#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 -5.19 113.62 113.60 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 -0.36 -0.55 -1.33 0.00 0.00 177.39 175.15 1n3s s SER 4 N 1.00 0.61 0.02 -1.43 0.15 -1.26 -5.08 113.70 107.71 1n3s s SER 4 Ca 0.00 -1.01 -0.26 0.00 0.70 0.00 0.00 55.95 55.38 1n3s s SER 4 Cb 0.00 0.18 -0.17 0.00 -1.71 0.00 0.00 66.02 64.32 1n3s s SER 4 CO 0.00 -0.58 1.34 0.11 1.20 0.00 0.00 173.24 175.31 1n3s h LYS 5 N 3.10 -0.34 0.00 5.44 1.57 -2.00 -2.12 116.57 122.22 1n3s h LYS 5 Ca -0.34 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1n3s h LYS 5 Cb 1.15 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1n3s h LYS 5 CO 0.65 -0.04 -0.34 0.93 -0.57 0.00 0.00 179.45 180.08 1n3s h GLU 6 N -0.64 0.00 -0.36 3.15 3.07 -1.97 -2.29 114.58 115.54 1n3s h GLU 6 Ca -0.04 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 1n3s h GLU 6 Cb 0.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1n3s h GLU 6 CO 0.06 0.34 -0.38 0.00 -1.40 0.00 0.00 179.01 177.64 1n3s h ALA 7 N 1.66 0.66 -0.33 3.43 0.00 -1.91 -2.70 119.26 120.06 1n3s h ALA 7 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1n3s h ALA 7 Cb 0.61 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n3s h ALA 7 CO 0.04 0.67 -0.45 0.00 0.00 0.00 0.00 179.25 179.52 1n3s h ALA 8 N 0.87 0.58 -0.51 0.00 0.00 -1.06 -1.75 119.26 117.39 1n3s h ALA 8 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1n3s h ALA 8 Cb 0.95 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1n3s h ALA 8 CO 0.09 0.68 0.20 -0.07 0.00 0.00 0.00 179.25 180.15 1n3s h LEU 9 N 0.69 0.71 0.05 0.00 3.38 -1.37 -1.79 115.31 116.97 1n3s h LEU 9 Ca 0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1n3s h LEU 9 Cb 1.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1n3s h LEU 9 CO 0.10 0.69 -0.02 0.58 0.09 0.00 0.00 178.44 179.88 1n3s h VAL 10 N 0.69 1.11 -0.15 1.22 2.07 -1.48 -1.86 116.25 117.84 1n3s h VAL 10 Ca 0.17 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1n3s h VAL 10 Cb 0.21 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1n3s h VAL 10 CO -0.01 0.13 -0.27 -0.74 0.02 0.00 0.00 177.57 176.70 1n3s h HIS 11 N -0.30 -0.73 0.00 1.57 -0.00 -1.22 -0.84 115.15 113.63 1n3s h HIS 11 Ca -0.01 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1n3s h HIS 11 Cb 0.27 0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1n3s h HIS 11 CO 0.00 -0.35 -0.29 0.93 -0.00 0.00 0.00 177.93 178.22 1n3s h GLU 12 N -0.33 0.00 -0.13 5.26 5.08 -1.34 -1.21 114.58 121.92 1n3s h GLU 12 Ca 0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 1n3s h GLU 12 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1n3s h GLU 12 CO -0.34 0.29 -0.64 0.00 -1.00 0.00 0.00 179.01 177.32 1n3s h ALA 13 N 1.71 0.66 0.05 3.43 0.00 -0.60 -2.08 119.26 122.42 1n3s h ALA 13 Ca -0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 54.91 54.07 1n3s h ALA 13 Cb 0.70 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1n3s h ALA 13 CO 0.04 0.72 -1.11 -0.07 0.00 0.00 0.00 179.25 178.82 1n3s h LEU 14 N 0.34 0.85 -0.83 0.00 3.38 -0.83 -3.18 115.31 115.05 1n3s h LEU 14 Ca -0.01 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 1n3s h LEU 14 Cb 1.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1n3s h LEU 14 CO 0.11 1.53 0.17 0.58 0.09 0.00 0.00 178.44 180.93 1n3s h VAL 15 N 0.33 1.25 0.00 1.22 2.07 -1.22 0.12 116.25 120.02 1n3s h VAL 15 Ca -0.15 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1n3s h VAL 15 Cb 1.77 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1n3s h VAL 15 CO 0.21 0.35 0.00 0.00 0.02 0.00 0.00 177.57 178.16 1n3s h ALA 16 N 1.18 1.00 -0.00 1.67 0.00 -1.42 -1.93 119.26 119.76 1n3s h ALA 16 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1n3s h ALA 16 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1n3s h ALA 16 CO -0.00 0.00 -0.60 0.54 0.00 0.00 0.00 179.25 179.19 1n3s n ARG 17 N -2.93 2.30 -2.38 0.00 3.00 -0.79 -5.00 116.66 110.87 1n3s n ARG 17 Ca -0.01 -0.12 -0.04 0.00 -0.01 0.00 0.00 57.85 57.67 1n3s n ARG 17 Cb 0.19 -1.17 0.01 0.00 0.00 0.00 0.00 32.46 31.49 1n3s n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3s n GLY 18 N 1.29 0.43 1.25 -0.13 0.00 -0.23 -4.99 105.19 102.81 1n3s n GLY 18 Ca 0.03 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.96 3.86 -4.80 0.99 4.77 0.26 -5.00 117.00 116.12 1n3s n LEU 19 Ca -0.02 -2.06 -0.35 0.00 -0.03 0.00 0.00 56.01 53.54 1n3s n LEU 19 Cb 0.52 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1n3s n LEU 19 CO 0.09 0.92 0.61 -1.61 -1.33 0.00 0.00 177.39 176.07 1n3s s GLU 20 N -1.11 4.39 0.12 3.23 0.41 -1.26 -4.88 118.70 119.59 1n3s s GLU 20 Ca 0.45 1.16 -0.31 0.00 -0.41 0.00 0.00 54.97 55.86 1n3s s GLU 20 Cb 0.24 -2.57 -0.08 0.00 -1.78 0.00 0.00 34.13 29.94 1n3s s GLU 20 CO 0.29 0.17 1.42 0.99 -0.49 0.00 0.00 175.26 177.65 1n3s s THR 21 N -1.83 3.19 -0.98 3.63 2.01 -1.26 -4.85 115.64 115.55 1n3s s THR 21 Ca 0.54 0.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.28 1n3s s THR 21 Cb -0.14 -3.54 -0.32 0.00 0.01 0.00 0.00 72.50 68.50 1n3s s THR 21 CO 0.19 0.06 2.18 -2.65 -0.69 0.00 0.00 174.62 173.72 1n3s n PRO 22 N 3.99 0.05 -4.63 4.92 -0.02 -1.26 -4.92 135.00 133.13 1n3s n PRO 22 Ca 0.12 -0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 1n3s n PRO 22 Cb 0.42 -1.24 -0.17 0.00 -0.02 0.00 0.00 33.50 32.49 1n3s n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3s s LEU 23 N 1.38 2.00 0.15 2.45 1.02 -1.26 -5.14 118.68 119.28 1n3s s LEU 23 Ca 1.29 -0.55 -0.28 0.00 0.02 0.00 0.00 54.13 54.61 1n3s s LEU 23 Cb -0.79 -1.34 -0.07 0.00 0.02 0.00 0.00 46.19 44.01 1n3s s LEU 23 CO 0.53 0.06 0.86 -0.60 0.02 0.00 0.00 176.35 177.22 1n3s s ARG 24 N 0.85 4.67 -0.24 1.70 3.52 -1.26 -4.99 118.95 123.19 1n3s s ARG 24 Ca -0.07 1.30 -0.38 0.00 -0.13 0.00 0.00 55.73 56.44 1n3s s ARG 24 Cb -0.15 -3.31 -0.14 0.00 -1.56 0.00 0.00 34.95 29.78 1n3s s ARG 24 CO -0.01 0.42 1.82 -2.30 -0.81 0.00 0.00 175.30 174.41 1n3s n PRO 25 N 2.08 1.40 -0.26 5.12 -0.02 -1.26 -4.88 135.00 137.19 1n3s n PRO 25 Ca -0.02 0.51 0.33 0.00 -2.02 0.00 0.00 63.50 62.29 1n3s n PRO 25 Cb 0.49 -2.26 0.70 0.00 -0.02 0.00 0.00 33.50 32.40 1n3s n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3s h PRO 26 N 8.12 0.00 0.00 0.52 0.11 -2.06 -3.46 132.00 135.23 1n3s h PRO 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n3s h PRO 26 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1n3s h PRO 26 CO 0.96 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 179.03 1n3s n VAL 27 N -3.87 0.00 -4.40 3.15 0.31 -1.26 -4.46 118.33 107.79 1n3s n VAL 27 Ca 0.23 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.25 1n3s n VAL 27 Cb 1.25 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 34.08 1n3s n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3s s HIS 28 N 0.00 2.87 -0.50 3.52 -3.43 -1.26 -5.09 115.29 111.39 1n3s s HIS 28 Ca 0.00 -0.06 -0.20 0.00 -0.80 0.00 0.00 55.06 54.00 1n3s s HIS 28 Cb 0.00 -1.58 0.05 0.00 -1.43 0.00 0.00 32.58 29.62 1n3s s HIS 28 CO 0.00 0.39 0.70 -1.21 -2.00 0.00 0.00 174.74 172.61 1n3s s GLU 29 N -1.60 3.19 0.46 -0.38 2.02 -1.26 -5.05 118.70 116.08 1n3s s GLU 29 Ca 0.18 -0.67 -0.17 0.00 0.02 0.00 0.00 54.97 54.33 1n3s s GLU 29 Cb -0.11 -4.06 -0.09 0.00 0.10 0.00 0.00 34.13 29.97 1n3s s GLU 29 CO 0.09 -1.24 0.93 1.41 0.02 0.00 0.00 175.26 176.47 1n3s s MET 30 N 2.95 4.04 0.24 1.61 -2.45 -1.26 -5.01 119.30 119.42 1n3s s MET 30 Ca 0.20 0.95 -0.30 0.00 -1.25 0.00 0.00 55.69 55.28 1n3s s MET 30 Cb -0.17 -2.20 -0.10 0.00 1.25 0.00 0.00 34.83 33.61 1n3s s MET 30 CO 0.15 -0.13 1.51 0.34 1.05 0.00 0.00 175.02 177.94 1n3s s ASP 31 N -2.69 6.56 0.34 1.11 2.15 -1.26 -4.92 116.67 117.95 1n3s s ASP 31 Ca 0.59 2.74 0.04 0.00 0.43 0.00 0.00 52.55 56.35 1n3s s ASP 31 Cb -0.10 -2.62 0.67 0.00 -0.30 0.00 0.00 42.92 40.58 1n3s s ASP 31 CO 0.24 -0.79 1.92 -1.13 -0.17 0.00 0.00 175.17 175.24 1n3s h ASN 32 N 5.35 0.76 1.45 -0.34 -1.24 -2.00 -1.58 115.58 117.98 1n3s h ASN 32 Ca -0.46 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.57 1n3s h ASN 32 Cb 1.22 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1n3s h ASN 32 CO 0.81 0.47 0.00 -0.62 -1.29 0.00 0.00 177.43 176.80 1n3s n GLU 33 N -4.50 0.27 0.05 6.67 1.02 -1.26 -2.90 120.64 119.98 1n3s n GLU 33 Ca 0.13 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.34 1n3s n GLU 33 Cb 0.27 -1.82 -0.14 0.00 -0.02 0.00 0.00 31.44 29.73 1n3s n GLU 33 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1n3s h THR 34 N 0.00 1.07 -0.58 2.62 2.02 -1.69 -3.12 112.91 113.23 1n3s h THR 34 Ca 0.00 -2.74 -0.07 0.00 0.77 0.00 0.00 66.41 64.37 1n3s h THR 34 Cb 0.73 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1n3s h THR 34 CO 0.00 0.80 0.07 0.03 0.37 0.00 0.00 175.52 176.79 1n3s h ARG 35 N 0.06 0.96 -0.33 6.66 3.08 -1.36 -1.82 114.38 121.63 1n3s h ARG 35 Ca -0.27 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.49 1n3s h ARG 35 Cb 2.02 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 1n3s h ARG 35 CO 0.15 0.90 0.02 0.87 -1.07 0.00 0.00 179.97 180.83 1n3s h LYS 36 N 0.90 0.56 -0.01 0.04 1.57 -1.63 -1.94 116.57 116.07 1n3s h LYS 36 Ca 0.18 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1n3s h LYS 36 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1n3s h LYS 36 CO 0.01 0.68 -0.51 0.66 -0.57 0.00 0.00 179.45 179.73 1n3s h SER 37 N 0.37 0.02 0.38 0.86 4.64 -1.45 -0.46 113.55 117.91 1n3s h SER 37 Ca 0.09 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.16 1n3s h SER 37 Cb 0.42 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1n3s h SER 37 CO 0.01 0.52 -1.07 -0.07 -0.87 0.00 0.00 176.83 175.35 1n3s h LEU 38 N 0.01 0.56 -0.29 5.97 3.38 -1.26 -1.34 115.31 122.34 1n3s h LEU 38 Ca -0.00 -0.50 -0.19 0.00 0.09 0.00 0.00 57.88 57.27 1n3s h LEU 38 Cb 0.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1n3s h LEU 38 CO 0.07 1.32 -0.62 0.40 0.09 0.00 0.00 178.44 179.70 1n3s h ILE 39 N 0.19 1.28 -0.50 1.22 2.04 -1.27 -1.50 117.51 118.98 1n3s h ILE 39 Ca -0.11 -1.82 -0.05 0.00 1.00 0.00 0.00 64.86 63.87 1n3s h ILE 39 Cb 1.74 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1n3s h ILE 39 CO 0.19 0.58 0.09 0.00 0.00 0.00 0.00 178.15 179.01 1n3s h ALA 40 N 0.70 1.23 -0.46 1.87 0.00 -1.10 0.21 119.26 121.71 1n3s h ALA 40 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1n3s h ALA 40 Cb 1.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1n3s h ALA 40 CO 0.13 0.53 -0.16 0.78 0.00 0.00 0.00 179.25 180.53 1n3s h GLY 41 N 0.94 0.95 1.85 0.00 0.00 -1.01 -1.39 103.07 104.42 1n3s h GLY 41 Ca 0.16 -0.78 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 1n3s h GLY 41 CO 0.00 0.71 -0.68 0.45 0.00 0.00 0.00 176.54 177.02 1n3s h HIS 42 N 0.78 0.19 0.00 5.60 -0.00 -0.57 -2.82 115.15 118.33 1n3s h HIS 42 Ca 0.12 -0.08 -0.16 0.00 -0.00 0.00 0.00 60.37 60.25 1n3s h HIS 42 Cb 0.69 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.04 1n3s h HIS 42 CO 0.04 0.78 -0.74 0.52 -0.00 0.00 0.00 177.93 178.53 1n3s h MET 43 N 0.10 0.00 -0.22 2.45 2.86 -0.79 -2.39 114.93 116.94 1n3s h MET 43 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 1n3s h MET 43 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1n3s h MET 43 CO 0.10 0.74 -0.29 1.15 1.06 0.00 0.00 176.91 179.66 1n3s h THR 44 N 0.00 1.27 -0.28 2.22 2.02 -1.15 -1.28 112.91 115.71 1n3s h THR 44 Ca -0.01 -1.33 -0.14 0.00 0.77 0.00 0.00 66.41 65.70 1n3s h THR 44 Cb 1.31 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1n3s h THR 44 CO 0.10 0.42 -0.36 -0.33 0.37 0.00 0.00 175.52 175.71 1n3s h GLU 45 N 0.38 0.74 -0.61 6.66 4.39 -1.31 -2.56 114.58 122.28 1n3s h GLU 45 Ca 0.05 -0.42 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 1n3s h GLU 45 Cb 0.71 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1n3s h GLU 45 CO 0.05 1.04 0.11 0.82 -1.16 0.00 0.00 179.01 179.87 1n3s h ILE 46 N 0.48 1.26 -0.09 3.13 2.04 -1.17 -2.35 117.51 120.81 1n3s h ILE 46 Ca 0.03 -0.99 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 1n3s h ILE 46 Cb 0.95 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1n3s h ILE 46 CO 0.09 0.37 -0.41 0.24 0.00 0.00 0.00 178.15 178.43 1n3s h MET 47 N 0.90 0.20 -0.11 2.37 2.86 -1.24 -2.70 114.93 117.22 1n3s h MET 47 Ca 0.18 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1n3s h MET 47 Cb 0.42 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1n3s h MET 47 CO 0.01 0.58 -0.51 1.96 1.06 0.00 0.00 176.91 180.01 1n3s h GLN 48 N 0.17 0.29 0.00 1.72 4.20 -1.26 -2.30 115.11 117.94 1n3s h GLN 48 Ca 0.02 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1n3s h GLN 48 Cb 0.80 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1n3s h GLN 48 CO 0.06 0.74 0.00 1.28 -0.67 0.00 0.00 178.83 180.24 1n3s n LEU 49 N -3.95 0.00 -0.73 1.46 4.77 -0.90 -2.52 117.00 115.13 1n3s n LEU 49 Ca -0.02 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1n3s n LEU 49 Cb 0.56 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1n3s n LEU 49 CO 0.44 -0.06 0.56 0.18 -1.33 0.00 0.00 177.39 177.17 1n3s n LEU 50 N -1.41 2.62 -2.91 2.23 4.77 -0.96 -4.99 117.00 116.36 1n3s n LEU 50 Ca 0.09 -1.24 -0.18 0.00 -0.03 0.00 0.00 56.01 54.65 1n3s n LEU 50 Cb 0.25 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1n3s n LEU 50 CO 0.21 0.52 0.18 0.59 -1.33 0.00 0.00 177.39 177.56 1n3s n ASN 51 N 0.95 -4.87 -4.76 -1.43 3.02 -1.05 -5.03 115.26 102.10 1n3s n ASN 51 Ca 0.11 -0.43 -0.36 0.00 -0.03 0.00 0.00 54.58 53.88 1n3s n ASN 51 Cb 0.44 -4.04 -0.07 0.00 -0.61 0.00 0.00 39.78 35.49 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 -5.83 4.26 -0.48 3.41 1.43 -0.91 -5.04 118.68 115.52 1n3s s LEU 52 Ca 0.38 0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 53.57 1n3s s LEU 52 Cb -0.17 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1n3s s LEU 52 CO 0.57 0.20 1.35 -0.62 0.23 0.00 0.00 176.35 178.08 1n3s s ASP 53 N 0.12 6.33 0.00 2.29 2.15 -1.26 -4.58 116.67 121.72 1n3s s ASP 53 Ca 0.12 0.57 0.30 0.00 0.43 0.00 0.00 52.55 53.97 1n3s s ASP 53 Cb -0.12 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.45 1n3s s ASP 53 CO 0.01 -1.49 2.04 0.18 -0.17 0.00 0.00 175.17 175.74 1n3s n LEU 54 N 8.87 0.05 0.10 -1.34 4.77 -1.26 -3.15 117.00 125.03 1n3s n LEU 54 Ca 0.14 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1n3s n LEU 54 Cb 0.49 -0.28 0.44 0.00 -2.33 0.00 0.00 43.42 41.74 1n3s n LEU 54 CO 0.71 0.01 0.88 0.00 -1.33 0.00 0.00 177.39 177.66 1n3s n ALA 55 N -1.26 2.14 -2.25 -1.18 0.00 -1.26 -4.10 120.51 112.60 1n3s n ALA 55 Ca 0.14 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1n3s n ALA 55 Cb 0.25 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -4.29 7.03 0.00 0.00 2.15 -1.19 -4.92 116.67 115.45 1n3s s ASP 56 Ca 0.10 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.22 1n3s s ASP 56 Cb 0.12 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1n3s s ASP 56 CO 0.54 -0.48 0.93 -0.90 -0.17 0.00 0.00 175.17 175.09 1n3s n ASP 57 N 3.48 0.00 -0.13 -0.34 5.75 -1.26 -2.04 116.55 122.01 1n3s n ASP 57 Ca 0.08 0.43 -0.27 0.00 -0.01 0.00 0.00 54.79 55.02 1n3s n ASP 57 Cb 0.45 -0.43 -0.09 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.43 1.75 0.02 -1.12 2.88 -1.26 -4.52 113.62 109.95 1n3s n SER 58 Ca 0.00 0.30 0.10 0.00 -1.33 0.00 0.00 58.87 57.94 1n3s n SER 58 Cb 0.07 -0.73 0.43 0.00 -0.75 0.00 0.00 64.21 63.23 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 -4.11 0.14 -0.17 2.46 4.77 -1.15 -3.50 117.00 115.44 1n3s n LEU 59 Ca -0.49 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1n3s n LEU 59 Cb 0.85 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1n3s n LEU 59 CO 0.03 -0.21 0.87 -0.03 -1.33 0.00 0.00 177.39 176.72 1n3s h MET 60 N 0.00 0.79 -0.15 3.23 4.05 -1.56 -3.07 114.93 118.21 1n3s h MET 60 Ca 0.00 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1n3s h MET 60 Cb 0.37 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1n3s h MET 60 CO 0.00 0.78 0.00 0.39 0.23 0.00 0.00 176.91 178.31 1n3s n GLU 61 N -4.45 1.86 -0.14 0.39 -0.58 -1.23 -4.40 120.64 112.10 1n3s n GLU 61 Ca 0.01 -1.29 -0.11 0.00 -0.42 0.00 0.00 57.16 55.36 1n3s n GLU 61 Cb 0.24 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 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 2.75 1.27 -0.31 2.62 2.02 -1.67 -2.56 112.91 117.02 1n3s h THR 62 Ca 0.00 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1n3s h THR 62 Cb 0.60 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1n3s h THR 62 CO 0.00 0.38 0.03 -0.65 0.37 0.00 0.00 175.52 175.66 1n3s h PRO 63 N 0.59 0.47 -0.51 6.66 0.11 -1.77 -1.62 132.00 135.93 1n3s h PRO 63 Ca 0.11 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 1n3s h PRO 63 Cb 0.57 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1n3s h PRO 63 CO 0.03 0.47 -0.13 1.25 -0.21 0.00 0.00 178.00 179.41 1n3s h HIS 64 N 0.46 1.09 -0.08 0.65 -0.00 -1.83 -2.25 115.15 113.18 1n3s h HIS 64 Ca 0.10 -0.23 -0.20 0.00 -0.00 0.00 0.00 60.37 60.04 1n3s h HIS 64 Cb 0.25 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1n3s h HIS 64 CO 0.01 1.03 -0.78 0.00 -0.00 0.00 0.00 177.93 178.19 1n3s h ARG 65 N 0.86 0.51 -0.08 5.26 3.08 -1.01 -1.50 114.38 121.51 1n3s h ARG 65 Ca 0.13 -0.44 -0.13 0.00 0.07 0.00 0.00 59.98 59.62 1n3s h ARG 65 Cb 0.69 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1n3s h ARG 65 CO 0.05 1.07 -0.51 0.82 -1.07 0.00 0.00 179.97 180.33 1n3s h ILE 66 N 0.34 1.36 -0.21 2.04 2.04 -1.29 -1.26 117.51 120.52 1n3s h ILE 66 Ca -0.05 -1.77 -0.10 0.00 1.00 0.00 0.00 64.86 63.94 1n3s h ILE 66 Cb 1.38 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1n3s h ILE 66 CO 0.14 0.52 -0.25 0.00 0.00 0.00 0.00 178.15 178.56 1n3s h ALA 67 N 1.30 0.32 0.00 1.87 0.00 -1.37 -2.03 119.26 119.36 1n3s h ALA 67 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1n3s h ALA 67 Cb 0.97 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1n3s h ALA 67 CO 0.08 0.30 -0.28 -0.22 0.00 0.00 0.00 179.25 179.13 1n3s h LYS 68 N 0.23 0.00 -0.03 0.00 3.64 -1.16 -2.43 116.57 116.82 1n3s h LYS 68 Ca 0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1n3s h LYS 68 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1n3s h LYS 68 CO 0.06 0.28 -0.09 1.98 -2.27 0.00 0.00 179.45 179.41 1n3s h MET 69 N 0.00 0.11 -0.53 1.90 4.05 -1.07 -1.97 114.93 117.42 1n3s h MET 69 Ca -0.00 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.23 1n3s h MET 69 Cb 0.60 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 1n3s h MET 69 CO 0.04 0.71 -0.07 1.88 0.23 0.00 0.00 176.91 179.69 1n3s h TYR 70 N -0.46 1.06 0.08 1.39 0.05 -1.24 -1.01 116.97 116.84 1n3s h TYR 70 Ca -0.00 -0.20 -0.27 0.00 0.05 0.00 0.00 58.73 58.31 1n3s h TYR 70 Cb 0.72 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1n3s h TYR 70 CO 0.14 0.98 -1.40 0.28 -1.05 0.00 0.00 178.16 177.10 1n3s h VAL 71 N 0.87 0.96 0.00 -2.88 2.07 -1.54 -3.37 116.25 112.35 1n3s h VAL 71 Ca 0.15 -2.32 -0.26 0.00 0.82 0.00 0.00 66.70 65.09 1n3s h VAL 71 Cb 0.61 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.88 1n3s h VAL 71 CO 0.04 0.61 -2.05 0.47 0.02 0.00 0.00 177.57 176.67 1n3s n ASP 72 N -4.03 0.29 0.03 0.57 8.00 -0.74 -4.78 116.55 115.89 1n3s n ASP 72 Ca -0.28 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1n3s n ASP 72 Cb 0.84 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1n3s n ASP 72 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1n3s n GLU 73 N -2.74 0.00 0.10 -1.24 0.28 -1.06 -4.71 120.64 111.27 1n3s n GLU 73 Ca -0.22 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1n3s n GLU 73 Cb 0.99 -0.31 0.45 0.00 1.43 0.00 0.00 31.44 34.00 1n3s n GLU 73 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1n3s n ILE 74 N -3.13 0.84 -1.54 3.84 -5.35 -0.41 -2.88 119.36 110.73 1n3s n ILE 74 Ca 0.00 0.20 0.07 0.00 -0.27 0.00 0.00 62.75 62.75 1n3s n ILE 74 Cb 0.00 -1.09 0.18 0.00 -1.74 0.00 0.00 39.64 36.99 1n3s n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n3s n PHE 75 N -2.08 0.00 0.30 4.28 3.72 -1.26 -3.52 117.46 118.90 1n3s n PHE 75 Ca 0.03 -1.30 0.14 0.00 -0.05 0.00 0.00 57.45 56.26 1n3s n PHE 75 Cb 0.23 -0.22 0.64 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.75 0.00 0.21 4.37 4.64 -1.48 -2.55 113.55 119.49 1n3s h SER 76 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1n3s h SER 76 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1n3s h SER 76 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1n3s n GLY 77 N -0.54 -1.10 0.06 -0.77 0.00 -0.01 -3.13 105.19 99.70 1n3s n GLY 77 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1n3s n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3s n LEU 78 N -1.11 0.58 -4.31 0.99 4.77 -0.96 -4.66 117.00 112.30 1n3s n LEU 78 Ca 0.20 0.42 -0.36 0.00 -0.03 0.00 0.00 56.01 56.24 1n3s n LEU 78 Cb 0.16 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 1n3s n LEU 78 CO 0.20 -0.08 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.23 1n3s s ASP 79 N -3.98 4.82 0.00 -1.43 2.15 -1.18 -4.99 116.67 112.05 1n3s s ASP 79 Ca 0.10 -0.66 0.12 0.00 0.43 0.00 0.00 52.55 52.54 1n3s s ASP 79 Cb 0.15 -1.81 0.72 0.00 -0.30 0.00 0.00 42.92 41.68 1n3s s ASP 79 CO 0.62 -0.14 1.17 -1.22 -0.17 0.00 0.00 175.17 175.43 1n3s n TYR 80 N 4.81 0.00 0.15 -5.34 4.02 -1.26 -2.04 117.16 117.50 1n3s n TYR 80 Ca -0.16 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.78 1n3s n TYR 80 Cb 0.48 0.00 0.05 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 2.78 0.74 -0.01 -0.72 0.00 -1.92 -3.13 119.26 117.01 1n3s h ALA 81 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 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 0.48 -0.01 0.09 0.00 0.00 0.00 179.25 179.81 1n3s n ASN 82 N -3.14 0.89 -4.73 0.00 3.02 -0.86 -4.91 115.26 105.52 1n3s n ASN 82 Ca 0.01 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 52.90 1n3s n ASN 82 Cb 0.69 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.05 2.94 0.50 3.10 5.36 -1.18 -4.96 117.98 121.69 1n3s s PHE 83 Ca 0.40 0.70 -0.23 0.00 -0.96 0.00 0.00 56.93 56.84 1n3s s PHE 83 Cb 0.21 -3.98 -0.06 0.00 -0.34 0.00 0.00 43.02 38.84 1n3s s PHE 83 CO 0.36 -3.48 1.37 -1.25 -1.46 0.00 0.00 175.22 170.77 1n3s s PRO 84 N 0.37 3.41 -0.85 10.12 0.04 -1.26 -4.91 135.00 141.91 1n3s s PRO 84 Ca 0.67 2.28 -0.25 0.00 0.04 0.00 0.00 61.00 63.74 1n3s s PRO 84 Cb -0.46 -2.44 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1n3s