#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3s n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.18 113.62 113.60 1n3s n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3s n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3s n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3s n LEU 3 N 0.00 0.00 -4.11 2.46 4.77 -1.26 -4.94 117.00 113.92 1n3s n LEU 3 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1n3s n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3s n LEU 3 CO 0.00 0.00 -0.35 -0.55 -1.33 0.00 0.00 177.39 175.16 1n3s s SER 4 N 1.00 0.53 0.03 -1.43 0.15 -1.26 -5.09 113.70 107.63 1n3s s SER 4 Ca 0.00 -1.04 -0.27 0.00 0.70 0.00 0.00 55.95 55.34 1n3s s SER 4 Cb 0.00 0.21 -0.17 0.00 -1.71 0.00 0.00 66.02 64.35 1n3s s SER 4 CO 0.00 -0.61 1.38 0.11 1.20 0.00 0.00 173.24 175.32 1n3s h LYS 5 N 3.07 -0.52 -0.18 5.44 1.57 -2.00 -2.52 116.57 121.43 1n3s h LYS 5 Ca -0.34 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1n3s h LYS 5 Cb 1.15 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1n3s h LYS 5 CO 0.65 -0.24 -0.12 0.93 -0.57 0.00 0.00 179.45 180.10 1n3s h GLU 6 N -0.76 0.29 -0.30 3.15 3.07 -1.97 -2.31 114.58 115.75 1n3s h GLU 6 Ca -0.06 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 1n3s h GLU 6 Cb 0.52 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 1n3s h GLU 6 CO 0.09 0.42 -0.27 0.00 -1.40 0.00 0.00 179.01 177.85 1n3s h ALA 7 N 1.61 0.98 -0.17 3.43 0.00 -1.90 -2.75 119.26 120.45 1n3s h ALA 7 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1n3s h ALA 7 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n3s h ALA 7 CO 0.02 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 179.66 1n3s h ALA 8 N 1.19 0.26 -0.47 0.00 0.00 -1.01 -1.91 119.26 117.32 1n3s h ALA 8 Ca 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1n3s h ALA 8 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1n3s h ALA 8 CO 0.06 0.20 0.31 -0.07 0.00 0.00 0.00 179.25 179.75 1n3s h LEU 9 N 0.09 0.53 -0.51 0.00 3.38 -1.35 -1.03 115.31 116.42 1n3s h LEU 9 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1n3s h LEU 9 Cb 0.77 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1n3s h LEU 9 CO 0.05 0.39 0.03 0.58 0.09 0.00 0.00 178.44 179.57 1n3s h VAL 10 N 0.63 1.26 -0.37 1.22 2.07 -1.55 -1.73 116.25 117.78 1n3s h VAL 10 Ca 0.17 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1n3s h VAL 10 Cb -0.07 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1n3s h VAL 10 CO -0.04 0.37 0.23 -0.74 0.02 0.00 0.00 177.57 177.41 1n3s h HIS 11 N 0.75 0.49 -0.28 1.57 -0.00 -0.83 -1.24 115.15 115.61 1n3s h HIS 11 Ca 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.41 1n3s h HIS 11 Cb 0.48 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1n3s h HIS 11 CO 0.04 0.34 -0.29 0.93 -0.00 0.00 0.00 177.93 178.94 1n3s h GLU 12 N 0.50 0.58 -0.49 5.26 5.08 -1.18 -1.64 114.58 122.69 1n3s h GLU 12 Ca 0.14 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1n3s h GLU 12 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1n3s h GLU 12 CO -0.03 0.81 -0.16 0.00 -1.00 0.00 0.00 179.01 178.63 1n3s h ALA 13 N 1.18 0.78 -0.07 3.43 0.00 -0.93 -1.00 119.26 122.64 1n3s h ALA 13 Ca 0.06 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 1n3s h ALA 13 Cb 0.76 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1n3s h ALA 13 CO 0.06 0.66 -0.80 -0.07 0.00 0.00 0.00 179.25 179.10 1n3s h LEU 14 N 0.84 0.83 -0.94 0.00 3.38 -1.09 -3.10 115.31 115.23 1n3s h LEU 14 Ca 0.12 -0.69 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 1n3s h LEU 14 Cb 0.72 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1n3s h LEU 14 CO 0.06 1.39 0.08 0.58 0.09 0.00 0.00 178.44 180.64 1n3s h VAL 15 N 0.33 1.24 0.00 1.22 2.07 -1.27 0.52 116.25 120.36 1n3s h VAL 15 Ca -0.08 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1n3s h VAL 15 Cb 1.45 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1n3s h VAL 15 CO 0.16 0.34 0.00 0.00 0.02 0.00 0.00 177.57 178.09 1n3s h ALA 16 N 1.27 1.00 -0.05 1.67 0.00 -1.17 -2.57 119.26 119.41 1n3s h ALA 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n3s h ALA 16 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n3s h ALA 16 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1n3s n ARG 17 N -2.65 0.60 -2.08 0.00 1.74 -0.68 -5.01 116.66 108.58 1n3s n ARG 17 Ca -0.00 -1.11 -0.08 0.00 -0.77 0.00 0.00 57.85 55.89 1n3s n ARG 17 Cb 0.16 -1.14 -0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1n3s n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n3s n GLY 18 N 0.32 0.12 0.45 -0.13 0.00 -0.46 -4.93 105.19 100.57 1n3s n GLY 18 Ca 0.05 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.59 1n3s n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3s n LEU 19 N -1.10 1.87 -4.08 0.99 4.77 0.05 -5.01 117.00 114.50 1n3s n LEU 19 Ca -0.09 -0.78 -0.10 0.00 -0.03 0.00 0.00 56.01 55.00 1n3s n LEU 19 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1n3s n LEU 19 CO 0.11 0.35 -0.12 -1.61 -1.33 0.00 0.00 177.39 174.79 1n3s s GLU 20 N -2.10 1.18 -0.02 3.23 0.41 -1.23 -4.92 118.70 115.26 1n3s s GLU 20 Ca 0.16 -1.38 -0.28 0.00 -0.41 0.00 0.00 54.97 53.06 1n3s s GLU 20 Cb 0.15 0.33 -0.03 0.00 -1.78 0.00 0.00 34.13 32.80 1n3s s GLU 20 CO 0.45 -0.41 0.89 0.99 -0.49 0.00 0.00 175.26 176.70 1n3s s THR 21 N -4.05 4.92 0.63 3.63 2.01 -1.26 -4.60 115.64 116.92 1n3s s THR 21 Ca 0.26 1.87 -0.18 0.00 0.31 0.00 0.00 61.69 63.95 1n3s s THR 21 Cb 0.05 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1n3s s THR 21 CO 0.05 0.19 1.22 -2.84 -0.69 0.00 0.00 174.62 172.56 1n3s s PRO 22 N 0.91 2.74 0.31 4.92 0.02 -1.26 -4.93 135.00 137.71 1n3s s PRO 22 Ca 0.47 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 63.04 1n3s s PRO 22 Cb -0.20 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 1n3s s PRO 22 CO 0.25 -1.39 1.26 -1.17 -0.33 0.00 0.00 177.00 175.62 1n3s s LEU 23 N -4.35 4.46 0.19 -5.54 2.96 -1.26 -5.05 118.68 110.09 1n3s s LEU 23 Ca 0.77 2.56 0.06 0.00 -0.22 0.00 0.00 54.13 57.30 1n3s s LEU 23 Cb -0.31 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.69 1n3s s LEU 23 CO 0.37 -0.44 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.24 1n3s s ARG 24 N -1.53 1.24 0.29 1.98 3.52 -1.26 -5.13 118.95 118.05 1n3s s ARG 24 Ca 0.49 -1.55 -0.29 0.00 -0.13 0.00 0.00 55.73 54.24 1n3s s ARG 24 Cb -0.37 -0.91 -0.13 0.00 -1.56 0.00 0.00 34.95 31.98 1n3s s ARG 24 CO 0.48 0.12 1.33 -2.30 -0.81 0.00 0.00 175.30 174.13 1n3s n PRO 25 N -0.32 2.05 0.00 5.12 -0.02 -1.26 -4.82 135.00 135.75 1n3s n PRO 25 Ca -0.09 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1n3s n PRO 25 Cb 0.61 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1n3s n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n3s n PRO 26 N 1.25 0.00 0.00 0.52 -0.02 -1.26 -4.86 135.00 130.63 1n3s n PRO 26 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1n3s n PRO 26 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 1n3s n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n3s n VAL 27 N -0.35 0.00 0.00 -1.45 0.31 -1.26 -4.56 118.33 111.02 1n3s n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1n3s n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1n3s n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n3s n HIS 28 N 0.00 0.00 -3.15 3.52 1.44 -1.26 -5.09 115.22 110.68 1n3s n HIS 28 Ca 0.00 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.26 1n3s n HIS 28 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1n3s n HIS 28 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1n3s s GLU 29 N -2.00 4.00 0.52 -1.40 2.02 -1.26 -5.02 118.70 115.56 1n3s s GLU 29 Ca 0.00 -2.71 -0.22 0.00 0.02 0.00 0.00 54.97 52.06 