0.92 -2.18 0.00 0.00 179.01 175.51 3ndn h TYR 238 N 0.29 -0.18 -0.44 0.92 3.20 -1.84 -1.53 116.97 117.39 3ndn h TYR 238 Ca 0.18 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3ndn h TYR 238 Cb 0.17 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3ndn h TYR 238 CO -0.15 0.10 0.29 0.82 -1.64 0.00 0.00 178.16 177.57 3ndn h ILE 239 N -0.45 1.12 0.00 1.81 1.08 -0.86 -3.01 117.51 117.20 3ndn h ILE 239 Ca -0.02 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 3ndn h ILE 239 Cb 0.36 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 3ndn h ILE 239 CO 0.03 0.12 -0.08 0.47 -0.69 0.00 0.00 178.15 178.00 3ndn n ASP 240 N -4.77 0.27 0.00 1.72 8.00 -0.13 -1.86 116.55 119.77 3ndn n ASP 240 Ca 0.01 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3ndn n ASP 240 Cb 0.03 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 3ndn n ASP 240 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ndn n GLY 241 N 1.45 0.13 0.18 0.44 0.00 -0.58 -4.58 105.19 102.24 3ndn n GLY 241 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 3ndn n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ndn h PRO 242 N 0.00 0.13 0.18 1.61 0.13 -1.78 -2.48 132.00 129.78 3ndn h PRO 242 Ca 0.00 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3ndn h PRO 242 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ndn h PRO 242 CO 0.00 0.54 -0.09 0.28 -0.23 0.00 0.00 178.00 178.51 3ndn h VAL 243 N 0.11 0.94 -0.72 1.56 2.07 -1.71 -2.84 116.25 115.66 3ndn h VAL 243 Ca 0.01 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 66.97 3ndn h VAL 243 Cb 0.82 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.84 3ndn h VAL 243 CO 0.06 0.16 0.26 -0.61 0.02 0.00 0.00 177.57 177.46 3ndn h GLN 244 N -0.59 0.39 -0.39 1.57 4.15 -1.32 -0.90 115.11 118.02 3ndn h GLN 244 Ca -0.02 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.39 3ndn h GLN 244 Cb 0.44 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3ndn h GLN 244 CO 0.04 0.26 0.23 -0.22 -1.93 0.00 0.00 178.83 177.20 3ndn h LYS 245 N 0.40 0.45 -0.54 1.69 3.64 -1.42 0.96 116.57 121.75 3ndn h LYS 245 Ca 0.40 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 3ndn h LYS 245 Cb 0.60 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3ndn h LYS 245 CO -0.41 0.30 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.93 3ndn h LEU 246 N 0.46 0.98 -0.18 5.20 3.38 -1.20 -2.52 115.31 121.42 3ndn h LEU 246 Ca 0.15 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ndn h LEU 246 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3ndn h LEU 246 CO -0.07 1.07 0.06 0.24 0.09 0.00 0.00 178.44 179.83 3ndn h MET 247 N 0.89 0.29 -0.35 1.13 2.86 -0.79 0.13 114.93 119.09 3ndn h MET 247 Ca 0.15 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3ndn h MET 247 Cb 0.62 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3ndn h MET 247 CO 0.04 0.40 0.22 0.00 1.06 0.00 0.00 176.91 178.62 3ndn h ARG 248 N 0.12 0.43 0.00 1.72 3.08 -0.85 -2.58 114.38 116.30 3ndn h ARG 248 Ca 0.06 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3ndn h ARG 248 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3ndn h ARG 248 CO -0.00 0.28 -2.11 0.72 -1.07 0.00 0.00 179.97 177.79 3ndn n HIS 249 N -4.87 0.00 0.46 3.04 8.25 -0.95 -4.34 115.22 116.81 3ndn n HIS 249 Ca -0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3ndn n HIS 249 Cb 0.04 -0.64 -0.10 0.00 1.12 0.00 0.00 29.99 30.41 3ndn n HIS 249 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3ndn n THR 250 N -2.40 0.06 -3.09 1.59 -2.24 0.44 -5.06 114.28 103.58 3ndn n THR 250 Ca -0.12 -0.28 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 3ndn n THR 250 Cb 0.74 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 69.37 3ndn n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ndn n GLY 251 N 1.36 -0.31 2.59 3.38 0.00 -0.97 -4.94 105.19 106.30 3ndn n GLY 251 Ca 0.00 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3ndn n GLY 251 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ndn n PRO 252 N -3.79 3.36 -3.05 1.61 -0.04 -1.26 -4.96 135.00 126.87 3ndn n PRO 252 Ca -0.06 -2.66 -0.39 0.00 -0.04 0.00 0.00 63.50 60.35 3ndn n PRO 252 Cb 0.58 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.95 3ndn n PRO 252 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ndn s ALA 253 N 2.17 3.48 0.17 0.55 0.00 -1.26 -1.24 121.76 125.62 3ndn s ALA 253 Ca 0.54 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 3ndn s ALA 253 Cb 0.15 -2.88 -0.08 0.00 0.00 0.00 0.00 23.12 20.31 3ndn s ALA 253 CO -0.07 0.30 1.25 1.41 0.00 0.00 0.00 175.76 178.65 3ndn s MET 254 N -1.05 4.44 0.40 0.00 1.75 -1.26 -4.05 119.30 119.53 3ndn s MET 254 Ca 0.34 1.93 -0.26 0.00 -1.25 0.00 0.00 55.69 56.45 3ndn s MET 254 Cb -0.22 -3.24 -0.09 0.00 2.84 0.00 0.00 34.83 34.12 3ndn s MET 254 CO 0.24 -0.19 1.28 0.45 -0.65 0.00 0.00 175.02 176.15 3ndn s SER 255 N 0.40 6.37 0.48 1.11 0.15 -1.26 -4.93 113.70 116.02 3ndn s SER 255 Ca 0.56 2.60 0.20 0.00 0.70 0.00 0.00 55.95 60.01 3ndn s SER 255 Cb -0.34 -2.63 1.23 0.00 -1.71 0.00 0.00 66.02 62.57 3ndn s SER 255 CO 0.35 -0.80 2.04 0.00 1.20 0.00 0.00 173.24 176.03 3ndn h ALA 256 N 2.70 1.52 -0.17 5.45 0.00 -1.96 -0.85 119.26 125.96 3ndn h ALA 256 Ca -0.49 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 3ndn h ALA 256 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ndn h ALA 256 CO 0.63 0.19 -0.08 0.35 0.00 0.00 0.00 179.25 180.34 3ndn h PHE 257 N 0.00 0.40 -0.70 0.00 3.57 -1.93 -2.43 116.94 115.85 3ndn h PHE 257 Ca -0.00 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 3ndn h PHE 257 Cb 0.31 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3ndn h PHE 257 CO 0.00 0.65 0.20 -0.91 -2.23 0.00 0.00 178.31 176.03 3ndn h ASN 258 N 0.02 1.02 -0.65 0.41 4.21 -1.82 -2.49 115.58 116.28 3ndn h ASN 258 Ca 0.04 -0.19 0.06 0.00 1.21 0.00 0.00 56.30 57.41 3ndn h ASN 258 Cb 0.55 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.43 