s PRO 84 CO 0.39 -0.99 1.50 0.15 0.04 0.00 0.00 177.00 178.08 1n3s s LYS 85 N -2.69 3.20 0.10 4.56 1.02 -1.26 -4.92 119.74 119.74 1n3s s LYS 85 Ca 0.67 -0.49 -0.31 0.00 0.02 0.00 0.00 55.97 55.86 1n3s s LYS 85 Cb -0.41 -4.78 -0.08 0.00 -0.52 0.00 0.00 37.83 32.05 1n3s s LYS 85 CO 0.51 -2.40 1.37 0.42 -0.92 0.00 0.00 175.35 174.32 1n3s s ILE 86 N 6.40 3.41 -0.22 2.17 1.01 -1.26 -5.03 121.20 127.68 1n3s s ILE 86 Ca 0.48 1.01 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1n3s s ILE 86 Cb -0.05 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1n3s s ILE 86 CO 0.04 0.08 -0.12 0.42 0.00 0.00 0.00 174.94 175.35 1n3s s THR 87 N 1.15 1.89 -0.16 2.92 -4.23 -1.26 -5.07 115.64 110.88 1n3s s THR 87 Ca 0.64 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.87 1n3s s THR 87 Cb -0.36 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1n3s s THR 87 CO 0.30 0.16 0.02 -0.76 -0.54 0.00 0.00 174.62 173.80 1n3s s LEU 88 N 1.28 3.62 -0.18 4.79 1.43 -1.26 -2.38 118.68 125.97 1n3s s LEU 88 Ca -0.03 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1n3s s LEU 88 Cb -0.17 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1n3s s LEU 88 CO -0.08 0.20 -0.00 -0.63 0.23 0.00 0.00 176.35 176.07 1n3s s ILE 89 N 0.22 4.06 0.11 -0.59 1.01 -0.61 -4.96 121.20 120.44 1n3s s ILE 89 Ca 0.02 -0.29 -0.36 0.00 0.00 0.00 0.00 60.65 60.03 1n3s s ILE 89 Cb -0.13 -2.82 -0.16 0.00 0.01 0.00 0.00 42.46 39.36 1n3s s ILE 89 CO 0.01 0.45 1.30 1.21 0.00 0.00 0.00 174.94 177.92 1n3s n GLU 90 N 3.93 1.18 -2.36 2.79 2.13 -1.26 -1.74 120.64 125.32 1n3s n GLU 90 Ca -0.17 0.43 -0.43 0.00 0.66 0.00 0.00 57.16 57.65 1n3s n GLU 90 Cb 0.52 -2.04 -0.00 0.00 0.27 0.00 0.00 31.44 30.19 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 2.42 4.65 0.20 4.31 5.15 -0.69 -4.60 115.26 126.69 1n3s n ASN 91 Ca 0.17 -2.90 0.12 0.00 -0.60 0.00 0.00 54.58 51.38 1n3s n ASN 91 Cb 0.21 -1.73 0.16 0.00 -0.53 0.00 0.00 39.78 37.89 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 7.19 0.00 0.00 1.20 1.57 -1.90 -3.23 116.57 121.40 1n3s h LYS 92 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1n3s h LYS 92 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1n3s h LYS 92 CO 1.57 0.00 -0.25 -1.33 -0.57 0.00 0.00 179.45 178.87 1n3s n MET 93 N -3.02 0.06 -3.03 3.15 2.81 -1.26 -4.95 117.12 110.87 1n3s n MET 93 Ca 0.04 0.03 -0.21 0.00 -1.81 0.00 0.00 57.70 55.75 1n3s n MET 93 Cb 0.53 -1.55 0.01 0.00 -0.71 0.00 0.00 33.22 31.50 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 -1.65 -3.68 -1.52 0.03 4.01 -1.22 -4.86 118.16 109.27 1n3s n LYS 94 Ca 0.06 0.69 -0.45 0.00 -0.51 0.00 0.00 58.31 58.10 1n3s n LYS 94 Cb 0.36 -5.44 -0.05 0.00 -0.51 0.00 0.00 35.03 29.39 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 -4.07 0.18 -1.32 -0.18 0.31 -1.26 -4.83 118.33 107.16 1n3s n VAL 95 Ca -0.09 -0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 1n3s n VAL 95 Cb 0.59 -2.12 0.20 0.00 -0.91 0.00 0.00 33.84 31.60 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 11.70 3.20 -4.56 4.52 5.75 -1.26 -4.46 116.55 131.44 1n3s n ASP 96 Ca 0.38 -3.65 -0.25 0.00 -0.01 0.00 0.00 54.79 51.27 1n3s n ASP 96 Cb 0.35 -0.72 -0.09 0.00 -1.03 0.00 0.00 41.12 39.63 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 -3.24 1.91 0.07 0.11 0.41 -1.26 -4.99 118.70 111.72 1n3s s GLU 97 Ca 0.50 -1.78 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 1n3s s GLU 97 Cb 0.44 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.90 1n3s s GLU 97 CO 0.06 0.22 0.21 0.00 -0.49 0.00 0.00 175.26 175.25 1n3s s MET 98 N -3.62 3.43 -0.12 1.61 0.23 -1.26 -3.96 119.30 115.60 1n3s s MET 98 Ca 0.32 -0.45 0.02 0.00 -1.03 0.00 0.00 55.69 54.55 1n3s s MET 98 Cb -0.01 -3.03 -0.01 0.00 -1.53 0.00 0.00 34.83 30.25 1n3s s MET 98 CO 0.17 0.60 -0.18 0.08 -2.03 0.00 0.00 175.02 173.67 1n3s s VAL 99 N -1.53 2.56 -0.11 5.16 1.01 -0.66 -5.01 120.40 121.83 1n3s s VAL 99 Ca 0.35 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1n3s s VAL 99 Cb -0.13 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1n3s s VAL 99 CO 0.28 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.88 1n3s s THR 100 N 0.45 1.49 -0.38 3.92 2.01 -1.26 -1.52 115.64 120.35 1n3s s THR 100 Ca -0.13 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 1n3s s THR 100 Cb -0.17 -1.37 0.10 0.00 0.01 0.00 0.00 72.50 71.08 1n3s s THR 100 CO 0.06 0.44 0.15 -0.69 -0.69 0.00 0.00 174.62 173.88 1n3s s VAL 101 N 1.06 2.97 0.50 3.82 1.01 0.21 -5.00 120.40 124.97 1n3s s VAL 101 Ca -0.05 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 59.85 1n3s s VAL 101 Cb -0.15 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.20 1n3s s VAL 101 CO -0.03 -0.63 0.70 0.00 0.00 0.00 0.00 175.10 175.14 1n3s s ARG 102 N 1.08 2.72 -1.54 2.72 1.70 -1.26 -1.63 118.95 122.73 1n3s s ARG 102 Ca 0.08 -0.82 -0.12 0.00 -0.47 0.00 0.00 55.73 54.41 1n3s s ARG 102 Cb -0.22 -2.57 0.09 0.00 -0.57 0.00 0.00 34.95 31.68 1n3s s ARG 102 CO -0.05 -0.51 0.82 -0.25 -1.08 0.00 0.00 175.30 174.23 1n3s n ASP 103 N -2.17 -3.34 -4.69 -2.89 8.00 -1.11 -4.94 116.55 105.41 1n3s n ASP 103 Ca 0.06 -0.88 -0.42 0.00 0.71 0.00 0.00 54.79 54.25 1n3s n ASP 103 Cb 0.59 -3.45 -0.03 0.00 -0.02 0.00 0.00 41.12 38.21 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 -3.43 4.26 -0.02 0.53 1.01 0.02 -4.78 121.20 118.80 1n3s s ILE 104 Ca 0.52 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 1n3s s ILE 104 Cb -0.27 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 1n3s s ILE 104 CO 0.87 0.01 1.83 -0.89 0.00 0.00 0.00 174.94 176.75 1n3s s THR 105 N 2.13 3.28 -0.18 2.92 2.01 -1.26 -0.73 115.64 123.80 1n3s s THR 105 Ca 0.56 0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.91 1n3s s THR 105 Cb -0.25 -3.22 0.03 0.00 0.01 0.00 0.00 72.50 69.07 1n3s s THR 105 CO 0.22 -0.04 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.76 1n3s s LEU 106 N 4.40 2.16 -0.29 4.42 0.20 -0.72 -4.74 118.68 124.11 1n3s s LEU 106 Ca 0.82 -0.75 0.01 0.00 0.69 0.00 0.00 54.13 54.90 1n3s s LEU 106 Cb -0.38 -1.30 0.06 0.00 -0.43 0.00 0.00 46.19 44.14 1n3s s LEU 106 CO 0.36 -0.09 -0.04 0.42 -0.29 0.00 0.00 176.35 176.71 1n3s s THR 107 N 1.37 2.51 0.19 3.68 -4.23 -1.26 -1.27 115.64 116.63 1n3s s THR 107 Ca 0.02 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 1n3s s THR 107 Cb -0.15 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1n3s s THR 107 CO -0.10 -0.16 0.03 -0.24 -0.54 0.00 0.00 174.62 173.61 1n3s n SER 108 N 4.48 1.90 -3.71 3.99 2.88 -0.91 -3.97 113.62 118.28 1n3s n SER 108 Ca -0.11 -1.90 -0.14 0.00 -1.33 0.00 0.00 58.87 55.39 1n3s n SER 108 Cb 0.42 0.27 -0.14 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.93 -0.17 0.14 2.46 2.01 -1.25 -1.78 115.64 115.11 1n3s s THR 109 Ca 0.04 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1n3s s THR 109 Cb 0.00 -0.33 -0.08 0.00 0.01 0.00 0.00 72.50 72.11 1n3s s THR 109 CO 0.03 0.10 1.28 0.00 -0.69 0.00 0.00 174.62 175.33 1n3s h GLU 111 N 6.09 0.00 0.00 0.00 4.11 -1.27 -0.03 114.58 123.48 1n3s h GLU 111 Ca -0.43 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.82 1n3s h GLU 111 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1n3s h GLU 111 CO 0.80 0.00 -0.83 0.45 0.07 0.00 0.00 179.01 179.50 1n3s h HIS 112 N 0.00 0.00 0.00 2.06 3.86 -1.91 -3.40 115.15 115.77 1n3s h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n3s h HIS 112 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1n3s