1n3s s GLU 29 Cb 0.00 -4.76 -0.07 0.00 0.10 0.00 0.00 34.13 29.41 1n3s s GLU 29 CO 0.00 -1.50 1.18 -0.12 0.02 0.00 0.00 175.26 174.85 1n3s n MET 30 N 4.38 1.46 -1.92 1.61 0.00 -1.26 -4.90 117.12 116.50 1n3s n MET 30 Ca 0.27 0.54 -0.42 0.00 -0.00 0.00 0.00 57.70 58.08 1n3s n MET 30 Cb 0.43 -2.35 -0.03 0.00 0.00 0.00 0.00 33.22 31.27 1n3s n MET 30 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1n3s s ASP 31 N -0.91 6.60 0.28 6.12 2.15 -1.26 -4.90 116.67 124.75 1n3s s ASP 31 Ca 0.70 2.46 0.01 0.00 0.43 0.00 0.00 52.55 56.14 1n3s s ASP 31 Cb -0.45 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.17 1n3s s ASP 31 CO 0.51 -0.91 1.81 -1.13 -0.17 0.00 0.00 175.17 175.28 1n3s h ASN 32 N 8.76 0.81 1.36 -0.34 -1.24 -2.01 -1.84 115.58 121.08 1n3s h ASN 32 Ca -0.43 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1n3s h ASN 32 Cb 1.20 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.16 1n3s h ASN 32 CO 0.94 0.40 0.00 -0.33 -1.29 0.00 0.00 177.43 177.15 1n3s h GLU 33 N 0.88 0.00 0.17 6.67 5.08 -2.00 -3.03 114.58 122.34 1n3s h GLU 33 Ca 0.49 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.56 1n3s h GLU 33 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1n3s h GLU 33 CO -0.30 0.00 -1.36 1.15 -1.00 0.00 0.00 179.01 177.51 1n3s h THR 34 N 0.00 1.39 -0.74 1.13 2.02 -1.73 -2.91 112.91 112.07 1n3s h THR 34 Ca 0.00 -2.92 -0.06 0.00 0.77 0.00 0.00 66.41 64.20 1n3s h THR 34 Cb 0.68 2.95 -0.03 0.00 -1.74 0.00 0.00 68.15 70.01 1n3s h THR 34 CO 0.00 0.86 0.24 0.03 0.37 0.00 0.00 175.52 177.02 1n3s h ARG 35 N 0.10 1.13 -0.32 6.66 3.08 -1.37 -1.75 114.38 121.90 1n3s h ARG 35 Ca -0.19 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 1n3s h ARG 35 Cb 2.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 1n3s h ARG 35 CO 0.22 0.95 0.05 0.87 -1.07 0.00 0.00 179.97 180.99 1n3s h LYS 36 N 1.09 0.54 -0.10 0.04 1.57 -1.60 -1.51 116.57 116.60 1n3s h LYS 36 Ca 0.24 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1n3s h LYS 36 Cb 0.28 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1n3s h LYS 36 CO -0.01 0.63 -0.37 0.66 -0.57 0.00 0.00 179.45 179.79 1n3s h SER 37 N 0.37 0.22 0.00 0.86 4.64 -1.32 0.10 113.55 118.43 1n3s h SER 37 Ca 0.10 -0.09 -0.25 0.00 -0.47 0.00 0.00 61.79 61.08 1n3s h SER 37 Cb 0.36 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1n3s h SER 37 CO 0.01 0.58 -0.99 -0.07 -0.87 0.00 0.00 176.83 175.49 1n3s h LEU 38 N 0.19 0.87 -0.48 5.97 3.38 -1.24 -1.25 115.31 122.74 1n3s h LEU 38 Ca 0.02 -0.74 -0.14 0.00 0.09 0.00 0.00 57.88 57.11 1n3s h LEU 38 Cb 0.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1n3s h LEU 38 CO 0.06 1.50 -0.26 0.40 0.09 0.00 0.00 178.44 180.23 1n3s h ILE 39 N 0.33 1.27 -0.75 1.22 2.04 -1.19 -1.08 117.51 119.36 1n3s h ILE 39 Ca -0.12 -1.42 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 1n3s h ILE 39 Cb 1.66 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1n3s h ILE 39 CO 0.20 0.49 0.33 0.00 0.00 0.00 0.00 178.15 179.16 1n3s h ALA 40 N 0.87 0.97 -0.51 1.87 0.00 -1.01 0.37 119.26 121.82 1n3s h ALA 40 Ca 0.10 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1n3s h ALA 40 Cb 0.84 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1n3s h ALA 40 CO 0.07 0.57 0.04 0.78 0.00 0.00 0.00 179.25 180.71 1n3s h GLY 41 N 1.07 0.91 1.87 0.00 0.00 -0.95 -0.63 103.07 105.34 1n3s h GLY 41 Ca 0.25 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 1n3s h GLY 41 CO -0.03 0.55 -0.75 0.45 0.00 0.00 0.00 176.54 176.76 1n3s h HIS 42 N 0.79 0.17 -0.01 5.60 -0.00 -0.63 -2.81 115.15 118.26 1n3s h HIS 42 Ca 0.16 -0.08 -0.15 0.00 -0.00 0.00 0.00 60.37 60.30 1n3s h HIS 42 Cb 0.43 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1n3s h HIS 42 CO 0.02 0.83 -0.68 0.52 -0.00 0.00 0.00 177.93 178.62 1n3s h MET 43 N 0.08 0.04 -0.55 2.45 2.86 -0.57 -2.25 114.93 116.98 1n3s h MET 43 Ca -0.02 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1n3s h MET 43 Cb 1.33 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 1n3s h MET 43 CO 0.11 0.70 0.02 1.15 1.06 0.00 0.00 176.91 179.95 1n3s h THR 44 N 0.03 1.25 -0.07 2.22 2.02 -1.01 -1.20 112.91 116.15 1n3s h THR 44 Ca -0.01 -1.05 -0.19 0.00 0.77 0.00 0.00 66.41 65.93 1n3s h THR 44 Cb 1.20 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1n3s h THR 44 CO 0.09 0.38 -0.76 -0.33 0.37 0.00 0.00 175.52 175.27 1n3s h GLU 45 N 0.86 0.43 -0.50 6.66 4.39 -1.34 -2.64 114.58 122.45 1n3s h GLU 45 Ca 0.16 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.45 1n3s h GLU 45 Cb 0.48 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1n3s h GLU 45 CO 0.02 1.01 0.12 0.82 -1.16 0.00 0.00 179.01 179.82 1n3s h ILE 46 N 0.29 1.24 0.00 3.13 2.04 -1.06 -2.31 117.51 120.84 1n3s h ILE 46 Ca -0.04 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 64.89 1n3s h ILE 46 Cb 1.35 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1n3s h ILE 46 CO 0.13 0.31 -0.40 0.24 0.00 0.00 0.00 178.15 178.43 1n3s h MET 47 N 0.69 0.00 -0.03 2.37 2.86 -1.23 -2.84 114.93 116.75 1n3s h MET 47 Ca 0.16 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 1n3s h MET 47 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1n3s h MET 47 CO 0.00 0.40 -0.73 1.96 1.06 0.00 0.00 176.91 179.60 1n3s h GLN 48 N 0.00 0.18 -0.06 1.72 4.20 -1.16 -2.46 115.11 117.53 1n3s h GLN 48 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1n3s h GLN 48 Cb 0.82 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1n3s h GLN 48 CO 0.05 0.83 0.00 1.28 -0.67 0.00 0.00 178.83 180.32 1n3s n LEU 49 N -3.76 0.57 -0.34 1.46 4.77 -0.90 -2.69 117.00 116.11 1n3s n LEU 49 Ca -0.03 -0.24 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 1n3s n LEU 49 Cb 0.70 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.83 1n3s n LEU 49 CO 0.45 0.12 0.53 0.18 -1.33 0.00 0.00 177.39 177.35 1n3s n LEU 50 N -0.40 2.35 -3.36 2.23 4.77 -1.06 -5.01 117.00 116.52 1n3s n LEU 50 Ca 0.14 -1.83 -0.23 0.00 -0.03 0.00 0.00 56.01 54.07 1n3s n LEU 50 Cb 0.15 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1n3s n LEU 50 CO 0.11 0.58 0.18 0.59 -1.33 0.00 0.00 177.39 177.52 1n3s n ASN 51 N 0.12 -6.22 -4.76 -1.43 3.02 -1.09 -5.02 115.26 99.87 1n3s n ASN 51 Ca 0.06 -0.46 -0.36 0.00 -0.03 0.00 0.00 54.58 53.79 1n3s n ASN 51 Cb 0.32 -4.89 -0.08 0.00 -0.61 0.00 0.00 39.78 34.52 1n3s n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3s s LEU 52 N -6.98 4.20 -0.47 3.41 1.43 -0.95 -5.06 118.68 114.26 1n3s s LEU 52 Ca 0.50 0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 53.61 1n3s s LEU 52 Cb -0.22 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1n3s s LEU 52 CO 0.62 0.26 1.59 -0.62 0.23 0.00 0.00 176.35 178.43 1n3s s ASP 53 N -0.11 5.98 0.00 2.29 -1.08 -1.26 -4.63 116.67 117.86 1n3s s ASP 53 Ca 0.10 0.71 0.29 0.00 -0.52 0.00 0.00 52.55 53.13 1n3s s ASP 53 Cb -0.11 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.11 1n3s s ASP 53 CO 0.00 -1.75 1.89 0.18 0.52 0.00 0.00 175.17 176.02 1n3s n LEU 54 N 10.09 0.77 0.06 -1.34 4.77 -1.26 -3.34 117.00 126.76 1n3s n LEU 54 Ca 0.18 -0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1n3s n LEU 54 Cb 0.49 -0.06 0.38 0.00 -2.33 0.00 0.00 43.42 41.89 1n3s n LEU 54 CO 0.70 0.13 0.73 0.00 -1.33 0.00 0.00 177.39 177.63 1n3s n ALA 55 N -0.53 2.56 -2.37 -1.18 0.00 -1.26 -4.15 120.51 113.58 1n3s n ALA 55 Ca 0.18 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1n3s n ALA 55 Cb 0.27 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1n3s n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n3s s ASP 56 N -4.02 7.00 0.00 0.00 2.15 -1.21 -4.91 116.67 115.67 1n3s s ASP 56 Ca 0.10 1.99 0.00 0.00 0.43 0.00 0.00 52.55 55.07 1n3s s ASP 56 Cb 0.14 