3ndn h ASN 258 CO 0.02 0.96 0.36 0.00 -1.29 0.00 0.00 177.43 177.48 3ndn h ALA 259 N 1.18 0.87 0.04 -0.83 0.00 -1.09 -1.47 119.26 117.95 3ndn h ALA 259 Ca 0.22 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3ndn h ALA 259 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ndn h ALA 259 CO -0.00 0.04 -0.15 2.35 0.00 0.00 0.00 179.25 181.48 3ndn h TRP 260 N 0.67 -0.39 -0.53 0.00 7.01 -1.08 -0.23 115.95 121.39 3ndn h TRP 260 Ca 0.29 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.40 3ndn h TRP 260 Cb 0.18 0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.32 3ndn h TRP 260 CO -0.08 -0.22 0.07 0.28 -2.79 0.00 0.00 178.44 175.70 3ndn h VAL 261 N -0.27 0.65 -0.06 2.65 2.07 -1.16 -2.50 116.25 117.63 3ndn h VAL 261 Ca 0.04 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 67.29 3ndn h VAL 261 Cb 0.31 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3ndn h VAL 261 CO -0.12 0.04 -0.80 -0.07 0.02 0.00 0.00 177.57 176.64 3ndn h LEU 262 N 0.20 0.55 -0.91 2.57 3.38 -1.12 -1.36 115.31 118.62 3ndn h LEU 262 Ca 0.27 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3ndn h LEU 262 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ndn h LEU 262 CO -0.38 1.15 -0.54 0.17 0.09 0.00 0.00 178.44 178.92 3ndn h LEU 263 N 0.29 0.00 -0.45 1.67 8.10 -0.95 -1.88 115.31 122.09 3ndn h LEU 263 Ca -0.05 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.77 3ndn h LEU 263 Cb 1.40 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.61 3ndn h LEU 263 CO 0.14 0.54 -0.65 0.11 -4.11 0.00 0.00 178.44 174.48 3ndn h LYS 264 N 0.00 0.48 -0.97 0.17 1.79 -1.39 -3.19 116.57 113.46 3ndn h LYS 264 Ca -0.01 -0.35 0.03 0.00 -2.18 0.00 0.00 60.65 58.14 3ndn h LYS 264 Cb 0.97 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 3ndn h LYS 264 CO 0.07 0.97 0.64 0.78 -1.08 0.00 0.00 179.45 180.83 3ndn h GLY 265 N 1.15 1.41 1.55 3.86 0.00 -0.76 -2.61 103.07 107.67 3ndn h GLY 265 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.88 3ndn h GLY 265 CO 0.12 0.44 0.16 1.41 0.00 0.00 0.00 176.54 178.67 3ndn h LEU 266 N 1.26 0.00 -1.54 3.11 3.38 -1.34 -2.70 115.31 117.47 3ndn h LEU 266 Ca 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 3ndn h LEU 266 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ndn h LEU 266 CO -0.11 0.00 0.21 -0.33 0.09 0.00 0.00 178.44 178.30 3ndn h GLU 267 N 0.00 0.52 -0.39 1.13 5.08 -1.44 -3.06 114.58 116.41 3ndn h GLU 267 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3ndn h GLU 267 Cb 0.43 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ndn h GLU 267 CO -0.00 0.38 0.00 0.25 -1.00 0.00 0.00 179.01 178.64 3ndn n THR 268 N -4.44 0.76 -0.07 1.13 -2.24 -1.03 -4.53 114.28 103.86 3ndn n THR 268 Ca 0.03 -0.88 -0.07 0.00 -2.27 0.00 0.00 64.05 60.85 3ndn n THR 268 Cb 0.09 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 3ndn n THR 268 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3ndn h LEU 269 N 2.96 -0.17 -0.03 3.22 5.85 -1.42 -1.88 115.31 123.84 3ndn h LEU 269 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3ndn h LEU 269 Cb 0.79 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 3ndn h LEU 269 CO 0.00 -0.05 -0.28 0.00 -0.34 0.00 0.00 178.44 177.77 3ndn h ALA 270 N 1.24 -0.36 -0.09 1.25 0.00 -1.84 -1.25 119.26 118.21 3ndn h ALA 270 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3ndn h ALA 270 Cb 0.18 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3ndn h ALA 270 CO -0.24 -0.77 -0.42 -0.84 0.00 0.00 0.00 179.25 176.98 3ndn h ILE 271 N -0.41 1.31 -0.16 0.00 3.07 -1.89 -1.91 117.51 117.53 3ndn h ILE 271 Ca 0.07 -1.52 -0.05 0.00 1.55 0.00 0.00 64.86 64.91 3ndn h ILE 271 Cb 0.50 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3ndn h ILE 271 CO -0.26 0.45 -0.10 0.03 -1.05 0.00 0.00 178.15 177.22 3ndn h ARG 272 N 0.16 0.35 -0.39 0.16 3.08 -1.18 -2.30 114.38 114.27 3ndn h ARG 272 Ca 0.01 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3ndn h ARG 272 Cb 0.81 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 3ndn h ARG 272 CO 0.06 0.69 0.14 0.28 -1.07 0.00 0.00 179.97 180.08 3ndn h VAL 273 N 0.01 1.20 -0.36 2.04 2.07 -1.23 -1.47 116.25 118.52 3ndn h VAL 273 Ca 0.03 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3ndn h VAL 273 Cb 0.60 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 3ndn h VAL 273 CO 0.03 0.23 -0.26 -0.61 0.02 0.00 0.00 177.57 176.98 3ndn h GLN 274 N 0.49 -0.21 0.02 1.57 4.15 -1.37 0.19 115.11 119.96 3ndn h GLN 274 Ca 0.13 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3ndn h GLN 274 Cb 0.22 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3ndn h GLN 274 CO -0.01 -0.14 -0.01 1.25 -1.93 0.00 0.00 178.83 178.00 3ndn h HIS 275 N -0.21 -0.03 -0.33 3.99 2.76 -1.31 -2.61 115.15 117.41 3ndn h HIS 275 Ca 0.17 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 3ndn h HIS 275 Cb 0.49 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3ndn h HIS 275 CO -0.47 0.07 -0.18 0.77 -1.30 0.00 0.00 177.93 176.81 3ndn h SER 276 N -0.11 0.61 -0.43 3.26 0.02 -1.16 -1.47 113.55 114.27 3ndn h SER 276 Ca -0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3ndn h SER 276 Cb 0.