#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 0.87 2.46 0.24 -1.26 -4.29 118.33 116.36 3ndn n VAL 7 Ca 0.00 -0.04 0.10 0.00 -2.04 0.00 0.00 64.34 62.37 3ndn n VAL 7 Cb 0.00 -0.04 0.06 0.00 -1.47 0.00 0.00 33.84 32.39 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 -1.19 1.79 -2.45 7.34 1.74 -1.26 -4.92 116.66 117.70 3ndn n ARG 8 Ca 0.10 -1.54 -0.43 0.00 -0.77 0.00 0.00 57.85 55.21 3ndn n ARG 8 Cb 0.31 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 3ndn n ARG 8 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ndn s THR 9 N -1.87 4.18 0.80 0.55 -4.23 -1.26 -5.03 115.64 108.79 3ndn s THR 9 Ca 0.22 1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 61.95 3ndn s THR 9 Cb 0.17 -4.20 0.07 0.00 1.34 0.00 0.00 72.50 69.88 3ndn s THR 9 CO 0.32 -0.50 1.09 -2.16 -0.54 0.00 0.00 174.62 172.83 3ndn s PRO 10 N 4.14 2.02 -0.04 3.99 0.04 -1.26 -4.95 135.00 138.93 3ndn s PRO 10 Ca 0.55 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.00 3ndn s PRO 10 Cb -0.16 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3ndn s PRO 10 CO 0.23 -1.68 1.73 -1.59 0.04 0.00 0.00 177.00 175.73 3ndn s LYS 11 N -5.10 4.15 0.30 4.56 0.00 -0.22 -4.96 119.74 118.48 3ndn s LYS 11 Ca 0.61 2.28 -0.29 0.00 0.00 0.00 0.00 55.97 58.56 3ndn s LYS 11 Cb -0.15 -4.03 -0.10 0.00 0.00 0.00 0.00 37.83 33.55 3ndn s LYS 11 CO 0.55 -0.90 1.21 0.00 0.00 0.00 0.00 175.35 176.21 3ndn s ALA 12 N 4.22 3.46 0.25 0.59 0.00 -1.26 -4.53 121.76 124.48 3ndn s ALA 12 Ca 0.77 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.84 3ndn s ALA 12 Cb -0.35 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3ndn s ALA 12 CO 0.32 -0.41 0.41 -0.51 0.00 0.00 0.00 175.76 175.57 3ndn s LEU 13 N -1.60 4.22 0.79 0.00 1.43 -1.26 -5.09 118.68 117.17 3ndn s LEU 13 Ca 0.47 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.70 3ndn s LEU 13 Cb -0.36 -3.06 0.07 0.00 0.03 0.00 0.00 46.19 42.87 3ndn s LEU 13 CO 0.47 -0.11 1.19 -2.84 0.23 0.00 0.00 176.35 175.29 3ndn s PRO 14 N -3.81 1.78 0.35 1.29 0.02 -1.26 -4.95 135.00 128.42 3ndn s PRO 14 Ca 0.37 1.68 -0.28 0.00 0.02 0.00 0.00 61.00 62.78 3ndn s PRO 14 Cb -0.10 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 3ndn s PRO 14 CO 0.31 -2.09 1.44 -0.51 -0.33 0.00 0.00 177.00 175.82 3ndn s ASP 15 N -2.29 6.48 0.00 2.53 1.01 -1.26 -3.60 116.67 119.55 3ndn s ASP 15 Ca 0.72 2.92 0.00 0.00 0.71 0.00 0.00 52.55 56.90 3ndn s ASP 15 Cb -0.27 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.00 3ndn s ASP 15 CO 0.50 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.72 3ndn n GLY 16 N 0.78 0.60 3.76 0.21 0.00 -1.26 -5.03 105.19 104.26 3ndn n GLY 16 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.47 2.73 0.76 1.61 -7.23 -1.24 -5.02 120.40 109.54 3ndn s VAL 17 Ca 0.00 0.50 -0.08 0.00 -1.81 0.00 0.00 61.98 60.59 3ndn s VAL 17 Cb 0.00 -3.23 0.09 0.00 0.56 0.00 0.00 36.38 33.80 3ndn s VAL 17 CO 0.00 -0.05 1.08 -0.94 -0.31 0.00 0.00 175.10 174.88 3ndn s SER 18 N -1.41 4.44 0.27 4.85 1.04 -1.26 -4.87 113.70 116.76 3ndn s SER 18 Ca 0.71 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 3ndn s SER 18 Cb -0.31 -0.87 0.52 0.00 0.10 0.00 0.00 66.02 65.46 3ndn s SER 18 CO 0.36 -1.85 1.79 -0.61 0.98 0.00 0.00 173.24 173.90 3ndn h GLN 19 N -0.82 0.72 -0.35 4.02 4.15 -1.95 -1.88 115.11 119.00 3ndn h GLN 19 Ca -0.44 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 58.96 3ndn h GLN 19 Cb 1.30 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 3ndn h GLN 19 CO 0.55 0.48 0.19 0.00 -1.93 0.00 0.00 178.83 178.12 3ndn h ALA 20 N 1.54 0.44 -0.61 3.38 0.00 -1.99 -1.84 119.26 120.18 3ndn h ALA 20 Ca 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 3ndn h ALA 20 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ndn h ALA 20 CO -0.32 -0.17 0.07 1.15 0.00 0.00 0.00 179.25 179.98 3ndn h THR 21 N 0.39 1.26 -0.36 0.00 2.02 -1.78 -2.90 112.91 111.53 3ndn h THR 21 Ca 0.14 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 3ndn h THR 21 Cb 0.03 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3ndn h THR 21 CO -0.08 0.38 -0.14 0.58 0.37 0.00 0.00 175.52 176.62 3ndn h VAL 22 N 0.94 1.25 -0.05 3.16 2.07 -1.24 -2.17 116.25 120.20 3ndn h VAL 22 Ca 0.18 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 3ndn h VAL 22 Cb 0.45 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3ndn h VAL 22 CO 0.02 0.38 -0.22 1.23 0.02 0.00 0.00 177.57 179.00 3ndn h GLY 23 N 0.97 0.09 0.64 2.17 0.00 -1.14 0.43 103.07 106.24 3ndn h GLY 23 Ca 0.10 -0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.15 3ndn h GLY 23 CO 0.04 0.05 -1.06 -2.08 0.00 0.00 0.00 176.54 173.49 3ndn h VAL 24 N 0.08 1.32 0.00 4.60 2.07 -1.39 -3.11 116.25 119.81 3ndn h VAL 24 Ca 0.01 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3ndn h VAL 24 Cb 0.44 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3ndn h VAL 24 CO 0.03 0.71 -0.06 -2.11 0.02 0.00 0.00 177.57 176.16 3ndn n ARG 25 N -4.04 1.21 -2.62 1.57 1.85 -0.84 -4.95 116.66 108.84 3ndn n ARG 25 Ca -0.18 -1.14 -0.36 0.00 -1.00 0.00 0.00 57.85 55.17 3ndn n ARG 25 Cb 0.86 -0.79 -0.05 0.00 -1.05 0.00 0.00 32.46 31.43 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 -0.79 2.69 0.00 2.89 0.00 0.14 -4.30 107.32 107.95 3ndn s GLY 26 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3ndn s GLY 26 CO 0.00 1.03 0.00 0.61 0.00 0.00 0.00 173.10 174.74 3ndn n GLY 27 N 0.21 0.57 3.77 0.20 0.00 -1.26 -4.39 105.19 104.29 3ndn n GLY 27 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.11 3.95 -0.50 1.61 1.00 -1.26 -4.45 119.30 119.54 3ndn s MET 28 Ca 0.00 1.93 0.03 0.00 0.00 0.00 0.00 55.69 57.65 3ndn s MET 28 Cb 0.00 -2.64 0.16 0.00 0.00 0.00 0.00 34.83 32.35 3ndn s MET 28 CO 0.00 -0.43 0.35 -0.51 0.00 0.00 0.00 175.02 174.42 3ndn s LEU 29 N -2.60 2.83 0.41 -0.03 1.43 -1.26 -1.06 118.68 118.40 3ndn s LEU 29 Ca 0.59 -3.12 -0.24 0.00 -1.03 0.00 0.00 54.13 50.33 3ndn s LEU 29 Cb -0.33 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 3ndn s LEU 29 CO 0.41 -0.18 1.11 -0.13 0.23 0.00 0.00 176.35 177.78 3ndn s ARG 30 N -0.25 4.07 0.99 1.70 0.52 -1.26 -4.93 118.95 119.79 3ndn s ARG 30 Ca 0.25 1.67 -0.17 0.00 -0.52 0.00 0.00 55.73 56.96 3ndn s ARG 30 Cb -0.09 -2.57 0.22 0.00 0.52 0.00 0.00 34.95 33.02 3ndn s ARG 30 CO -0.11 -0.26 1.34 -1.54 0.02 0.00 0.00 175.30 174.75 3ndn s SER 31 N -1.38 2.87 0.67 0.23 1.04 -1.26 -4.93 113.70 110.94 3ndn s SER 31 Ca 0.58 0.20 0.37 0.00 0.48 0.00 0.00 55.95 57.58 3ndn s SER 31 Cb -0.26 -0.17 2.03 0.00 0.10 0.00 0.00 66.02 67.72 3ndn s SER 31 CO 0.32 -2.88 2.15 1.23 0.98 0.00 0.00 173.24 175.04 3ndn h GLY 32 N -1.75 0.00 2.00 7.32 0.00 -2.02 -2.30 103.07 106.32 3ndn h GLY 32 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3ndn h GLY 32 CO 0.34 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.57 3ndn n PHE 33 N -3.00 0.86 -2.94 5.60 3.72 -1.26 -4.96 117.46 115.48 3ndn n PHE 33 Ca -0.02 0.26 -0.22 0.00 -0.05 0.00 0.00 57.45 57.42 3ndn n PHE 33 Cb 0.23 -0.93 0.02 0.00 -0.94 0.00 0.00 39.48 37.86 3ndn n PHE 33 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3ndn n GLU 34 N -2.22 -4.06 -1.58 -1.08 1.02 -0.87 -4.96 120.64 106.90 3ndn n GLU 34 Ca 0.05 0.85 -0.51 0.00 -0.02 0.00 0.00 57.16 57.53 3ndn n GLU 34 Cb 0.39 -5.65 -0.06 0.00 -0.02 0.00 0.00 31.44 26.10 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 -3.77 1.10 0.03 3.49 0.00 -1.26 -4.95 120.64 115.29 3ndn n GLU 35 Ca -0.12 0.40 -0.13 0.00 0.00 0.00 0.00 57.16 57.31 3ndn n GLU 35 Cb 0.62 -1.99 -0.08 0.00 0.00 0.00 0.00 31.44 29.98 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 3.13 1.14 -3.65 3.84 2.02 -2.02 -3.45 112.91 113.92 3ndn h THR 36 Ca -0.47 -0.57 -0.50 0.00 0.77 0.00 0.00 66.41 65.65 3ndn h THR 36 Cb 1.34 1.52 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 3ndn h THR 36 CO 0.75 0.14 0.10 0.00 0.37 0.00 0.00 175.52 176.88 3ndn s ALA 37 N -5.20 3.37 0.08 6.16 0.00 -1.26 -5.04 121.76 119.87 3ndn s ALA 37 Ca -0.15 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 3ndn s ALA 37 Cb 0.04 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.43 3ndn s ALA 37 CO 0.66 -0.03 1.31 -1.21 0.00 0.00 0.00 175.76 176.48 3ndn s GLU 38 N -3.94 4.36 0.57 0.00 8.01 -1.26 -5.01 118.70 121.44 3ndn s GLU 38 Ca 0.50 1.93 -0.18 0.00 0.01 0.00 0.00 54.97 57.23 3ndn s GLU 38 Cb -0.10 -3.33 -0.04 0.00 -4.31 0.00 0.00 34.13 26.34 3ndn s GLU 38 CO 0.33 -0.38 1.10 0.00 0.01 0.00 0.00 175.26 176.32 3ndn s ALA 39 N 1.24 2.66 -0.29 5.21 0.00 -1.26 -5.06 121.76 124.26 3ndn s ALA 39 Ca 0.62 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 3ndn s ALA 39 Cb -0.33 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3ndn s ALA 39 CO 0.29 -0.85 0.01 1.41 0.00 0.00 0.00 175.76 176.62 3ndn s MET 40 N -3.61 2.59 -1.00 0.00 1.75 -1.26 -4.73 119.30 113.05 3ndn s MET 40 Ca 0.69 -1.16 -0.12 0.00 -1.25 0.00 0.00 55.69 53.85 3ndn s MET 40 Cb -0.21 -3.19 0.23 0.00 2.84 0.00 0.00 34.83 34.50 3ndn s MET 40 CO 0.31 -0.56 1.02 0.71 -0.65 0.00 0.00 175.02 175.85 3ndn s TYR 41 N 1.31 3.91 -1.19 4.11 2.02 -1.26 -4.97 117.35 121.28 3ndn s TYR 41 Ca -0.03 -2.27 -0.20 0.00 -0.37 0.00 0.00 57.07 54.20 3ndn s TYR 41 Cb -0.19 -3.92 0.06 0.00 -0.40 0.00 0.00 41.96 37.51 3ndn s TYR 41 CO -0.01 -1.05 1.64 -0.51 -1.57 0.00 0.00 175.55 174.05 3ndn s LEU 42 N -0.12 3.69 -0.01 -1.29 1.43 -1.26 -4.87 118.68 116.25 3ndn s LEU 42 Ca 0.27 -2.06 -0.06 0.00 -1.03 0.00 0.00 54.13 51.26 3ndn s LEU 42 Cb -0.09 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.56 3ndn s LEU 42 CO -0.08 -1.35 0.12 0.28 0.23 0.00 0.00 176.35 175.55 3ndn s THR 43 N 4.71 0.06 -0.15 5.49 -1.32 -1.26 -5.06 115.64 118.12 3ndn s THR 43 Ca 0.52 -0.52 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 3ndn s THR 43 Cb 0.02 -0.35 -0.23 0.00 -1.51 0.00 0.00 72.50 70.43 3ndn s THR 43 CO 0.02 -0.29 0.26 -1.54 -2.21 0.00 0.00 174.62 170.86 3ndn n SER 44 N 1.90 0.98 -3.67 8.08 3.41 -1.26 -4.70 113.62 118.35 3ndn n SER 44 Ca -0.20 0.15 -0.22 0.00 -0.26 0.00 0.00 58.87 58.33 3ndn n SER 44 Cb 0.56 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 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 1.81 3.52 3.12 5.00 0.00 -1.26 -0.81 105.19 116.57 3ndn n GLY 45 Ca -0.30 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.65 0.82 0.26 1.61 2.02 -1.26 -4.98 117.35 113.18 3ndn s TYR 46 Ca 0.10 -0.68 0.07 0.00 -0.37 0.00 0.00 57.07 56.19 3ndn s TYR 46 Cb 0.00 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 3ndn s TYR 46 CO 0.07 -0.10 0.24 0.14 -1.57 0.00 0.00 175.55 174.34 3ndn s VAL 47 N -2.39 4.46 0.11 0.71 -7.23 -1.26 -5.02 120.40 109.77 3ndn s VAL 47 Ca 0.01 -1.33 0.07 0.00 -1.81 0.00 0.00 61.98 58.92 3ndn s VAL 47 Cb -0.03 -3.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 3ndn s VAL 47 CO -0.02 -0.32 -0.16 -0.31 -0.31 0.00 0.00 175.10 173.98 3ndn s TYR 48 N -2.13 1.49 -0.11 2.82 2.02 -1.26 -5.06 117.35 115.13 3ndn s TYR 48 Ca 0.34 -0.48 0.25 0.00 -0.37 0.00 0.00 57.07 56.81 3ndn s TYR 48 Cb -0.08 -0.80 0.74 0.00 -0.40 0.00 0.00 41.96 41.42 3ndn s TYR 48 CO 0.26 0.15 1.75 0.78 -1.57 0.00 0.00 175.55 176.92 3ndn h GLY 49 N 3.87 0.00 -2.84 0.71 0.00 -2.01 -3.47 103.07 99.33 3ndn h GLY 49 Ca -0.42 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3ndn h GLY 49 CO 0.45 0.00 0.03 -1.35 0.00 0.00 0.00 176.54 175.66 3ndn s SER 50 N -6.09 -0.30 0.35 0.19 1.04 -1.26 -5.04 113.70 102.59 3ndn s SER 50 Ca 0.03 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.17 3ndn s SER 50 Cb 0.08 0.55 0.67 0.00 0.10 0.00 0.00 66.02 67.41 3ndn s SER 50 CO 0.64 -0.97 1.91 0.00 0.98 0.00 0.00 173.24 175.79 3ndn h ALA 51 N 2.22 1.44 -0.06 5.32 0.00 -2.00 -2.68 119.26 123.50 3ndn h ALA 51 Ca -0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ndn h ALA 51 Cb 1.27 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ndn h ALA 51 CO 0.41 0.40 0.03 0.00 0.00 0.00 0.00 179.25 180.09 3ndn h ALA 52 N 1.56 0.08 -0.85 0.00 0.00 -2.00 -2.04 119.26 116.01 3ndn h ALA 52 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3ndn h ALA 52 Cb 0.27 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ndn h ALA 52 CO 0.00 -0.35 0.56 0.28 0.00 0.00 0.00 179.25 179.74 3ndn h VAL 53 N -0.02 1.19 -0.31 0.00 2.07 -1.95 -1.46 116.25 115.76 3ndn h VAL 53 Ca 0.02 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3ndn h VAL 53 Cb 0.12 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3ndn h VAL 53 CO -0.00 0.20 0.16 0.00 0.02 0.00 0.00 177.57 177.95 3ndn h ALA 54 N 1.48 0.38 -0.11 1.67 0.00 -1.26 -0.74 119.26 120.69 3ndn h ALA 54 Ca 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3ndn h ALA 54 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ndn h ALA 54 CO -0.08 -0.22 0.06 1.49 0.00 0.00 0.00 179.25 180.50 3ndn h GLU 55 N 0.33 0.14 -0.58 0.00 4.81 -0.93 -2.05 114.58 116.30 3ndn h GLU 55 Ca 0.13 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3ndn h GLU 55 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3ndn h GLU 55 CO -0.09 0.13 0.12 0.87 -0.73 0.00 0.00 179.01 179.32 3ndn h LYS 56 N 0.11 0.91 -0.21 1.92 1.57 -1.19 -2.31 116.57 117.37 3ndn h LYS 56 Ca 0.04 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3ndn h LYS 56 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3ndn h LYS 56 CO -0.01 0.83 0.02 0.77 -0.57 0.00 0.00 179.45 180.49 3ndn h SER 57 N 0.87 0.35 -0.11 0.86 0.02 -1.05 -1.25 113.55 113.24 3ndn h SER 57 Ca 0.19 -0.28 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3ndn h SER 57 Cb 0.34 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 3ndn h SER 57 CO 0.00 0.55 0.08 0.15 -1.14 0.00 0.00 176.83 176.47 3ndn h PHE 58 N 0.15 0.05 -0.00 3.45 3.57 -1.27 -2.22 116.94 120.67 3ndn h PHE 58 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3ndn h PHE 58 Cb 0.