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1n3s s ASP 56 CO 0.62 -0.59 0.54 -0.90 -0.17 0.00 0.00 175.17 174.67 1n3s n ASP 57 N 4.76 0.00 -0.07 -0.34 5.75 -1.26 -1.90 116.55 123.49 1n3s n ASP 57 Ca 0.11 0.06 -0.12 0.00 -0.01 0.00 0.00 54.79 54.82 1n3s n ASP 57 Cb 0.45 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.42 1n3s n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n3s n SER 58 N -1.04 2.20 0.03 -1.12 2.88 -1.26 -4.58 113.62 110.73 1n3s n SER 58 Ca 0.00 0.02 0.13 0.00 -1.33 0.00 0.00 58.87 57.69 1n3s n SER 58 Cb 0.00 -0.31 0.54 0.00 -0.75 0.00 0.00 64.21 63.70 1n3s n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3s n LEU 59 N -3.21 0.20 -0.11 2.46 4.77 -1.04 -3.62 117.00 116.45 1n3s n LEU 59 Ca -0.27 0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 1n3s n LEU 59 Cb 0.75 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1n3s n LEU 59 CO 0.09 -0.08 0.71 -0.03 -1.33 0.00 0.00 177.39 176.75 1n3s h MET 60 N 0.00 0.83 -0.00 3.23 4.05 -1.54 -3.14 114.93 118.36 1n3s h MET 60 Ca 0.00 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1n3s h MET 60 Cb 0.53 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1n3s h MET 60 CO 0.00 0.96 -0.44 0.39 0.23 0.00 0.00 176.91 178.06 1n3s n GLU 61 N -4.12 0.19 -0.27 0.39 -0.58 -1.24 -4.39 120.64 110.61 1n3s n GLU 61 Ca 0.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 57.16 56.60 1n3s n GLU 61 Cb 0.43 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.88 1n3s n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3s h THR 62 N 0.26 1.14 -0.18 2.62 2.02 -1.68 -2.43 112.91 114.65 1n3s h THR 62 Ca 0.00 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1n3s h THR 62 Cb 0.50 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1n3s h THR 62 CO 0.00 0.18 -0.25 -0.65 0.37 0.00 0.00 175.52 175.16 1n3s h PRO 63 N 0.96 0.33 -0.25 6.66 0.11 -1.78 -1.64 132.00 136.39 1n3s h PRO 63 Ca 0.30 -0.11 -0.13 0.00 0.11 0.00 0.00 66.00 66.16 1n3s h PRO 63 Cb -0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1n3s h PRO 63 CO -0.10 0.56 -0.38 1.25 -0.21 0.00 0.00 178.00 179.13 1n3s h HIS 64 N 0.29 0.68 -0.20 0.65 -0.00 -1.80 -2.59 115.15 112.19 1n3s h HIS 64 Ca 0.05 -0.19 -0.19 0.00 -0.00 0.00 0.00 60.37 60.03 1n3s h HIS 64 Cb 0.61 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.87 1n3s h HIS 64 CO 0.01 0.88 -0.63 0.00 -0.00 0.00 0.00 177.93 178.19 1n3s h ARG 65 N 0.48 0.72 0.00 5.26 3.08 -1.07 -1.04 114.38 121.81 1n3s h ARG 65 Ca 0.05 -0.50 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 1n3s h ARG 65 Cb 0.88 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1n3s h ARG 65 CO 0.08 1.12 -0.40 0.82 -1.07 0.00 0.00 179.97 180.52 1n3s h ILE 66 N 0.53 1.09 -0.04 2.04 2.04 -1.30 -1.64 117.51 120.22 1n3s h ILE 66 Ca -0.01 -1.46 -0.10 0.00 1.00 0.00 0.00 64.86 64.28 1n3s h ILE 66 Cb 1.23 1.83 0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1n3s h ILE 66 CO 0.13 0.39 -0.37 0.00 0.00 0.00 0.00 178.15 178.30 1n3s h ALA 67 N 1.60 0.10 -0.08 1.87 0.00 -1.29 -2.44 119.26 119.03 1n3s h ALA 67 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1n3s h ALA 67 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1n3s h ALA 67 CO 0.05 0.20 -0.14 -0.22 0.00 0.00 0.00 179.25 179.15 1n3s h LYS 68 N -0.20 0.12 0.17 0.00 3.11 -1.04 -1.86 116.57 116.86 1n3s h LYS 68 Ca -0.03 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1n3s h LYS 68 Cb 1.05 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1n3s h LYS 68 CO 0.07 0.26 -0.08 1.98 -2.81 0.00 0.00 179.45 178.87 1n3s h MET 69 N 0.11 -0.23 -0.44 1.90 4.05 -1.29 -1.76 114.93 117.28 1n3s h MET 69 Ca 0.02 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 1n3s h MET 69 Cb 0.32 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 1n3s h MET 69 CO 0.02 0.17 0.05 1.88 0.23 0.00 0.00 176.91 179.26 1n3s h TYR 70 N -0.73 0.71 0.06 1.39 0.05 -1.24 -1.22 116.97 116.00 1n3s h TYR 70 Ca -0.02 -0.07 -0.23 0.00 0.05 0.00 0.00 58.73 58.45 1n3s h TYR 70 Cb 0.51 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 1n3s h TYR 70 CO 0.06 0.65 -1.22 0.28 -1.05 0.00 0.00 178.16 176.88 1n3s h VAL 71 N 0.66 1.05 0.00 -2.88 2.07 -1.43 -3.38 116.25 112.34 1n3s h VAL 71 Ca 0.14 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1n3s h VAL 71 Cb 0.34 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1n3s h VAL 71 CO 0.01 0.56 -0.46 0.47 0.02 0.00 0.00 177.57 178.16 1n3s n ASP 72 N -4.17 0.58 0.00 0.57 8.00 -0.67 -4.77 116.55 116.09 1n3s n ASP 72 Ca -0.26 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1n3s n ASP 72 Cb 0.78 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 1n3s n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3s n GLU 73 N -1.24 0.00 0.27 -1.24 1.02 -0.78 -4.75 120.64 113.92 1n3s n GLU 73 Ca 0.01 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.33 1n3s n GLU 73 Cb 0.14 0.00 0.74 0.00 -0.02 0.00 0.00 31.44 32.29 1n3s n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3s h ILE 74 N 0.00 0.00 -0.26 -3.67 3.07 -1.56 -3.19 117.51 111.91 1n3s h ILE 74 Ca 0.00 -0.42 -0.12 0.00 1.55 0.00 0.00 64.86 65.87 1n3s h ILE 74 Cb 0.00 1.40 -0.07 0.00 -0.27 0.00 0.00 36.82 37.88 1n3s h ILE 74 CO 0.00 0.00 -0.13 0.49 -1.05 0.00 0.00 178.15 177.46 1n3s n PHE 75 N -3.02 0.82 0.31 0.16 3.72 -1.26 -3.22 117.46 114.97 1n3s n PHE 75 Ca 0.00 -1.45 0.16 0.00 -0.05 0.00 0.00 57.45 56.11 1n3s n PHE 75 Cb 0.27 -0.41 0.73 0.00 -0.94 0.00 0.00 39.48 39.13 1n3s n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3s h SER 76 N 1.03 0.00 0.21 4.37 4.64 -1.52 -2.90 113.55 119.38 1n3s h SER 76 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1n3s h SER 76 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1n3s h SER 76 CO 0.28 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1n3s n GLY 77 N -0.37 -1.00 0.16 -0.77 0.00 0.23 -3.04 105.19 100.40 1n3s n GLY 77 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1n3s n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 78 N 0.00 0.00 -8.42 0.99 3.38 -1.66 -3.43 115.31 106.18 1n3s h LEU 78 Ca 0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 1n3s h LEU 78 Cb 0.10 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.59 1n3s h LEU 78 CO 0.00 0.01 -0.69 -0.62 0.09 0.00 0.00 178.44 177.23 1n3s s ASP 79 N -5.39 4.60 0.00 -0.43 2.15 -1.17 -4.98 116.67 111.44 1n3s s ASP 79 Ca 0.08 -0.46 0.06 0.00 0.43 0.00 0.00 52.55 52.66 1n3s s ASP 79 Cb 0.09 -1.79 0.33 0.00 -0.30 0.00 0.00 42.92 41.25 1n3s s ASP 79 CO 0.65 -0.06 0.92 -1.22 -0.17 0.00 0.00 175.17 175.29 1n3s n TYR 80 N 4.82 0.00 0.13 -5.34 4.02 -1.26 -1.86 117.16 117.67 1n3s n TYR 80 Ca -0.17 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.75 1n3s n TYR 80 Cb 0.50 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.85 1n3s n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3s h ALA 81 N 2.59 0.70 -0.03 -0.72 0.00 -1.92 -3.08 119.26 116.81 1n3s h ALA 81 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n3s h ALA 81 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n3s h ALA 81 CO 0.00 0.58 0.00 0.09 0.00 0.00 0.00 179.25 179.92 1n3s n ASN 82 N -3.16 1.22 -4.75 0.00 3.02 -0.78 -4.91 115.26 105.89 1n3s n ASN 82 Ca 0.01 -1.43 -0.41 0.00 -0.03 0.00 0.00 54.58 52.71 1n3s n ASN 82 Cb 0.72 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1n3s n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1n3s s PHE 83 N -1.98 2.88 0.47 3.10 5.36 -1.17 -4.95 117.98 121.70 1n3s s PHE 83 Ca 0.39 0.89 -0.24 0.00 -0.96 0.00 0.00 56.93 57.01 1n3s s PHE 83 Cb 0.21 -3.95 -0.07 0.00 -0.34 0.00 0.00 43.02 38.86 1n3s s PHE 83 CO 0.33 -3.17 1.34 -1.25 -1.46 0.00 0.00 175.22 171.01 1n3s s PRO 84 N -0.40 3.57 -0.76 10.12 0.04 -1.26 -4.93 135.00 141.38 1n3s s PRO 84 Ca 0.62 2.20 -0.26 0.00 0.04 0.00 0.00 61.00 63.60 1n3s s PRO 84 Cb -0.45 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1n3s s PRO 84 CO 0.45 -0.83 1.63 0.15 0.04 0.00 0.00 177.00 178.44 1n3s s LYS 85 N -2.59 2.93 0.12 4.56 1.02 -1.26 -4.90 119.74 119.61 1n3s s LYS 85 Ca 0.64 -0.05 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 1n3s s LYS 85 Cb -0.39 -4.56 -0.07 0.00 -0.52 0.00 0.00 37.83 32.29 1n3s s LYS 85 CO 0.48 -2.58 1.23 0.42 -0.92 0.00 0.00 175.35 173.99 1n3s s ILE 86 N 7.62 3.73 -0.16 2.17 -1.09 -1.26 -5.03 121.20 127.18 1n3s s ILE 86 Ca 0.54 1.31 0.01 0.00 -2.23 0.00 0.00 60.65 60.29 1n3s s ILE 86 Cb -0.08 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 1n3s s ILE 86 CO 0.11 0.14 -0.17 0.42 -1.23 0.00 0.00 174.94 174.22 1n3s s THR 87 N 0.64 1.77 -0.15 2.92 -4.23 -1.26 -5.07 115.64 110.27 1n3s s THR 87 Ca 0.57 -0.76 -0.01 0.00 -1.18 0.00 0.00 61.69 60.31 1n3s s THR 87 Cb -0.32 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 1n3s s THR 87 CO 0.32 0.49 -0.11 -0.76 -0.54 0.00 0.00 174.62 174.03 1n3s s LEU 88 N 1.35 2.81 -0.17 4.79 1.43 -1.26 -2.29 118.68 125.34 1n3s s LEU 88 Ca 0.04 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 1n3s s LEU 88 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1n3s s LEU 88 CO -0.11 0.14 0.09 0.27 0.23 0.00 0.00 176.35 176.97 1n3s s ILE 89 N 0.52 5.07 0.06 -0.59 -4.36 -0.63 -4.93 121.20 116.33 1n3s s ILE 89 Ca -0.07 0.06 -0.35 0.00 -0.26 0.00 0.00 60.65 60.02 1n3s s ILE 89 Cb -0.15 -3.27 -0.15 0.00 1.25 0.00 0.00 42.46 40.14 1n3s s ILE 89 CO 0.04 0.50 1.56 1.21 0.24 0.00 0.00 174.94 178.49 1n3s n GLU 90 N 3.11 1.74 -1.93 0.37 2.13 -1.26 -1.54 120.64 123.25 1n3s n GLU 90 Ca -0.17 0.63 -0.40 0.00 0.66 0.00 0.00 57.16 57.88 1n3s n GLU 90 Cb 0.53 -2.36 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 1n3s n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3s n ASN 91 N 3.79 3.74 0.09 4.31 5.15 -0.93 -4.57 115.26 126.84 1n3s n ASN 91 Ca 0.19 -2.80 -0.03 0.00 -0.60 0.00 0.00 54.58 51.34 1n3s n ASN 91 Cb 0.24 -1.59 -0.05 0.00 -0.53 0.00 0.00 39.78 37.86 1n3s n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3s h LYS 92 N 7.65 0.00 -0.00 1.20 1.57 -1.89 -3.27 116.57 121.82 1n3s h LYS 92 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1n3s h LYS 92 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1n3s h LYS 92 CO 1.64 0.79 -0.01 -1.33 -0.57 0.00 0.00 179.45 179.96 1n3s n MET 93 N -3.31 0.33 -1.90 3.15 2.81 -1.26 -4.93 117.12 112.01 1n3s n MET 93 Ca 0.01 -0.01 -0.15 0.00 -1.81 0.00 0.00 57.70 55.73 1n3s n MET 93 Cb 0.85 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.82 1n3s n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3s n LYS 94 N -1.33 -1.66 -1.46 0.03 4.01 -1.24 -4.86 118.16 111.66 1n3s n LYS 94 Ca 0.12 0.82 -0.48 0.00 -0.51 0.00 0.00 58.31 58.27 1n3s n LYS 94 Cb 0.27 -5.26 -0.07 0.00 -0.51 0.00 0.00 35.03 29.45 1n3s n LYS 94 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1n3s n VAL 95 N -2.74 0.13 -1.00 -0.18 0.31 -1.26 -4.83 118.33 108.76 1n3s n VAL 95 Ca -0.17 -0.30 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 1n3s n VAL 95 Cb 0.56 -1.67 0.33 0.00 -0.91 0.00 0.00 33.84 32.16 1n3s n VAL 95 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n3s n ASP 96 N 10.65 5.10 -4.52 4.52 5.75 -1.26 -4.54 116.55 132.25 1n3s n ASP 96 Ca 0.43 -3.15 -0.25 0.00 -0.01 0.00 0.00 54.79 51.82 1n3s n ASP 96 Cb 0.25 -0.74 -0.11 0.00 -1.03 0.00 0.00 41.12 39.49 1n3s n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3s s GLU 97 N -2.93 1.77 0.11 0.11 0.41 -1.26 -5.00 118.70 111.91 1n3s s GLU 97 Ca 0.55 -1.95 -0.11 0.00 -0.41 0.00 0.00 54.97 53.05 1n3s s GLU 97 Cb 0.44 -1.41 -0.06 0.00 -1.78 0.00 0.00 34.13 31.32 1n3s s GLU 97 CO 0.14 -0.00 0.45 0.00 -0.49 0.00 0.00 175.26 175.36 1n3s s MET 98 N -3.72 3.81 -0.11 1.61 0.23 -1.26 -4.05 119.30 115.80 1n3s s MET 98 Ca 0.33 0.24 0.02 0.00 -1.03 0.00 0.00 55.69 55.26 1n3s s MET 98 Cb 0.06 -2.95 -0.01 0.00 -1.53 0.00 0.00 34.83 30.41 1n3s s MET 98 CO 0.16 0.52 -0.18 0.08 -2.03 0.00 0.00 175.02 173.56 1n3s s VAL 99 N -1.46 2.58 -0.08 5.16 1.01 -0.66 -5.01 120.40 121.95 1n3s s VAL 99 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1n3s s VAL 99 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1n3s s VAL 99 CO 0.19 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.88 1n3s s THR 100 N 0.30 0.77 -0.37 3.92 2.01 -1.26 -1.24 115.64 119.76 1n3s s THR 100 Ca -0.14 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 1n3s s THR 100 Cb -0.17 -0.80 0.07 0.00 0.01 0.00 0.00 72.50 71.62 1n3s s THR 100 CO 0.07 0.30 0.14 -0.69 -0.69 0.00 0.00 174.62 173.75 1n3s s VAL 101 N 1.36 3.49 0.42 3.82 1.01 0.89 -4.98 120.40 126.40 1n3s s VAL 101 Ca -0.03 -1.57 0.08 0.00 0.00 0.00 0.00 61.98 60.46 1n3s s VAL 101 Cb -0.14 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1n3s s VAL 101 CO -0.03 -0.40 0.56 0.00 0.00 0.00 0.00 175.10 175.23 1n3s s ARG 102 N 1.28 2.81 -1.62 2.72 3.03 -1.26 -1.01 118.95 124.88 1n3s s ARG 102 Ca 0.02 -1.26 -0.15 0.00 2.03 0.00 0.00 55.73 56.37 1n3s s ARG 102 Cb -0.21 -2.74 0.12 0.00 -1.03 0.00 0.00 34.95 31.09 1n3s s ARG 102 CO -0.01 -0.27 0.77 -0.25 -1.13 0.00 0.00 175.30 174.41 1n3s n ASP 103 N -1.84 -3.12 -4.71 -2.89 8.00 -1.06 -4.92 116.55 106.01 1n3s n ASP 103 Ca 0.08 -0.96 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 1n3s n ASP 103 Cb 0.59 -3.04 -0.03 0.00 -0.02 0.00 0.00 41.12 38.62 1n3s n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3s s ILE 104 N -3.40 4.04 0.03 0.53 1.01 0.23 -4.78 121.20 118.86 1n3s s ILE 104 Ca 0.60 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 1n3s s ILE 104 Cb -0.32 -3.93 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1n3s s ILE 104 CO 0.90 0.10 1.85 -0.89 0.00 0.00 0.00 174.94 176.90 1n3s s THR 105 N 1.20 3.09 -0.14 2.92 2.01 -1.26 -1.14 115.64 122.32 1n3s s THR 105 Ca 0.59 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.81 1n3s s THR 105 Cb -0.29 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.11 1n3s s THR 105 CO 0.28 -0.02 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.89 1n3s s LEU 106 N 4.00 1.45 -0.20 4.42 0.20 -0.86 -4.72 118.68 122.98 1n3s s LEU 106 Ca 0.83 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 55.20 1n3s s LEU 106 Cb -0.41 -0.95 0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1n3s s LEU 106 CO 0.37 -0.13 -0.15 0.42 -0.29 0.00 0.00 176.35 176.58 1n3s s THR 107 N 1.63 1.93 0.22 3.68 -4.23 -1.26 -1.20 115.64 116.40 1n3s s THR 107 Ca 0.04 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 1n3s s THR 107 Cb -0.13 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1n3s s THR 107 CO -0.09 0.30 0.11 -0.24 -0.54 0.00 0.00 174.62 174.16 1n3s n SER 108 N 4.61 0.63 -3.79 3.99 2.88 -0.65 -4.03 113.62 117.26 1n3s n SER 108 Ca -0.17 -2.23 -0.15 0.00 -1.33 0.00 0.00 58.87 54.99 1n3s n SER 108 Cb 0.47 0.70 -0.16 0.00 -0.75 0.00 0.00 64.21 64.47 1n3s n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3s s THR 109 N -2.52 -0.02 0.16 2.46 2.01 -1.25 -1.21 115.64 115.27 1n3s s THR 109 Ca 0.15 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1n3s s THR 109 Cb 0.01 -0.09 -0.08 0.00 0.01 0.00 0.00 72.50 72.35 1n3s s THR 109 CO 0.11 0.08 1.21 0.00 -0.69 0.00 0.00 174.62 175.32 1n3s h GLU 111 N 5.56 0.00 -0.21 0.00 4.11 -1.34 -0.78 114.58 121.92 1n3s h GLU 111 Ca -0.44 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.80 1n3s h GLU 111 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1n3s h GLU 111 CO 0.76 0.00 -0.64 0.45 0.07 0.00 0.00 179.01 179.65 1n3s h HIS 112 N 0.00 0.96 0.00 2.06 3.86 -1.91 -3.40 