h HIS 112 CO 0.00 0.83 0.00 0.43 0.86 0.00 0.00 177.93 180.05 1n3s n SER 113 N -3.54 0.00 -3.71 2.45 7.64 -1.19 -5.03 113.62 110.23 1n3s n SER 113 Ca -0.00 -1.00 -0.26 0.00 1.01 0.00 0.00 58.87 58.61 1n3s n SER 113 Cb 0.80 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 64.06 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 0.00 -2.66 -4.86 1.43 3.01 -0.03 -5.00 117.46 109.35 1n3s n PHE 114 Ca 0.00 0.98 -0.32 0.00 1.01 0.00 0.00 57.45 59.12 1n3s n PHE 114 Cb 0.36 -4.65 -0.13 0.00 -0.01 0.00 0.00 39.48 35.04 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 -3.32 2.84 0.09 -4.37 1.01 -1.24 -4.86 120.40 110.56 1n3s s VAL 115 Ca 0.60 -0.95 -0.35 0.00 0.00 0.00 0.00 61.98 61.28 1n3s s VAL 115 Cb -0.28 -2.13 -0.18 0.00 0.00 0.00 0.00 36.38 33.79 1n3s s VAL 115 CO 0.77 0.49 1.02 0.41 0.00 0.00 0.00 175.10 177.79 1n3s n THR 116 N 2.03 0.62 -4.08 3.92 -1.04 -1.26 -0.78 114.28 113.68 1n3s n THR 116 Ca -0.17 -0.16 -0.32 0.00 -2.04 0.00 0.00 64.05 61.37 1n3s n THR 116 Cb 0.52 -0.31 -0.16 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.19 1.88 -0.28 12.58 1.01 -0.74 -1.80 121.20 133.67 1n3s s ILE 117 Ca 0.80 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 1n3s s ILE 117 Cb -1.06 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1n3s s ILE 117 CO 0.54 0.51 0.12 -0.62 0.00 0.00 0.00 174.94 175.49 1n3s s ASP 118 N 1.36 5.44 0.22 3.58 2.15 -0.16 -2.14 116.67 127.12 1n3s s ASP 118 Ca 0.05 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.70 1n3s s ASP 118 Cb -0.13 -1.99 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 1n3s s ASP 118 CO -0.12 -0.10 0.18 -0.83 -0.17 0.00 0.00 175.17 174.12 1n3s s GLY 119 N 1.64 1.46 -0.03 2.66 0.00 -0.40 -0.57 107.32 112.08 1n3s s GLY 119 Ca 0.06 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.12 1n3s s GLY 119 CO 0.06 -1.34 -0.06 0.54 0.00 0.00 0.00 173.10 172.30 1n3s s LYS 120 N -4.06 0.79 0.02 2.90 3.01 0.11 -1.75 119.74 120.75 1n3s s LYS 120 Ca 0.38 -0.18 0.06 0.00 -1.01 0.00 0.00 55.97 55.22 1n3s s LYS 120 Cb 0.06 -0.77 -0.03 0.00 -1.01 0.00 0.00 37.83 36.08 1n3s s LYS 120 CO 0.14 0.02 -0.17 0.00 0.51 0.00 0.00 175.35 175.84 1n3s s ALA 121 N 0.48 2.61 -0.16 5.17 0.00 0.09 -0.55 121.76 129.40 1n3s s ALA 121 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1n3s s ALA 121 Cb -0.10 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.25 1n3s s ALA 121 CO 0.00 0.57 -0.15 0.99 0.00 0.00 0.00 175.76 177.17 1n3s s THR 122 N -0.87 1.65 -0.14 0.00 2.01 0.71 -0.80 115.64 118.20 1n3s s THR 122 Ca 0.14 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1n3s s THR 122 Cb -0.11 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1n3s s THR 122 CO 0.04 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.52 1n3s s VAL 123 N 1.45 2.02 0.02 3.82 1.01 -0.65 -0.97 120.40 127.10 1n3s s VAL 123 Ca 0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1n3s s VAL 123 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1n3s s VAL 123 CO -0.11 0.54 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 1n3s s ALA 124 N 0.86 1.11 0.09 5.51 0.00 -0.43 -0.62 121.76 128.28 1n3s s ALA 124 Ca -0.06 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 1n3s s ALA 124 Cb -0.15 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1n3s s ALA 124 CO -0.03 0.23 0.35 1.52 0.00 0.00 0.00 175.76 177.84 1n3s s TYR 125 N -0.62 -0.14 -0.31 0.00 1.13 -0.57 -0.21 117.35 116.63 1n3s s TYR 125 Ca 0.03 -0.11 -0.04 0.00 -1.41 0.00 0.00 57.07 55.53 1n3s s TYR 125 Cb -0.07 0.17 0.04 0.00 -1.10 0.00 0.00 41.96 41.00 1n3s s TYR 125 CO 0.00 -0.61 0.05 0.42 -2.51 0.00 0.00 175.55 172.90 1n3s s ILE 126 N -3.32 3.45 0.21 -3.49 1.01 -0.90 -1.65 121.20 116.51 1n3s s ILE 126 Ca 0.00 -1.18 -0.32 0.00 0.00 0.00 0.00 60.65 59.15 1n3s s ILE 126 Cb 0.01 -2.94 -0.13 0.00 0.01 0.00 0.00 42.46 39.41 1n3s s ILE 126 CO -0.08 -0.11 1.49 -2.65 0.00 0.00 0.00 174.94 173.59 1n3s n PRO 127 N 4.74 2.13 0.00 2.79 -0.02 -1.25 -4.84 135.00 138.54 1n3s n PRO 127 Ca -0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1n3s n PRO 127 Cb 0.45 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1n3s n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3s n LYS 128 N 2.63 0.00 0.00 -0.52 4.81 -1.26 -4.59 118.16 119.23 1n3s n LYS 128 Ca 0.14 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.64 1n3s n LYS 128 Cb 0.31 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.36 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 -0.05 1.53 -3.81 3.14 8.00 -1.26 -4.83 116.55 119.27 1n3s n ASP 129 Ca 0.00 -1.26 -0.12 0.00 0.71 0.00 0.00 54.79 54.11 1n3s n ASP 129 Cb 0.00 0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.39 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 -1.59 -0.19 -0.24 -2.24 1.04 -1.26 -1.71 113.70 107.52 1n3s s SER 130 Ca 0.12 0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.84 1n3s s SER 130 Cb 0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1n3s s SER 130 CO 0.31 -0.13 -0.04 -0.69 0.98 0.00 0.00 173.24 173.68 1n3s s VAL 131 N -0.14 3.27 0.40 5.02 1.01 -0.71 -4.72 120.40 124.54 1n3s s VAL 131 Ca -0.02 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1n3s s VAL 131 Cb -0.02 -2.56 -0.11 0.00 0.00 0.00 0.00 36.38 33.69 1n3s s VAL 131 CO 0.01 0.32 0.95 -0.51 0.00 0.00 0.00 175.10 175.86 1n3s s ILE 132 N 1.43 4.33 0.23 2.22 2.07 -1.26 -1.58 121.20 128.65 1n3s s ILE 132 Ca 0.04 1.57 -0.30 0.00 -1.41 0.00 0.00 60.65 60.55 1n3s s ILE 132 Cb -0.15 -3.71 -0.10 0.00 0.13 0.00 0.00 42.46 38.63 1n3s s ILE 132 CO -0.03 -0.20 1.48 -0.83 -1.91 0.00 0.00 174.94 173.45 1n3s s GLY 133 N -2.03 2.12 0.18 1.50 0.00 -1.00 -4.94 107.32 103.15 1n3s s GLY 133 Ca 0.59 1.36 -0.18 0.00 0.00 0.00 0.00 44.72 46.48 1n3s s GLY 133 CO 0.16 2.39 1.62 1.41 0.00 0.00 0.00 173.10 178.68 1n3s h LEU 134 N 5.47 -0.75 -1.52 0.66 3.38 -1.94 -1.83 115.31 118.77 1n3s h LEU 134 Ca -0.45 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1n3s h LEU 134 Cb 1.21 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1n3s h LEU 134 CO 0.81 -0.24 0.00 0.77 0.09 0.00 0.00 178.44 179.87 1n3s h SER 135 N -0.11 0.00 0.79 -0.43 4.64 -2.01 -2.30 113.55 114.12 1n3s h SER 135 Ca 0.22 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1n3s h SER 135 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1n3s h SER 135 CO -0.55 0.00 -0.27 0.11 -0.87 0.00 0.00 176.83 175.25 1n3s h LYS 136 N 0.00 0.00 -0.27 4.77 1.79 -1.71 -1.70 116.57 119.44 1n3s h LYS 136 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1n3s h LYS 136 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1n3s h LYS 136 CO 0.00 0.27 -0.23 0.82 -1.08 0.00 0.00 179.45 179.23 1n3s h ILE 137 N 0.00 1.31 -0.53 1.86 2.04 -1.44 -1.68 117.51 119.06 1n3s h ILE 137 Ca -0.00 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.39 1n3s h ILE 137 Cb 0.74 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1n3s h ILE 137 CO 0.04 0.44 0.01 0.78 0.00 0.00 0.00 178.15 179.42 1n3s h ASN 138 N 0.38 0.90 0.15 1.72 -0.26 -1.57 -2.55 115.58 114.35 1n3s h ASN 138 Ca 0.05 -0.30 -0.08 0.00 -0.56 0.00 0.00 56.30 55.41 1n3s h ASN 138 Cb 0.79 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 1n3s h ASN 138 CO 0.06 0.98 -0.28 0.03 -1.06 0.00 0.00 177.43 177.16 1n3s h ARG 139 N 0.80 0.22 -0.08 0.81 3.08 -1.25 -1.13 114.38 116.84 1n3s h ARG 139 Ca 0.15 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 