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3ndn h PHE 58 CO 0.03 0.03 -0.08 0.00 -2.23 0.00 0.00 178.31 176.06 3ndn n ALA 59 N -2.55 2.52 -1.05 2.41 0.00 -0.88 -4.92 120.51 116.04 3ndn n ALA 59 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 3ndn n ALA 59 Cb 0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3ndn n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ndn n GLY 60 N 1.50 0.53 0.21 0.00 0.00 -0.84 -4.93 105.19 101.66 3ndn n GLY 60 Ca 0.07 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 0.36 0.00 -6.15 1.61 5.08 -1.47 -3.44 114.58 110.56 3ndn h GLU 61 Ca -0.03 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.76 3ndn h GLU 61 Cb 0.16 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.24 3ndn h GLU 61 CO 0.05 0.00 -0.79 -0.51 -1.00 0.00 0.00 179.01 176.76 3ndn s LEU 62 N -6.06 2.46 -0.04 1.33 1.43 -1.20 -4.99 118.68 111.60 3ndn s LEU 62 Ca 0.07 -0.89 0.13 0.00 -1.03 0.00 0.00 54.13 52.41 3ndn s LEU 62 Cb 0.06 -0.95 0.45 0.00 0.03 0.00 0.00 46.19 45.78 3ndn s LEU 62 CO 0.67 0.01 1.34 -0.90 0.23 0.00 0.00 176.35 177.70 3ndn n ASP 63 N 0.17 2.98 -4.63 2.29 5.75 -1.26 -4.69 116.55 117.16 3ndn n ASP 63 Ca -0.12 -2.17 -0.46 0.00 -0.01 0.00 0.00 54.79 52.03 3ndn n ASP 63 Cb 0.57 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.75 1.78 -1.95 2.11 -0.00 -1.26 -4.78 115.22 111.88 3ndn n HIS 64 Ca 0.16 0.55 -0.37 0.00 0.46 0.00 0.00 57.72 58.53 3ndn n HIS 64 Cb 0.53 -2.37 0.03 0.00 -0.12 0.00 0.00 29.99 28.06 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 2.42 0.00 1.57 2.02 -1.26 -4.97 117.35 116.82 3ndn s TYR 65 Ca 0.67 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.84 3ndn s TYR 65 Cb -0.71 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.24 3ndn s TYR 65 CO 0.53 -2.41 0.00 0.28 -1.57 0.00 0.00 175.55 172.38 3ndn n VAL 66 N -1.18 0.00 -3.65 0.71 0.31 -1.26 -4.76 118.33 108.49 3ndn n VAL 66 Ca 0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.36 3ndn n VAL 66 Cb 0.47 -1.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.14 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 -1.98 -0.92 -0.61 3.52 6.14 -1.26 -4.03 117.35 118.21 3ndn s TYR 67 Ca 0.00 1.90 0.19 0.00 0.64 0.00 0.00 57.07 59.80 3ndn s TYR 67 Cb 0.00 0.51 0.83 0.00 0.42 0.00 0.00 41.96 43.72 3ndn s TYR 67 CO 0.00 -0.47 1.57 0.43 0.64 0.00 0.00 175.55 177.72 3ndn n SER 68 N 4.12 0.42 0.28 4.32 7.64 0.01 -2.04 113.62 128.36 3ndn n SER 68 Ca -0.20 0.63 0.13 0.00 1.01 0.00 0.00 58.87 60.43 3ndn n SER 68 Cb 0.58 -0.71 0.82 0.00 -1.01 0.00 0.00 64.21 63.89 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 -1.95 -3.28 114.38 113.00 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 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 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 -4.10 0.00 -3.62 2.20 4.11 -0.96 -4.72 117.16 110.07 3ndn n TYR 70 Ca -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.90 57.83 3ndn n TYR 70 Cb 0.09 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.37 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 -0.05 -0.01 -0.11 -7.48 0.00 -0.87 -5.04 107.32 93.76 3ndn s GLY 71 Ca 0.00 3.15 -0.10 0.00 0.00 0.00 0.00 44.72 47.77 3ndn s GLY 71 CO 0.00 2.67 0.30 0.21 0.00 0.00 0.00 173.10 176.28 3ndn s ASN 72 N 1.46 -0.32 0.45 1.64 3.84 -1.26 -3.62 114.94 117.13 3ndn s ASN 72 Ca -0.08 0.61 0.11 0.00 0.21 0.00 0.00 52.86 53.70 3ndn s ASN 72 Cb -0.04 0.59 1.00 0.00 -0.55 0.00 0.00 41.25 42.25 3ndn s ASN 72 CO -0.15 -0.12 2.07 -0.65 -2.79 0.00 0.00 177.10 175.47 3ndn h PRO 73 N 5.95 0.30 -0.06 0.43 0.11 -1.99 -1.11 132.00 135.63 3ndn h PRO 73 Ca -0.28 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.56 3ndn h PRO 73 Cb 1.19 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.25 3ndn h PRO 73 CO 0.33 0.23 -0.90 1.15 -0.21 0.00 0.00 178.00 178.60 3ndn h THR 74 N 0.31 1.29 -0.63 -1.15 2.02 -1.89 -3.07 112.91 109.79 3ndn h THR 74 Ca 0.08 -2.12 -0.01 0.00 0.77 0.00 0.00 66.41 65.14 3ndn h THR 74 Cb 0.02 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 3ndn h THR 74 CO -0.01 0.66 0.37 0.58 0.37 0.00 0.00 175.52 177.49 3ndn h VAL 75 N 0.40 1.18 -0.80 3.16 2.07 -1.77 -2.83 116.25 117.66 3ndn h VAL 75 Ca -0.10 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3ndn h VAL 75 Cb 1.55 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3ndn h VAL 75 CO 0.18 0.19 0.39 0.28 0.02 0.00 0.00 177.57 178.63 3ndn h SER 76 N 0.87 1.04 -0.08 0.57 0.02 -1.20 -1.75 113.55 113.03 3ndn h SER 76 Ca 0.23 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3ndn h SER 76 Cb -0.02 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 3ndn h SER 76 CO -0.04 0.88 0.05 0.58 -1.14 0.00 0.00 176.83 177.16 3ndn h VAL 77 N 1.14 1.03 -0.36 2.27 2.07 -1.41 -1.25 116.25 119.75 3ndn h VAL 77 Ca 0.28 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.77 3ndn h VAL 77 Cb 0.11 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3ndn h VAL 77 CO -0.04 0.03 0.09 0.15 0.02 0.00 0.00 177.57 177.82 3ndn h PHE 78 N 0.09 0.15 -0.24 1.57 3.57 -1.40 -1.41 116.94 119.27 3ndn h PHE 78 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ndn h PHE 78 Cb 0.01 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3ndn h PHE 78 CO -0.07 0.04 0.16 0.93 -2.23 0.00 0.00 178.31 177.14 3ndn h GLU 79 N 0.22 0.32 -0.40 1.11 5.08 -1.24 -1.80 114.58 117.87 3ndn h GLU 79 Ca 0.17 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 3ndn h GLU 79 Cb 0.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ndn h GLU 79 CO -0.21 0.22 -0.33 1.49 -1.00 0.00 0.00 179.01 179.19 3ndn h GLU 80 N 0.32 0.91 0.04 2.33 4.57 -1.15 -1.65 114.58 119.95 3ndn h GLU 80 Ca 0.09 -0.44 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3ndn h GLU 80 Cb -0.02 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3ndn h GLU 80 CO -0.02 1.10 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.80 3ndn h ARG 81 N 0.76 -0.05 -0.84 1.92 2.43 -1.11 -2.03 114.38 115.46 3ndn h ARG 81 Ca 0.08 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3ndn h ARG 81 Cb 0.90 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 3ndn h ARG 81 CO 0.08 0.00 0.55 1.25 -1.51 0.00 0.00 179.97 180.35 3ndn h LEU 82 N -0.09 0.92 -0.96 3.80 5.85 -1.32 -2.22 115.31 121.29 3ndn h LEU 82 Ca -0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3ndn h LEU 82 Cb 0.07 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 3ndn h LEU 82 CO 0.01 0.64 0.61 -0.09 -0.34 0.00 0.00 178.44 179.27 3ndn h ARG 83 N 1.08 1.04 0.01 1.25 2.43 -1.10 -0.62 114.38 118.48 3ndn h ARG 83 Ca 0.33 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.22 3ndn h ARG 83 Cb -0.03 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.28 3ndn h ARG 83 CO -0.10 0.69 -0.93 -0.07 -1.51 0.00 0.00 179.97 178.04 3ndn h LEU 84 N 1.07 0.38 -0.79 3.80 3.38 -1.13 -0.76 115.31 121.26 3ndn h LEU 84 Ca 0.43 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3ndn h LEU 84 Cb 0.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ndn h LEU 84 CO -0.20 1.13 -0.21 0.40 0.09 0.00 0.00 178.44 179.65 3ndn h ILE 85 N 0.16 1.27 0.14 1.22 2.04 -1.10 -3.26 117.51 117.97 3ndn h ILE 85 Ca -0.07 -1.28 -0.28 0.00 1.00 0.00 0.00 64.86 64.23 3ndn h ILE 85 Cb 1.58 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3ndn h ILE 85 CO 0.15 0.42 -1.26 -0.08 0.00 0.00 0.00 178.15 177.39 3ndn h GLU 86 N 0.60 0.34 -0.82 2.37 4.57 -1.06 -3.49 114.58 117.09 3ndn h GLU 86 Ca 0.09 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3ndn h GLU 86 Cb 0.68 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3ndn h GLU 86 CO 0.05 1.25 0.00 0.41 -1.18 0.00 0.00 179.01 179.54 3ndn n GLY 87 N 1.51 0.93 3.96 1.92 0.00 -0.34 -4.95 105.19 108.22 3ndn n GLY 87 Ca -0.10 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.82 3.89 0.27 4.61 0.00 -0.90 -4.99 121.76 121.82 3ndn s ALA 88 Ca 0.00 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 50.94 3ndn s ALA 88 Cb 0.00 -1.83 0.36 0.00 0.00 0.00 0.00 23.12 21.65 3ndn s ALA 88 CO 0.00 0.27 1.62 -1.35 0.00 0.00 0.00 175.76 176.30 3ndn h PRO 89 N 1.35 0.09 -2.51 0.00 0.11 -1.90 -3.46 132.00 125.68 3ndn h PRO 89 Ca -0.51 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.62 3ndn h PRO 89 Cb 1.22 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 3ndn h PRO 89 CO 0.63 0.64 0.40 0.00 -0.21 0.00 0.00 178.00 179.47 3ndn s ALA 90 N -3.75 -1.72 -0.04 -0.75 0.00 -0.79 -4.76 121.76 109.93 3ndn s ALA 90 Ca -0.03 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 3ndn s ALA 90 Cb 0.13 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.86 3ndn s ALA 90 CO 0.77 -0.76 0.31 0.00 0.00 0.00 0.00 175.76 176.09 3ndn s ALA 91 N -3.34 -0.78 -0.05 0.00 0.00 -1.26 -1.97 121.76 114.35 3ndn s ALA 91 Ca 0.05 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 3ndn s ALA 91 Cb -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.04 3ndn s ALA 91 CO -0.09 -0.23 0.01 0.12 0.00 0.00 0.00 175.76 175.57 3ndn s PHE 92 N -0.93 0.47 0.46 0.00 5.99 -0.01 -4.97 117.98 118.99 3ndn s PHE 92 Ca -0.10 -0.04 -0.17 0.00 0.00 0.00 0.00 56.93 56.62 3ndn s PHE 92 Cb -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 43.02 42.24 3ndn s PHE 92 CO 0.03 -0.25 0.94 0.00 -0.00 0.00 0.00 175.22 175.94 3ndn s ALA 93 N 1.76 3.10 0.20 11.12 0.00 -1.26 -1.07 121.76 135.60 3ndn s ALA 93 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3ndn s ALA 93 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3ndn s ALA 93 CO -0.04 -0.05 0.08 0.95 0.00 0.00 0.00 175.76 176.70 3ndn s THR 94 N -2.41 0.36 0.35 0.00 -4.23 -0.23 -4.53 115.64 104.94 3ndn s THR 94 Ca 0.59 -1.98 0.24 0.00 -1.18 0.00 0.00 61.69 59.36 3ndn s THR 94 Cb -0.10 -2.37 0.24 0.00 1.34 0.00 0.00 72.50 71.62 3ndn s THR 94 CO 0.24 -0.20 1.97 0.00 -0.54 0.00 0.00 174.62 176.09 3ndn h ALA 95 N 2.61 1.25 -2.96 3.99 0.00 -1.12 -1.38 119.26 121.65 3ndn h ALA 95 Ca -0.37 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.43 3ndn h ALA 95 Cb 1.23 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3ndn h ALA 95 CO 0.59 0.24 0.24 -1.54 0.00 0.00 0.00 179.25 178.78 3ndn s SER 96 N -6.32 -0.33 0.31 0.00 1.04 -1.26 -3.23 113.70 103.91 3ndn s SER 96 Ca -0.02 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 3ndn s SER 96 Cb 0.13 0.68 0.48 0.00 0.10 0.00 0.00 66.02 67.41 3ndn s SER 96 CO 0.62 -1.23 1.97 1.23 0.98 0.00 0.00 173.24 176.81 3ndn h GLY 97 N 2.00 1.14 2.00 7.32 0.00 -1.72 -2.48 103.07 111.33 3ndn h GLY 97 Ca -0.23 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3ndn h GLY 97 CO 0.27 0.40 -0.38 -0.33 0.00 0.00 0.00 176.54 176.50 3ndn h MET 98 N 1.07 0.00 -0.08 4.80 2.86 -1.91 -1.71 114.93 119.97 3ndn h MET 98 Ca 0.30 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.80 3ndn h MET 98 Cb -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3ndn h MET 98 CO -0.07 0.38 -0.59 0.00 1.06 0.00 0.00 176.91 177.68 3ndn h ALA 99 N 1.62 0.85 -0.37 6.32 0.00 -1.85 -1.57 119.26 124.26 3ndn h ALA 99 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3ndn h ALA 99 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ndn h ALA 99 CO 0.05 0.72 -0.05 0.00 0.00 0.00 0.00 179.25 179.97 3ndn h ALA 100 N 1.18 0.50 0.65 0.00 0.00 -1.04 -1.70 119.26 118.85 3ndn h ALA 100 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ndn h ALA 100 Cb 1.09 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.75 3ndn h ALA 100 CO 0.09 0.32 -0.31 0.28 0.00 0.00 0.00 179.25 179.63 3ndn h VAL 101 N 0.49 0.34 -0.62 0.00 2.07 -1.24 -1.73 116.25 115.56 3ndn h VAL 101 Ca 0.10 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3ndn h VAL 101 Cb 0.54 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3ndn h VAL 101 CO 0.03 0.01 0.40 0.15 0.02 0.00 0.00 177.57 178.17 3ndn h PHE 102 N -0.93 0.79 -0.11 1.57 3.57 -1.35 -2.76 116.94 117.72 3ndn h PHE 102 Ca -0.09 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.22 3ndn h PHE 102 Cb 0.69 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.17 3ndn h PHE 102 CO -0.02 0.51 -0.74 1.15 -2.23 0.00 0.00 178.31 176.98 3ndn h THR 103 N 0.84 1.34 -0.51 4.41 2.02 -1.34 0.23 112.91 119.90 3ndn h THR 103 Ca 0.22 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 3ndn h THR 103 Cb -0.07 2.