115.15 116.72 1n3s h HIS 112 Ca 0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1n3s h HIS 112 Cb 0.52 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1n3s h HIS 112 CO 0.00 1.18 0.00 0.43 0.86 0.00 0.00 177.93 180.40 1n3s n SER 113 N -3.96 0.33 -2.98 2.45 7.64 -1.22 -5.02 113.62 110.86 1n3s n SER 113 Ca -0.05 -1.10 -0.22 0.00 1.01 0.00 0.00 58.87 58.51 1n3s n SER 113 Cb 0.67 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.89 1n3s n SER 113 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n3s n PHE 114 N -0.05 -1.81 -4.28 1.43 3.01 -0.30 -5.00 117.46 110.46 1n3s n PHE 114 Ca 0.00 0.43 -0.32 0.00 1.01 0.00 0.00 57.45 58.58 1n3s n PHE 114 Cb 0.31 -4.12 -0.09 0.00 -0.01 0.00 0.00 39.48 35.56 1n3s n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3s s VAL 115 N -3.10 3.94 0.27 -4.37 1.01 -1.25 -4.83 120.40 112.07 1n3s s VAL 115 Ca 0.27 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1n3s s VAL 115 Cb -0.13 -2.79 -0.14 0.00 0.00 0.00 0.00 36.38 33.33 1n3s s VAL 115 CO 0.34 0.29 1.11 0.41 0.00 0.00 0.00 175.10 177.24 1n3s n THR 116 N 1.15 1.69 -3.96 3.92 -1.04 -1.26 -0.92 114.28 113.86 1n3s n THR 116 Ca -0.14 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.05 61.16 1n3s n THR 116 Cb 0.52 -1.08 -0.16 0.00 -1.82 0.00 0.00 70.33 67.79 1n3s n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3s s ILE 117 N -0.80 1.47 -0.28 12.58 1.01 -0.35 -1.61 121.20 133.22 1n3s s ILE 117 Ca 0.62 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1n3s s ILE 117 Cb -0.71 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 1n3s s ILE 117 CO 0.58 0.16 0.18 -0.62 0.00 0.00 0.00 174.94 175.24 1n3s s ASP 118 N 1.48 5.96 0.24 3.58 2.15 -0.35 -1.63 116.67 128.10 1n3s s ASP 118 Ca -0.00 -0.02 -0.03 0.00 0.43 0.00 0.00 52.55 52.93 1n3s s ASP 118 Cb -0.16 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.33 1n3s s ASP 118 CO -0.08 -0.05 0.26 -0.83 -0.17 0.00 0.00 175.17 174.31 1n3s s GLY 119 N 1.74 1.37 -0.04 2.66 0.00 -0.34 -0.49 107.32 112.21 1n3s s GLY 119 Ca 0.07 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1n3s s GLY 119 CO 0.10 -1.20 -0.06 0.54 0.00 0.00 0.00 173.10 172.48 1n3s s LYS 120 N -3.91 0.98 0.04 2.90 -0.14 0.50 -2.02 119.74 118.10 1n3s s LYS 120 Ca 0.35 -0.18 0.06 0.00 -1.36 0.00 0.00 55.97 54.83 1n3s s LYS 120 Cb 0.04 -0.92 -0.03 0.00 -1.68 0.00 0.00 37.83 35.23 1n3s s LYS 120 CO 0.14 -0.04 -0.12 0.00 -0.76 0.00 0.00 175.35 174.58 1n3s s ALA 121 N 0.76 2.83 -0.10 5.17 0.00 -0.29 -0.41 121.76 129.72 1n3s s ALA 121 Ca -0.11 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1n3s s ALA 121 Cb -0.14 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1n3s s ALA 121 CO 0.01 0.60 -0.16 0.99 0.00 0.00 0.00 175.76 177.20 1n3s s THR 122 N -1.02 1.50 -0.07 0.00 2.01 0.50 -0.60 115.64 117.96 1n3s s THR 122 Ca 0.17 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1n3s s THR 122 Cb -0.11 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1n3s s THR 122 CO 0.08 0.44 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 1n3s s VAL 123 N 0.80 1.04 0.03 3.82 1.01 -0.18 -1.02 120.40 125.89 1n3s s VAL 123 Ca -0.11 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1n3s s VAL 123 Cb -0.16 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1n3s s VAL 123 CO 0.01 0.34 -0.13 0.00 0.00 0.00 0.00 175.10 175.33 1n3s s ALA 124 N 0.86 1.06 0.17 5.51 0.00 -0.11 -0.08 121.76 129.18 1n3s s ALA 124 Ca -0.11 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1n3s s ALA 124 Cb -0.15 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1n3s s ALA 124 CO 0.01 0.21 0.49 1.52 0.00 0.00 0.00 175.76 177.99 1n3s s TYR 125 N -0.71 -0.16 -0.25 0.00 1.13 -0.38 0.36 117.35 117.35 1n3s s TYR 125 Ca 0.02 -0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.52 1n3s s TYR 125 Cb -0.07 0.36 0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1n3s s TYR 125 CO 0.01 -0.85 -0.10 0.42 -2.51 0.00 0.00 175.55 172.52 1n3s s ILE 126 N -3.85 2.43 0.33 -3.49 1.01 -0.83 -1.66 121.20 115.15 1n3s s ILE 126 Ca 0.07 -1.31 -0.29 0.00 0.00 0.00 0.00 60.65 59.12 1n3s s ILE 126 Cb -0.00 -2.30 -0.11 0.00 0.01 0.00 0.00 42.46 40.06 1n3s s ILE 126 CO -0.06 0.13 1.52 -2.84 0.00 0.00 0.00 174.94 173.69 1n3s s PRO 127 N 1.21 4.14 0.00 2.79 0.02 -1.26 -4.83 135.00 137.07 1n3s s PRO 127 Ca -0.03 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1n3s s PRO 127 Cb -0.18 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1n3s s PRO 127 CO -0.06 -0.55 0.00 1.17 -0.33 0.00 0.00 177.00 177.24 1n3s n LYS 128 N 1.30 0.00 0.00 5.54 4.81 -1.26 -4.67 118.16 123.88 1n3s n LYS 128 Ca 0.04 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.57 1n3s n LYS 128 Cb 0.39 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.41 1n3s n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3s n ASP 129 N -0.25 1.60 -3.83 3.14 8.00 -1.26 -4.86 116.55 119.09 1n3s n ASP 129 Ca 0.00 -1.30 -0.12 0.00 0.71 0.00 0.00 54.79 54.08 1n3s n ASP 129 Cb 0.00 0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 41.58 1n3s n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3s s SER 130 N -2.29 -0.10 -0.25 -2.24 1.04 -1.26 -2.18 113.70 106.42 1n3s s SER 130 Ca 0.14 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.67 1n3s s SER 130 Cb 0.15 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1n3s s SER 130 CO 0.54 -0.21 -0.05 -0.69 0.98 0.00 0.00 173.24 173.81 1n3s s VAL 131 N -0.57 2.90 0.36 5.02 1.01 -0.59 -4.71 120.40 123.82 1n3s s VAL 131 Ca -0.07 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 1n3s s VAL 131 Cb -0.04 -2.49 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 1n3s s VAL 131 CO 0.01 0.18 0.97 -0.51 0.00 0.00 0.00 175.10 175.74 1n3s s ILE 132 N 1.32 4.15 0.17 2.22 2.07 -1.26 -1.61 121.20 128.26 1n3s s ILE 132 Ca -0.00 1.67 -0.32 0.00 -1.41 0.00 0.00 60.65 60.59 1n3s s ILE 132 Cb -0.17 -3.87 -0.11 0.00 0.13 0.00 0.00 42.46 38.44 1n3s s ILE 132 CO -0.04 0.03 1.79 0.61 -1.91 0.00 0.00 174.94 175.42 1n3s n GLY 133 N 0.29 1.63 0.28 1.50 0.00 -0.97 -4.92 105.19 103.01 1n3s n GLY 133 Ca 0.03 0.67 0.06 0.00 0.00 0.00 0.00 46.02 46.78 1n3s n GLY 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 134 N 7.70 -0.23 -1.48 0.99 3.38 -1.94 -1.17 115.31 122.56 1n3s h LEU 134 Ca -0.45 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1n3s h LEU 134 Cb 1.21 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1n3s h LEU 134 CO 0.96 -0.15 -0.17 0.77 0.09 0.00 0.00 178.44 179.94 1n3s h SER 135 N 0.15 0.00 0.38 -0.43 4.64 -2.01 -2.73 113.55 113.55 1n3s h SER 135 Ca 0.43 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.70 1n3s h SER 135 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 1n3s h SER 135 CO -0.63 0.17 -0.23 0.11 -0.87 0.00 0.00 176.83 175.38 1n3s h LYS 136 N 0.00 0.00 -0.27 4.77 1.79 -1.58 -0.39 116.57 120.88 1n3s h LYS 136 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1n3s h LYS 136 Cb 0.57 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1n3s h LYS 136 CO 0.02 0.23 -0.16 0.82 -1.08 0.00 0.00 179.45 179.28 1n3s h ILE 137 N 0.00 1.30 -0.51 1.86 2.04 -1.52 0.50 117.51 121.19 1n3s h ILE 137 Ca -0.00 -1.27 -0.08 0.00 1.00 0.00 0.00 64.86 64.51 1n3s h ILE 137 Cb 0.47 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1n3s h ILE 137 CO 0.03 0.40 0.00 0.78 0.00 0.00 0.00 178.15 179.37 1n3s h ASN 138 N 0.32 0.82 0.05 1.72 2.35 -1.42 -2.18 115.58 117.24 1n3s h ASN 138 Ca 0.06 -0.20 -0.17 0.00 -0.55 0.00 0.00 56.30 55.43 1n3s h ASN 138 Cb 0.69 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 1n3s h ASN 138 CO 0.05 0.88 -0.60 0.03 -1.65 0.00 0.00 177.43 176.14 1n3s h ARG 139 N 0.79 0.55 -0.31 0.81 3.08 -0.91 -1.93 