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3ndn h SER 276 CO 0.00 0.80 0.24 -1.13 -1.14 0.00 0.00 176.83 175.60 3ndn h ASN 277 N 0.55 0.53 -0.57 3.07 -1.24 -0.96 -0.46 115.58 116.49 3ndn h ASN 277 Ca 0.09 -0.08 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 3ndn h ASN 277 Cb 0.62 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 3ndn h ASN 277 CO 0.04 0.46 -0.08 0.00 -1.29 0.00 0.00 177.43 176.56 3ndn h ALA 278 N 1.09 0.78 -0.04 1.57 0.00 -1.30 -1.84 119.26 119.51 3ndn h ALA 278 Ca 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ndn h ALA 278 Cb 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ndn h ALA 278 CO -0.02 0.68 0.02 1.03 0.00 0.00 0.00 179.25 180.95 3ndn h SER 279 N 0.95 0.06 -0.92 0.00 0.87 -1.14 -2.70 113.55 110.67 3ndn h SER 279 Ca 0.15 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3ndn h SER 279 Cb 0.65 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 3ndn h SER 279 CO 0.04 0.20 0.61 0.00 -0.53 0.00 0.00 176.83 177.15 3ndn h ALA 280 N 0.86 1.38 -0.18 6.23 0.00 -0.98 -0.89 119.26 125.68 3ndn h ALA 280 Ca 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ndn h ALA 280 Cb 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ndn h ALA 280 CO -0.00 0.55 0.02 0.37 0.00 0.00 0.00 179.25 180.19 3ndn h GLN 281 N 1.20 0.09 -0.73 0.00 5.75 -1.26 -0.60 115.11 119.56 3ndn h GLN 281 Ca 0.35 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.87 3ndn h GLN 281 Cb -0.06 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3ndn h GLN 281 CO -0.09 0.06 0.46 0.00 -2.65 0.00 0.00 178.83 176.61 3ndn h ARG 282 N 0.09 0.89 -0.47 1.69 3.08 -1.11 -2.38 114.38 116.17 3ndn h ARG 282 Ca 0.08 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3ndn h ARG 282 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3ndn h ARG 282 CO -0.12 0.59 -0.09 0.82 -1.07 0.00 0.00 179.97 180.10 3ndn h ILE 283 N 0.92 1.27 -0.59 2.04 2.04 -0.88 -1.57 117.51 120.72 3ndn h ILE 283 Ca 0.29 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3ndn h ILE 283 Cb -0.01 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3ndn h ILE 283 CO -0.10 0.41 0.39 0.00 0.00 0.00 0.00 178.15 178.86 3ndn h ALA 284 N 0.89 0.75 -0.64 1.87 0.00 -1.02 -0.88 119.26 120.23 3ndn h ALA 284 Ca 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ndn h ALA 284 Cb 0.63 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3ndn h ALA 284 CO 0.04 0.17 0.33 0.93 0.00 0.00 0.00 179.25 180.73 3ndn h GLU 285 N 0.79 0.91 -0.13 0.00 5.08 -1.29 -0.95 114.58 119.00 3ndn h GLU 285 Ca 0.22 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3ndn h GLU 285 Cb -0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 3ndn h GLU 285 CO -0.05 0.71 -0.03 0.35 -1.00 0.00 0.00 179.01 178.99 3ndn h PHE 286 N 0.88 -0.06 -0.03 4.33 3.57 -1.07 -2.74 116.94 121.82 3ndn h PHE 286 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3ndn h PHE 286 Cb 0.08 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3ndn h PHE 286 CO -0.00 -0.05 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.84 3ndn h LEU 287 N 0.01 0.04 -1.51 0.59 3.38 -0.97 -2.69 115.31 114.16 3ndn h LEU 287 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ndn h LEU 287 Cb 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ndn h LEU 287 CO -0.13 0.17 -0.10 -1.13 0.09 0.00 0.00 178.44 177.33 3ndn h ASN 288 N 0.04 0.00 -0.02 -0.43 -1.24 -0.87 -2.91 115.58 110.16 3ndn h ASN 288 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3ndn h ASN 288 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3ndn h ASN 288 CO 0.02 0.10 -0.32 0.61 -1.29 0.00 0.00 177.43 176.54 3ndn n GLY 289 N -0.11 0.29 3.72 1.57 0.00 -1.02 -5.00 105.19 104.63 3ndn n GLY 289 Ca -0.00 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3ndn n GLY 289 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ndn s HIS 290 N -2.26 3.63 0.38 1.61 5.04 -1.10 -4.97 115.29 117.64 3ndn s HIS 290 Ca 0.20 1.62 0.39 0.00 -1.54 0.00 0.00 55.06 55.73 3ndn s HIS 290 Cb 0.18 -3.19 1.89 0.00 0.04 0.00 0.00 32.58 31.50 3ndn s HIS 290 CO 0.47 -0.32 2.18 -1.00 -2.34 0.00 0.00 174.74 173.73 3ndn h PRO 291 N 6.33 0.00 -0.01 2.88 0.13 -1.94 -2.68 132.00 136.71 3ndn h PRO 291 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3ndn h PRO 291 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ndn h PRO 291 CO 0.75 0.00 -0.03 0.43 -0.23 0.00 0.00 178.00 178.93 3ndn n SER 292 N -3.10 0.67 -4.41 1.44 7.64 -1.26 -4.87 113.62 109.73 3ndn n SER 292 Ca -0.01 -1.09 -0.33 0.00 1.01 0.00 0.00 58.87 58.45 3ndn n SER 292 Cb 0.19 -0.02 -0.14 0.00 -1.01 0.00 0.00 64.21 63.24 3ndn n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ndn s VAL 293 N -2.11 3.13 -0.16 0.44 1.01 -1.01 -1.35 120.40 120.35 3ndn s VAL 293 Ca 0.40 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 3ndn s VAL 293 Cb 0.21 -2.29 -0.24 0.00 0.00 0.00 0.00 36.38 34.06 3ndn s VAL 293 CO 0.38 0.54 0.52 -0.09 0.00 0.00 0.00 175.10 176.46 3ndn h ARG 294 N 6.30 0.05 -3.52 2.72 2.43 -1.13 -3.43 114.38 117.79 3ndn h ARG 294 Ca -0.32 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.70 3ndn h ARG 294 Cb 1.20 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 30.65 3ndn h ARG 294 CO 0.55 1.04 -0.15 1.67 -1.51 0.00 0.00 179.97 181.57 3ndn s TRP 295 N -2.32 -0.04 -0.00 2.20 1.48 -1.24 -5.02 118.94 114.00 3ndn s TRP 295 Ca -0.23 -0.31 0.04 0.00 -1.06 0.00 0.00 56.10 54.54 3ndn s TRP 295 Cb 0.02 0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 32.50 3ndn s TRP 295 CO 0.67 -0.71 -0.11 0.08 -4.06 0.00 0.00 176.95 172.81 3ndn s VAL 296 N -3.85 0.90 -0.22 -0.66 1.01 -1.26 -1.68 120.40 114.64 3ndn s VAL 296 Ca 0.06 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3ndn s VAL 296 Cb 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3ndn s VAL 296 CO -0.09 0.22 -0.10 -0.13 0.00 0.00 0.00 175.10 175.00 3ndn s ARG 297 N -0.36 3.00 -0.23 2.72 1.81 0.17 -4.73 118.95 121.32 3ndn s ARG 297 Ca 0.04 -0.86 -0.13 0.00 -1.72 0.00 0.00 55.73 53.06 3ndn s ARG 297 Cb -0.05 -2.86 0.07 0.00 -0.45 0.00 0.00 34.95 31.67 3ndn s ARG 297 CO -0.00 -0.30 0.57 -0.47 -0.68 0.00 0.00 175.30 174.42 3ndn s TYR 298 N 1.34 -0.88 0.53 -0.53 5.04 -1.26 -2.70 117.35 118.89 3ndn s TYR 298 Ca 0.03 1.78 0.28 0.00 -2.44 0.00 0.00 57.07 56.71 3ndn s TYR 298 Cb -0.15 0.48 1.66 0.00 0.35 0.00 0.00 41.96 44.30 3ndn s TYR 298 CO -0.07 -0.46 2.19 -1.35 -1.34 0.00 0.00 175.55 174.53 3ndn h PRO 299 N 7.11 0.00 -0.69 4.97 0.11 -1.91 -2.02 132.00 139.56 3ndn h PRO 299 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3ndn h PRO 299 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ndn h PRO 299 CO 0.21 0.04 0.00 0.66 -0.21 0.00 0.00 178.00 178.70 3ndn n TYR 300 N -3.86 1.27 -3.70 0.65 0.53 -1.26 -4.67 117.16 106.12 3ndn n TYR 300 Ca -0.03 -0.54 -0.35 0.00 -1.02 0.00 0.00 57.90 55.95 3ndn n TYR 300 Cb 0.13 -0.14 -0.08 0.00 -1.03 0.00 0.00 39.34 38.21 3ndn n TYR 300 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3ndn s LEU 301 N -1.48 4.19 0.61 7.72 2.96 -0.76 -5.01 118.68 126.91 3ndn s LEU 301 Ca 0.50 0.22 0.28 0.00 -0.22 0.00 0.00 54.13 54.91 3ndn s LEU 301 Cb 0.29 -2.11 1.43 0.00 0.50 0.00 0.00 46.19 46.31 3ndn s LEU 301 CO 0.28 0.15 1.84 -0.65 -1.32 0.00 0.00 176.35 176.65 3ndn h PRO 302 N 6.86 0.00 0.00 0.98 0.11 -1.89 -1.78 132.00 136.28 3ndn h PRO 302 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ndn h PRO 302 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ndn h PRO 302 CO 0.74 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 3ndn n SER 303 N -3.44 0.49 -4.72 -2.05 3.41 -1.26 -4.82 113.62 101.23 3ndn n SER 303 Ca 0.06 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.86 3ndn n SER 303 Cb 0.66 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3ndn n SER 303 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3ndn s HIS 304 N -3.20 3.03 0.61 7.33 5.04 -0.67 -4.90 115.29 122.53 3ndn s HIS 304 Ca 0.06 0.58 0.31 0.00 -1.54 0.00 0.00 55.06 54.47 3ndn s HIS 304 Cb 0.10 -3.97 1.82 0.00 0.04 0.00 0.00 32.58 30.57 3ndn s HIS 304 CO 0.40 -3.59 2.18 -1.35 -2.34 0.00 0.00 174.74 170.03 3ndn h PRO 305 N 6.76 0.00 -0.31 2.88 0.11 -1.91 -1.69 132.00 137.84 3ndn h PRO 305 Ca -0.43 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.48 3ndn h PRO 305 Cb 1.20 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 3ndn h PRO 305 CO 0.92 0.00 -0.46 1.04 -0.21 0.00 0.00 178.00 179.29 3ndn n GLN 306 N -3.65 2.22 -0.24 1.05 6.02 -1.26 -4.83 117.38 116.68 3ndn n GLN 306 Ca -0.01 -3.52 0.04 0.00 -0.01 0.00 0.00 57.00 53.51 3ndn n GLN 306 Cb 0.21 -1.86 0.16 0.00 1.02 0.00 0.00 30.24 29.78 3ndn n GLN 306 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3ndn h TYR 307 N 1.35 0.35 -0.51 1.08 3.20 -1.57 -1.54 116.97 119.32 3ndn h TYR 307 Ca 0.17 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 3ndn h TYR 307 Cb 1.28 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.48 3ndn h TYR 307 CO 0.87 -0.02 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.89 3ndn h ASP 308 N 0.33 0.88 -0.45 -2.11 3.32 -1.88 -2.00 116.42 114.50 3ndn h ASP 308 Ca 0.39 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3ndn h ASP 308 Cb 0.61 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3ndn h ASP 308 CO -0.44 0.96 -0.24 0.25 -1.72 0.00 0.00 179.24 178.05 3ndn h LEU 309 N 0.82 1.00 -0.77 1.55 5.85 -1.81 -3.10 115.31 118.84 3ndn h LEU 309 Ca 0.15 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3ndn h LEU 309 Cb 0.55 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3ndn h LEU 309 CO 0.03 1.19 0.44 0.00 -0.34 0.00 0.00 178.44 179.77 3ndn h ALA 310 N 0.84 1.07 0.00 1.25 0.00 -1.01 -1.68 119.26 119.73 3ndn h ALA 310 Ca 0.10 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ndn h ALA 310 Cb 0.83 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ndn h ALA 310 CO 0.07 0.11 -0.15 0.87 0.00 0.00 0.00 179.25 180.15 3ndn h LYS 311 N 0.78 0.00 0.10 0.00 1.79 -1.33 -1.11 116.57 116.79 3ndn h LYS 311 Ca 0.36 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.50 3ndn h LYS 311 Cb 0.27 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3ndn h LYS 311 CO -0.21 0.15 -1.79 0.00 -1.08 0.00 0.00 179.45 176.52 3ndn h ARG 312 N 0.00 0.20 0.00 3.15 3.08 -1.36 -3.42 114.38 116.04 3ndn h ARG 312 Ca -0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3ndn h ARG 312 Cb 0.41 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3ndn h ARG 312 CO 0.02 1.02 -1.13 0.00 -1.07 0.00 0.00 179.97 178.81 3ndn n GLN 313 N -3.37 1.11 -4.50 0.04 10.64 -0.68 -4.97 117.38 115.65 3ndn n GLN 313 Ca -0.24 -0.05 -0.29 0.00 -1.83 0.00 0.00 57.00 54.59 3ndn n GLN 313 Cb 1.05 -1.34 -0.13 0.00 -0.86 0.00 0.00 30.24 28.96 3ndn n GLN 313 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 3ndn s MET 314 N -2.80 1.48 0.00 2.61 -1.94 -0.43 -4.65 119.30 113.57 3ndn s MET 314 Ca 0.02 -1.29 0.26 0.00 -1.71 0.00 0.00 55.69 52.97 3ndn s MET 314 Cb 0.12 -1.90 0.64 0.00 2.01 0.00 0.00 34.83 35.71 3ndn s MET 314 CO 0.71 0.46 1.50 -1.13 -0.01 0.00 0.00 175.02 176.55 3ndn n SER 315 N 1.10 1.60 -3.66 3.03 3.41 -0.36 -4.57 113.62 114.17 3ndn n SER 315 Ca -0.18 -1.33 -0.07 0.00 -0.26 0.00 0.00 58.87 57.04 3ndn n SER 315 Cb 0.53 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 3ndn n SER 315 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ndn s GLY 316 N -2.28 -0.32 0.33 5.00 0.00 -1.26 -5.06 107.32 103.74 3ndn s GLY 316 Ca 0.28 0.32 0.18 0.00 0.00 0.00 0.00 44.72 45.49 3ndn s GLY 316 CO 0.44 0.09 1.53 -1.33 0.00 0.00 0.00 173.10 173.83 3ndn h GLY 317 N 2.00 0.00 0.00 0.20 0.00 -1.92 -3.47 103.07 99.88 3ndn h GLY 317 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3ndn h GLY 317 CO 0.28 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.43 3ndn n GLY 318 N 1.05 -0.63 0.15 4.60 0.00 -1.26 -4.42 105.19 104.67 3ndn n GLY 318 Ca 0.02 -2.17 0.06 0.00 0.00 0.00 0.00 46.02 43.94 3ndn n GLY 318 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ndn n THR 319 N 0.00 1.58 -4.54 2.61 -2.24 -1.26 -4.31 114.28 106.11 3ndn n THR 319 Ca 0.00 -1.74 -0.23 0.00 -2.27 0.00 0.00 64.05 59.81 3ndn n THR 319 Cb 0.00 0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.12 3ndn n THR 319 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ndn s VAL 320 N -2.15 1.03 -0.10 2.28 1.01 -1.26 -1.17 120.40 120.04 3ndn s VAL 320 Ca 0.22 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3ndn s VAL 320 Cb 0.18 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3ndn s VAL 320 CO 0.03 0.32 -0.20 -0.69 0.00 0.00 0.00 175.10 174.56 3ndn s VAL 321 N 0.32 1.78 -0.01 2.92 1.01 -0.61 -4.87 120.40 120.94 3ndn s VAL 321 Ca -0.07 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3ndn s VAL 321 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3ndn s VAL 321 CO 0.02 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 174.61 3ndn s THR 322 N 0.56 3.27 0.10 3.92 2.01 -1.10 -1.12 115.64 123.28 3ndn s THR 322 Ca -0.15 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.84 3ndn s THR 322 Cb -0.17 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.01 3ndn s THR 322 CO 0.05 0.45 0.41 0.72 -0.69 0.00 0.00 174.62 175.56 3ndn s PHE 323 N -0.89 -0.23 -0.01 4.92 -0.12 -0.58 -0.66 117.98 120.42 3ndn s PHE 323 Ca 0.15 0.02 0.05 0.00 -0.05 0.00 0.00 56.93 57.09 3ndn s PHE 323 Cb -0.11 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 3ndn s PHE 323 CO 0.04 -0.66 -0.14 0.00 -0.05 0.00 0.00 175.22 174.42 3ndn s ALA 324 N -3.33 2.73 0.40 1.99 0.00 -0.68 -1.16 121.76 121.71 3ndn s ALA 324 Ca -0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 3ndn s ALA 324 Cb 0.01 -0.93 -0.10 0.00 0.00 0.00 0.00 23.12 22.09 3ndn s ALA 324 CO -0.09 0.58 0.96 -0.51 0.00 0.00 0.00 175.76 176.70 3ndn s LEU 325 N -1.12 4.07 -1.00 0.00 1.43 -0.81 -0.71 118.68 120.53 3ndn s LEU 325 Ca 0.14 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 3ndn s LEU 325 Cb -0.11 -4.37 0.17 0.00 0.03 0.00 0.00 46.19 41.91 3ndn s LEU 325 CO 0.04 -0.30 1.15 -0.62 0.23 0.00 0.00 176.35 176.85 3ndn s ASP 326 N -1.97 6.82 0.18 2.29 2.15 -0.45 -4.43 116.67 121.26 3ndn s ASP 326 Ca 0.58 -2.52 -0.16 0.00 0.43 0.00 0.00 52.55 50.89 3ndn s ASP 326 Cb -0.13 -2.36 0.02 0.00 -0.30 0.00 0.00 42.92 40.16 3ndn s ASP 326 CO 0.17 -0.84 0.47 0.00 -0.17 0.00 0.00 175.17 174.80 3ndn s PRO 328 N -3.87 3.76 0.60 0.00 0.02 -1.26 -4.88 135.00 129.36 3ndn s PRO 328 Ca 0.09 2.29 0.33 0.00 0.02 0.00 0.00 61.00 63.73 3ndn s PRO 328 Cb 0.00 -2.66 1.89 0.00 0.02 0.00 0.00 34.50 33.75 3ndn s PRO 328 CO -0.04 -0.71 2.25 1.49 -0.33 0.00 0.00 177.00 179.66 3ndn h GLU 329 N 2.40 0.00 -0.86 5.54 4.57 -1.99 -2.17 114.58 122.07 3ndn h GLU 329 Ca -0.50 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 57.81 3ndn h GLU 329 Cb 1.26 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.76 3ndn h GLU 329 CO 0.61 0.02 0.47 0.22 -1.18 0.00 0.00 179.01 179.15 3ndn h ASP 330 N 0.00 0.61 -0.23 1.04 3.58 -2.05 -3.07 116.42 116.29 3ndn h ASP 330 Ca -0.00 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3ndn h ASP 330 Cb 0.08 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3ndn h ASP 330 CO 0.00 0.29 0.00 0.55 -2.88 0.00 0.00 179.24 177.20 3ndn n VAL 331 N -4.81 1.32 -0.13 2.25 3.14 -0.84 -4.81 118.33 114.45 3ndn n VAL 331 Ca 0.16 -1.26 -0.10 0.00 -2.96 0.00 0.00 64.34 60.18 3ndn n VAL 331 Cb 0.39 0.30 -0.02 0.00 -1.06 0.00 0.00 33.84 33.45 3ndn n VAL 331 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ndn h ALA 332 N 1.42 0.49 -0.22 1.55 0.00 -1.40 -0.44 119.26 120.66 3ndn h ALA 332 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ndn h ALA 332 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ndn h ALA 332 CO 0.04 0.19 0.14 -0.22 0.00 0.00 0.00 179.25 179.40 3ndn h LYS 333 N 0.46 0.28 -0.52 0.00 3.64 -1.82 -1.04 116.57 117.57 3ndn h LYS 333 Ca 0.11 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ndn h LYS 333 Cb 0.34 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3ndn h LYS 333 CO 0.01 0.18 0.29 0.37 -2.27 0.00 0.00 179.45 178.03 3ndn h GLN 334 N 0.29 0.72 -0.37 1.90 4.15 -1.85 -0.86 115.11 119.08 3ndn h GLN 334 Ca 0.08 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3ndn h GLN 334 Cb -0.02 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3ndn h GLN 334 CO -0.03 0.55 0.20 -0.09 -1.93 0.00 0.00 178.83 177.53 3ndn h ARG 335 N 0.69 0.52 -0.52 1.69 9.65 -0.97 -1.44 114.38 124.00 3ndn h ARG 335 Ca 0.18 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3ndn h ARG 335 Cb 0.04 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3ndn h ARG 335 CO -0.03 0.44 0.28 0.00 2.80 0.00 0.00 179.97 183.46 3ndn h ALA 336 N 1.06 0.66 -0.99 2.80 0.00 -1.00 -1.90 119.26 119.89 3ndn h ALA 336 Ca 0.13 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ndn h ALA 336 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3ndn h ALA 336 CO -0.02 0.19 0.65 0.74 0.00 0.00 0.00 179.25 180.81 3ndn h PHE 337 N 0.69 1.23 -0.65 0.00 -1.00 -1.07 -2.26 116.94 113.87 3ndn h PHE 337 Ca 0.18 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 3ndn h PHE 337 Cb 0.06 -0.41 -0.03 0.00 3.61 0.00 0.00 35.95 39.17 3ndn h PHE 337 CO -0.01 0.74 0.38 1.49 -1.61 0.00 0.00 178.31 179.29 3ndn h GLU 338 N 1.30 0.90 0.09 1.51 4.81 -0.88 -1.95 114.58 120.36 3ndn h GLU 338 Ca 0.38 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3ndn h GLU 338 Cb -0.07 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3ndn h GLU 338 CO -0.10 0.66 -0.04 0.28 -0.73 0.00 0.00 179.01 179.07 3ndn h VAL 339 N 0.89 0.97 -0.43 0.32 2.07 -0.91 -2.30 116.25 116.86 3ndn h VAL 339 Ca 0.23 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3ndn h VAL 339 Cb 0.01 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3ndn h VAL 339 CO -0.04 0.05 0.12 -0.07 0.02 0.00 0.00 177.57 177.65 3ndn h LEU 340 N -0.21 0.08 -2.04 2.57 4.07 -1.37 -2.65 115.31 115.76 3ndn h LEU 340 Ca -0.01 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 3ndn h LEU 340 Cb 0.17 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 3ndn h LEU 340 CO 0.02 0.08 -0.00 0.44 -1.08 0.00 0.00 178.44 177.90 3ndn h ASP 341 N 0.27 0.00 1.03 -0.43 3.32 -1.24 -2.89 116.42 116.48 3ndn h ASP 341 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ndn h ASP 341 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3ndn h ASP 341 CO -0.24 0.00 -0.54 0.50 -1.72 0.00 0.00 179.24 177.24 3ndn h LYS 342 N 0.00 0.00 -6.65 3.56 3.64 -1.04 -3.47 116.57 112.61 3ndn h LYS 342 Ca -0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 3ndn h LYS 342 Cb 0.32 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.23 3ndn h LYS 342 CO 0.00 0.00 0.58 -1.33 -2.27 0.00 0.00 179.45 176.43 3ndn n MET 343 N -2.25 2.08 -0.00 1.90 2.81 -1.09 -4.70 117.12 115.87 3ndn n MET 343 Ca 0.03 0.74 0.02 0.00 -1.81 0.00 0.00 57.70 56.68 3ndn n MET 343 Cb 0.46 -2.37 -0.03 0.00 -0.71 0.00 0.00 33.22 30.57 3ndn n MET 343 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3ndn n ARG 344 N 1.53 1.59 -0.05 0.03 1.74 -1.26 -4.85 116.66 115.39 3ndn n ARG 344 Ca 0.09 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.04 3ndn n ARG 344 Cb 0.33 -0.98 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 3ndn n ARG 344 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3ndn n LEU 345 N -1.49 0.90 -4.72 0.55 7.94 -1.26 -5.01 117.00 113.91 3ndn n LEU 345 Ca -0.00 0.15 -0.42 0.00 -1.11 0.00 0.00 56.01 54.63 3ndn n LEU 345 Cb 0.08 -0.