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3ndn h THR 103 CO -0.05 0.64 0.28 0.77 0.37 0.00 0.00 175.52 177.53 3ndn h SER 104 N 0.37 0.63 0.20 4.18 4.64 -1.25 -1.43 113.55 120.91 3ndn h SER 104 Ca -0.04 -0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 60.96 3ndn h SER 104 Cb 1.34 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3ndn h SER 104 CO 0.14 0.54 -0.96 -0.07 -0.87 0.00 0.00 176.83 175.61 3ndn h LEU 105 N 0.68 0.67 -1.28 5.97 3.38 -1.46 -3.18 115.31 120.09 3ndn h LEU 105 Ca 0.18 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.69 3ndn h LEU 105 Cb 0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3ndn h LEU 105 CO -0.03 1.32 0.53 1.23 0.09 0.00 0.00 178.44 181.58 3ndn h GLY 106 N 0.95 1.13 2.00 0.83 0.00 -0.87 -1.26 103.07 105.84 3ndn h GLY 106 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3ndn h GLY 106 CO 0.17 0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.96 3ndn h ALA 107 N 1.57 1.00 0.00 3.60 0.00 -1.24 -3.17 119.26 121.02 3ndn h ALA 107 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3ndn h ALA 107 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ndn h ALA 107 CO -0.13 0.00 -1.84 1.28 0.00 0.00 0.00 179.25 178.56 3ndn n LEU 108 N -2.95 0.00 -3.91 0.00 4.77 -0.81 -4.84 117.00 109.25 3ndn n LEU 108 Ca -0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.68 3ndn n LEU 108 Cb 0.21 0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.18 3ndn n LEU 108 CO 0.23 0.04 -0.42 -0.76 -1.33 0.00 0.00 177.39 175.15 3ndn s LEU 109 N -4.33 2.05 0.54 2.23 1.43 -0.54 -4.86 118.68 115.20 3ndn s LEU 109 Ca -0.07 -0.92 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 3ndn s LEU 109 Cb 0.11 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.33 3ndn s LEU 109 CO 0.73 -0.21 0.48 -0.83 0.23 0.00 0.00 176.35 176.76 3ndn s GLY 110 N 1.52 2.22 0.18 -3.19 0.00 -1.26 -4.66 107.32 102.13 3ndn s GLY 110 Ca -0.02 -1.49 -0.33 0.00 0.00 0.00 0.00 44.72 42.87 3ndn s GLY 110 CO -0.07 -1.87 1.55 0.00 0.00 0.00 0.00 173.10 172.71 3ndn n ALA 111 N -1.85 1.35 -0.23 3.20 0.00 -1.25 -1.93 120.51 119.80 3ndn n ALA 111 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3ndn n ALA 111 Cb 0.64 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 3.18 0.63 3.99 0.00 0.00 -0.82 -4.97 105.19 107.21 3ndn n GLY 112 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.97 5.83 -0.09 1.61 1.01 -0.81 -4.92 116.67 116.33 3ndn s ASP 113 Ca 0.00 -0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.07 3ndn s ASP 113 Cb 0.00 -1.05 0.01 0.00 1.01 0.00 0.00 42.92 42.89 3ndn s ASP 113 CO 0.00 -0.59 -0.18 -0.60 0.21 0.00 0.00 175.17 174.01 3ndn s ARG 114 N -4.28 2.44 -0.10 8.23 3.52 -1.26 -1.34 118.95 126.16 3ndn s ARG 114 Ca 0.49 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 3ndn s ARG 114 Cb -0.10 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.37 3ndn s ARG 114 CO 0.32 0.09 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.50 3ndn s LEU 115 N 0.56 2.17 -0.21 -0.88 2.96 0.07 -1.68 118.68 121.66 3ndn s LEU 115 Ca -0.15 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 3ndn s LEU 115 Cb -0.17 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3ndn s LEU 115 CO 0.05 0.17 0.00 -0.69 -1.32 0.00 0.00 176.35 174.56 3ndn s VAL 116 N 0.30 3.95 0.09 1.68 1.01 -0.73 -1.19 120.40 125.51 3ndn s VAL 116 Ca -0.17 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3ndn s VAL 116 Cb -0.17 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3ndn s VAL 116 CO 0.08 0.42 -0.15 0.00 0.00 0.00 0.00 175.10 175.45 3ndn s ALA 117 N 1.07 1.34 0.56 5.51 0.00 -0.54 -2.14 121.76 127.57 3ndn s ALA 117 Ca 0.02 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 3ndn s ALA 117 Cb -0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3ndn s ALA 117 CO 0.02 0.18 1.09 0.00 0.00 0.00 0.00 175.76 177.05 3ndn s ALA 118 N -1.49 2.70 0.03 0.00 0.00 -0.91 -1.47 121.76 120.62 3ndn s ALA 118 Ca 0.02 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 3ndn s ALA 118 Cb -0.09 -3.31 -0.28 0.00 0.00 0.00 0.00 23.12 19.45 3ndn s ALA 118 CO 0.03 -0.77 0.98 -0.09 0.00 0.00 0.00 175.76 175.91 3ndn h ARG 119 N 0.94 0.24 -6.11 0.00 2.43 -1.57 -3.44 114.38 106.88 3ndn h ARG 119 Ca -0.49 -0.41 -0.59 0.00 -0.81 0.00 0.00 59.98 57.68 3ndn h ARG 119 Cb 1.24 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 30.85 3ndn h ARG 119 CO 0.57 1.13 1.39 0.45 -1.51 0.00 0.00 179.97 182.00 3ndn s SER 120 N -7.01 6.44 0.09 -3.80 0.15 -1.26 -4.96 113.70 103.35 3ndn s SER 120 Ca -0.06 -1.29 0.02 0.00 0.70 0.00 0.00 55.95 55.32 3ndn s SER 120 Cb 0.07 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 3ndn s SER 120 CO 0.86 -1.55 -0.08 -0.76 1.20 0.00 0.00 173.24 172.91 3ndn s LEU 121 N 5.02 2.43 0.17 3.45 1.43 -1.26 -4.64 118.68 125.28 3ndn s LEU 121 Ca 0.43 -0.87 -0.33 0.00 -1.03 0.00 0.00 54.13 52.34 3ndn s LEU 121 Cb -0.02 -0.16 -0.16 0.00 0.03 0.00 0.00 46.19 45.88 3ndn s LEU 121 CO -0.05 -0.36 1.12 0.33 0.23 0.00 0.00 176.35 177.62 3ndn n PHE 122 N 0.40 1.19 -0.36 0.29 7.35 -1.24 -4.79 117.46 120.30 3ndn n PHE 122 Ca -0.15 0.71 -0.04 0.00 -0.76 0.00 0.00 57.45 57.21 3ndn n PHE 122 Cb 0.59 -2.26 -0.01 0.00 0.35 0.00 0.00 39.48 38.15 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 1.96 -2.03 0.19 7.13 0.00 -1.26 -1.28 105.19 109.90 3ndn n GLY 123 Ca 0.15 1.03 0.03 0.00 0.00 0.00 0.00 46.02 47.23 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 0.01 -0.35 1.61 0.02 -1.91 -2.22 113.55 110.71 3ndn h SER 124 Ca 0.25 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 3ndn h SER 124 Cb 0.48 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3ndn h SER 124 CO -0.88 0.33 -0.25 0.00 -1.14 0.00 0.00 176.83 174.89 3ndn h PHE 126 N 0.73 1.10 -0.60 0.00 3.57 -0.93 -2.00 116.94 118.81 3ndn h PHE 126 Ca 0.09 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3ndn h PHE 126 Cb 0.80 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3ndn h PHE 126 CO 0.05 0.78 0.11 0.28 -2.23 0.00 0.00 178.31 177.29 3ndn h VAL 127 N 1.10 1.26 -0.13 1.41 2.07 -1.24 -0.36 116.25 120.35 3ndn h VAL 127 Ca 0.28 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.84 3ndn h VAL 127 Cb 0.05 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3ndn h VAL 127 CO -0.04 0.36 -0.01 0.58 0.02 0.00 0.00 177.57 178.48 3ndn h VAL 128 N 0.89 0.90 -0.13 2.57 2.07 -1.05 -1.25 116.25 120.25 3ndn h VAL 128 Ca 0.18 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.50 3ndn h VAL 128 Cb 0.41 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ndn h VAL 128 CO 0.01 0.01 -0.70 0.00 0.02 0.00 0.00 177.57 176.91 3ndn n SER 130 N -3.90 0.50 0.03 0.00 3.41 -0.16 -4.49 113.62 109.01 3ndn n SER 130 Ca -0.05 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3ndn n SER 130 Cb 0.69 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 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 -2.76 0.00 0.21 4.33 1.02 -0.52 -4.70 120.64 118.21 3ndn n GLU 131 Ca -0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.84 3ndn n GLU 131 Cb 0.90 -0.46 -0.08 0.00 -0.02 0.00 0.00 31.44 31.78 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 0.60 -0.38 -3.67 2.04 -1.43 -2.29 117.51 112.38 3ndn h ILE 132 Ca 0.00 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 3ndn h ILE 132 Cb 0.50 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ndn h ILE 132 CO 0.00 0.07 -0.29 -0.07 0.00 0.00 0.00 178.15 177.86 3ndn h LEU 133 N -0.73 0.84 -1.79 1.44 3.38 -1.63 -2.88 115.31 113.94 3ndn h LEU 133 Ca -0.05 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 3ndn h LEU 133 Cb 0.51 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ndn h LEU 133 CO 0.09 1.07 -0.15 -0.65 0.09 0.00 0.00 178.44 178.89 3ndn h PRO 134 N 0.69 0.00 0.00 1.13 0.11 -1.70 -1.39 132.00 130.84 3ndn h PRO 134 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3ndn h PRO 134 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ndn h PRO 134 CO 0.07 0.15 -0.04 -0.09 -0.21 0.00 0.00 178.00 177.88 3ndn h ARG 135 N 0.00 0.00 -0.59 1.05 2.43 -1.18 -1.60 114.38 114.49 3ndn h ARG 135 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3ndn h ARG 135 Cb 0.32 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3ndn h ARG 135 CO 0.02 0.04 0.09 0.91 -1.51 0.00 0.00 179.97 179.52 3ndn n TRP 136 N -4.16 2.05 -0.21 2.20 8.01 -0.56 -4.95 117.44 119.82 3ndn n TRP 136 Ca -0.03 -0.93 0.00 0.00 -1.31 0.00 0.00 57.50 55.24 3ndn n TRP 136 Cb 0.12 -0.55 0.00 0.00 -2.01 0.00 0.00 31.31 28.87 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 0.18 0.73 3.75 6.99 0.00 -0.60 -3.81 105.19 112.43 3ndn n GLY 137 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.23 4.04 -0.33 1.61 1.01 -1.01 -1.94 120.40 121.55 3ndn s VAL 138 Ca 0.00 1.95 -0.17 0.00 0.00 0.00 0.00 61.98 63.76 3ndn s VAL 138 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 3ndn s VAL 138 CO 0.00 0.42 0.49 -1.58 0.00 0.00 0.00 175.10 174.43 3ndn s GLN 139 N -0.91 3.71 -0.14 2.72 0.74 -0.45 -4.07 119.66 121.25 3ndn s GLN 139 Ca 0.43 -0.11 -0.01 0.00 0.05 0.00 0.00 55.36 55.73 3ndn s GLN 139 Cb -0.27 -3.77 -0.01 0.00 1.10 0.00 0.00 33.01 30.05 3ndn s GLN 139 CO 0.33 -0.56 -0.11 0.99 -0.55 0.00 0.00 175.29 175.39 3ndn s THR 140 N 2.32 3.16 -0.13 -0.34 2.01 -1.26 -0.75 115.64 120.64 3ndn s THR 140 Ca 0.18 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3ndn s THR 140 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 3ndn s THR 140 CO 0.12 0.51 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.72 3ndn s VAL 141 N 0.49 2.77 0.09 3.82 1.01 -0.33 -5.00 120.40 123.25 3ndn s VAL 141 Ca -0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3ndn s VAL 141 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3ndn s VAL 141 CO 0.04 0.53 0.32 -0.36 0.00 0.00 0.00 175.10 175.63 3ndn s PHE 142 N 0.47 3.52 0.15 5.22 0.08 -1.26 -1.47 117.98 124.69 3ndn s PHE 142 Ca -0.11 0.53 0.02 0.00 0.12 0.00 0.00 56.93 57.48 3ndn s PHE 142 Cb -0.16 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 3ndn s PHE 142 CO 0.05 0.52 -0.02 0.14 -0.10 0.00 0.00 175.22 175.81 3ndn s VAL 143 N -1.51 0.67 -0.38 -0.44 -7.23 -0.54 -4.95 120.40 106.02 3ndn s VAL 143 Ca 0.36 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 58.28 3ndn s VAL 143 Cb -0.13 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.84 3ndn s VAL 143 CO 0.22 -0.59 1.06 -1.81 -0.31 0.00 0.00 175.10 173.67 3ndn s ASP 144 N -3.13 6.78 0.50 4.85 1.01 -1.26 -1.32 116.67 124.11 3ndn s ASP 144 Ca 0.20 0.76 0.24 0.00 0.71 0.00 0.00 52.55 54.47 3ndn s ASP 144 Cb 0.06 -2.53 1.32 0.00 1.01 0.00 0.00 42.92 42.78 3ndn s ASP 144 CO 0.01 -0.98 1.96 1.23 0.21 0.00 0.00 175.17 177.60 3ndn h GLY 145 N 10.41 0.19 -0.27 0.21 0.00 -1.92 -0.82 103.07 110.87 3ndn h GLY 145 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3ndn h GLY 145 CO 1.05 0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.69 3ndn n ASP 146 N -4.39 0.70 -3.98 0.19 5.75 -1.26 -4.62 116.55 108.94 3ndn n ASP 146 Ca 0.12 -1.79 -0.30 0.00 -0.01 0.00 0.00 54.79 52.80 3ndn n ASP 146 Cb 0.63 -0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 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 -1.26 4.53 0.51 -1.12 -1.08 -0.32 -4.99 116.67 112.96 3ndn s ASP 147 Ca 0.18 -2.60 0.23 0.00 -0.52 0.00 0.00 52.55 49.84 3ndn s ASP 147 Cb 0.09 -1.64 1.38 0.00 -1.46 0.00 0.00 42.92 41.30 3ndn s ASP 147 CO 0.14 -0.30 2.10 -0.07 0.52 0.00 0.00 175.17 177.55 3ndn h LEU 148 N 7.03 0.00 -1.04 -1.34 3.38 -1.84 -1.51 115.31 119.99 3ndn h LEU 148 Ca -0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3ndn h LEU 148 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3ndn h LEU 148 CO 0.61 0.10 -0.42 0.77 0.09 0.00 0.00 178.44 179.59 3ndn h SER 149 N 0.00 0.12 -0.24 -0.43 4.64 -1.96 -0.70 113.55 114.98 3ndn h SER 149 Ca -0.00 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 3ndn h SER 149 Cb 0.23 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ndn h SER 149 CO 0.01 0.53 -0.26 1.56 -0.87 0.00 0.00 176.83 177.80 3ndn h GLN 150 N 0.10 0.60 -0.60 4.77 4.20 -1.64 -2.53 115.11 120.01 3ndn h GLN 150 Ca 0.01 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.46 3ndn h GLN 150 Cb 0.79 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 3ndn h GLN 150 CO 0.06 0.92 0.29 -1.49 -0.67 0.00 0.00 178.83 177.94 3ndn h TRP 151 N 0.30 0.52 -0.38 2.96 4.06 -1.33 -1.95 115.95 120.13 3ndn h TRP 151 Ca 0.03 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.06 3ndn h TRP 151 Cb 0.83 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.79 3ndn h TRP 151 CO 0.08 0.22 0.10 0.93 -3.56 0.00 0.00 178.44 176.21 3ndn h GLU 152 N 0.54 0.23 -0.50 0.49 5.08 -1.06 -1.41 114.58 117.95 3ndn h GLU 152 Ca 0.28 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.50 3ndn h GLU 152 Cb 0.