1n3s h ARG 139 Cb 0.51 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1n3s h ARG 139 CO 0.02 0.49 -0.85 0.82 -1.07 0.00 0.00 179.97 179.39 1n3s h ILE 140 N 0.20 1.33 -0.09 2.04 2.04 -1.18 0.60 117.51 122.45 1n3s h ILE 140 Ca 0.03 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.73 1n3s h ILE 140 Cb 0.61 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1n3s h ILE 140 CO 0.04 0.66 0.04 0.58 0.00 0.00 0.00 178.15 179.47 1n3s h VAL 141 N 0.39 1.13 -0.17 1.67 2.07 -1.13 -2.44 116.25 117.78 1n3s h VAL 141 Ca -0.07 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1n3s h VAL 141 Cb 1.47 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1n3s h VAL 141 CO 0.16 0.12 -0.31 1.56 0.02 0.00 0.00 177.57 179.12 1n3s h GLN 142 N -0.01 0.33 0.02 1.57 1.08 -1.20 -0.80 115.11 116.10 1n3s h GLN 142 Ca 0.03 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1n3s h GLN 142 Cb 0.15 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1n3s h GLN 142 CO -0.00 0.61 -0.03 0.35 -0.95 0.00 0.00 178.83 178.81 1n3s h PHE 143 N 0.29 -0.08 0.00 2.96 3.57 -0.65 -0.21 116.94 122.82 1n3s h PHE 143 Ca 0.04 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1n3s h PHE 143 Cb 0.70 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1n3s h PHE 143 CO 0.02 -0.05 -0.14 0.74 -2.23 0.00 0.00 178.31 176.64 1n3s h PHE 144 N -0.07 0.00 -0.05 0.41 0.04 -1.33 -3.21 116.94 112.73 1n3s h PHE 144 Ca 0.01 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.54 1n3s h PHE 144 Cb 0.08 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.24 1n3s h PHE 144 CO -0.10 0.14 -0.92 0.00 -0.60 0.00 0.00 178.31 176.84 1n3s h ALA 145 N 1.86 0.27 0.00 2.45 0.00 -0.57 -3.33 119.26 119.94 1n3s h ALA 145 Ca -0.00 -0.66 -0.53 0.00 0.00 0.00 0.00 54.91 53.72 1n3s h ALA 145 Cb 0.87 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.69 1n3s h ALA 145 CO 0.02 0.72 3.05 1.04 0.00 0.00 0.00 179.25 184.08 1n3s n GLN 146 N -3.85 2.64 -3.62 0.00 1.13 -0.14 -4.23 117.38 109.30 1n3s n GLN 146 Ca -0.08 -1.83 -0.11 0.00 -1.94 0.00 0.00 57.00 53.04 1n3s n GLN 146 Cb 0.82 -2.68 -0.04 0.00 0.11 0.00 0.00 30.24 28.45 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 3.13 1.10 -0.49 -1.09 0.52 -1.23 -0.83 118.95 120.05 1n3s s ARG 147 Ca 0.52 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.75 1n3s s ARG 147 Cb 0.13 0.48 0.01 0.00 0.52 0.00 0.00 34.95 36.09 1n3s s ARG 147 CO -0.03 -0.44 1.48 -2.14 0.02 0.00 0.00 175.30 174.19 1n3s s PRO 148 N -3.80 3.35 0.37 3.54 0.02 -1.26 -3.93 135.00 133.29 1n3s s PRO 148 Ca 0.03 0.72 0.08 0.00 0.02 0.00 0.00 61.00 61.84 1n3s s PRO 148 Cb 0.02 -4.12 -0.03 0.00 0.02 0.00 0.00 34.50 30.39 1n3s s PRO 148 CO -0.12 -1.86 0.29 -0.65 -0.33 0.00 0.00 177.00 174.33 1n3s s GLN 149 N 5.44 2.54 -0.16 5.54 -1.52 0.80 -4.51 119.66 127.80 1n3s s GLN 149 Ca 0.59 -1.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.52 1n3s s GLN 149 Cb -0.13 -2.34 0.03 0.00 -0.22 0.00 0.00 33.01 30.35 1n3s s GLN 149 CO 0.28 -0.03 -0.09 0.08 -0.25 0.00 0.00 175.29 175.28 1n3s s VAL 150 N -2.42 1.32 0.31 1.09 1.01 -1.26 -0.95 120.40 119.50 1n3s s VAL 150 Ca 0.43 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1n3s s VAL 150 Cb -0.03 -1.37 0.31 0.00 0.00 0.00 0.00 36.38 35.29 1n3s s VAL 150 CO 0.26 0.28 1.75 -0.61 0.00 0.00 0.00 175.10 176.79 1n3s h GLN 151 N 8.09 0.65 -0.46 2.72 4.15 -1.99 -1.27 115.11 127.00 1n3s h GLN 151 Ca -0.30 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.01 1n3s h GLN 151 Cb 1.12 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 1n3s h GLN 151 CO 0.45 0.43 -0.01 0.93 -1.93 0.00 0.00 178.83 178.70 1n3s h GLU 152 N 0.67 0.77 -0.03 1.69 3.07 -1.97 -2.41 114.58 116.38 1n3s h GLU 152 Ca 0.61 -0.21 -0.17 0.00 -0.50 0.00 0.00 59.36 59.09 1n3s h GLU 152 Cb 1.06 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1n3s h GLU 152 CO -0.43 0.79 -0.65 -0.09 -1.40 0.00 0.00 179.01 177.23 1n3s h ARG 153 N 0.72 0.49 -0.85 2.33 2.43 -1.81 -3.12 114.38 114.57 1n3s h ARG 153 Ca 0.14 -0.49 0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1n3s h ARG 153 Cb 0.46 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1n3s h ARG 153 CO 0.02 1.13 0.55 1.25 -1.51 0.00 0.00 179.97 181.41 1n3s h LEU 154 N 0.04 0.66 -0.23 3.80 5.85 -1.13 0.17 115.31 124.47 1n3s h LEU 154 Ca -0.07 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1n3s h LEU 154 Cb 1.33 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1n3s h LEU 154 CO 0.13 0.36 -0.17 0.74 -0.34 0.00 0.00 178.44 179.16 1n3s h THR 155 N 0.72 1.31 -0.44 1.05 2.02 -1.47 -2.66 112.91 113.43 1n3s h THR 155 Ca 0.41 -1.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.20 1n3s h THR 155 Cb 0.59 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1n3s h THR 155 CO -0.17 0.40 -0.12 1.56 0.37 0.00 0.00 175.52 177.56 1n3s h GLN 156 N 0.22 0.80 -0.71 6.66 1.08 -1.23 -1.77 115.11 120.17 1n3s h GLN 156 Ca 0.04 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 1n3s h GLN 156 Cb 0.70 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1n3s h GLN 156 CO 0.05 0.88 0.39 1.96 -0.95 0.00 0.00 178.83 181.16 1n3s h GLN 157 N 0.72 0.99 -0.18 1.46 4.20 -0.62 -0.98 115.11 120.70 1n3s h GLN 157 Ca 0.12 -0.11 -0.17 0.00 0.06 0.00 0.00 58.65 58.55 1n3s h GLN 157 Cb 0.61 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1n3s h GLN 157 CO 0.04 0.73 -0.60 0.82 -0.67 0.00 0.00 178.83 179.16 1n3s h ILE 158 N 0.97 1.32 0.39 2.54 2.04 -1.34 -1.62 117.51 121.81 1n3s h ILE 158 Ca 0.25 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1n3s h ILE 158 Cb 0.03 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1n3s h ILE 158 CO -0.04 0.58 -0.19 0.25 0.00 0.00 0.00 178.15 178.75 1n3s h LEU 159 N 0.45 -0.45 -0.99 1.44 5.85 -0.96 -1.49 115.31 119.16 1n3s h LEU 159 Ca -0.00 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1n3s h LEU 159 Cb 1.16 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1n3s h LEU 159 CO 0.11 -0.19 -0.18 0.40 -0.34 0.00 0.00 178.44 178.25 1n3s h ILE 160 N -0.69 1.25 -0.18 4.05 1.08 -1.25 0.50 117.51 122.27 1n3s h ILE 160 Ca -0.05 -1.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.27 1n3s h ILE 160 Cb 0.49 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1n3s h ILE 160 CO 0.09 0.37 0.08 0.00 -0.69 0.00 0.00 178.15 177.99 1n3s h ALA 161 N 1.34 0.23 0.00 1.87 0.00 -1.26 -1.11 119.26 120.33 1n3s h ALA 161 Ca 0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1n3s h ALA 161 Cb 0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n3s h ALA 161 CO 0.04 -0.19 -0.62 -0.07 0.00 0.00 0.00 179.25 178.41 1n3s h LEU 162 N 0.14 0.00 -0.57 0.00 3.38 -1.04 -2.69 115.31 114.52 1n3s h LEU 162 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1n3s h LEU 162 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1n3s h LEU 162 CO -0.01 0.62 -0.27 1.56 0.09 0.00 0.00 178.44 180.44 1n3s h GLN 163 N 0.00 0.86 -0.15 1.13 4.20 -0.69 -2.42 115.11 118.04 1n3s h GLN 163 Ca -0.01 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 1n3s h GLN 163 Cb 1.12 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1n3s h GLN 163 CO 0.08 1.02 -0.06 1.15 -0.67 0.00 0.00 178.83 180.35 1n3s h THR 164 N 0.73 1.31 -0.03 -0.54 2.02 -1.10 -1.50 112.91 113.80 1n3s h THR 164 Ca 0.09 -1.