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.65 3ndn n LEU 345 CO 0.08 0.09 0.95 -0.63 -1.11 0.00 0.00 177.39 176.76 3ndn s ILE 346 N -2.23 3.57 0.25 1.96 1.01 -1.26 -4.95 121.20 119.54 3ndn s ILE 346 Ca -0.15 1.20 -0.18 0.00 0.00 0.00 0.00 60.65 61.52 3ndn s ILE 346 Cb 0.05 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 3ndn s ILE 346 CO 0.19 0.14 0.73 -1.81 0.00 0.00 0.00 174.94 174.18 3ndn s ASP 347 N 0.68 6.99 -0.39 3.58 1.01 -1.14 -4.87 116.67 122.52 3ndn s ASP 347 Ca 0.58 1.38 -0.29 0.00 0.71 0.00 0.00 52.55 54.93 3ndn s ASP 347 Cb -0.34 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.21 3ndn s ASP 347 CO 0.33 -0.03 1.15 -0.63 0.21 0.00 0.00 175.17 176.20 3ndn s ILE 348 N -1.64 4.30 -0.03 0.77 1.01 -1.26 -1.32 121.20 123.02 3ndn s ILE 348 Ca 0.46 1.41 -0.29 0.00 0.00 0.00 0.00 60.65 62.23 3ndn s ILE 348 Cb -0.15 -4.46 0.09 0.00 0.01 0.00 0.00 42.46 37.94 3ndn s ILE 348 CO 0.20 -0.74 0.77 -0.55 0.00 0.00 0.00 174.94 174.62 3ndn s SER 349 N 2.27 -0.54 0.05 3.58 0.15 -0.64 -4.92 113.70 113.65 3ndn s SER 349 Ca 0.49 0.42 0.27 0.00 0.70 0.00 0.00 55.95 57.82 3ndn s SER 349 Cb -0.10 0.47 0.80 0.00 -1.71 0.00 0.00 66.02 65.48 3ndn s SER 349 CO 0.25 -0.61 1.65 0.59 1.20 0.00 0.00 173.24 176.31 3ndn n ASN 350 N 0.49 0.39 -4.73 5.45 3.02 -1.26 -4.16 115.26 114.46 3ndn n ASN 350 Ca -0.15 0.21 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 3ndn n ASN 350 Cb 0.59 -0.20 0.11 0.00 -0.61 0.00 0.00 39.78 39.67 3ndn n ASN 350 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ndn s ASN 351 N -3.42 4.24 0.19 6.41 3.84 -1.26 -5.06 114.94 119.88 3ndn s ASN 351 Ca 0.11 0.57 0.01 0.00 0.21 0.00 0.00 52.86 53.76 3ndn s ASN 351 Cb 0.17 -0.98 -0.05 0.00 -0.55 0.00 0.00 41.25 39.84 3ndn s ASN 351 CO 0.62 -2.04 0.04 -0.76 -2.79 0.00 0.00 177.10 172.17 3ndn s LEU 352 N -5.57 1.92 -0.77 3.21 1.43 -1.26 -4.90 118.68 112.73 3ndn s LEU 352 Ca 0.64 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3ndn s LEU 352 Cb -0.09 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.15 3ndn s LEU 352 CO 0.49 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3ndn n GLY 353 N -0.27 0.34 3.72 -3.19 0.00 -1.26 -4.62 105.19 99.90 3ndn n GLY 353 Ca -0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3ndn n GLY 353 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ndn s ASP 354 N -2.71 5.18 0.52 1.61 -1.08 -1.26 -3.51 116.67 115.42 3ndn s ASP 354 Ca 0.00 -0.17 0.21 0.00 -0.52 0.00 0.00 52.55 52.07 3ndn s ASP 354 Cb 0.00 -1.27 1.39 0.00 -1.46 0.00 0.00 42.92 41.58 3ndn s ASP 354 CO 0.00 0.14 2.13 0.00 0.52 0.00 0.00 175.17 177.96 3ndn h ALA 355 N 3.09 1.69 -2.51 3.66 0.00 -1.29 -3.37 119.26 120.53 3ndn h ALA 355 Ca -0.47 -0.06 -0.54 0.00 0.00 0.00 0.00 54.91 53.84 3ndn h ALA 355 Cb 1.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3ndn h ALA 355 CO 0.61 0.08 0.28 0.15 0.00 0.00 0.00 179.25 180.37 3ndn s LYS 356 N -4.72 4.53 0.32 0.00 1.02 -1.26 -0.94 119.74 118.70 3ndn s LYS 356 Ca -0.04 1.26 -0.27 0.00 0.02 0.00 0.00 55.97 56.93 3ndn s LYS 356 Cb 0.16 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.93 3ndn s LYS 356 CO 0.63 0.02 1.09 -1.12 -0.92 0.00 0.00 175.35 175.05 3ndn s SER 357 N 0.82 7.05 0.06 2.83 0.01 -1.26 -4.51 113.70 118.71 3ndn s SER 357 Ca 0.47 2.21 0.02 0.00 1.31 0.00 0.00 55.95 59.96 3ndn s SER 357 Cb -0.20 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 3ndn s SER 357 CO 0.25 -0.29 -0.08 -0.76 0.41 0.00 0.00 173.24 172.77 3ndn s LEU 358 N -1.89 2.33 0.05 2.44 1.43 -0.82 -2.88 118.68 119.35 3ndn s LEU 358 Ca 0.49 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3ndn s LEU 358 Cb -0.29 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 3ndn s LEU 358 CO 0.37 -0.27 -0.11 0.54 0.23 0.00 0.00 176.35 177.11 3ndn s VAL 359 N -2.02 0.82 0.06 -1.59 0.11 -0.44 -1.02 120.40 116.31 3ndn s VAL 359 Ca -0.03 -1.09 -0.14 0.00 -2.93 0.00 0.00 61.98 57.79 3ndn s VAL 359 Cb -0.06 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 3ndn s VAL 359 CO -0.01 -0.23 0.32 0.28 -3.33 0.00 0.00 175.10 172.13 3ndn s THR 360 N -1.18 0.08 -0.54 5.04 -1.32 -0.95 -1.62 115.64 115.16 3ndn s THR 360 Ca -0.05 -0.69 -0.05 0.00 -1.21 0.00 0.00 61.69 59.69 3ndn s THR 360 Cb -0.09 -1.02 0.14 0.00 -1.51 0.00 0.00 72.50 70.02 3ndn s THR 360 CO 0.01 -0.38 0.37 -2.28 -2.21 0.00 0.00 174.62 170.13 3ndn s HIS 361 N -2.89 3.50 0.27 9.09 2.46 -1.26 -2.10 115.29 124.35 3ndn s HIS 361 Ca -0.03 -2.38 -0.00 0.00 0.47 0.00 0.00 55.06 53.12 3ndn s HIS 361 Cb 0.00 -3.32 0.54 0.00 -0.13 0.00 0.00 32.58 29.67 3ndn s HIS 361 CO -0.05 -0.93 1.80 -1.35 -2.47 0.00 0.00 174.74 171.73 3ndn h PRO 362 N 7.72 0.76 0.00 2.88 0.11 -1.96 -2.85 132.00 138.66 3ndn h PRO 362 Ca -0.09 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3ndn h PRO 362 Cb 1.02 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ndn h PRO 362 CO 0.75 0.50 -0.01 0.00 -0.21 0.00 0.00 178.00 179.03 3ndn h ALA 363 N 1.54 1.56 -0.01 -0.75 0.00 -1.86 -1.24 119.26 118.50 3ndn h ALA 363 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3ndn h