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3ndn h GLU 152 CO -0.22 0.15 -0.18 0.07 -1.00 0.00 0.00 179.01 177.83 3ndn h ARG 153 N 0.24 1.01 -0.17 2.33 0.11 -1.25 -2.75 114.38 113.90 3ndn h ARG 153 Ca 0.18 -0.42 -0.10 0.00 0.10 0.00 0.00 59.98 59.75 3ndn h ARG 153 Cb 0.18 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 3ndn h ARG 153 CO -0.21 1.10 -0.31 0.00 0.10 0.00 0.00 179.97 180.65 3ndn h ALA 154 N 0.90 1.15 -0.54 0.08 0.00 -1.22 -3.20 119.26 116.43 3ndn h ALA 154 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ndn h ALA 154 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ndn h ALA 154 CO 0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.14 3ndn n LEU 155 N -4.10 2.87 0.00 0.00 4.77 -0.54 -4.19 117.00 115.81 3ndn n LEU 155 Ca -0.01 -1.43 0.13 0.00 -0.03 0.00 0.00 56.01 54.67 3ndn n LEU 155 Cb 0.42 -0.36 0.71 0.00 -2.33 0.00 0.00 43.42 41.87 3ndn n LEU 155 CO 0.41 0.72 0.96 -1.54 -1.33 0.00 0.00 177.39 176.61 3ndn n SER 156 N 1.07 0.00 -4.43 -1.43 3.41 -1.05 -4.56 113.62 106.63 3ndn n SER 156 Ca 0.18 -0.35 -0.23 0.00 -0.26 0.00 0.00 58.87 58.21 3ndn n SER 156 Cb 0.45 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.38 2.25 0.25 -3.33 -7.23 -1.26 -5.11 120.40 103.59 3ndn s VAL 157 Ca 0.30 -2.32 -0.31 0.00 -1.81 0.00 0.00 61.98 57.85 3ndn s VAL 157 Cb 0.18 -2.20 -0.13 0.00 0.56 0.00 0.00 36.38 34.79 3ndn s VAL 157 CO 0.37 -0.44 1.46 -2.65 -0.31 0.00 0.00 175.10 173.54 3ndn n PRO 158 N -0.48 2.23 -3.96 4.82 -0.02 -1.26 -4.89 135.00 131.43 3ndn n PRO 158 Ca -0.06 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3ndn n PRO 158 Cb 0.60 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 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 -0.04 0.14 -0.14 3.45 2.01 -0.94 -4.91 115.64 115.21 3ndn s THR 159 Ca 0.67 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3ndn s THR 159 Cb -0.60 -0.19 -0.24 0.00 0.01 0.00 0.00 72.50 71.48 3ndn s THR 159 CO 0.49 -0.16 0.26 0.00 -0.69 0.00 0.00 174.62 174.52 3ndn n GLN 160 N 2.48 0.71 -3.83 4.92 3.00 -0.68 -2.74 117.38 121.24 3ndn n GLN 160 Ca -0.17 0.22 -0.11 0.00 -0.01 0.00 0.00 57.00 56.94 3ndn n GLN 160 Cb 0.58 -1.67 -0.08 0.00 0.00 0.00 0.00 30.24 29.07 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 -0.40 -0.03 -1.58 0.00 -1.00 -1.97 121.76 114.23 3ndn s ALA 161 Ca -0.21 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3ndn s ALA 161 Cb 0.07 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3ndn s ALA 161 CO 0.75 -0.37 -0.05 0.08 0.00 0.00 0.00 175.76 176.16 3ndn s VAL 162 N -2.59 0.52 -0.03 0.00 1.01 -0.73 -1.77 120.40 116.81 3ndn s VAL 162 Ca -0.05 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3ndn s VAL 162 Cb -0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 3ndn s VAL 162 CO -0.04 0.20 -0.11 0.12 0.00 0.00 0.00 175.10 175.27 3ndn s PHE 163 N 0.60 1.11 0.13 5.22 5.36 -0.91 -0.98 117.98 128.51 3ndn s PHE 163 Ca -0.08 -0.28 -0.24 0.00 -0.96 0.00 0.00 56.93 55.37 3ndn s PHE 163 Cb -0.11 -0.77 0.07 0.00 -0.34 0.00 0.00 43.02 41.87 3ndn s PHE 163 CO 0.00 -0.10 0.68 -0.59 -1.46 0.00 0.00 175.22 173.75 3ndn s PHE 164 N 0.08 -0.46 -0.00 10.12 -0.12 -1.15 -2.15 117.98 124.30 3ndn s PHE 164 Ca -0.02 0.25 0.04 0.00 -0.05 0.00 0.00 56.93 57.15 3ndn s PHE 164 Cb -0.08 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 3ndn s PHE 164 CO 0.01 -0.81 -0.11 -1.21 -0.05 0.00 0.00 175.22 173.04 3ndn s GLU 165 N -3.61 2.43 -0.21 1.99 2.02 -1.26 -2.22 118.70 117.83 3ndn s GLU 165 Ca 0.03 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 3ndn s GLU 165 Cb -0.01 -2.40 0.08 0.00 0.10 0.00 0.00 34.13 31.90 3ndn s GLU 165 CO -0.10 0.60 0.48 -0.08 0.02 0.00 0.00 175.26 176.17 3ndn s THR 166 N -0.90 -0.37 0.71 3.63 -1.32 -1.26 -4.11 115.64 112.02 3ndn s THR 166 Ca 0.15 0.10 -0.14 0.00 -1.21 0.00 0.00 61.69 60.58 3ndn s THR 166 Cb -0.11 -0.73 0.03 0.00 -1.51 0.00 0.00 72.50 70.18 3ndn s THR 166 CO 0.05 0.04 1.15 -2.84 -2.21 0.00 0.00 174.62 170.81 3ndn s PRO 167 N 2.07 2.39 0.56 7.08 0.02 -1.26 -4.66 135.00 141.20 3ndn s PRO 167 Ca -0.06 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 62.34 3ndn s PRO 167 Cb -0.10 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3ndn s PRO 167 CO -0.15 -1.59 1.02 -1.54 -0.33 0.00 0.00 177.00 174.41 3ndn s SER 168 N -2.41 6.25 -0.31 2.53 1.04 -0.54 -4.77 113.70 115.49 3ndn s SER 168 Ca 0.70 1.63 -0.07 0.00 0.48 0.00 0.00 55.95 58.68 3ndn s SER 168 Cb -0.24 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.38 3ndn s SER 168 CO 0.45 -0.85 0.10 0.21 0.98 0.00 0.00 173.24 174.13 3ndn s ASN 169 N -3.16 5.25 0.00 7.02 3.84 -1.26 -0.85 114.94 125.77 3ndn s ASN 169 Ca 0.60 -0.76 0.18 0.00 0.21 0.00 0.00 52.86 53.09 3ndn s ASN 169 Cb -0.12 -1.91 0.04 0.00 -0.55 0.00 0.00 41.25 38.72 3ndn s ASN 169 CO 0.37 -0.22 0.97 -0.81 -2.79 0.00 0.00 177.10 174.62 3ndn n PRO 170 N 4.88 1.58 0.08 0.43 -0.04 -1.26 -3.73 135.00 136.94 3ndn n PRO 170 Ca -0.14 -1.10 0.12 0.00 -0.04 0.00 0.00 63.50 62.34 3ndn n PRO 170 Cb 0.48 -1.34 0.46 0.00 -0.04 0.00 0.00 33.50 33.06 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 0.27 0.15 -3.23 0.54 2.81 -1.22 -4.79 117.12 111.66 3ndn n MET 171 Ca 0.08 0.24 -0.23 0.00 -1.81 0.00 0.00 57.70 55.98 3ndn n MET 171 Cb 0.40 -1.72 0.04 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.00 -5.19 -2.28 0.03 6.02 -0.03 -4.93 117.38 109.00 3ndn n GLN 172 Ca 0.04 0.81 -0.40 0.00 -0.01 0.00 0.00 57.00 57.44 3ndn n GLN 172 Cb 0.31 -5.68 -0.03 0.00 1.02 0.00 0.00 30.24 25.87 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 -2.84 6.86 0.14 1.08 0.15 -1.26 -4.62 113.70 113.21 3ndn s SER 173 Ca 0.39 2.47 0.04 0.00 0.70 0.00 0.00 55.95 59.54 3ndn s SER 173 Cb -0.18 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 3ndn s SER 173 CO 0.48 -0.45 0.17 -0.76 1.20 0.00 0.00 173.24 173.88 3ndn s LEU 174 N -1.87 3.96 -0.09 3.45 1.43 -1.26 -1.47 118.68 122.83 3ndn s LEU 174 Ca 0.50 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 3ndn s LEU 174 Cb -0.35 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3ndn s LEU 174 CO 0.45 0.09 -0.22 -0.69 0.23 0.00 0.00 176.35 176.21 3ndn s VAL 175 N -1.68 1.89 -0.60 -1.59 1.01 -1.26 -3.98 120.40 114.19 3ndn s VAL 175 Ca 0.32 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 3ndn s VAL 175 Cb -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3ndn s VAL 175 CO 0.25 0.52 1.72 -0.62 0.00 0.00 0.00 175.10 176.97 3ndn s ASP 176 N 0.40 5.55 0.07 3.32 -1.08 -1.26 -4.90 116.67 118.76 3ndn s ASP 176 Ca -0.18 0.30 -0.25 0.00 -0.52 0.00 0.00 52.55 51.90 3ndn s ASP 176 Cb -0.18 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.59 3ndn s ASP 176 CO 0.08 -2.17 1.64 0.40 0.52 0.00 0.00 175.17 175.64 3ndn h ILE 177 N 6.70 0.91 -0.65 4.11 2.04 -1.98 -2.16 117.51 126.48 3ndn h ILE 177 Ca -0.27 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 3ndn h ILE 177 Cb 1.14 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3ndn h ILE 177 CO 1.21 0.04 0.30 0.00 0.00 0.00 0.00 178.15 179.69 3ndn h ALA 178 N 0.61 1.31 -0.15 1.87 0.00 -1.91 -1.82 119.26 119.18 3ndn h ALA 178 Ca -0.02 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 3ndn h ALA 178 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ndn h ALA 178 CO 0.03 0.53 -0.47 0.00 0.00 0.00 0.00 179.25 179.34 3ndn h ALA 179 N 1.41 0.25 -0.62 0.00 0.00 -1.89 -2.76 119.26 115.65 3ndn h ALA 179 Ca 0.22 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3ndn h ALA 179 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ndn h ALA 179 CO -0.03 0.41 0.07 0.28 0.00 0.00 0.00 179.25 179.98 3ndn h VAL 180 N 0.21 1.26 -0.88 0.00 2.07 -1.30 -3.06 116.25 114.55 3ndn h VAL 180 Ca -0.02 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3ndn h VAL 180 Cb 1.09 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 3ndn h VAL 180 CO 0.10 0.39 0.56 0.74 0.02 0.00 0.00 177.57 179.38 3ndn h THR 181 N 0.95 1.10 -0.38 2.57 2.02 -1.33 -0.24 112.91 117.60 3ndn h THR 181 Ca 0.18 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3ndn h THR 181 Cb 0.48 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3ndn h THR 181 CO 0.02 0.19 0.16 -0.08 0.37 0.00 0.00 175.52 176.19 3ndn h GLU 182 N 1.06 0.57 -0.54 6.66 4.81 -1.43 -1.68 114.58 124.03 3ndn h GLU 182 Ca 0.37 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3ndn h GLU 182 Cb 0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3ndn h GLU 182 CO -0.14 0.53 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.48 3ndn h LEU 183 N 0.48 1.03 -0.57 1.64 3.38 -1.39 -2.74 115.31 117.13 3ndn h LEU 183 Ca 0.13 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3ndn h LEU 183 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3ndn h LEU 183 CO -0.01 1.14 0.05 0.00 0.09 0.00 0.00 178.44 179.71 3ndn h ALA 184 N 0.95 0.77 -0.21 1.53 0.00 -0.90 -2.96 119.26 118.43 3ndn h ALA 184 Ca 0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3ndn h ALA 184 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ndn h ALA 184 CO 0.05 0.55 -0.33 0.45 0.00 0.00 0.00 179.25 179.98 3ndn h HIS 185 N 0.87 0.50 0.00 0.00 3.86 -1.26 -1.08 115.15 118.03 3ndn h HIS 185 Ca 0.17 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3ndn h HIS 185 Cb 0.48 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 3ndn h HIS 185 CO 0.04 0.71 -0.13 0.00 0.86 0.00 0.00 177.93 179.41 3ndn h ALA 186 N 1.28 1.76 -0.01 2.45 0.00 -1.42 -2.02 119.26 121.30 3ndn h ALA 186 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ndn h ALA 186 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ndn h ALA 186 CO 0.06 0.17 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 3ndn n ALA 187 N -2.50 2.69 -0.79 0.00 0.00 -0.90 -4.95 120.51 114.05 3ndn n ALA 187 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3ndn n ALA 187 Cb 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.18 0.57 3.91 0.00 0.00 -0.76 -2.21 105.19 107.89 3ndn n GLY 188 Ca 0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 3.60 -0.15 4.61 0.00 -0.46 -4.73 121.76 122.63 3ndn s ALA 189 Ca 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 3ndn s ALA 189 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 3ndn s ALA 189 CO 0.00 0.07 0.11 0.15 0.00 0.00 0.00 175.76 176.09 3ndn s LYS 190 N -3.95 3.70 -0.25 0.00 -0.14 -0.83 -4.30 119.74 113.97 3ndn s LYS 190 Ca 0.44 -0.23 -0.14 0.00 -1.36 0.00 0.00 55.97 54.68 3ndn s LYS 190 Cb -0.10 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 3ndn s LYS 190 CO 0.34 0.54 0.31 0.08 -0.76 0.00 0.00 175.35 175.86 3ndn s VAL 191 N -0.37 5.24 -0.28 3.17 1.01 -1.26 -1.77 120.40 126.14 3ndn s VAL 191 Ca 0.11 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 3ndn s VAL 191 Cb -0.12 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3ndn s VAL 191 CO 0.01 0.23 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 3ndn s VAL 192 N 1.67 4.44 -0.21 2.92 1.01 -0.16 -1.48 120.40 128.60 3ndn s VAL 192 Ca 0.13 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3ndn s VAL 192 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3ndn s VAL 192 CO 0.09 0.20 0.05 -0.22 0.00 0.00 0.00 175.10 175.21 3ndn s LEU 193 N 1.61 3.53 -0.38 3.92 2.96 -0.14 -2.93 118.68 127.26 3ndn s LEU 193 Ca 0.05 -0.10 -0.25 0.00 -0.22 0.00 0.00 54.13 53.61 3ndn s LEU 193 Cb -0.16 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3ndn s LEU 193 CO 0.05 0.06 0.89 -0.62 -1.32 0.00 0.00 176.35 175.42 3ndn s ASP 194 N 1.03 6.63 -0.27 3.68 -1.08 -0.94 -1.41 116.67 124.30 3ndn s ASP 194 Ca 0.04 0.48 0.11 0.00 -0.52 0.00 0.00 52.55 52.65 3ndn s ASP 194 Cb -0.14 -2.45 0.52 0.00 -1.46 0.00 0.00 42.92 39.39 3ndn s ASP 194 CO 0.03 -0.85 1.48 -3.20 0.52 0.00 0.00 175.17 173.15 3ndn n ASN 195 N 6.74 2.91 -0.00 -0.34 5.15 -0.98 -3.98 115.26 124.75 3ndn n ASN 195 Ca 0.06 -3.57 -0.11 0.00 -0.60 0.00 0.00 54.58 50.35 3ndn n ASN 195 Cb 0.48 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 39.05 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 1.19 1.09 -0.49 3.44 2.07 -1.92 -1.68 116.25 119.95 3ndn h VAL 196 Ca 0.19 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3ndn h VAL 196 Cb 1.69 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3ndn h VAL 196 CO 0.39 0.08 0.05 0.15 0.02 0.00 0.00 177.57 178.26 3ndn h PHE 197 N 0.05 0.81 0.11 1.57 3.57 -1.86 -3.24 116.94 117.94 3ndn h PHE 197 Ca 0.03 -0.09 -0.32 0.00 3.53 0.00 0.00 57.97 61.12 3ndn h PHE 197 Cb 0.08 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3ndn h PHE 197 CO -0.04 0.72 -1.69 0.00 -2.23 0.00 0.00 178.31 175.07 3ndn h ALA 198 N 1.33 0.39 -1.77 2.41 0.00 -1.82 -3.42 119.26 116.37 3ndn h ALA 198 Ca 0.15 -1.24 0.18 0.00 0.00 0.00 0.00 54.91 54.00 3ndn h ALA 198 Cb 0.37 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3ndn h ALA 198 CO 0.01 1.25 -0.60 0.25 0.00 0.00 0.00 179.25 180.16 3ndn n THR 199 N -3.40 -0.34 0.29 0.00 -2.24 -0.64 -3.86 114.28 104.09 3ndn n THR 199 Ca -0.21 0.42 0.15 0.00 -2.27 0.00 0.00 64.05 62.15 3ndn n THR 199 Cb 1.05 -0.67 0.73 0.00 -2.10 0.00 0.00 70.33 69.34 3ndn n THR 199 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ndn h PRO 200 N -0.72 0.00 0.00 -0.78 0.11 -1.83 -3.01 132.00 125.77 3ndn h PRO 200 Ca -0.09 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 3ndn h PRO 200 Cb 0.70 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 3ndn h PRO 200 CO 0.04 0.00 -0.55 -0.07 -0.21 0.00 0.00 178.00 177.21 3ndn h LEU 201 N 0.00 0.00 0.00 2.35 4.07 -1.94 -3.38 115.31 116.40 3ndn h LEU 201 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ndn h LEU 201 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3ndn h LEU 201 CO 0.00 0.55 -0.72 0.18 -1.08 0.00 0.00 178.44 177.37 3ndn n LEU 202 N -3.34 0.16 -3.68 1.67 4.77 -1.14 -4.87 117.00 110.57 3ndn n LEU 202 Ca 0.01 -0.28 -0.10 0.00 -0.03 0.00 0.00 56.01 55.61 3ndn n LEU 202 Cb 0.70 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 3ndn n LEU 202 CO 0.41 0.04 0.04 -1.58 -1.33 0.00 0.00 177.39 174.96 3ndn s GLN 203 N -1.94 0.36 -0.26 3.23 0.74 -1.18 -1.09 119.66 119.52 3ndn s GLN 203 Ca 0.00 0.86 0.02 0.00 0.05 0.00 0.00 55.36 56.29 3ndn s GLN 203 Cb 0.04 0.08 0.07 0.00 1.10 0.00 0.00 33.01 34.30 3ndn s GLN 203 CO 0.25 -0.19 -0.06 -0.65 -0.55 0.00 0.00 175.29 174.10 3ndn s GLN 204 N 1.80 1.79 0.19 1.67 -0.21 -1.26 -4.54 119.66 119.09 3ndn s GLN 204 Ca -0.07 -1.21 0.13 0.00 0.02 0.00 0.00 55.36 54.23 3ndn s GLN 204 Cb -0.10 -2.73 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 3ndn s GLN 204 CO -0.13 -0.64 1.29 0.78 -2.12 0.00 0.00 175.29 174.48 3ndn h GLY 205 N 7.86 0.00 1.00 3.09 0.00 -1.96 -3.36 103.07 109.70 3ndn h GLY 205 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3ndn h GLY 205 CO 0.44 0.00 0.29 0.74 0.00 0.00 0.00 176.54 178.01 3ndn h PHE 206 N 0.00 0.93 0.00 5.60 0.04 -1.93 -2.02 116.94 119.56 3ndn h PHE 206 Ca -0.04 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3ndn h PHE 206 Cb 1.55 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3ndn h PHE 206 CO 0.00 0.71 0.00 -1.35 -0.60 0.00 0.00 178.31 177.07 3ndn h PRO 207 N 0.88 0.00 -0.48 1.51 0.11 -1.93 -2.27 132.00 129.83 3ndn h PRO 207 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3ndn h PRO 207 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3ndn h PRO 207 CO -0.02 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.05 3ndn n LEU 208 N -2.98 2.92 0.00 2.35 4.77 -0.78 -4.96 117.00 118.31 3ndn n LEU 208 Ca -0.02 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.56 3ndn n LEU 208 Cb 0.10 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3ndn n LEU 208 CO 0.20 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3ndn n GLY 209 N 1.38 0.13 3.63 -0.72 0.00 -0.85 -4.46 105.19 104.29 3ndn n GLY 209 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3ndn n GLY 209 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ndn n VAL 210 N -1.90 2.47 -0.02 1.61 0.31 -1.07 -4.94 118.33 114.79 3ndn n VAL 210 Ca 0.00 -0.