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.08 1n3s h THR 164 Cb 0.81 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1n3s h THR 164 CO 0.07 0.31 -0.54 -0.07 0.37 0.00 0.00 175.52 175.67 1n3s h LEU 165 N -0.02 0.10 0.00 2.58 3.38 -1.52 -3.19 115.31 116.64 1n3s h LEU 165 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1n3s h LEU 165 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1n3s h LEU 165 CO 0.02 0.62 -1.17 0.18 0.09 0.00 0.00 178.44 178.18 1n3s n LEU 166 N -3.91 0.58 -0.48 1.67 4.77 -0.91 -4.98 117.00 113.73 1n3s n LEU 166 Ca -0.02 0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1n3s n LEU 166 Cb 0.56 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1n3s n LEU 166 CO 0.42 -0.03 -0.06 0.61 -1.33 0.00 0.00 177.39 177.00 1n3s n GLY 167 N 1.30 0.85 3.32 -0.72 0.00 -0.58 -4.48 105.19 104.88 1n3s n GLY 167 Ca 0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.17 1.69 -0.47 2.61 2.01 -1.11 -4.98 115.64 113.22 1n3s s THR 168 Ca 0.00 -2.04 0.23 0.00 0.31 0.00 0.00 61.69 60.19 1n3s s THR 168 Cb 0.00 -1.90 -0.06 0.00 0.01 0.00 0.00 72.50 70.55 1n3s s THR 168 CO 0.00 -0.48 1.06 0.59 -0.69 0.00 0.00 174.62 175.10 1n3s n ASN 169 N -0.02 0.65 -3.64 3.53 3.02 -1.26 -4.47 115.26 113.06 1n3s n ASN 169 Ca -0.11 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 1n3s n ASN 169 Cb 0.59 0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 40.36 1n3s n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3s n ASN 170 N -2.21 3.24 -4.01 6.41 3.02 -1.26 -2.39 115.26 118.06 1n3s n ASN 170 Ca 0.01 -2.73 -0.12 0.00 -0.03 0.00 0.00 54.58 51.71 1n3s n ASN 170 Cb 0.48 -1.34 -0.12 0.00 -0.61 0.00 0.00 39.78 38.19 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 4.18 0.35 -0.03 2.41 1.01 -1.25 -2.11 120.40 124.96 1n3s s VAL 171 Ca 0.53 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1n3s s VAL 171 Cb 0.14 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1n3s s VAL 171 CO 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 175.10 174.77 1n3s s ALA 172 N -1.22 0.36 -0.05 5.51 0.00 0.71 -1.37 121.76 125.71 1n3s s ALA 172 Ca -0.10 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1n3s s ALA 172 Cb -0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1n3s s ALA 172 CO -0.00 -0.14 -0.23 0.08 0.00 0.00 0.00 175.76 175.47 1n3s s VAL 173 N 1.19 1.89 -0.04 0.00 1.01 0.17 -1.31 120.40 123.31 1n3s s VAL 173 Ca -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1n3s s VAL 173 Cb -0.13 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1n3s s VAL 173 CO -0.02 0.53 0.06 -0.55 0.00 0.00 0.00 175.10 175.12 1n3s s SER 174 N -0.22 0.64 -0.17 3.32 0.15 -0.15 0.12 113.70 117.39 1n3s s SER 174 Ca -0.01 0.10 -0.00 0.00 0.70 0.00 0.00 55.95 56.75 1n3s s SER 174 Cb -0.12 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1n3s s SER 174 CO 0.02 -0.20 -0.15 -0.63 1.20 0.00 0.00 173.24 173.48 1n3s s ILE 175 N 1.73 2.61 -0.20 6.45 1.01 -0.35 -0.21 121.20 132.24 1n3s s ILE 175 Ca -0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1n3s s ILE 175 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1n3s s ILE 175 CO -0.03 0.51 0.07 -0.62 0.00 0.00 0.00 174.94 174.86 1n3s s ASP 176 N 1.05 5.53 0.07 3.58 2.15 0.29 -1.42 116.67 127.92 1n3s s ASP 176 Ca -0.01 0.00 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 1n3s s ASP 176 Cb -0.15 -1.96 0.01 0.00 -0.30 0.00 0.00 42.92 40.53 1n3s s ASP 176 CO -0.04 0.11 0.28 0.00 -0.17 0.00 0.00 175.17 175.35 1n3s s ALA 177 N 0.77 -0.57 -0.15 3.66 0.00 0.81 0.06 121.76 126.34 1n3s s ALA 177 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1n3s s ALA 177 Cb -0.13 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1n3s s ALA 177 CO 0.02 -0.48 -0.18 0.08 0.00 0.00 0.00 175.76 175.21 1n3s s VAL 178 N -3.14 2.44 -0.26 0.00 1.01 0.26 0.03 120.40 120.75 1n3s s VAL 178 Ca -0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 1n3s s VAL 178 Cb 0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1n3s s VAL 178 CO -0.07 0.53 0.13 -1.00 0.00 0.00 0.00 175.10 174.69 1n3s s HIS 179 N 0.83 3.19 -1.39 5.22 3.76 -1.26 -0.99 115.29 124.63 1n3s s HIS 179 Ca -0.06 -0.06 0.19 0.00 -0.15 0.00 0.00 55.06 54.98 1n3s s HIS 179 Cb -0.15 -2.29 0.93 0.00 1.11 0.00 0.00 32.58 32.18 1n3s s HIS 179 CO -0.01 -0.18 1.58 0.66 -0.85 0.00 0.00 174.74 175.94 1n3s n TYR 180 N 4.79 0.00 0.59 1.40 4.02 -0.74 -1.45 117.16 125.78 1n3s n TYR 180 Ca -0.15 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.86 1n3s n TYR 180 Cb 0.52 -0.30 0.26 0.00 -0.02 0.00 0.00 39.34 39.80 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 -2.17 1.54 0.13 0.00 0.31 -0.54 -4.34 118.33 113.26 1n3s n VAL 182 Ca 0.04 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 1n3s n VAL 182 Cb 0.44 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.72 -0.40 -0.69 5.55 3.64 -1.34 -2.04 116.57 120.57 1n3s h LYS 183 Ca -0.60 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1n3s h LYS 183 Cb 1.65 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1n3s h LYS 183 CO -0.28 -0.16 0.02 0.00 -2.27 0.00 0.00 179.45 176.76 1n3s n ALA 184 N -2.69 3.64 -3.60 5.00 0.00 -0.71 -3.53 120.51 118.63 1n3s n ALA 184 Ca -0.07 -1.52 -0.05 0.00 0.00 0.00 0.00 53.44 51.80 1n3s n ALA 184 Cb 0.22 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -2.37 0.81 5.04 0.00 3.52 -1.24 -4.98 118.95 119.73 1n3s s ARG 185 Ca 0.42 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 1n3s s ARG 185 Cb 0.32 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 34.04 1n3s s ARG 185 CO 0.12 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 1n3s n GLY 186 N -0.31 0.89 0.00 8.12 0.00 -1.26 -1.89 105.19 110.74 1n3s n GLY 186 Ca -0.07 0.47 0.12 0.00 0.00 0.00 0.00 46.02 46.55 1n3s n GLY 186 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1n3s n ILE 187 N 0.00 0.23 -4.16 -0.61 0.13 -1.26 -4.94 119.36 108.75 1n3s n ILE 187 Ca 0.00 0.05 -0.39 0.00 -1.10 0.00 0.00 62.75 61.30 1n3s n ILE 187 Cb 0.00 -0.61 -0.03 0.00 -0.84 0.00 0.00 39.64 38.16 1n3s n ILE 187 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1n3s n ARG 188 N -1.52 -0.67 -2.95 9.51 1.74 -0.79 -4.91 116.66 117.06 1n3s n ARG 188 Ca 0.06 0.10 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 1n3s n ARG 188 Cb 0.30 -3.06 -0.04 0.00 -1.02 0.00 0.00 32.46 28.64 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 -3.90 6.21 0.36 0.55 -1.08 -0.80 -4.91 116.67 113.11 1n3s s ASP 189 Ca 0.28 -0.97 0.27 0.00 -0.52 0.00 0.00 52.55 51.61 1n3s s ASP 189 Cb -0.15 -2.38 1.04 0.00 -1.46 0.00 0.00 42.92 39.97 1n3s s ASP 189 CO 0.98 -1.26 1.80 0.00 0.52 0.00 0.00 175.17 177.21 1n3s h ALA 190 N 9.36 1.00 0.00 3.66 0.00 -1.88 -3.35 119.26 128.06 1n3s h ALA 190 Ca -0.28 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1n3s h ALA 190 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1n3s h ALA 190 CO 1.12 0.00 -1.68 0.25 0.00 0.00 0.00 179.25 178.94 1n3s n THR 191 N -2.59 0.40 -2.23 0.00 -2.24 -1.26 -5.04 114.28 101.31 1n3s n THR 191 Ca 0.02 -0.39 -0.38 0.00 -2.27 0.00 0.00 64.05 61.03 1n3s n THR 191 Cb 0.30 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 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 -3.93 6.38 0.02 3.42 1.04 -1.25 -5.06 113.70 114.32 1n3s s SER 192 Ca -0.05 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.79 1n3s s SER 192 Cb 0.06 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 1n3s s SER 192 CO 0.49 -0.78 -0.04 0.00 0.98 0.00 0.00 173.24 173.90 1n3s s ALA 193 N -1.41 0.19 -0.12 5.32 0.00 -1.26 -4.83 121.76 119.65 1n3s s ALA 193 Ca 0.59 