114.38 116.46 1n3s h ARG 139 Ca 0.15 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 1n3s h ARG 139 Cb 0.47 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1n3s h ARG 139 CO 0.02 0.99 -0.34 0.82 -1.07 0.00 0.00 179.97 180.39 1n3s h ILE 140 N 0.41 1.28 -0.14 2.04 2.04 -0.73 -0.07 117.51 122.34 1n3s h ILE 140 Ca -0.00 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 1n3s h ILE 140 Cb 1.15 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1n3s h ILE 140 CO 0.11 0.48 -0.04 0.58 0.00 0.00 0.00 178.15 179.29 1n3s h VAL 141 N 0.57 1.29 0.00 1.67 2.07 -1.38 -2.92 116.25 117.56 1n3s h VAL 141 Ca 0.06 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1n3s h VAL 141 Cb 0.86 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1n3s h VAL 141 CO 0.07 0.29 -0.04 1.56 0.02 0.00 0.00 177.57 179.47 1n3s h GLN 142 N -0.03 0.00 0.53 1.57 1.08 -1.26 -1.66 115.11 115.34 1n3s h GLN 142 Ca 0.04 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1n3s h GLN 142 Cb 0.47 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1n3s h GLN 142 CO 0.01 0.04 -0.26 0.35 -0.95 0.00 0.00 178.83 178.03 1n3s h PHE 143 N 0.00 -0.66 0.00 2.96 3.57 -0.86 -2.46 116.94 119.49 1n3s h PHE 143 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1n3s h PHE 143 Cb 0.57 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1n3s h PHE 143 CO 0.00 -0.41 -0.04 0.74 -2.23 0.00 0.00 178.31 176.37 1n3s h PHE 144 N -1.04 0.00 0.01 0.41 0.04 -1.48 -2.18 116.94 112.70 1n3s h PHE 144 Ca -0.07 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.44 1n3s h PHE 144 Cb 0.55 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.71 1n3s h PHE 144 CO 0.02 0.04 -1.02 0.00 -0.60 0.00 0.00 178.31 176.74 1n3s h ALA 145 N 1.96 0.22 0.00 2.45 0.00 -1.30 -3.36 119.26 119.24 1n3s h ALA 145 Ca -0.00 -0.71 -0.64 0.00 0.00 0.00 0.00 54.91 53.56 1n3s h ALA 145 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n3s h ALA 145 CO 0.00 0.75 3.07 1.04 0.00 0.00 0.00 179.25 184.12 1n3s n GLN 146 N -3.79 2.68 -3.49 0.00 1.13 -0.82 -4.27 117.38 108.81 1n3s n GLN 146 Ca -0.09 -2.18 -0.11 0.00 -1.94 0.00 0.00 57.00 52.68 1n3s n GLN 146 Cb 0.87 -2.97 -0.02 0.00 0.11 0.00 0.00 30.24 28.24 1n3s n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3s s ARG 147 N 3.34 1.37 -0.33 -1.09 0.52 -1.20 -0.60 118.95 120.96 1n3s s ARG 147 Ca 0.54 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.90 1n3s s ARG 147 Cb 0.15 0.59 -0.00 0.00 0.52 0.00 0.00 34.95 36.21 1n3s s ARG 147 CO -0.03 -0.60 1.42 -2.14 0.02 0.00 0.00 175.30 173.96 1n3s s PRO 148 N -3.78 3.74 0.33 3.54 0.02 -1.26 -3.86 135.00 133.74 1n3s s PRO 148 Ca 0.03 1.21 0.09 0.00 0.02 0.00 0.00 61.00 62.34 1n3s s PRO 148 Cb -0.02 -3.97 -0.05 0.00 0.02 0.00 0.00 34.50 30.48 1n3s s PRO 148 CO -0.10 -1.35 0.03 -0.65 -0.33 0.00 0.00 177.00 174.60 1n3s s GLN 149 N 4.60 2.13 -0.11 5.54 -1.52 0.11 -4.57 119.66 125.84 1n3s s GLN 149 Ca 0.62 -1.70 0.01 0.00 -1.95 0.00 0.00 55.36 52.34 1n3s s GLN 149 Cb -0.17 -1.98 0.02 0.00 -0.22 0.00 0.00 33.01 30.66 1n3s s GLN 149 CO 0.28 0.15 -0.14 0.08 -0.25 0.00 0.00 175.29 175.41 1n3s s VAL 150 N -2.49 1.41 0.25 1.09 1.01 -1.26 -1.07 120.40 119.33 1n3s s VAL 150 Ca 0.35 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1n3s s VAL 150 Cb -0.01 -1.30 0.22 0.00 0.00 0.00 0.00 36.38 35.29 1n3s s VAL 150 CO 0.20 0.42 1.82 -0.61 0.00 0.00 0.00 175.10 176.93 1n3s h GLN 151 N 7.52 0.81 -0.63 2.72 4.15 -1.99 -1.00 115.11 126.68 1n3s h GLN 151 Ca -0.32 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 58.97 1n3s h GLN 151 Cb 1.17 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.65 1n3s h GLN 151 CO 0.48 0.53 0.08 0.93 -1.93 0.00 0.00 178.83 178.93 1n3s h GLU 152 N 0.83 1.06 -0.20 1.69 3.07 -1.97 -2.00 114.58 117.06 1n3s h GLU 152 Ca 0.41 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 1n3s h GLU 152 Cb 0.36 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1n3s h GLU 152 CO -0.24 0.98 -0.03 -0.09 -1.40 0.00 0.00 179.01 178.23 1n3s h ARG 153 N 0.99 0.36 -0.61 2.33 2.43 -1.86 -2.84 114.38 115.18 1n3s h ARG 153 Ca 0.19 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1n3s h ARG 153 Cb 0.46 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1n3s h ARG 153 CO 0.02 0.60 0.28 1.25 -1.51 0.00 0.00 179.97 180.60 1n3s h LEU 154 N 0.10 0.35 -0.55 3.80 5.85 -1.03 0.65 115.31 124.47 1n3s h LEU 154 Ca 0.05 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1n3s h LEU 154 Cb 0.45 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1n3s h LEU 154 CO 0.02 0.22 0.36 0.74 -0.34 0.00 0.00 178.44 179.43 1n3s h THR 155 N 0.50 1.13 -0.34 1.05 2.02 -1.31 -1.83 112.91 114.13 1n3s h THR 155 Ca 0.29 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 1n3s h THR 155 Cb 0.29 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1n3s h THR 155 CO -0.25 0.13 -0.39 1.56 0.37 0.00 0.00 175.52 176.94 1n3s h GLN 156 N 0.74 0.83 -0.82 6.66 1.08 -1.16 -2.23 115.11 120.20 1n3s h GLN 156 Ca 0.21 -0.44 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1n3s h GLN 156 Cb -0.07 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 1n3s h GLN 156 CO -0.05 1.07 0.49 1.96 -0.95 0.00 0.00 178.83 181.35 1n3s h GLN 157 N 0.68 1.12 -0.24 1.46 4.20 -0.56 -1.17 115.11 120.60 1n3s h GLN 157 Ca 0.05 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1n3s h GLN 157 Cb 0.96 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1n3s h GLN 157 CO 0.09 0.79 -0.38 0.82 -0.67 0.00 0.00 178.83 179.47 1n3s h ILE 158 N 1.14 1.31 0.43 2.54 2.04 -1.23 -2.34 117.51 121.39 1n3s h ILE 158 Ca 0.30 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 1n3s h ILE 158 Cb -0.04 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1n3s h ILE 158 CO -0.05 0.50 -0.24 0.25 0.00 0.00 0.00 178.15 178.60 1n3s h LEU 159 N 0.40 -0.60 -0.80 1.44 5.85 -1.02 -1.26 115.31 119.32 1n3s h LEU 159 Ca 0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1n3s h LEU 159 Cb 0.98 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1n3s h LEU 159 CO 0.09 -0.39 0.37 0.40 -0.34 0.00 0.00 178.44 178.56 1n3s h ILE 160 N -0.63 1.26 -0.11 4.05 1.08 -1.31 0.60 117.51 122.45 1n3s h ILE 160 Ca -0.05 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1n3s h ILE 160 Cb 0.51 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1n3s h ILE 160 CO 0.06 0.31 0.06 0.00 -0.69 0.00 0.00 178.15 177.90 1n3s h ALA 161 N 1.20 0.14 -0.43 1.87 0.00 -1.29 -0.75 119.26 120.00 1n3s h ALA 161 Ca 0.27 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1n3s h ALA 161 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n3s h ALA 161 CO -0.03 -0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 178.62 1n3s h LEU 162 N 0.10 0.85 -0.63 0.00 3.38 -1.03 -2.12 115.31 115.85 1n3s h LEU 162 Ca 0.04 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1n3s h LEU 162 Cb 0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1n3s h LEU 162 CO -0.01 1.02 0.38 1.56 0.09 0.00 0.00 178.44 181.49 1n3s h GLN 163 N 0.73 0.86 -0.27 1.13 4.20 -0.57 -1.06 115.11 120.13 1n3s h GLN 163 Ca 0.11 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1n3s h GLN 163 Cb 0.72 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1n3s h GLN 163 CO 0.06 0.61 -0.16 1.15 -0.67 0.00 0.00 178.83 179.82 1n3s h THR 164 N 0.86 1.30 -0.41 -0.54 2.02 -0.98 0.18 112.91 115.34 1n3s h THR 164 Ca 0.23 -1.