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.68 3ndn n VAL 210 Cb 0.00 -1.22 -0.14 0.00 -0.91 0.00 0.00 33.84 31.57 3ndn n VAL 210 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ndn n ASP 211 N 0.46 1.40 -3.77 4.52 8.00 -0.81 -4.65 116.55 121.69 3ndn n ASP 211 Ca 0.09 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.71 3ndn n ASP 211 Cb 0.39 -0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 41.00 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 -2.57 -0.04 -0.08 2.53 1.01 -0.55 -4.28 120.40 116.42 3ndn s VAL 212 Ca -0.14 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3ndn s VAL 212 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 3ndn s VAL 212 CO 0.79 0.07 -0.21 -0.69 0.00 0.00 0.00 175.10 175.06 3ndn s VAL 213 N 0.93 2.43 0.01 2.92 1.01 -0.39 -0.97 120.40 126.34 3ndn s VAL 213 Ca -0.07 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.05 3ndn s VAL 213 Cb -0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3ndn s VAL 213 CO -0.04 0.56 -0.18 0.68 0.00 0.00 0.00 175.10 176.13 3ndn s VAL 214 N 0.02 2.81 0.10 2.92 -7.23 -0.50 -1.23 120.40 117.29 3ndn s VAL 214 Ca -0.07 -1.04 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3ndn s VAL 214 Cb -0.15 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 3ndn s VAL 214 CO 0.05 0.44 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.79 3ndn s TYR 215 N -0.84 1.54 -0.27 2.82 2.02 -0.94 -2.31 117.35 119.37 3ndn s TYR 215 Ca 0.13 -0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 56.24 3ndn s TYR 215 Cb -0.10 -0.84 -0.04 0.00 -0.40 0.00 0.00 41.96 40.57 3ndn s TYR 215 CO 0.03 0.15 0.35 0.45 -1.57 0.00 0.00 175.55 174.96 3ndn s SER 216 N -1.93 6.23 0.54 2.29 0.15 -1.26 -2.06 113.70 117.66 3ndn s SER 216 Ca 0.04 0.26 0.33 0.00 0.70 0.00 0.00 55.95 57.27 3ndn s SER 216 Cb -0.09 -2.20 1.35 0.00 -1.71 0.00 0.00 66.02 63.37 3ndn s SER 216 CO 0.03 -0.16 1.98 1.23 1.20 0.00 0.00 173.24 177.52 3ndn h GLY 217 N 8.54 0.00 0.52 9.45 0.00 -0.34 -3.43 103.07 117.82 3ndn h GLY 217 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3ndn h GLY 217 CO 0.63 0.00 0.00 2.41 0.00 0.00 0.00 176.54 179.58 3ndn n THR 218 N -3.14 0.00 -0.52 4.70 -1.04 -1.21 -1.60 114.28 111.46 3ndn n THR 218 Ca 0.00 0.00 0.42 0.00 -2.04 0.00 0.00 64.05 62.44 3ndn n THR 218 Cb 0.31 -0.72 0.71 0.00 -1.82 0.00 0.00 70.33 68.82 3ndn n THR 218 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3ndn h HIS 220 N 0.00 0.34 -0.03 -1.42 3.86 -1.81 -3.42 115.15 112.67 3ndn h HIS 220 Ca 0.00 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3ndn h HIS 220 Cb 0.00 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 3ndn h HIS 220 CO 0.00 -0.16 -0.20 0.82 0.86 0.00 0.00 177.93 179.25 3ndn h ILE 221 N 0.04 0.52 0.31 2.45 2.04 -1.83 -2.57 117.51 118.47 3ndn h ILE 221 Ca 0.86 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.70 3ndn h ILE 221 Cb 2.97 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3ndn h ILE 221 CO -0.30 0.00 -0.15 -0.78 0.00 0.00 0.00 178.15 176.92 3ndn h ASP 222 N -0.31 -0.35 0.00 1.72 1.82 -1.55 -3.35 116.42 114.40 3ndn h ASP 222 Ca 0.07 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 3ndn h ASP 222 Cb 0.40 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.50 3ndn h ASP 222 CO -0.20 -0.16 0.00 0.61 -1.61 0.00 0.00 179.24 177.87 3ndn n GLY 223 N -0.97 2.81 0.38 -0.78 0.00 -0.97 -4.75 105.19 100.90 3ndn n GLY 223 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.99 0.31 -2.79 1.61 6.02 -1.26 -0.59 117.38 118.70 3ndn n GLN 224 Ca 0.00 -1.32 -0.21 0.00 -0.01 0.00 0.00 57.00 55.46 3ndn n GLN 224 Cb 0.00 -0.72 0.02 0.00 1.02 0.00 0.00 30.24 30.56 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 -0.31 -0.49 0.10 1.08 0.00 -1.26 -4.89 105.19 99.42 3ndn n GLY 225 Ca 0.03 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3ndn n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ndn n ARG 226 N -3.61 0.55 -4.35 1.61 1.74 -1.26 -5.06 116.66 106.28 3ndn n ARG 226 Ca -0.16 0.53 -0.18 0.00 -0.77 0.00 0.00 57.85 57.28 3ndn n ARG 226 Cb 0.64 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 3ndn n ARG 226 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ndn s VAL 227 N -2.37 0.89 0.07 1.55 -7.23 -1.26 -5.17 120.40 106.88 3ndn s VAL 227 Ca -0.28 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 57.89 3ndn s VAL 227 Cb 0.06 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3ndn s VAL 227 CO 0.51 -0.15 0.19 -0.76 -0.31 0.00 0.00 175.10 174.59 3ndn s LEU 228 N -3.34 4.26 -0.26 1.32 1.43 -1.26 -4.33 118.68 116.49 3ndn s LEU 228 Ca 0.33 0.22 -0.38 0.00 -1.03 0.00 0.00 54.13 53.27 3ndn s LEU 228 Cb 0.07 -2.87 0.15 0.00 0.03 0.00 0.00 46.19 43.57 3ndn s LEU 228 CO 0.12 0.17 1.34 -0.83 0.23 0.00 0.00 176.35 177.37 3ndn s GLY 229 N -2.52 -0.22 0.31 -3.19 0.00 -1.20 -4.76 107.32 95.74 3ndn s GLY 229 Ca 0.34 1.83 -0.01 0.00 0.00 0.00 0.00 44.72 46.89 3ndn s GLY 229 CO 0.27 0.61 0.37 -0.32 0.00 0.00 0.00 173.10 174.03 3ndn s GLY 230 N -2.06 1.62 -0.06 0.20 0.00 -0.52 0.43 107.32 106.93 3ndn s GLY 230 Ca 0.11 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 43.03 3ndn s GLY 230 CO -0.03 -1.15 0.38 0.00 0.00 0.00 0.00 173.10 172.30 3ndn s ALA 231 N -3.41 -0.97 -0.15 3.20 0.00 -0.87 -1.07 121.76 118.49 3ndn s ALA 231 Ca 0.34 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.99 3ndn s ALA 231 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3ndn s ALA 231 CO 0.20 -0.25 -0.16 0.42 0.00 0.00 0.00 175.76 175.97 3ndn s ILE 232 N -0.85 2.58 -0.06 0.00 1.01 -0.23 -2.22 121.20 121.43 3ndn s ILE 232 Ca -0.09 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.82 3ndn s ILE 232 Cb -0.04 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3ndn s ILE 232 CO 0.04 0.52 -0.24 -0.76 0.00 0.00 0.00 174.94 174.50 3ndn s LEU 233 N 0.84 2.05 0.00 2.97 1.43 -0.36 -0.83 118.68 124.78 3ndn s LEU 233 Ca -0.05 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3ndn s LEU 233 Cb -0.15 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3ndn s LEU 233 CO -0.01 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3ndn n GLY 234 N 3.01 -0.71 3.77 -3.19 0.00 -0.83 -1.26 105.19 105.97 3ndn n GLY 234 Ca -0.18 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3ndn n GLY 234 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ndn s ASP 235 N -4.00 5.84 0.22 1.61 1.11 -1.26 -1.89 116.67 118.29 3ndn s ASP 235 Ca 0.00 2.36 -0.09 0.00 0.18 0.00 0.00 52.55 55.00 3ndn s ASP 235 Cb 0.00 -2.60 0.20 0.00 1.07 0.00 0.00 42.92 41.59 3ndn s ASP 235 CO 0.00 -1.15 1.87 0.08 1.18 0.00 0.00 175.17 177.15 3ndn h ARG 236 N 1.67 0.95 -0.54 8.23 -0.00 -1.94 0.51 114.38 123.27 3ndn h ARG 236 Ca -0.50 -0.06 0.04 0.00 -0.00 0.00 0.00 59.98 59.46 3ndn h ARG 236 Cb 1.26 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.97 30.98 3ndn h ARG 236 CO 0.59 0.63 0.30 1.05 -0.00 0.00 0.00 179.97 182.53 3ndn h GLU 237 N 0.98 0.56 -0.01 0.08 9.09 -1.97 -1.08 114.58 122.23 3ndn h GLU 237 Ca 0.30 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.67 3ndn h GLU 237 Cb -0.04 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 26.94 3ndn h GLU 237 CO -0.09 0.37 -0.01 -0.92 0.05 0.00 0.00 179.01 178.41 3ndn h TYR 238 N 0.58 0.03 -0.22 2.06 3.20 -1.85 -2.14 116.97 118.63 3ndn h TYR 238 Ca 0.23 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3ndn h TYR 238 Cb 0.10 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3ndn h TYR 238 CO -0.08 0.46 0.08 0.82 -1.64 0.00 0.00 178.16 177.80 3ndn h ILE 239 N -0.41 1.17 0.00 1.81 1.08 -0.86 -2.75 117.51 117.56 3ndn h ILE 239 Ca 0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3ndn h ILE 239 Cb 0.45 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 3ndn h ILE 239 CO 0.00 0.17 0.00 0.47 -0.69 0.00 0.00 178.15 178.11 3ndn n ASP 240 N -4.80 0.76 0.00 1.72 8.00 -0.42 -1.49 116.55 120.32 3ndn n ASP 240 Ca -0.03 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.06 3ndn n ASP 240 Cb 0.14 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 1.07 0.16 0.29 0.44 0.00 -0.80 -4.55 105.19 101.80 3ndn n GLY 241 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 0.68 0.35 1.61 0.13 -1.77 -1.90 132.00 131.10 3ndn h PRO 242 Ca 0.00 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 3ndn h PRO 242 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.03 3ndn h PRO 242 CO 0.00 0.63 -0.17 0.28 -0.23 0.00 0.00 178.00 178.52 3ndn h VAL 243 N 0.66 0.67 -0.91 1.56 2.07 -1.65 -2.84 116.25 115.80 3ndn h VAL 243 Ca 0.15 -0.22 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3ndn h VAL 243 Cb 0.28 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3ndn h VAL 243 CO 0.00 0.04 0.59 -0.61 0.02 0.00 0.00 177.57 177.61 3ndn h GLN 244 N -0.59 0.95 -0.07 1.57 4.15 -1.16 -1.26 115.11 118.70 3ndn h GLN 244 Ca -0.05 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.33 3ndn h GLN 244 Cb 0.43 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3ndn h GLN 244 CO 0.08 0.63 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.35 3ndn h LYS 245 N 0.98 -0.03 -0.65 1.69 3.64 -1.30 -1.06 116.57 119.83 3ndn h LYS 245 Ca 0.41 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3ndn h LYS 245 Cb 0.30 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3ndn h LYS 245 CO -0.17 -0.02 0.13 -0.07 -2.27 0.00 0.00 179.45 177.06 3ndn h LEU 246 N -0.03 0.99 -0.12 5.20 3.38 -1.22 -2.36 115.31 121.15 3ndn h LEU 246 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3ndn h LEU 246 Cb 0.09 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ndn h LEU 246 CO -0.09 0.97 0.03 0.24 0.09 0.00 0.00 178.44 179.68 3ndn h MET 247 N 0.99 0.19 -0.56 1.13 2.86 -1.03 0.43 114.93 118.95 3ndn h MET 247 Ca 0.20 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3ndn h MET 247 Cb 0.38 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3ndn h MET 247 CO 0.01 0.35 0.24 -0.09 1.06 0.00 0.00 176.91 178.48 3ndn h ARG 248 N -0.00 0.82 0.00 1.72 2.43 -1.21 -2.17 114.38 115.97 3ndn h ARG 248 Ca 0.04 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 3ndn h ARG 248 Cb 0.25 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3ndn h ARG 248 CO 0.00 0.70 -1.80 0.72 -1.51 0.00 0.00 179.97 178.08 3ndn n HIS 249 N -4.52 0.49 0.84 2.20 8.25 -0.89 -4.25 115.22 117.34 3ndn n HIS 249 Ca 0.03 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.75 3ndn n HIS 249 Cb 0.15 -0.92 -0.13 0.00 1.12 0.00 0.00 29.99 30.21 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 -2.70 0.00 -3.48 1.59 -2.24 0.14 -5.06 114.28 102.54 3ndn n THR 250 Ca -0.14 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 3ndn n THR 250 Cb 0.85 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 70.01 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 1.46 -0.40 2.59 3.38 0.00 -0.82 -4.94 105.19 106.47 3ndn n GLY 251 Ca 0.03 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.52 3.83 -2.83 1.61 -0.04 -1.26 -4.98 135.00 126.81 3ndn n PRO 252 Ca -0.03 -3.04 -0.40 0.00 -0.04 0.00 0.00 63.50 59.99 3ndn n PRO 252 Cb 0.57 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 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 0.77 3.33 0.15 0.55 0.00 -1.26 -0.77 121.76 124.53 3ndn s ALA 253 Ca 0.53 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 3ndn s ALA 253 Cb 0.15 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 3ndn s ALA 253 CO -0.06 0.12 1.23 1.41 0.00 0.00 0.00 175.76 178.46 3ndn s MET 254 N -0.57 4.45 0.35 0.00 1.75 -1.26 -4.17 119.30 119.86 3ndn s MET 254 Ca 0.42 1.89 -0.28 0.00 -1.25 0.00 0.00 55.69 56.47 3ndn s MET 254 Cb -0.24 -3.26 -0.09 0.00 2.84 0.00 0.00 34.83 34.08 3ndn s MET 254 CO 0.29 -0.17 1.23 0.45 -0.65 0.00 0.00 175.02 176.16 3ndn s SER 255 N 0.44 6.74 0.38 1.11 0.15 -1.26 -4.94 113.70 116.32 3ndn s SER 255 Ca 0.56 2.51 0.04 0.00 0.70 0.00 0.00 55.95 59.76 3ndn s SER 255 Cb -0.33 -2.63 0.74 0.00 -1.71 0.00 0.00 66.02 62.08 3ndn s SER 255 CO 0.35 -0.54 2.03 0.00 1.20 0.00 0.00 173.24 176.28 3ndn h ALA 256 N 3.18 1.61 -0.16 5.45 0.00 -1.96 -0.94 119.26 126.45 3ndn h ALA 256 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3ndn h ALA 256 Cb 1.