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 1n3s s ALA 193 Cb -0.32 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1n3s s ALA 193 CO 0.40 -0.12 -0.10 0.99 0.00 0.00 0.00 175.76 176.93 1n3s s THR 194 N -1.33 3.34 -0.18 0.00 2.01 0.10 -4.94 115.64 114.64 1n3s s THR 194 Ca -0.14 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1n3s s THR 194 Cb -0.09 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1n3s s THR 194 CO -0.01 0.53 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.42 1n3s s THR 195 N 0.16 2.65 -0.25 -0.82 2.01 -1.26 -0.14 115.64 117.99 1n3s s THR 195 Ca -0.05 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.21 1n3s s THR 195 Cb -0.15 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.27 1n3s s THR 195 CO 0.04 0.50 -0.12 0.42 -0.69 0.00 0.00 174.62 174.77 1n3s s THR 196 N 1.16 2.26 -0.12 -0.82 -4.23 -0.51 -4.98 115.64 108.40 1n3s s THR 196 Ca 0.01 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1n3s s THR 196 Cb -0.14 -2.24 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 1n3s s THR 196 CO -0.05 0.10 -0.10 0.42 -0.54 0.00 0.00 174.62 174.44 1n3s s THR 197 N 1.17 3.35 -0.27 3.99 -4.23 -1.26 -1.21 115.64 117.17 1n3s s THR 197 Ca -0.05 -0.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1n3s s THR 197 Cb -0.18 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.30 1n3s s THR 197 CO -0.06 0.53 -0.07 -0.44 -0.54 0.00 0.00 174.62 174.04 1n3s s SER 198 N 0.10 4.59 -0.15 3.99 0.01 0.31 -4.99 113.70 117.56 1n3s s SER 198 Ca -0.04 -1.34 -0.07 0.00 1.31 0.00 0.00 55.95 55.81 1n3s s SER 198 Cb -0.14 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1n3s s SER 198 CO 0.04 -0.21 0.08 -0.76 0.41 0.00 0.00 173.24 172.80 1n3s s LEU 199 N 1.16 3.96 0.13 2.44 1.43 -1.26 -0.66 118.68 125.88 1n3s s LEU 199 Ca -0.07 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1n3s s LEU 199 Cb -0.20 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1n3s s LEU 199 CO -0.04 0.26 -0.13 -0.83 0.23 0.00 0.00 176.35 175.84 1n3s s GLY 200 N -0.17 1.11 0.00 -3.19 0.00 -0.47 -4.61 107.32 99.98 1n3s s GLY 200 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1n3s s GLY 200 CO 0.01 -1.43 0.00 0.61 0.00 0.00 0.00 173.10 172.30 1n3s n GLY 201 N 0.34 3.88 0.25 0.20 0.00 -1.00 -2.08 105.19 106.76 1n3s n GLY 201 Ca -0.14 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.08 0.99 3.38 -1.91 0.74 115.31 118.43 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 0.17 0.00 0.49 0.09 0.00 0.00 178.44 179.19 1n3s n PHE 203 N -3.55 0.36 0.00 1.13 3.72 -0.89 -3.46 117.46 114.77 1n3s n PHE 203 Ca -0.01 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1n3s n PHE 203 Cb 0.31 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 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 -1.80 0.00 0.25 -1.08 4.81 -0.45 -4.06 118.16 115.84 1n3s n LYS 204 Ca 0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.34 1n3s n LYS 204 Cb 0.32 -0.12 -0.08 0.00 0.02 0.00 0.00 35.03 35.17 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 0.00 -0.76 -3.07 3.14 4.64 -1.12 -3.42 113.55 112.97 1n3s h SER 205 Ca 0.00 0.05 -0.54 0.00 -0.47 0.00 0.00 61.79 60.84 1n3s h SER 205 Cb 0.00 0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1n3s h SER 205 CO 0.00 -0.45 0.67 -0.55 -0.87 0.00 0.00 176.83 175.63 1n3s s SER 206 N -4.60 6.96 0.34 4.97 0.15 -1.23 -4.93 113.70 115.36 1n3s s SER 206 Ca -0.17 2.10 0.05 0.00 0.70 0.00 0.00 55.95 58.63 1n3s s SER 206 Cb 0.05 -2.57 0.60 0.00 -1.71 0.00 0.00 66.02 62.39 1n3s s SER 206 CO 0.63 -0.58 1.85 -0.61 1.20 0.00 0.00 173.24 175.73 1n3s h GLN 207 N 7.08 0.45 0.18 5.44 5.75 -1.81 -3.24 115.11 128.95 1n3s h GLN 207 Ca -0.40 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 1n3s h GLN 207 Cb 1.20 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.69 1n3s h GLN 207 CO 0.85 0.54 -0.15 -0.97 -2.65 0.00 0.00 178.83 176.46 1n3s h ASN 208 N 0.42 -0.39 0.67 -0.69 -1.24 -1.92 -3.17 115.58 109.26 1n3s h ASN 208 Ca 0.09 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1n3s h ASN 208 Cb 0.41 0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1n3s h ASN 208 CO 0.02 -0.20 0.00 0.41 -1.29 0.00 0.00 177.43 176.37 1n3s n THR 209 N -3.18 0.86 -0.13 -3.57 -1.04 -1.26 -3.10 114.28 102.87 1n3s n THR 209 Ca -0.04 0.20 -0.11 0.00 -2.04 0.00 0.00 64.05 62.06 1n3s n THR 209 Cb 0.14 -1.03 -0.02 0.00 -1.82 0.00 0.00 70.33 67.60 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 0.71 -0.01 -2.82 2.43 -1.57 -2.87 114.38 110.25 1n3s h ARG 210 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1n3s h ARG 210 Cb 0.33 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1n3s h ARG 210 CO 0.00 0.86 -0.15 0.72 -1.51 0.00 0.00 179.97 179.89 1n3s n HIS 211 N -4.38 0.00 0.06 2.20 8.25 -1.18 -3.27 115.22 116.90 1n3s n HIS 211 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1n3s n HIS 211 Cb 0.34 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 1.35 0.02 0.00 -0.41 5.08 -1.52 -3.29 114.58 115.79 1n3s h GLU 212 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1n3s h GLU 212 Cb 0.46 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1n3s h GLU 212 CO 0.00 1.01 -0.42 0.35 -1.00 0.00 0.00 179.01 178.95 1n3s h PHE 213 N 0.00 0.00 -0.50 4.33 3.57 -1.64 -3.37 116.94 119.34 1n3s h PHE 213 Ca -0.02 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.63 1n3s h PHE 213 Cb 1.77 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.49 1n3s h PHE 213 CO 0.00 0.00 0.69 -0.07 -2.23 0.00 0.00 178.31 176.71 1n3s h LEU 214 N -0.97 0.00 0.10 0.59 3.38 -1.73 -0.36 115.31 116.31 1n3s h LEU 214 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1n3s h LEU 214 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1n3s h LEU 214 CO 0.00 0.00 -1.13 -0.09 0.09 0.00 0.00 178.44 177.31 1n3s h ARG 215 N 0.00 0.21 -0.23 1.13 2.43 -1.78 -3.33 114.38 112.80 1n3s h ARG 215 Ca 0.24 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1n3s h ARG 215 Cb 1.62 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1n3s h ARG 215 CO -0.00 1.17 0.00 0.00 -1.51 0.00 0.00 179.97 179.63 1n3s n ALA 216 N -2.92 2.50 -2.73 2.80 0.00 -0.21 -4.77 120.51 115.19 1n3s n ALA 216 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1n3s n ALA 216 Cb 0.82 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.77 5.26 -0.06 0.00 1.01 -0.82 -4.73 120.40 119.30 1n3s s VAL 217 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1n3s s VAL 217 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1n3s s VAL 217 CO 0.00 0.35 0.07 -1.14 0.00 0.00 0.00 175.10 174.38 1n3s n ARG 218 N 1.07 -0.42 -4.75 2.72 0.00 -1.26 -5.01 116.66 109.01 1n3s n ARG 218 Ca -0.11 0.78 -0.28 0.00 -0.00 0.00 0.00 57.85 58.25 1n3s n ARG 218 Cb 0.53 -2.02 -0.14 0.00 0.00 0.00 0.00 32.46 30.83 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 -0.97 2.07 -0.25 -0.14 3.76 -1.26 -5.13 115.29 113.38 1n3s s HIS 219 Ca 0.03 -0.39 -0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1n3s s HIS 219 Cb -0.01 -1.23 0.04 0.00 1.11 0.00 0.00 32.58 32.49 1n3s s HIS 219 CO 0.12 0.12 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.46 1n3s s HIS 220 N -0.82 3.11 0.00 1.40 2.46 -1.26 -4.90 115.29 115.28 1n3s s HIS 220 Ca 0.10 -1.82 0.00 0.00 0.47 0.00 0.00 55.06 53.80 1n3s s HIS 220 Cb -0.09 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 30.35 1n3s s HIS 220 CO 0.02 -0.79 0.00 0.09 -2.47 0.00 0.00 174.74 171.59