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 1n3s h THR 164 Cb -0.03 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1n3s h THR 164 CO -0.04 0.40 -0.18 -0.07 0.37 0.00 0.00 175.52 176.00 1n3s h LEU 165 N 0.31 0.79 0.00 2.58 3.38 -1.23 -3.16 115.31 117.98 1n3s h LEU 165 Ca 0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1n3s h LEU 165 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n3s h LEU 165 CO 0.04 0.96 -0.95 -0.07 0.09 0.00 0.00 178.44 178.52 1n3s h LEU 166 N 0.70 0.00 1.01 1.67 3.38 -1.20 -3.49 115.31 117.39 1n3s h LEU 166 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1n3s h LEU 166 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1n3s h LEU 166 CO 0.05 0.20 -0.19 0.61 0.09 0.00 0.00 178.44 179.21 1n3s n GLY 167 N 1.23 0.10 3.09 0.83 0.00 0.60 -4.51 105.19 106.53 1n3s n GLY 167 Ca -0.02 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1n3s n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3s s THR 168 N -2.36 0.12 -0.31 2.61 2.01 -0.97 -4.94 115.64 111.80 1n3s s THR 168 Ca 0.00 -0.99 0.23 0.00 0.31 0.00 0.00 61.69 61.23 1n3s s THR 168 Cb 0.00 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.85 1n3s s THR 168 CO 0.00 -0.55 1.14 0.78 -0.69 0.00 0.00 174.62 175.31 1n3s h ASN 169 N 3.95 0.00 -0.07 3.53 2.35 -1.92 -3.40 115.58 120.02 1n3s h ASN 169 Ca -0.32 -0.03 -0.60 0.00 -0.55 0.00 0.00 56.30 54.80 1n3s h ASN 169 Cb 1.19 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.60 1n3s h ASN 169 CO 0.47 0.01 2.05 0.59 -1.65 0.00 0.00 177.43 178.90 1n3s n ASN 170 N -2.65 2.51 -3.95 5.81 3.02 -1.26 -2.26 115.26 116.48 1n3s n ASN 170 Ca 0.01 -2.67 -0.12 0.00 -0.03 0.00 0.00 54.58 51.77 1n3s n ASN 170 Cb 0.53 -1.18 -0.13 0.00 -0.61 0.00 0.00 39.78 38.40 1n3s n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3s s VAL 171 N 6.11 0.18 -0.02 2.41 1.01 -1.22 -1.96 120.40 126.90 1n3s s VAL 171 Ca 0.60 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1n3s s VAL 171 Cb 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.29 1n3s s VAL 171 CO 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 175.10 175.03 1n3s s ALA 172 N -0.67 0.35 -0.05 5.51 0.00 0.16 -1.73 121.76 125.33 1n3s s ALA 172 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.99 1n3s s ALA 172 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1n3s s ALA 172 CO -0.00 -0.02 -0.12 0.08 0.00 0.00 0.00 175.76 175.69 1n3s s VAL 173 N 0.72 1.10 -0.03 0.00 1.01 -0.56 -0.93 120.40 121.71 1n3s s VAL 173 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1n3s s VAL 173 Cb -0.11 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.30 1n3s s VAL 173 CO -0.01 0.34 -0.03 -0.55 0.00 0.00 0.00 175.10 174.85 1n3s s SER 174 N 0.50 0.59 -0.12 3.32 0.15 -0.19 0.49 113.70 118.43 1n3s s SER 174 Ca -0.11 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1n3s s SER 174 Cb -0.14 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1n3s s SER 174 CO 0.03 -0.04 -0.17 -0.63 1.20 0.00 0.00 173.24 173.63 1n3s s ILE 175 N 0.67 1.66 -0.23 6.45 1.01 -0.66 -0.37 121.20 129.72 1n3s s ILE 175 Ca -0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1n3s s ILE 175 Cb -0.11 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1n3s s ILE 175 CO -0.01 0.47 0.06 -0.62 0.00 0.00 0.00 174.94 174.85 1n3s s ASP 176 N 1.02 5.16 -0.01 3.58 2.15 0.45 -1.43 116.67 127.59 1n3s s ASP 176 Ca -0.05 -0.17 -0.10 0.00 0.43 0.00 0.00 52.55 52.66 1n3s s ASP 176 Cb -0.15 -1.92 0.01 0.00 -0.30 0.00 0.00 42.92 40.57 1n3s s ASP 176 CO -0.03 0.01 0.22 0.00 -0.17 0.00 0.00 175.17 175.19 1n3s s ALA 177 N 1.37 -0.53 -0.20 3.66 0.00 0.11 -0.37 121.76 125.81 1n3s s ALA 177 Ca 0.05 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 1n3s s ALA 177 Cb -0.15 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1n3s s ALA 177 CO 0.03 -0.22 -0.01 0.08 0.00 0.00 0.00 175.76 175.64 1n3s s VAL 178 N -1.27 3.93 -0.26 0.00 1.01 0.36 -0.38 120.40 123.79 1n3s s VAL 178 Ca -0.13 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1n3s s VAL 178 Cb -0.06 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1n3s s VAL 178 CO 0.03 0.44 0.17 -1.00 0.00 0.00 0.00 175.10 174.73 1n3s s HIS 179 N 0.94 3.24 -0.99 5.22 3.76 -1.26 -1.21 115.29 124.99 1n3s s HIS 179 Ca 0.01 0.12 0.17 0.00 -0.15 0.00 0.00 55.06 55.21 1n3s s HIS 179 Cb -0.14 -2.33 0.72 0.00 1.11 0.00 0.00 32.58 31.93 1n3s s HIS 179 CO 0.02 -0.09 1.54 0.66 -0.85 0.00 0.00 174.74 176.01 1n3s n TYR 180 N 4.76 0.02 1.30 1.40 4.02 -0.63 -1.18 117.16 126.84 1n3s n TYR 180 Ca -0.15 0.01 0.14 0.00 -0.01 0.00 0.00 57.90 57.89 1n3s n TYR 180 Cb 0.52 -0.51 0.56 0.00 -0.02 0.00 0.00 39.34 39.89 1n3s n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3s n VAL 182 N -1.07 0.95 -0.05 0.00 0.31 -0.55 -4.40 118.33 113.52 1n3s n VAL 182 Ca 0.12 -0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1n3s n VAL 182 Cb 0.30 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.89 1n3s n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3s h LYS 183 N -0.14 -0.02 -0.19 5.55 3.64 -1.19 -1.98 116.57 122.25 1n3s h LYS 183 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1n3s h LYS 183 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1n3s h LYS 183 CO -0.10 0.78 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 1n3s n ALA 184 N -2.59 2.48 -3.19 5.00 0.00 -0.41 -3.88 120.51 117.92 1n3s n ALA 184 Ca -0.09 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 1n3s n ALA 184 Cb 0.39 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1n3s n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3s s ARG 185 N -1.77 1.12 5.66 0.00 3.52 -1.21 -4.96 118.95 121.31 1n3s s ARG 185 Ca 0.34 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 1n3s s ARG 185 Cb 0.20 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 34.10 1n3s s ARG 185 CO 0.30 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 1n3s n GLY 186 N -0.12 1.52 0.26 8.12 0.00 -1.26 -2.70 105.19 111.00 1n3s n GLY 186 Ca -0.17 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1n3s n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3s h ILE 187 N 0.00 0.19 -6.28 -0.61 6.09 -1.85 -3.47 117.51 111.57 1n3s h ILE 187 Ca 0.00 -0.72 -0.46 0.00 -1.37 0.00 0.00 64.86 62.32 1n3s h ILE 187 Cb 0.00 1.60 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 1n3s h ILE 187 CO 0.00 0.07 -0.84 0.54 -3.07 0.00 0.00 178.15 174.85 1n3s n ARG 188 N -3.20 -4.32 -2.74 2.19 1.74 -1.07 -4.94 116.66 104.33 1n3s n ARG 188 Ca 0.00 0.53 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 1n3s n ARG 188 Cb 0.35 -4.97 -0.03 0.00 -1.02 0.00 0.00 32.46 26.79 1n3s n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3s s ASP 189 N -4.23 6.35 0.47 0.55 -1.08 -0.77 -4.90 116.67 113.06 1n3s s ASP 189 Ca 0.09 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 52.15 1n3s s ASP 189 Cb -0.05 -2.48 0.76 0.00 -1.46 0.00 0.00 42.92 39.69 1n3s s ASP 189 CO 0.85 -1.36 1.76 0.00 0.52 0.00 0.00 175.17 176.93 1n3s h ALA 190 N 9.45 1.00 0.00 3.66 0.00 -1.87 -3.34 119.26 128.16 1n3s h ALA 190 Ca -0.26 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1n3s h ALA 190 Cb 1.07 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1n3s h ALA 190 CO 1.14 0.00 -2.04 0.25 0.00 0.00 0.00 179.25 178.60 1n3s n THR 191 N -3.03 0.53 -1.46 0.00 -2.24 -1.26 -5.03 114.28 101.78 1n3s n THR 191 Ca 0.03 -0.58 -0.33 0.00 -2.27 0.00 0.00 64.05 60.89 1n3s n THR 191 Cb 0.43 -0.19 0.08 0.00 -2.10 0.00 0.00 70.33 68.56 1n3s n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3s s SER 192 N -4.66 4.43 -0.10 3.42 1.04 -1.26 -5.07 113.70 111.49 1n3s s SER 192 Ca -0.08 2.16 -0.21 0.00 0.48 0.00 0.00 55.95 58.30 1n3s s SER 192 Cb 0.09 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.70 1n3s s SER 192 CO 0.78 -2.10 0.51 0.00 0.98 0.00 0.00 173.24 173.41 1n3s s ALA 193 N -2.26 -1.29 -0.14 5.32 0.00 -1.26 -4.84 121.76 117.29 1n3s s ALA 193 Ca 0.70 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.74 1n3s s ALA 193 Cb -0.24 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1n3s