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ndn h ALA 256 CO 0.65 0.35 0.10 0.35 0.00 0.00 0.00 179.25 180.70 3ndn h PHE 257 N 0.71 0.20 -0.79 0.00 3.57 -1.93 -2.43 116.94 116.28 3ndn h PHE 257 Ca 0.19 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3ndn h PHE 257 Cb -0.07 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3ndn h PHE 257 CO 0.00 0.15 0.34 -0.91 -2.23 0.00 0.00 178.31 175.66 3ndn h ASN 258 N 0.20 1.07 -0.71 0.41 4.21 -1.78 -2.39 115.58 116.58 3ndn h ASN 258 Ca 0.06 -0.16 0.09 0.00 1.21 0.00 0.00 56.30 57.50 3ndn h ASN 258 Cb 0.01 -0.28 -0.07 0.00 -1.12 0.00 0.00 38.32 36.86 3ndn h ASN 258 CO -0.01 0.94 0.35 0.00 -1.29 0.00 0.00 177.43 177.42 3ndn h ALA 259 N 1.18 0.98 0.20 -0.83 0.00 -1.11 -1.37 119.26 118.31 3ndn h ALA 259 Ca 0.27 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ndn h ALA 259 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ndn h ALA 259 CO -0.03 -0.05 -0.16 2.35 0.00 0.00 0.00 179.25 181.37 3ndn h TRP 260 N 0.60 -0.41 -0.60 0.00 7.01 -1.04 -0.93 115.95 120.58 3ndn h TRP 260 Ca 0.35 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.45 3ndn h TRP 260 Cb 0.37 0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 27.50 3ndn h TRP 260 CO -0.11 -0.24 0.17 0.28 -2.79 0.00 0.00 178.44 175.76 3ndn h VAL 261 N -0.37 0.70 0.01 2.65 2.07 -1.06 -2.65 116.25 117.60 3ndn h VAL 261 Ca -0.01 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.20 3ndn h VAL 261 Cb 0.33 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3ndn h VAL 261 CO -0.01 0.06 -0.91 -0.07 0.02 0.00 0.00 177.57 176.66 3ndn h LEU 262 N 0.33 0.20 -0.72 2.57 3.38 -1.13 -2.19 115.31 117.75 3ndn h LEU 262 Ca 0.31 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3ndn h LEU 262 Cb 0.43 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3ndn h LEU 262 CO -0.35 1.00 -0.64 0.17 0.09 0.00 0.00 178.44 178.71 3ndn h LEU 263 N 0.08 0.01 -0.52 1.67 8.10 -1.02 -2.21 115.31 121.42 3ndn h LEU 263 Ca -0.04 -0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.78 3ndn h LEU 263 Cb 1.56 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.77 3ndn h LEU 263 CO 0.13 0.64 -0.62 0.11 -4.11 0.00 0.00 178.44 174.60 3ndn h LYS 264 N 0.00 0.43 -0.75 0.17 1.79 -1.44 -3.10 116.57 113.67 3ndn h LYS 264 Ca -0.01 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3ndn h LYS 264 Cb 1.13 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.79 3ndn h LYS 264 CO 0.08 0.92 0.46 0.78 -1.08 0.00 0.00 179.45 180.61 3ndn h GLY 265 N 1.22 1.07 2.00 3.86 0.00 -1.04 -2.75 103.07 107.43 3ndn h GLY 265 Ca -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3ndn h GLY 265 CO 0.11 0.42 -0.00 1.41 0.00 0.00 0.00 176.54 178.47 3ndn h LEU 266 N 1.03 0.00 -1.37 3.11 3.38 -1.32 -2.59 115.31 117.54 3ndn h LEU 266 Ca 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3ndn h LEU 266 Cb -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ndn h LEU 266 CO -0.05 0.00 -0.03 -0.33 0.09 0.00 0.00 178.44 178.12 3ndn h GLU 267 N 0.00 0.37 -0.22 1.13 5.08 -1.41 -3.06 114.58 116.46 3ndn h GLU 267 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ndn h GLU 267 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3ndn h GLU 267 CO 0.00 0.43 0.00 0.25 -1.00 0.00 0.00 179.01 178.69 3ndn n THR 268 N -4.31 0.32 -0.16 1.13 -2.24 -0.99 -4.58 114.28 103.46 3ndn n THR 268 Ca 0.00 -0.66 -0.04 0.00 -2.27 0.00 0.00 64.05 61.08 3ndn n THR 268 Cb 0.23 1.12 0.05 0.00 -2.10 0.00 0.00 70.33 69.63 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 3.85 0.35 0.27 3.22 5.85 -1.42 -2.13 115.31 125.30 3ndn h LEU 269 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ndn h LEU 269 Cb 0.86 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3ndn h LEU 269 CO 0.00 0.24 -0.46 0.00 -0.34 0.00 0.00 178.44 177.88 3ndn h ALA 270 N 1.28 -0.93 -0.30 1.25 0.00 -1.82 -1.82 119.26 116.92 3ndn h ALA 270 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ndn h ALA 270 Cb 0.14 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3ndn h ALA 270 CO -0.16 -1.08 -0.12 -0.84 0.00 0.00 0.00 179.25 177.05 3ndn h ILE 271 N -0.80 1.23 0.07 0.00 3.07 -1.88 -2.48 117.51 116.73 3ndn h ILE 271 Ca -0.02 -1.01 -0.00 0.00 1.55 0.00 0.00 64.86 65.38 3ndn h ILE 271 Cb 0.76 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3ndn h ILE 271 CO -0.17 0.33 -0.04 0.03 -1.05 0.00 0.00 178.15 177.25 3ndn h ARG 272 N 0.47 -0.10 -0.53 0.16 3.08 -1.26 -2.38 114.38 113.81 3ndn h ARG 272 Ca 0.09 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3ndn h ARG 272 Cb 0.49 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 3ndn h ARG 272 CO 0.03 0.23 0.26 0.28 -1.07 0.00 0.00 179.97 179.70 3ndn h VAL 273 N -0.44 0.93 -0.72 2.04 2.07 -1.34 -1.24 116.25 117.56 3ndn h VAL 273 Ca -0.01 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3ndn h VAL 273 Cb 0.38 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3ndn h VAL 273 CO 0.02 0.09 0.44 1.56 0.02 0.00 0.00 177.57 179.70 3ndn h GLN 274 N 0.50 0.82 -0.18 1.57 4.20 -1.44 0.28 115.11 120.86 3ndn h GLN 274 Ca 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3ndn h GLN 274 Cb 0.17 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3ndn h GLN 274 CO -0.18 0.55 -0.02 1.25 -0.67 0.00 0.00 178.83 179.76 3ndn h HIS 275 N 0.85 0.37 -0.04 2.96 2.76 -1.15 -2.85 115.15 118.05 3ndn h HIS 275 Ca 0.29 -0.07 -0.13 0.00 -2.20 0.00 0.00 60.37 58.26 3ndn h HIS 275 Cb 0.06 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3ndn h HIS 275 CO -0.05 0.57 -0.57 0.77 -1.30 0.00 0.00 177.93 177.35 3ndn h SER 276 N 0.07 0.16 -0.56 3.26 0.02 -0.99 -2.08 113.55 113.42 3ndn h SER 276 Ca 0.05 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3ndn h SER 276 Cb 0.44 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3ndn h SER 276 CO 0.01 0.70 0.23 -1.13 -1.14 0.00 0.00 176.83 175.50 3ndn h ASN 277 N 0.11 0.77 -0.38 3.07 -1.24 -0.48 -1.18 115.58 116.25 3ndn h ASN 277 Ca -0.00 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 3ndn h ASN 277 Cb 1.04 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 3ndn h ASN 277 CO 0.08 0.73 0.01 0.00 -1.29 0.00 0.00 177.43 176.97 3ndn h ALA 278 N 1.08 0.51 -0.31 1.57 0.00 -1.39 -2.37 119.26 118.35 3ndn h ALA 278 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ndn h ALA 278 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ndn h ALA 278 CO -0.02 0.27 0.14 1.03 0.00 0.00 0.00 179.25 180.67 3ndn h SER 279 N 0.48 0.41 -0.79 0.00 0.87 -1.31 -2.96 113.55 110.25 3ndn h SER 279 Ca 0.11 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 3ndn h SER 279 Cb 0.44 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 3ndn h SER 279 CO 0.02 0.44 0.50 0.00 -0.53 0.00 0.00 176.83 177.26 3ndn h ALA 280 N 0.99 1.05 -0.54 6.23 0.00 -1.17 -1.93 119.26 123.89 3ndn h ALA 280 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ndn h ALA 280 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ndn h ALA 280 CO -0.01 0.30 0.32 0.37 0.00 0.00 0.00 179.25 180.22 3ndn h GLN 281 N 0.96 0.60 -0.59 0.00 5.75 -1.37 0.04 115.11 120.51 3ndn h GLN 281 Ca 0.32 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.73 3ndn h GLN 281 Cb 0.04 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3ndn h GLN 281 CO -0.12 0.40 0.15 0.00 -2.65 0.00 0.00 178.83 176.60 3ndn h ARG 282 N 0.62 0.95 -0.50 1.69 3.08 -1.33 -2.33 114.38 116.56 3ndn h ARG 282 Ca 0.23 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3ndn h ARG 282 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3ndn h ARG 282 CO -0.11 0.87 0.09 0.82 -1.07 0.00 0.00 179.97 180.56 3ndn h ILE 283 N 0.86 1.25 -0.68 2.04 2.04 -1.04 -2.06 117.51 119.91 3ndn h ILE 283 Ca 0.19 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3ndn h ILE 283 Cb 0.35 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3ndn h ILE 283 CO 0.00 0.33 0.44 0.00 0.00 0.00 0.00 178.15 178.92 3ndn h ALA 284 N 0.98 0.87 -0.85 1.87 0.00 -0.91 -1.28 119.26 119.93 3ndn h ALA 284 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ndn h ALA 284 Cb 0.38 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ndn h ALA 284 CO 0.01 0.30 0.44 0.93 0.00 0.00 0.00 179.25 180.93 3ndn h GLU 285 N 0.93 1.21 -0.05 0.00 5.08 -1.32 -1.77 114.58 118.65 3ndn h GLU 285 Ca 0.25 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ndn h GLU 285 Cb -0.09 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 3ndn h GLU 285 CO -0.05 0.91 0.03 0.35 -1.00 0.00 0.00 179.01 179.25 3ndn h PHE 286 N 1.21 0.06 -0.11 4.33 3.57 -1.03 -3.02 116.94 121.94 3ndn h PHE 286 Ca 0.30 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 3ndn h PHE 286 Cb 0.07 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3ndn h PHE 286 CO 0.01 0.04 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.87 3ndn h LEU 287 N 0.07 0.18 -1.62 0.59 3.38 -1.13 -2.88 115.31 113.89 3ndn h LEU 287 Ca 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3ndn h LEU 287 Cb -0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ndn h LEU 287 CO -0.01 0.38 -0.15 -1.13 0.09 0.00 0.00 178.44 177.62 3ndn h ASN 288 N 0.17 0.00 -0.55 -0.43 -1.24 -1.19 -2.76 115.58 109.58 3ndn h ASN 288 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3ndn h ASN 288 Cb 0.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.49 3ndn h ASN 288 CO 0.03 0.15 0.00 0.61 -1.29 0.00 0.00 177.43 176.93 3ndn n GLY 289 N -0.34 2.03 3.75 1.57 0.00 -1.09 -5.01 105.19 106.12 3ndn n GLY 289 Ca -0.01 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.27 3.60 0.56 1.61 5.65 -1.04 -4.98 115.29 119.41 3ndn s HIS 290 Ca 0.44 0.99 0.26 0.00 0.25 0.00 0.00 55.06 56.99 3ndn s HIS 290 Cb 0.24 -2.51 1.52 0.00 -1.18 0.00 0.00 32.58 30.65 3ndn s HIS 290 CO 0.32 0.31 2.06 -1.35 -0.65 0.00 0.00 174.74 175.44 3ndn h PRO 291 N 6.05 0.00 -0.01 2.88 0.11 -1.95 -2.24 132.00 136.85 3ndn h PRO 291 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ndn h PRO 291 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ndn h PRO 291 CO 0.71 0.00 -0.05 0.45 -0.21 0.00 0.00 178.00 178.91 3ndn n SER 292 N -4.06 0.84 -4.34 -2.05 2.88 -1.26 -4.85 113.62 100.78 3ndn n SER 292 Ca 0.04 -1.11 -0.34 0.00 -1.33 0.00 0.00 58.87 56.12 3ndn n SER 292 Cb 0.40 -0.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.71 3ndn n SER 292 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3ndn s VAL 293 N -2.15 3.25 -0.08 2.46 1.01 -0.84 -1.80 120.40 122.26 3ndn s VAL 293 Ca 0.37 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 3ndn s VAL 293 Cb 0.21 -2.44 -0.26 0.00 0.00 0.00 0.00 36.38 33.89 3ndn s VAL 293 CO 0.39 0.47 0.92 -0.09 0.00 0.00 0.00 175.10 176.79 3ndn h ARG 294 N 7.53 0.15 -3.54 2.72 2.43 -1.19 -3.45 114.38 119.04 3ndn h ARG 294 Ca -0.36 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.54 3ndn h ARG 294 Cb 1.18 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.68 3ndn h ARG 294 CO 0.59 1.02 -0.14 1.67 -1.51 0.00 0.00 179.97 181.60 3ndn s TRP 295 N -2.71 0.01 -0.02 2.20 1.48 -1.23 -5.01 118.94 113.67 3ndn s TRP 295 Ca -0.16 -0.36 0.04 0.00 -1.06 0.00 0.00 56.10 54.55 3ndn s TRP 295 Cb -0.00 0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 32.48 3ndn s TRP 295 CO 0.75 -0.75 -0.13 0.08 -4.06 0.00 0.00 176.95 172.83 3ndn s VAL 296 N -3.87 1.07 -0.24 -0.66 1.01 -1.26 -1.64 120.40 114.82 3ndn s VAL 296 Ca 0.09 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.53 3ndn s VAL 296 Cb 0.02 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.54 3ndn s VAL 296 CO -0.06 0.31 -0.13 -0.13 0.00 0.00 0.00 175.10 175.09 3ndn s ARG 297 N -0.18 2.39 -0.21 2.72 1.81 0.14 -4.81 118.95 120.82 3ndn s ARG 297 Ca 0.03 -1.20 -0.09 0.00 -1.72 0.00 0.00 55.73 52.74 3ndn s ARG 297 Cb -0.07 -2.79 0.08 0.00 -0.45 0.00 0.00 34.95 31.72 3ndn s ARG 297 CO 0.00 -0.48 0.48 -0.47 -0.68 0.00 0.00 175.30 174.15 3ndn s TYR 298 N 1.16 -0.83 0.52 -0.53 5.04 -1.26 -3.01 117.35 118.44 3ndn s TYR 298 Ca -0.05 1.62 0.21 0.00 -2.44 0.00 0.00 57.07 56.41 3ndn s TYR 298 Cb -0.18 0.40 1.33 0.00 0.35 0.00 0.00 41.96 43.86 3ndn s TYR 298 CO -0.07 -0.46 2.06 -1.35 -1.34 0.00 0.00 175.55 174.39 3ndn h PRO 299 N 7.59 0.01 -0.69 4.97 0.11 -1.90 -2.21 132.00 139.89 3ndn h PRO 299 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ndn h PRO 299 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ndn h PRO 299 CO 0.19 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 178.65 3ndn n TYR 300 N -4.45 0.92 -3.03 0.65 0.53 -1.26 -4.67 117.16 105.86 3ndn n TYR 300 Ca 0.05 -0.46 -0.40 0.00 -1.02 0.00 0.00 57.90 56.06 3ndn n TYR 300 Cb 0.39 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.65 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 -1.03 4.20 0.62 7.72 2.96 -0.83 -4.97 118.68 127.35 3ndn s LEU 301 Ca 0.47 1.04 0.31 0.00 -0.22 0.00 0.00 54.13 55.73 3ndn s LEU 301 Cb 0.24 -3.05 1.67 0.00 0.50 0.00 0.00 46.19 45.55 3ndn s LEU 301 CO 0.32 -0.27 1.93 -0.65 -1.32 0.00 0.00 176.35 176.37 3ndn h PRO 302 N 7.22 0.00 0.00 0.98 0.11 -1.88 -1.04 132.00 137.39 3ndn h PRO 302 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 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 0.79 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 3ndn n SER 303 N -2.81 0.65 -4.73 -2.05 3.41 -1.26 -4.83 113.62 102.00 3ndn n SER 303 Ca -0.02 0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 58.79 3ndn n SER 303 Cb 0.30 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -3.22 2.97 0.58 7.33 5.04 -0.40 -4.89 115.29 122.71 3ndn s HIS 304 Ca 0.07 0.63 0.28 0.00 -1.54 0.00 0.00 55.06 54.50 3ndn s HIS 304 Cb 0.11 -3.99 1.57 0.00 0.04 0.00 0.00 32.58 30.30 3ndn s HIS 304 CO 0.46 -3.58 2.02 -1.35 -2.34 0.00 0.00 174.74 169.94 3ndn h PRO 305 N 6.26 0.00 -0.19 2.88 0.11 -1.91 -1.24 132.00 137.92 3ndn h PRO 305 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 3ndn h PRO 305 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3ndn h PRO 305 CO 0.89 0.00 -0.34 1.04 -0.21 0.00 0.00 178.00 179.38 3ndn n GLN 306 N -3.81 1.79 -0.30 1.05 6.02 -1.26 -4.82 117.38 116.04 3ndn n GLN 306 Ca 0.04 -3.31 0.09 0.00 -0.01 0.00 0.00 57.00 53.82 3ndn n GLN 306 Cb 0.47 -1.74 0.25 0.00 1.02 0.00 0.00 30.24 30.24 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 1.06 0.72 -0.61 1.08 3.20 -1.49 -1.70 116.97 119.23 3ndn h TYR 307 Ca 0.11 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3ndn h TYR 307 Cb 1.29 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 3ndn h TYR 307 CO 0.89 0.10 0.38 -0.44 -1.64 0.00 0.00 178.16 177.45 3ndn h ASP 308 N 0.54 0.73 -0.29 -2.11 3.32 -1.88 -1.78 116.42 114.95 3ndn h ASP 308 Ca 0.50 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.40 3ndn h ASP 308 Cb 0.80 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3ndn h ASP 308 CO -0.42 0.56 -0.14 0.25 -1.72 0.00 0.00 179.24 177.77 3ndn h LEU 309 N 0.83 0.72 -0.40 1.55 5.85 -1.77 -2.74 115.31 119.34 3ndn h LEU 309 Ca 0.22 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3ndn h LEU 309 Cb -0.