ALA 363 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ndn h ALA 363 CO -0.31 0.01 -0.14 0.25 0.00 0.00 0.00 179.25 179.06 3ndn n THR 364 N -3.90 0.00 0.00 0.00 -2.24 -1.09 -3.03 114.28 104.02 3ndn n THR 364 Ca -0.03 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3ndn n THR 364 Cb 0.09 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3ndn n THR 364 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ndn n THR 365 N 0.23 0.00 -0.22 4.28 -2.24 -0.98 -4.74 114.28 110.60 3ndn n THR 365 Ca 0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.91 3ndn n THR 365 Cb 0.29 -0.02 0.33 0.00 -2.10 0.00 0.00 70.33 68.83 3ndn n THR 365 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3ndn h THR 366 N 0.00 1.00 -0.34 4.28 1.35 -1.81 -2.97 112.91 114.42 3ndn h THR 366 Ca 0.00 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 3ndn h THR 366 Cb 0.00 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.53 3ndn h THR 366 CO 0.00 0.15 0.01 1.41 -0.25 0.00 0.00 175.52 176.84 3ndn n HIS 367 N -4.49 1.20 0.12 4.73 8.25 -0.51 -4.43 115.22 120.09 3ndn n HIS 367 Ca 0.12 -0.93 -0.01 0.00 -0.26 0.00 0.00 57.72 56.65 3ndn n HIS 367 Cb 0.26 -0.38 0.04 0.00 1.12 0.00 0.00 29.99 31.03 3ndn n HIS 367 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3ndn h ARG 368 N 2.09 0.00 0.44 -0.41 1.12 -1.43 -3.33 114.38 112.85 3ndn h ARG 368 Ca 0.03 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 3ndn h ARG 368 Cb 1.59 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.55 3ndn h ARG 368 CO 0.30 0.67 -0.21 0.00 -3.11 0.00 0.00 179.97 177.62 3ndn h ALA 369 N 1.33 -0.58 0.00 2.80 0.00 -1.79 -3.19 119.26 117.83 3ndn h ALA 369 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ndn h ALA 369 Cb 1.42 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3ndn h ALA 369 CO 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 178.52 3ndn n MET 370 N -5.34 0.13 -0.32 0.00 0.00 -1.25 -4.96 117.12 105.38 3ndn n MET 370 Ca -0.11 0.55 0.04 0.00 0.00 0.00 0.00 57.70 58.18 3ndn n MET 370 Cb 0.25 -1.87 -0.01 0.00 0.00 0.00 0.00 33.22 31.59 3ndn n MET 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ndn n GLY 371 N -0.93 -1.72 0.30 3.17 0.00 -1.21 -3.39 105.19 101.42 3ndn n GLY 371 Ca -0.00 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.63 3ndn n GLY 371 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ndn h PRO 372 N -0.30 0.69 -0.13 1.61 0.13 -1.92 -1.95 132.00 130.14 3ndn h PRO 372 Ca -0.01 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3ndn h PRO 372 Cb 0.30 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 3ndn h PRO 372 CO 0.01 0.46 -0.00 0.93 -0.23 0.00 0.00 178.00 179.16 3ndn h GLU 373 N 0.71 0.23 -0.62 0.86 3.07 -2.00 -0.63 114.58 116.21 3ndn h GLU 373 Ca 0.42 -0.07 0.05 0.00 -0.50 0.00 0.00 59.36 59.25 3ndn h GLU 373 Cb 0.48 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 3ndn h GLU 373 CO -0.29 0.47 0.34 0.78 -1.40 0.00 0.00 179.01 178.91 3ndn h GLY 374 N -0.04 0.90 0.95 -3.84 0.00 -1.53 -2.45 103.07 97.06 3ndn h GLY 374 Ca 0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3ndn h GLY 374 CO 0.01 0.16 -0.16 3.21 0.00 0.00 0.00 176.54 179.76 3ndn h ARG 375 N 0.65 0.69 0.00 4.80 3.08 -1.28 -3.11 114.38 119.21 3ndn h ARG 375 Ca 0.27 -0.30 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3ndn h ARG 375 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3ndn h ARG 375 CO -0.16 0.90 -0.22 0.00 -1.07 0.00 0.00 179.97 179.42 3ndn h ALA 376 N 0.78 1.34 0.00 0.04 0.00 -1.03 -0.51 119.26 119.87 3ndn h ALA 376 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3ndn h ALA 376 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ndn h ALA 376 CO 0.05 0.27 -0.28 0.00 0.00 0.00 0.00 179.25 179.29 3ndn h ALA 377 N 1.78 1.19 -0.02 0.00 0.00 -1.36 -2.79 119.26 118.05 3ndn h ALA 377 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ndn h ALA 377 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ndn h ALA 377 CO 0.03 0.35 -0.05 0.44 0.00 0.00 0.00 179.25 180.02 3ndn n ILE 378 N -3.69 0.00 -0.68 0.00 -5.35 -1.03 -5.00 119.36 103.61 3ndn n ILE 378 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 3ndn n ILE 378 Cb 0.39 1.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.62 3ndn n ILE 378 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ndn n GLY 379 N 0.99 0.61 3.46 3.28 0.00 -0.75 -4.98 105.19 107.80 3ndn n GLY 379 Ca 0.10 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3ndn n GLY 379 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ndn s LEU 380 N 0.00 4.65 0.79 0.99 2.96 -0.27 -4.98 118.68 122.82 3ndn s LEU 380 Ca 0.00 -1.56 -0.10 0.00 -0.22 0.00 0.00 54.13 52.25 3ndn s LEU 380 Cb 0.00 -2.42 0.10 0.00 0.50 0.00 0.00 46.19 44.37 3ndn s LEU 380 CO 0.00 -1.26 1.13 -0.83 -1.32 0.00 0.00 176.35 174.07 3ndn s GLY 381 N 3.77 1.67 0.18 7.98 0.00 -1.26 -4.47 107.32 115.19 3ndn s GLY 381 Ca 0.29 -0.92 0.19 0.00 0.00 0.00 0.00 44.72 44.28 3ndn s GLY 381 CO -0.01 -0.41 1.58 1.22 0.00 0.00 0.00 173.10 175.48 3ndn n ASP 382 N -3.22 0.42 -1.46 1.64 8.00 -1.26 -2.75 116.55 117.92 3ndn n ASP 382 Ca 0.10 0.62 0.10 0.00 0.71 0.00 0.00 54.79 56.32 3ndn n ASP 382 Cb 0.60 -0.71 0.34 0.00 -0.02 0.00 0.00 41.12 41.33 3ndn n ASP 382 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ndn n GLY 383 N -0.34 2.51 3.74 0.44 0.00 -1.26 -3.60 105.19 106.67 3ndn n GLY 383 Ca 0.02 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3ndn n GLY 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ndn s VAL 384 N -1.49 5.04 0.02 1.61 1.01 -1.11 -1.92 120.40 123.57 3ndn s VAL 384 Ca 0.49 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.73 3ndn s VAL 384 Cb 0.29 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3ndn s VAL 384 CO 0.28 0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.83 3ndn s VAL 385 N 0.32 1.63 -0.08 2.92 1.01 -0.31 -4.34 120.40 121.55 3ndn s VAL 385 Ca 0.31 