s ALA 193 CO 0.46 -0.29 -0.05 0.99 0.00 0.00 0.00 175.76 176.87 1n3s s THR 194 N -0.59 3.79 -0.16 0.00 2.01 0.49 -4.92 115.64 116.25 1n3s s THR 194 Ca -0.07 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1n3s s THR 194 Cb -0.03 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 1n3s s THR 194 CO 0.04 0.51 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.47 1n3s s THR 195 N 0.16 2.85 -0.22 -0.82 2.01 -1.26 0.10 115.64 118.46 1n3s s THR 195 Ca -0.02 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1n3s s THR 195 Cb -0.14 -2.22 0.05 0.00 0.01 0.00 0.00 72.50 70.20 1n3s s THR 195 CO 0.03 0.50 -0.09 0.42 -0.69 0.00 0.00 174.62 174.79 1n3s s THR 196 N 0.88 1.67 -0.14 -0.82 -4.23 -0.52 -4.98 115.64 107.50 1n3s s THR 196 Ca -0.03 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1n3s s THR 196 Cb -0.15 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 1n3s s THR 196 CO -0.01 0.06 -0.08 0.42 -0.54 0.00 0.00 174.62 174.47 1n3s s THR 197 N 1.36 3.52 -0.27 3.99 -4.23 -1.26 -1.66 115.64 117.09 1n3s s THR 197 Ca -0.04 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1n3s s THR 197 Cb -0.18 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.22 1n3s s THR 197 CO -0.07 0.51 -0.10 -0.44 -0.54 0.00 0.00 174.62 173.98 1n3s s SER 198 N 0.31 4.47 -0.04 3.99 0.01 0.18 -4.99 113.70 117.62 1n3s s SER 198 Ca -0.07 -1.46 -0.06 0.00 1.31 0.00 0.00 55.95 55.68 1n3s s SER 198 Cb -0.15 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1n3s s SER 198 CO 0.04 -0.21 0.20 -0.76 0.41 0.00 0.00 173.24 172.93 1n3s s LEU 199 N 1.09 4.38 0.04 2.44 1.43 -1.26 -1.49 118.68 125.31 1n3s s LEU 199 Ca -0.07 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1n3s s LEU 199 Cb -0.20 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 1n3s s LEU 199 CO -0.05 0.31 0.07 -0.83 0.23 0.00 0.00 176.35 176.08 1n3s s GLY 200 N -1.53 0.21 0.00 -3.19 0.00 -0.70 -4.67 107.32 97.44 1n3s s GLY 200 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1n3s s GLY 200 CO 0.13 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 173.08 1n3s n GLY 201 N 0.75 3.11 0.30 0.20 0.00 -0.96 -2.39 105.19 106.20 1n3s n GLY 201 Ca -0.19 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 45.82 1n3s n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3s h LEU 202 N 0.00 0.00 -0.29 0.99 3.38 -1.91 0.58 115.31 118.06 1n3s h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3s h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3s h LEU 202 CO 0.00 0.01 0.00 0.49 0.09 0.00 0.00 178.44 179.03 1n3s n PHE 203 N -3.13 0.68 0.00 1.13 3.72 -1.01 -3.25 117.46 115.61 1n3s n PHE 203 Ca -0.01 0.23 -0.00 0.00 -0.05 0.00 0.00 57.45 57.62 1n3s n PHE 203 Cb 0.23 -0.88 -0.00 0.00 -0.94 0.00 0.00 39.48 37.89 1n3s n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3s n LYS 204 N -2.09 0.02 0.27 -1.08 4.81 -0.59 -4.19 118.16 115.31 1n3s n LYS 204 Ca 0.04 0.01 -0.16 0.00 -0.87 0.00 0.00 58.31 57.33 1n3s n LYS 204 Cb 0.31 -0.23 -0.09 0.00 0.02 0.00 0.00 35.03 35.04 1n3s n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3s h SER 205 N -0.04 -1.23 -3.23 3.14 4.64 -1.11 -3.42 113.55 112.30 1n3s h SER 205 Ca 0.00 0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.88 1n3s h SER 205 Cb 0.04 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1n3s h SER 205 CO 0.00 -0.60 0.55 -0.55 -0.87 0.00 0.00 176.83 175.36 1n3s s SER 206 N -4.10 7.10 0.36 4.97 0.15 -1.20 -4.93 113.70 116.06 1n3s s SER 206 Ca -0.16 2.02 0.05 0.00 0.70 0.00 0.00 55.95 58.56 1n3s s SER 206 Cb 0.04 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.46 1n3s s SER 206 CO 0.53 -0.45 1.95 -0.61 1.20 0.00 0.00 173.24 175.86 1n3s h GLN 207 N 6.67 0.54 0.00 5.44 5.75 -1.81 -3.25 115.11 128.44 1n3s h GLN 207 Ca -0.42 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1n3s h GLN 207 Cb 1.21 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.67 1n3s h GLN 207 CO 0.80 0.48 0.00 -1.71 -2.65 0.00 0.00 178.83 175.75 1n3s n ASN 208 N -4.35 0.00 0.00 -0.69 5.15 -1.26 -3.45 115.26 110.65 1n3s n ASN 208 Ca 0.02 0.93 0.09 0.00 -0.60 0.00 0.00 54.58 55.02 1n3s n ASN 208 Cb 0.17 -0.43 0.43 0.00 -0.53 0.00 0.00 39.78 39.42 1n3s n ASN 208 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1n3s n THR 209 N -2.03 0.54 -0.04 -0.44 -1.04 -1.25 -3.03 114.28 106.98 1n3s n THR 209 Ca 0.00 0.13 -0.15 0.00 -2.04 0.00 0.00 64.05 61.99 1n3s n THR 209 Cb 0.00 -0.84 -0.08 0.00 -1.82 0.00 0.00 70.33 67.59 1n3s n THR 209 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1n3s h ARG 210 N 0.00 0.50 0.00 -2.82 2.43 -1.59 -3.16 114.38 109.74 1n3s h ARG 210 Ca 0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1n3s h ARG 210 Cb 0.19 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1n3s h ARG 210 CO 0.00 0.99 -0.21 0.72 -1.51 0.00 0.00 179.97 179.96 1n3s n HIS 211 N -4.30 0.16 0.09 2.20 8.25 -1.17 -3.06 115.22 117.39 1n3s n HIS 211 Ca -0.07 0.05 -0.07 0.00 -0.26 0.00 0.00 57.72 57.36 1n3s n HIS 211 Cb 0.54 -0.49 0.02 0.00 1.12 0.00 0.00 29.99 31.18 1n3s n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1n3s h GLU 212 N 0.00 0.14 0.00 -0.41 5.08 -1.59 -3.26 114.58 114.55 1n3s h GLU 212 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1n3s h GLU 212 Cb 0.55 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1n3s h GLU 212 CO 0.00 0.89 -0.23 0.35 -1.00 0.00 0.00 179.01 179.01 1n3s h PHE 213 N 0.08 0.00 -0.69 4.33 3.57 -1.63 -3.37 116.94 119.24 1n3s h PHE 213 Ca -0.03 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.67 1n3s h PHE 213 Cb 1.44 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 1n3s h PHE 213 CO 0.02 0.00 0.93 -0.07 -2.23 0.00 0.00 178.31 176.96 1n3s h LEU 214 N -0.65 0.00 0.13 0.59 3.38 -1.71 0.55 115.31 117.61 1n3s h LEU 214 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1n3s h LEU 214 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1n3s h LEU 214 CO 0.00 0.00 -1.79 -0.09 0.09 0.00 0.00 178.44 176.65 1n3s h ARG 215 N 0.00 0.28 -0.59 1.13 2.43 -1.78 -3.33 114.38 112.52 1n3s h ARG 215 Ca 0.33 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1n3s h ARG 215 Cb 2.18 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.91 1n3s h ARG 215 CO -0.00 1.23 0.00 0.00 -1.51 0.00 0.00 179.97 179.69 1n3s n ALA 216 N -2.98 2.58 -2.66 2.80 0.00 0.14 -4.81 120.51 115.58 1n3s n ALA 216 Ca -0.29 -0.17 -0.37 0.00 0.00 0.00 0.00 53.44 52.61 1n3s n ALA 216 Cb 1.01 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 1n3s n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3s s VAL 217 N -1.48 5.22 -0.18 0.00 1.01 -0.93 -4.73 120.40 119.31 1n3s s VAL 217 Ca 0.05 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1n3s s VAL 217 Cb 0.04 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1n3s s VAL 217 CO 0.02 0.55 0.09 -1.14 0.00 0.00 0.00 175.10 174.63 1n3s n ARG 218 N 1.73 -1.66 -4.38 2.72 0.00 -1.26 -5.04 116.66 108.77 1n3s n ARG 218 Ca -0.15 1.60 -0.27 0.00 -0.00 0.00 0.00 57.85 59.03 1n3s n ARG 218 Cb 0.53 -3.41 -0.12 0.00 0.00 0.00 0.00 32.46 29.46 1n3s n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3s s HIS 219 N -1.14 2.19 -0.26 -0.14 3.76 -1.26 -5.13 115.29 113.31 1n3s s HIS 219 Ca 0.04 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.55 1n3s s HIS 219 Cb -0.01 -1.16 0.03 0.00 1.11 0.00 0.00 32.58 32.55 1n3s s HIS 219 CO 0.41 0.36 -0.05 -1.58 -0.85 0.00 0.00 174.74 173.03 1n3s s HIS 220 N -1.30 3.09 0.00 1.40 2.46 -1.26 -4.91 115.29 114.77 1n3s s HIS 220 Ca 0.15 -1.58 0.00 0.00 0.47 0.00 0.00 55.06 54.10 1n3s s HIS 220 Cb -0.09 -2.07 0.00 0.00 -0.13 0.00 0.00 32.58 30.29 1n3s s HIS 220 CO 0.07 -0.73 0.00 0.09 -2.47 0.00 0.00 174.74 171.69