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3ndn h LEU 309 CO -0.04 0.87 0.19 0.00 -0.34 0.00 0.00 178.44 179.12 3ndn h ALA 310 N 1.19 0.49 0.00 1.25 0.00 -0.84 -1.63 119.26 119.72 3ndn h ALA 310 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ndn h ALA 310 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ndn h ALA 310 CO 0.04 -0.17 -0.06 0.87 0.00 0.00 0.00 179.25 179.93 3ndn h LYS 311 N 0.39 0.00 -0.06 0.00 1.79 -1.27 -0.94 116.57 116.49 3ndn h LYS 311 Ca 0.17 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.58 3ndn h LYS 311 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3ndn h LYS 311 CO -0.13 0.06 -0.21 0.00 -1.08 0.00 0.00 179.45 178.08 3ndn h ARG 312 N 0.00 0.24 -0.01 3.15 3.08 -1.00 -3.40 114.38 116.44 3ndn h ARG 312 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3ndn h ARG 312 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3ndn h ARG 312 CO 0.01 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 3ndn n GLN 313 N -4.54 -0.13 -4.48 0.04 10.64 -0.90 -5.00 117.38 113.01 3ndn n GLN 313 Ca -0.08 -0.84 -0.24 0.00 -1.83 0.00 0.00 57.00 54.01 3ndn n GLN 313 Cb 0.44 -1.09 -0.13 0.00 -0.86 0.00 0.00 30.24 28.59 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 -0.44 1.20 0.00 2.61 -1.94 -0.36 -4.57 119.30 115.80 3ndn s MET 314 Ca 0.06 -0.94 0.24 0.00 -1.71 0.00 0.00 55.69 53.34 3ndn s MET 314 Cb 0.04 -1.31 0.30 0.00 2.01 0.00 0.00 34.83 35.87 3ndn s MET 314 CO 0.06 0.33 1.27 -1.13 -0.01 0.00 0.00 175.02 175.54 3ndn n SER 315 N 1.69 1.09 -3.77 3.03 3.41 -0.25 -4.56 113.62 114.25 3ndn n SER 315 Ca -0.18 -0.88 -0.07 0.00 -0.26 0.00 0.00 58.87 57.49 3ndn n SER 315 Cb 0.54 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.75 -0.20 0.31 5.00 0.00 -1.26 -5.06 107.32 103.37 3ndn s GLY 316 Ca 0.16 -0.06 0.20 0.00 0.00 0.00 0.00 44.72 45.02 3ndn s GLY 316 CO 0.66 -0.02 1.36 -1.33 0.00 0.00 0.00 173.10 173.77 3ndn h GLY 317 N 2.00 0.00 0.00 0.20 0.00 -1.92 -3.46 103.07 99.88 3ndn h GLY 317 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3ndn h GLY 317 CO 0.26 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.41 3ndn n GLY 318 N 1.18 -0.50 0.16 4.60 0.00 -1.26 -4.43 105.19 104.94 3ndn n GLY 318 Ca 0.01 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.85 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 0.41 -5.14 2.61 -2.24 -1.26 -4.29 114.28 104.36 3ndn n THR 319 Ca 0.00 -0.70 -0.32 0.00 -2.27 0.00 0.00 64.05 60.76 3ndn n THR 319 Cb 0.00 0.84 -0.15 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.57 2.41 -0.11 2.28 1.01 -1.26 -1.40 120.40 122.76 3ndn s VAL 320 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3ndn s VAL 320 Cb 0.03 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3ndn s VAL 320 CO 0.04 0.58 -0.17 -0.69 0.00 0.00 0.00 175.10 174.86 3ndn s VAL 321 N -0.47 1.63 -0.06 2.92 1.01 -0.38 -4.91 120.40 120.14 3ndn s VAL 321 Ca 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3ndn s VAL 321 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3ndn s VAL 321 CO 0.01 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 174.57 3ndn s THR 322 N 0.90 3.29 0.09 3.92 2.01 -1.16 -0.89 115.64 123.79 3ndn s THR 322 Ca -0.08 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 3ndn s THR 322 Cb -0.15 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.05 3ndn s THR 322 CO -0.01 0.59 0.24 0.72 -0.69 0.00 0.00 174.62 175.48 3ndn s PHE 323 N -0.71 0.05 -0.03 4.92 -0.12 -0.54 -0.68 117.98 120.86 3ndn s PHE 323 Ca 0.11 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 56.63 3ndn s PHE 323 Cb -0.11 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 3ndn s PHE 323 CO 0.01 -0.56 -0.16 0.00 -0.05 0.00 0.00 175.22 174.46 3ndn s ALA 324 N -3.59 2.62 0.44 1.99 0.00 -0.65 -0.90 121.76 121.67 3ndn s ALA 324 Ca 0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 3ndn s ALA 324 Cb 0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 23.12 22.15 3ndn s ALA 324 CO -0.10 0.56 0.95 -0.51 0.00 0.00 0.00 175.76 176.66 3ndn s LEU 325 N -0.89 3.89 -1.06 0.00 1.43 -0.69 -0.81 118.68 120.55 3ndn s LEU 325 Ca 0.12 1.65 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 3ndn s LEU 325 Cb -0.11 -4.51 0.12 0.00 0.03 0.00 0.00 46.19 41.72 3ndn s LEU 325 CO 0.02 -0.39 1.34 -0.62 0.23 0.00 0.00 176.35 176.93 3ndn s ASP 326 N -2.33 6.74 -0.22 2.29 2.15 -0.74 -4.46 116.67 120.09 3ndn s ASP 326 Ca 0.61 -2.21 -0.15 0.00 0.43 0.00 0.00 52.55 51.23 3ndn s ASP 326 Cb -0.09 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 3ndn s ASP 326 CO 0.16 -1.09 0.55 0.00 -0.17 0.00 0.00 175.17 174.63 3ndn n PRO 328 N 3.78 0.88 -0.30 0.00 -0.02 -1.26 -4.71 135.00 133.36 3ndn n PRO 328 Ca -0.19 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3ndn n PRO 328 Cb 0.57 -2.09 0.16 0.00 -0.02 0.00 0.00 33.50 32.12 3ndn n PRO 328 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ndn h GLU 329 N 0.54 1.17 0.00 -0.52 4.57 -1.99 -2.27 114.58 116.08 3ndn h GLU 329 Ca -0.48 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 3ndn h GLU 329 Cb 1.37 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3ndn h GLU 329 CO 0.51 0.79 -0.03 0.38 -1.18 0.00 0.00 179.01 179.47 3ndn h ASP 330 N 1.20 0.00 0.00 1.04 3.04 -2.03 -2.86 116.42 116.82 3ndn h ASP 330 Ca 0.32 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 3ndn h ASP 330 Cb -0.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.18 3ndn h ASP 330 CO -0.07 0.03 -0.01 1.33 -2.04 0.00 0.00 179.24 178.49 3ndn n VAL 331 N -3.50 0.92 -0.10 4.15 0.24 -1.03 -4.83 118.33 114.18 3ndn n VAL 331 Ca -0.02 -0.96 -0.02 0.00 -2.04 0.00 0.00 64.34 61.30 3ndn n VAL 331 Cb 0.14 0.50 0.22 0.00 -1.47 0.00 0.00 33.84 33.23 3ndn n VAL 331 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ndn h ALA 332 N 0.00 1.25 -0.50 2.33 0.00 -1.17 -2.95 119.26 118.22 3ndn h ALA 332 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3ndn h ALA 332 Cb 0.63 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ndn h ALA 332 CO 0.00 0.52 0.27 -0.22 0.00 0.00 0.00 179.25 179.81 3ndn h LYS 333 N 0.73 0.51 -0.58 0.00 3.64 -1.80 -0.13 116.57 118.94 3ndn h LYS 333 Ca 0.16 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3ndn h LYS 333 Cb 0.30 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3ndn h LYS 333 CO 0.00 0.34 0.24 1.96 -2.27 0.00 0.00 179.45 179.72 3ndn h GLN 334 N 0.52 0.43 -0.46 1.90 4.20 -1.88 -1.72 115.11 118.11 3ndn h GLN 334 Ca 0.22 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 3ndn h GLN 334 Cb 0.10 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3ndn h GLN 334 CO -0.14 0.29 -0.13 -0.09 -0.67 0.00 0.00 178.83 178.09 3ndn h ARG 335 N 0.45 0.90 -0.84 1.46 9.65 -1.37 -2.50 114.38 122.13 3ndn h ARG 335 Ca 0.28 -0.35 0.01 0.00 -1.10 0.00 0.00 59.98 58.82 3ndn h ARG 335 Cb 0.30 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 3ndn h ARG 335 CO -0.26 1.00 0.55 0.00 2.80 0.00 0.00 179.97 184.07 3ndn h ALA 336 N 0.87 1.06 -0.62 2.80 0.00 -0.79 -2.48 119.26 120.11 3ndn h ALA 336 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ndn h ALA 336 Cb 0.68 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ndn h ALA 336 CO 0.05 0.45 0.09 0.74 0.00 0.00 0.00 179.25 180.58 3ndn h PHE 337 N 1.12 1.10 -0.55 0.00 -1.00 -1.26 -2.20 116.94 114.15 3ndn h PHE 337 Ca 0.31 -0.16 0.06 0.00 2.81 0.00 0.00 57.97 60.99 3ndn h PHE 337 Cb -0.11 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 39.10 3ndn h PHE 337 CO -0.02 0.95 0.26 1.49 -1.61 0.00 0.00 178.31 179.38 3ndn h GLU 338 N 0.94 0.48 0.12 1.51 4.81 -1.21 -1.55 114.58 119.67 3ndn h GLU 338 Ca 0.19 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3ndn h GLU 338 Cb 0.45 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3ndn h GLU 338 CO 0.01 0.32 -0.06 0.28 -0.73 0.00 0.00 179.01 178.83 3ndn h VAL 339 N 0.49 1.03 -0.92 0.32 2.07 -1.25 -3.10 116.25 114.89 3ndn h VAL 339 Ca 0.25 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ndn h VAL 339 Cb 0.20 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3ndn h VAL 339 CO -0.20 0.16 0.57 -0.07 0.02 0.00 0.00 177.57 178.05 3ndn h LEU 340 N -0.47 1.10 -2.26 2.57 4.07 -1.35 -2.16 115.31 116.82 3ndn h LEU 340 Ca -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3ndn h LEU 340 Cb 0.38 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3ndn h LEU 340 CO 0.03 0.83 0.00 0.44 -1.08 0.00 0.00 178.44 178.66 3ndn h ASP 341 N 1.27 0.00 0.82 -0.43 3.32 -1.31 -2.89 116.42 117.20 3ndn h ASP 341 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3ndn h ASP 341 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3ndn h ASP 341 CO -0.07 0.00 -0.51 0.29 -1.72 0.00 0.00 179.24 177.24 3ndn n LYS 342 N -3.02 0.19 -1.91 3.56 5.02 -0.81 -4.92 118.16 116.27 3ndn n LYS 342 Ca -0.01 0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 3ndn n LYS 342 Cb 0.17 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3ndn n LYS 342 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3ndn s MET 343 N -3.11 3.90 0.00 1.97 -1.94 -1.09 -4.69 119.30 114.34 3ndn s MET 343 Ca 0.08 2.35 0.00 0.00 -1.71 0.00 0.00 55.69 56.41 3ndn s MET 343 Cb 0.15 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 34.21 3ndn s MET 343 CO 0.69 -0.61 0.00 0.54 -0.01 0.00 0.00 175.02 175.63 3ndn n ARG 344 N 0.10 3.60 -0.05 2.03 5.12 -1.26 -4.87 116.66 121.32 3ndn n ARG 344 Ca 0.03 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 3ndn n ARG 344 Cb 0.42 -0.62 -0.04 0.00 -1.16 0.00 0.00 32.46 31.05 3ndn n ARG 344 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3ndn n LEU 345 N -0.98 1.00 -4.73 0.55 7.94 -1.26 -5.01 117.00 114.51 3ndn n LEU 345 Ca 0.00 0.17 -0.42 0.00 -1.11 0.00 0.00 56.01 54.65 3ndn n LEU 345 Cb 0.00 -0.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.52 3ndn n LEU 345 CO 0.00 0.12 1.06 -0.63 -1.11 0.00 0.00 177.39 176.82 3ndn s ILE 346 N -2.26 3.00 0.18 1.96 1.01 -1.26 -4.95 121.20 118.87 3ndn s ILE 346 Ca -0.17 0.80 -0.18 0.00 0.00 0.00 0.00 60.65 61.10 3ndn s ILE 346 Cb 0.06 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 3ndn s ILE 346 CO 0.22 0.11 0.65 -1.81 0.00 0.00 0.00 174.94 174.11 3ndn s ASP 347 N 0.54 7.00 -0.32 3.58 1.01 -1.14 -4.88 116.67 122.45 3ndn s ASP 347 Ca 0.60 1.30 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 3ndn s ASP 347 Cb -0.39 -2.37 0.01 0.00 1.01 0.00 0.00 42.92 41.17 3ndn s ASP 347 CO 0.38 0.09 1.28 -0.63 0.21 0.00 0.00 175.17 176.50 3ndn s ILE 348 N -1.44 4.16 -0.08 0.77 1.01 -1.26 -1.06 121.20 123.30 3ndn s ILE 348 Ca 0.39 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 62.04 3ndn s ILE 348 Cb -0.17 -4.22 0.07 0.00 0.01 0.00 0.00 42.46 38.16 3ndn s ILE 348 CO 0.20 -0.54 0.71 -0.55 0.00 0.00 0.00 174.94 174.77 3ndn s SER 349 N 2.75 -0.64 -1.07 3.58 0.15 -0.47 -4.92 113.70 113.08 3ndn s SER 349 Ca 0.55 0.74 -0.11 0.00 0.70 0.00 0.00 55.95 57.83 3ndn s SER 349 Cb -0.15 0.59 0.24 0.00 -1.71 0.00 0.00 66.02 64.98 3ndn s SER 349 CO 0.24 -0.56 1.12 0.54 1.20 0.00 0.00 173.24 175.77 3ndn s ASN 350 N -1.07 7.15 0.24 5.45 4.22 -1.26 -4.14 114.94 125.52 3ndn s ASN 350 Ca -0.09 -3.25 -0.22 0.00 -2.14 0.00 0.00 52.86 47.16 3ndn s ASN 350 Cb -0.00 -2.26 0.04 0.00 1.28 0.00 0.00 41.25 40.31 3ndn s ASN 350 CO 0.09 -0.46 0.85 0.21 -2.04 0.00 0.00 177.10 175.74 3ndn s ASN 351 N 1.87 -0.18 0.28 3.54 3.84 -1.26 -5.12 114.94 117.92 3ndn s ASN 351 Ca 0.31 -0.60 -0.12 0.00 0.21 0.00 0.00 52.86 52.66 3ndn s ASN 351 Cb -0.08 0.63 0.01 0.00 -0.55 0.00 0.00 41.25 41.26 3ndn s ASN 351 CO -0.07 -1.19 0.54 -1.48 -2.79 0.00 0.00 177.10 172.11 3ndn s LEU 352 N -2.98 0.36 -0.52 3.21 0.05 -1.26 -4.83 118.68 112.70 3ndn s LEU 352 Ca 0.13 -1.03 0.00 0.00 0.05 0.00 0.00 54.13 53.28 3ndn s LEU 352 Cb -0.04 1.93 0.00 0.00 -2.05 0.00 0.00 46.19 46.03 3ndn s LEU 352 CO 0.06 -1.26 0.00 0.61 -0.55 0.00 0.00 176.35 175.21 3ndn n GLY 353 N -0.44 0.46 3.72 -3.48 0.00 -1.26 -4.61 105.19 99.58 3ndn n GLY 353 Ca -0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.84 5.18 0.58 1.61 -1.08 -1.26 -3.63 116.67 115.22 3ndn s ASP 354 Ca 0.00 -0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.14 3ndn s ASP 354 Cb 0.00 -1.27 1.73 0.00 -1.46 0.00 0.00 42.92 41.92 3ndn s ASP 354 CO 0.00 0.14 2.23 0.00 0.52 0.00 0.00 175.17 178.07 3ndn h ALA 355 N 3.12 1.57 -2.51 3.66 0.00 -1.19 -3.37 119.26 120.54 3ndn h ALA 355 Ca -0.47 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 53.86 3ndn h ALA 355 Cb 1.18 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3ndn h ALA 355 CO 0.61 0.01 0.27 0.15 0.00 0.00 0.00 179.25 180.29 3ndn s LYS 356 N -4.66 4.39 0.36 0.00 1.02 -1.26 -0.64 119.74 118.95 3ndn s LYS 356 Ca -0.05 1.03 -0.26 0.00 0.02 0.00 0.00 55.97 56.70 3ndn s LYS 356 Cb 0.15 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.87 3ndn s LYS 356 CO 0.56 -0.13 1.14 -1.12 -0.92 0.00 0.00 175.35 174.88 3ndn s SER 357 N 0.99 6.79 0.03 2.83 0.01 -1.26 -4.59 113.70 118.50 3ndn s SER 357 Ca 0.40 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.96 3ndn s SER 357 Cb -0.18 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 3ndn s SER 357 CO 0.17 -0.48 -0.04 -0.76 0.41 0.00 0.00 173.24 172.54 3ndn s LEU 358 N -2.18 2.26 0.03 2.44 1.43 -0.67 -2.90 118.68 119.08 3ndn s LEU 358 Ca 0.53 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3ndn s LEU 358 Cb -0.30 0.