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3ndn s VAL 385 Cb -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3ndn s VAL 385 CO 0.15 0.28 -0.21 -0.60 0.00 0.00 0.00 175.10 174.72 3ndn s ARG 386 N -0.95 2.60 -0.09 2.72 3.52 -0.89 -1.52 118.95 124.34 3ndn s ARG 386 Ca 0.07 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 3ndn s ARG 386 Cb -0.08 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 3ndn s ARG 386 CO 0.01 0.17 -0.20 0.42 -0.81 0.00 0.00 175.30 174.89 3ndn s ILE 387 N 0.33 2.43 -0.29 4.11 1.01 -0.27 -2.25 121.20 126.27 3ndn s ILE 387 Ca -0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 3ndn s ILE 387 Cb -0.17 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3ndn s ILE 387 CO 0.07 0.55 0.12 -0.55 0.00 0.00 0.00 174.94 175.13 3ndn s SER 388 N 0.13 5.39 -0.20 3.58 0.15 -0.19 -1.57 113.70 120.98 3ndn s SER 388 Ca -0.10 -0.42 -0.18 0.00 0.70 0.00 0.00 55.95 55.95 3ndn s SER 388 Cb -0.16 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 3ndn s SER 388 CO 0.06 -0.13 0.51 -0.69 1.20 0.00 0.00 173.24 174.19 3ndn s VAL 389 N 1.61 5.11 0.00 4.45 1.01 -0.32 -1.93 120.40 130.33 3ndn s VAL 389 Ca 0.05 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.96 3ndn s VAL 389 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.38 3ndn s VAL 389 CO 0.05 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3ndn n GLY 390 N 3.91 1.77 0.86 4.51 0.00 -1.26 -4.88 105.19 110.10 3ndn n GLY 390 Ca -0.05 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.30 3ndn n GLY 390 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ndn n LEU 391 N 0.00 2.92 -4.68 0.99 4.77 -0.11 -4.54 117.00 116.35 3ndn n LEU 391 Ca 0.00 -1.39 -0.32 0.00 -0.03 0.00 0.00 56.01 54.27 3ndn n LEU 391 Cb 0.00 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.10 3ndn n LEU 391 CO 0.00 0.61 0.70 -1.61 -1.33 0.00 0.00 177.39 175.77 3ndn s GLU 392 N -1.32 1.17 0.14 3.23 8.01 -1.26 -4.92 118.70 123.76 3ndn s GLU 392 Ca 0.28 1.61 -0.34 0.00 0.01 0.00 0.00 54.97 56.52 3ndn s GLU 392 Cb 0.17 -1.74 -0.14 0.00 -4.31 0.00 0.00 34.13 28.11 3ndn s GLU 392 CO 0.24 -2.53 1.53 -3.47 0.01 0.00 0.00 175.26 171.04 3ndn n ASP 393 N -4.00 2.77 -0.21 -0.19 2.03 -1.26 -4.89 116.55 110.81 3ndn n ASP 393 Ca 0.12 1.09 0.03 0.00 0.52 0.00 0.00 54.79 56.56 3ndn n ASP 393 Cb 0.52 -1.37 0.29 0.00 -0.72 0.00 0.00 41.12 39.83 3ndn n ASP 393 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3ndn h THR 394 N 3.55 1.11 -0.08 5.18 2.02 -1.98 -2.03 112.91 120.70 3ndn h THR 394 Ca -0.45 -0.31 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 3ndn h THR 394 Cb 1.27 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3ndn h THR 394 CO 0.86 0.17 -0.61 0.44 0.37 0.00 0.00 175.52 176.75 3ndn h ASP 395 N 0.91 0.30 -0.71 4.18 3.32 -1.99 -1.89 116.42 120.54 3ndn h ASP 395 Ca 0.30 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3ndn h ASP 395 Cb 0.05 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3ndn h ASP 395 CO -0.09 0.83 0.16 0.44 -1.72 0.00 0.00 179.24 178.87 3ndn h ASP 396 N 0.19 1.08 -0.16 6.45 3.32 -1.81 -1.49 116.42 124.00 3ndn h ASP 396 Ca -0.01 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3ndn h ASP 396 Cb 1.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3ndn h ASP 396 CO 0.10 1.04 0.02 -0.07 -1.72 0.00 0.00 179.24 178.60 3ndn h LEU 397 N 1.08 0.26 -0.89 1.55 3.38 -1.23 -2.69 115.31 116.77 3ndn h LEU 397 Ca 0.22 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3ndn h LEU 397 Cb 0.38 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3ndn h LEU 397 CO 0.00 0.47 0.58 0.40 0.09 0.00 0.00 178.44 179.98 3ndn h ILE 398 N 0.04 1.18 -0.94 1.22 2.04 -1.30 -2.01 117.51 117.73 3ndn h ILE 398 Ca 0.05 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ndn h ILE 398 Cb 0.33 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 3ndn h ILE 398 CO 0.00 0.21 0.60 0.00 0.00 0.00 0.00 178.15 178.96 3ndn h ALA 399 N 1.35 1.20 -0.27 1.87 0.00 -1.25 0.23 119.26 122.38 3ndn h ALA 399 Ca 0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3ndn h ALA 399 Cb -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3ndn h ALA 399 CO -0.10 0.63 0.03 0.22 0.00 0.00 0.00 179.25 180.03 3ndn h ASP 400 N 1.29 0.45 -0.47 0.00 3.58 -1.11 -2.36 116.42 117.80 3ndn h ASP 400 Ca 0.34 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 3ndn h ASP 400 Cb -0.10 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 3ndn h ASP 400 CO -0.07 0.61 0.12 0.40 -2.88 0.00 0.00 179.24 177.42 3ndn h ILE 401 N 0.27 1.24 -0.80 2.25 2.04 -1.19 -1.64 117.51 119.68 3ndn h ILE 401 Ca 0.08 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3ndn h ILE 401 Cb 0.36 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3ndn h ILE 401 CO 0.01 0.29 0.42 -0.78 0.00 0.00 0.00 178.15 178.09 3ndn h ASP 402 N 0.63 1.02 -0.34 1.72 3.58 -0.94 -2.13 116.42 119.97 3ndn h ASP 402 Ca 0.15 -0.11 -0.15 0.00 0.42 0.00 0.00 57.03 57.34 3ndn h ASP 402 Cb 0.32 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 3ndn h ASP 402 CO 0.00 0.85 -0.34 -0.09 -2.88 0.00 0.00 179.24 176.78 3ndn h ARG 403 N 1.12 0.88 0.00 0.28 2.43 -1.33 -2.88 114.38 114.88 3ndn h ARG 403 Ca 0.28 -0.43 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 3ndn h ARG 403 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3ndn h ARG 403 CO -0.04 1.08 -0.20 0.00 -1.51 0.00 0.00 179.97 179.30 3ndn h ALA 404 N 0.87 1.60 0.00 2.80 0.00 -1.03 -3.00 119.26 120.51 3ndn h ALA 404 Ca 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ndn h ALA 404 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ndn h ALA 404 CO 0.08 0.25 -0.56 -0.07 0.00 0.00 0.00 179.25 178.96 3ndn h LEU 405 N 0.00 0.00 -0.99 0.00 3.38 -1.31 -3.40 115.31 112.99 3ndn h LEU 405 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ndn h LEU 405 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ndn h LEU 405 CO 0.03 0.12 0.00 -1.20 0.09 0.00 0.00 178.44 177.48