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.94 3ndn s LEU 358 CO 0.38 -0.29 -0.14 0.54 0.23 0.00 0.00 176.35 177.07 3ndn s VAL 359 N -1.57 1.07 0.03 -1.59 0.11 -0.23 -0.50 120.40 117.71 3ndn s VAL 359 Ca -0.13 -0.95 -0.06 0.00 -2.93 0.00 0.00 61.98 57.91 3ndn s VAL 359 Cb -0.09 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3ndn s VAL 359 CO -0.01 0.02 0.10 0.28 -3.33 0.00 0.00 175.10 172.15 3ndn s THR 360 N -0.81 0.12 -0.57 5.04 -1.32 -0.59 -1.36 115.64 116.14 3ndn s THR 360 Ca 0.01 -0.96 -0.13 0.00 -1.21 0.00 0.00 61.69 59.40 3ndn s THR 360 Cb -0.08 -0.71 0.14 0.00 -1.51 0.00 0.00 72.50 70.35 3ndn s THR 360 CO 0.01 -0.53 0.49 -2.28 -2.21 0.00 0.00 174.62 170.10 3ndn s HIS 361 N -2.16 3.41 0.29 9.09 2.46 -1.26 -2.13 115.29 124.97 3ndn s HIS 361 Ca -0.09 -1.69 -0.01 0.00 0.47 0.00 0.00 55.06 53.74 3ndn s HIS 361 Cb -0.04 -3.67 0.45 0.00 -0.13 0.00 0.00 32.58 29.19 3ndn s HIS 361 CO -0.02 -1.00 1.92 -1.35 -2.47 0.00 0.00 174.74 171.82 3ndn h PRO 362 N 8.45 1.10 0.00 2.88 0.11 -1.95 -2.91 132.00 139.68 3ndn h PRO 362 Ca -0.18 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3ndn h PRO 362 Cb 1.07 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 3ndn h PRO 362 CO 0.91 0.73 -0.05 0.00 -0.21 0.00 0.00 178.00 179.38 3ndn h ALA 363 N 1.47 1.29 -0.09 -0.75 0.00 -1.87 -1.25 119.26 118.07 3ndn h ALA 363 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ndn h ALA 363 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ndn h ALA 363 CO -0.13 0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.43 3ndn n THR 364 N -3.56 0.25 0.00 0.00 -2.24 -1.11 -3.88 114.28 103.73 3ndn n THR 364 Ca -0.02 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3ndn n THR 364 Cb 0.15 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.53 0.00 0.28 4.28 -2.24 -0.91 -4.77 114.28 111.46 3ndn n THR 365 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3ndn n THR 365 Cb 0.29 0.00 0.81 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.70 0.00 4.28 1.35 -1.78 -2.84 112.91 114.62 3ndn h THR 366 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 3ndn h THR 366 Cb 0.00 0.99 -0.07 0.00 -1.73 0.00 0.00 68.15 67.34 3ndn h THR 366 CO 0.00 0.00 -0.46 1.41 -0.25 0.00 0.00 175.52 176.22 3ndn n HIS 367 N -4.10 0.00 -0.10 4.73 8.25 -0.52 -4.37 115.22 119.11 3ndn n HIS 367 Ca -0.03 -0.98 -0.03 0.00 -0.26 0.00 0.00 57.72 56.41 3ndn n HIS 367 Cb 0.10 -0.18 0.19 0.00 1.12 0.00 0.00 29.99 31.22 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 0.60 0.76 -0.53 -0.41 2.43 -1.56 -3.24 114.38 112.43 3ndn h ARG 368 Ca -0.04 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3ndn h ARG 368 Cb 1.22 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3ndn h ARG 368 CO 0.02 0.75 0.24 0.00 -1.51 0.00 0.00 179.97 179.47 3ndn h ALA 369 N 1.32 1.44 -0.83 2.80 0.00 -1.86 -2.93 119.26 119.21 3ndn h ALA 369 Ca 0.15 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.16 3ndn h ALA 369 Cb 0.39 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3ndn h ALA 369 CO 0.01 0.44 0.57 0.52 0.00 0.00 0.00 179.25 180.80 3ndn h MET 370 N 0.74 0.19 -0.15 0.00 2.86 -1.94 -3.49 114.93 113.15 3ndn h MET 370 Ca 0.18 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3ndn h MET 370 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3ndn h MET 370 CO -0.02 0.13 -0.05 0.41 1.06 0.00 0.00 176.91 178.44 3ndn n GLY 371 N -1.61 -2.26 0.36 8.32 0.00 -1.11 -3.59 105.19 105.31 3ndn n GLY 371 Ca 0.17 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.78 3ndn n GLY 371 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ndn h PRO 372 N -0.06 0.94 -0.09 1.61 0.11 -1.94 -1.31 132.00 131.26 3ndn h PRO 372 Ca -0.01 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3ndn h PRO 372 Cb 0.06 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 30.96 3ndn h PRO 372 CO 0.00 0.62 -0.48 0.93 -0.21 0.00 0.00 178.00 178.87 3ndn h GLU 373 N 0.97 0.48 -0.65 1.05 3.07 -2.00 -2.36 114.58 115.14 3ndn h GLU 373 Ca 0.39 -0.40 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3ndn h GLU 373 Cb 0.25 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3ndn h GLU 373 CO -0.15 1.03 0.36 0.78 -1.40 0.00 0.00 179.01 179.64 3ndn h GLY 374 N 0.04 0.95 0.99 -3.84 0.00 -1.54 -2.60 103.07 97.08 3ndn h GLY 374 Ca -0.04 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 3ndn h GLY 374 CO 0.10 0.40 -0.49 3.21 0.00 0.00 0.00 176.54 179.75 3ndn h ARG 375 N 0.90 0.67 -0.70 4.80 3.08 -1.30 -3.23 114.38 118.60 3ndn h ARG 375 Ca 0.23 -0.47 0.08 0.00 0.07 0.00 0.00 59.98 59.89 3ndn h ARG 375 Cb 0.01 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3ndn h ARG 375 CO -0.04 1.09 0.46 0.00 -1.07 0.00 0.00 179.97 180.41 3ndn h ALA 376 N 0.58 1.79 0.00 0.04 0.00 -1.24 -2.13 119.26 118.30 3ndn h ALA 376 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ndn h ALA 376 Cb 1.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ndn h ALA 376 CO 0.11 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 179.35 3ndn h ALA 377 N 1.63 1.29 -0.38 0.00 0.00 -1.48 -2.38 119.26 117.94 3ndn h ALA 377 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ndn h ALA 377 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ndn h ALA 377 CO -0.11 0.11 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3ndn n ILE 378 N -3.61 1.38 -1.32 0.00 -5.35 -0.91 -5.00 119.36 104.55 3ndn n ILE 378 Ca -0.02 -1.22 -0.06 0.00 -0.27 0.00 0.00 62.75 61.18 3ndn n ILE 378 Cb 0.21 0.29 -0.02 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.41 0.72 3.32 3.28 0.00 -0.90 -4.96 105.19 107.07 3ndn n GLY 379 Ca 0.16 -0.77 -0.47 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.38 6.70 0.00 0.99 2.96 -0.85 -5.01 118.68 122.09 3ndn s LEU 380 Ca 0.00 -2.70 -0.09 0.00 -0.22 0.00 0.00 54.13 51.12 3ndn s LEU 380 Cb 0.00 -2.19 0.19 0.00 0.50 0.00 0.00 46.19 44.68 3ndn s LEU 380 CO 0.00 -0.56 1.17 0.61 -1.32 0.00 0.00 176.35 176.25 3ndn n GLY 381 N 3.95 -0.48 0.01 7.98 0.00 -1.26 -4.49 105.19 110.89 3ndn n GLY 381 Ca 0.14 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.37 3ndn n GLY 381 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ndn n ASP 382 N -3.40 0.03 -0.70 1.61 9.92 -1.26 -2.97 116.55 119.77 3ndn n ASP 382 Ca 0.17 0.51 0.13 0.00 -0.53 0.00 0.00 54.79 55.06 3ndn n ASP 382 Cb 0.58 -0.51 0.27 0.00 -0.64 0.00 0.00 41.12 40.82 3ndn n ASP 382 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ndn n GLY 383 N 0.06 0.46 3.75 0.44 0.00 -1.26 -3.73 105.19 104.91 3ndn n GLY 383 Ca 0.04 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.06 4.41 -0.01 1.61 1.01 -1.16 -1.71 120.40 122.49 3ndn s VAL 384 Ca 0.31 1.88 0.03 0.00 0.00 0.00 0.00 61.98 64.20 3ndn s VAL 384 Cb 0.20 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3ndn s VAL 384 CO 0.35 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 175.10 3ndn s VAL 385 N -0.60 0.67 -0.11 2.92 1.01 -0.08 -4.36 120.40 119.84 3ndn s VAL 385 Ca 0.41 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3ndn s VAL 385 Cb -0.23 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3ndn s VAL 385 CO 0.28 0.19 -0.21 -0.60 0.00 0.00 0.00 175.10 174.76 3ndn s ARG 386 N -0.16 2.78 -0.17 2.72 3.52 -0.91 -1.47 118.95 125.27 3ndn s ARG 386 Ca 0.03 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 3ndn s ARG 386 Cb -0.04 -2.20 -0.00 0.00 -1.56 0.00 0.00 34.95 31.15 3ndn s ARG 386 CO -0.00 0.06 -0.12 0.42 -0.81 0.00 0.00 175.30 174.85 3ndn s ILE 387 N 0.64 2.91 -0.24 4.11 1.01 -0.07 -1.55 121.20 128.02 3ndn s ILE 387 Ca -0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3ndn s ILE 387 Cb -0.16 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3ndn s ILE 387 CO 0.03 0.49 0.35 -0.55 0.00 0.00 0.00 174.94 175.26 3ndn s SER 388 N 0.97 6.31 -0.18 3.58 0.15 0.34 -1.25 113.70 123.61 3ndn s SER 388 Ca -0.02 0.36 -0.15 0.00 0.70 0.00 0.00 55.95 56.84 3ndn s SER 388 Cb -0.15 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 3ndn s SER 388 CO -0.01 -0.10 0.35 -0.69 1.20 0.00 0.00 173.24 173.99 3ndn s VAL 389 N 1.58 5.24 0.00 4.45 1.01 -0.49 -1.67 120.40 130.52 3ndn s VAL 389 Ca 0.16 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3ndn s VAL 389 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3ndn s VAL 389 CO 0.08 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3ndn n GLY 390 N 3.73 2.90 0.66 4.51 0.00 -1.26 -4.85 105.19 110.88 3ndn n GLY 390 Ca -0.10 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.25 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 2.55 -4.72 0.99 4.77 0.18 -4.59 117.00 116.18 3ndn n LEU 391 Ca 0.00 -1.36 -0.31 0.00 -0.03 0.00 0.00 56.01 54.31 3ndn n LEU 391 Cb 0.00 -0.11 0.12 0.00 -2.33 0.00 0.00 43.42 41.11 3ndn n LEU 391 CO 0.00 0.54 0.70 -1.61 -1.33 0.00 0.00 177.39 175.69 3ndn s GLU 392 N -1.12 1.69 0.09 3.23 8.01 -1.26 -4.93 118.70 124.41 3ndn s GLU 392 Ca 0.21 1.41 -0.35 0.00 0.01 0.00 0.00 54.97 56.25 3ndn s GLU 392 Cb 0.13 -1.81 -0.15 0.00 -4.31 0.00 0.00 34.13 27.99 3ndn s GLU 392 CO 0.19 -2.11 1.51 -3.47 0.01 0.00 0.00 175.26 171.39 3ndn n ASP 393 N -3.74 2.51 -0.24 -0.19 2.03 -1.26 -4.88 116.55 110.78 3ndn n ASP 393 Ca 0.11 1.09 0.05 0.00 0.52 0.00 0.00 54.79 56.56 3ndn n ASP 393 Cb 0.52 -1.32 0.29 0.00 -0.72 0.00 0.00 41.12 39.90 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 3.70 1.05 -0.00 5.18 2.02 -1.97 -2.23 112.91 120.66 3ndn h THR 394 Ca -0.46 -0.31 -0.17 0.00 0.77 0.00 0.00 66.41 66.24 3ndn h THR 394 Cb 1.29 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3ndn h THR 394 CO 0.85 0.16 -0.80 0.44 0.37 0.00 0.00 175.52 176.55 3ndn h ASP 395 N 0.90 0.06 -0.94 4.18 3.32 -1.99 -1.85 116.42 120.10 3ndn h ASP 395 Ca 0.34 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3ndn h ASP 395 Cb 0.20 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 3ndn h ASP 395 CO -0.12 0.83 0.59 0.44 -1.72 0.00 0.00 179.24 179.26 3ndn h ASP 396 N 0.03 1.11 0.02 6.45 3.32 -1.79 -1.65 116.42 123.90 3ndn h ASP 396 Ca -0.02 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3ndn h ASP 396 Cb 1.40 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3ndn h ASP 396 CO 0.11 0.83 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.38 3ndn h LEU 397 N 1.28 -0.02 -1.10 1.55 3.38 -1.34 -2.68 115.31 116.38 3ndn h LEU 397 Ca 0.34 -0.49 0.19 0.00 0.09 0.00 0.00 57.88 58.01 3ndn h LEU 397 Cb -0.09 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.57 3ndn h LEU 397 CO -0.07 0.48 0.61 0.40 0.09 0.00 0.00 178.44 179.96 3ndn h ILE 398 N -0.53 0.70 -0.56 1.22 2.04 -1.34 -1.79 117.51 117.25 3ndn h ILE 398 Ca -0.00 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3ndn h ILE 398 Cb 0.51 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3ndn h ILE 398 CO 0.00 0.13 0.16 0.00 0.00 0.00 0.00 178.15 178.44 3ndn h ALA 399 N 1.63 0.74 -0.60 1.87 0.00 -1.27 -0.25 119.26 121.39 3ndn h ALA 399 Ca 0.56 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3ndn h ALA 399 Cb 0.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3ndn h ALA 399 CO -0.34 0.43 0.10 0.22 0.00 0.00 0.00 179.25 179.65 3ndn h ASP 400 N 0.80 0.96 -0.22 0.00 3.58 -1.04 -2.57 116.42 117.93 3ndn h ASP 400 Ca 0.18 -0.26 -0.11 0.00 0.42 0.00 0.00 57.03 57.25 3ndn h ASP 400 Cb 0.32 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 3ndn h ASP 400 CO -0.00 0.98 -0.31 0.40 -2.88 0.00 0.00 179.24 177.43 3ndn h ILE 401 N 0.91 1.32 -0.39 2.25 2.04 -1.26 -2.21 117.51 120.17 3ndn h ILE 401 Ca 0.18 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.56 3ndn h ILE 401 Cb 0.43 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3ndn h ILE 401 CO 0.01 0.47 0.19 -0.78 0.00 0.00 0.00 178.15 178.04 3ndn h ASP 402 N 0.28 0.27 -0.56 1.72 3.58 -1.04 -1.88 116.42 118.79 3ndn h ASP 402 Ca 0.02 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 3ndn h ASP 402 Cb 0.89 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 3ndn h ASP 402 CO 0.07 0.20 0.10 0.03 -2.88 0.00 0.00 179.24 176.76 3ndn h ARG 403 N 0.38 0.97 -0.40 0.28 -0.00 -1.49 -2.14 114.38 111.98 3ndn h ARG 403 Ca 0.17 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.98 59.33 3ndn h ARG 403 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 29.91 3ndn h ARG 403 CO -0.12 0.89 -0.06 0.00 0.00 0.00 0.00 179.97 180.68 3ndn h ALA 404 N 1.19 1.14 0.00 0.04 0.00 -1.06 -3.04 119.26 117.53 3ndn h ALA 404 Ca 0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3ndn h ALA 404 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ndn h ALA 404 CO 0.01 0.55 -0.63 -0.07 0.00 0.00 0.00 179.25 179.10 3ndn h LEU 405 N 0.63 0.00 -1.70 0.00 3.38 -1.21 -3.42 115.31 113.00 3ndn h LEU 405 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ndn h LEU 405 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ndn h LEU 405 CO 0.03 0.63 0.00 -1.20 0.09 0.00 0.00 178.44 177.99