#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 -4.20 2.46 4.77 -1.26 -4.95 117.00 113.81 1n3s n LEU 3 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1n3s n LEU 3 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1n3s n LEU 3 CO 0.00 0.00 -0.42 -0.55 -1.33 0.00 0.00 177.39 175.09 1n3s s SER 4 N 0.92 1.59 0.01 -1.43 0.15 -1.26 -5.08 113.70 108.61 1n3s s SER 4 Ca 0.00 -0.88 -0.24 0.00 0.70 0.00 0.00 55.95 55.53 1n3s s SER 4 Cb 0.00 -0.00 -0.18 0.00 -1.71 0.00 0.00 66.02 64.13 1n3s s SER 4 CO 0.00 -0.28 1.37 0.11 1.20 0.00 0.00 173.24 175.65 1n3s h LYS 5 N 3.32 0.09 -0.07 5.44 1.57 -2.00 -2.26 116.57 122.67 1n3s h LYS 5 Ca -0.37 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 1n3s h LYS 5 Cb 1.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1n3s h LYS 5 CO 0.56 0.46 -0.45 0.93 -0.57 0.00 0.00 179.45 180.38 1n3s h GLU 6 N -0.28 0.16 -0.31 3.15 3.07 -1.97 -2.73 114.58 115.68 1n3s h GLU 6 Ca 0.01 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 1n3s h GLU 6 Cb 0.43 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1n3s h GLU 6 CO 0.01 0.59 -0.29 0.00 -1.40 0.00 0.00 179.01 177.91 1n3s h ALA 7 N 1.40 0.92 -0.15 3.43 0.00 -1.91 -2.88 119.26 120.08 1n3s h ALA 7 Ca 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1n3s h ALA 7 Cb 0.86 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1n3s h ALA 7 CO 0.07 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.79 1n3s h ALA 8 N 1.13 0.22 -0.70 0.00 0.00 -1.19 -1.65 119.26 117.07 1n3s h ALA 8 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1n3s h ALA 8 Cb 0.78 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1n3s h ALA 8 CO 0.06 0.10 0.40 -0.07 0.00 0.00 0.00 179.25 179.74 1n3s h LEU 9 N -0.00 0.85 0.13 0.00 3.38 -1.49 -1.33 115.31 116.85 1n3s h LEU 9 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1n3s h LEU 9 Cb 0.68 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1n3s h LEU 9 CO 0.04 0.68 -0.06 0.58 0.09 0.00 0.00 178.44 179.76 1n3s h VAL 10 N 0.97 1.04 -0.32 1.22 2.07 -1.54 -2.62 116.25 117.07 1n3s h VAL 10 Ca 0.25 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.77 1n3s h VAL 10 Cb 0.00 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1n3s h VAL 10 CO -0.04 0.24 -0.12 -0.74 0.02 0.00 0.00 177.57 176.92 1n3s h HIS 11 N -0.71 -0.29 0.00 1.57 -0.00 -1.06 -0.99 115.15 113.66 1n3s h HIS 11 Ca -0.02 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.31 1n3s h HIS 11 Cb 0.52 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 1n3s h HIS 11 CO 0.08 -0.19 -0.35 0.93 -0.00 0.00 0.00 177.93 178.40 1n3s h GLU 12 N -0.06 0.00 -0.03 5.26 3.07 -1.35 -0.69 114.58 120.77 1n3s h GLU 12 Ca 0.16 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.87 1n3s h GLU 12 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1n3s h GLU 12 CO -0.37 0.35 -0.68 0.00 -1.40 0.00 0.00 179.01 176.90 1n3s h ALA 13 N 1.65 0.78 0.15 3.43 0.00 -0.93 -1.28 119.26 123.07 1n3s h ALA 13 Ca -0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 54.91 54.01 1n3s h ALA 13 Cb 0.72 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1n3s h ALA 13 CO 0.04 0.80 -1.38 -0.07 0.00 0.00 0.00 179.25 178.64 1n3s h LEU 14 N 0.12 0.50 -0.80 0.00 3.38 -0.96 -3.22 115.31 114.33 1n3s h LEU 14 Ca -0.02 -0.58 -0.11 0.00 0.09 0.00 0.00 57.88 57.26 1n3s h LEU 14 Cb 1.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1n3s h LEU 14 CO 0.10 1.46 -0.29 0.58 0.09 0.00 0.00 178.44 180.39 1n3s h VAL 15 N 0.09 1.28 0.00 1.22 2.07 -1.07 0.25 116.25 120.08 1n3s h VAL 15 Ca -0.19 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1n3s h VAL 15 Cb 2.03 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1n3s h VAL 15 CO 0.21 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1n3s h ALA 16 N 1.19 1.00 -0.01 1.67 0.00 -1.31 -2.11 119.26 119.70 1n3s h ALA 16 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n3s h ALA 16 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n3s h ALA 16 CO 0.06 0.00 -0.30 0.54 0.00 0.00 0.00 179.25 179.55 1n3s n ARG 17 N -2.39 2.35 -2.41 0.00 3.00 -0.94 -4.99 116.66 111.27 1n3s n ARG 17 Ca 0.01 -0.49 -0.09 0.00 -0.01 0.00 0.00 57.85 57.27 1n3s n ARG 17 Cb 0.22 -1.10 0.01 0.00 0.00 0.00 0.00 32.46 31.60 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 1.02 0.12 0.00 -0.13 0.00 -0.39 -4.96 105.19 100.86 1n3s n GLY 18 Ca 0.04 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.58 0.59 -4.68 0.99 4.77 0.75 -4.94 117.00 112.90 1n3s n LEU 19 Ca -0.07 -0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.19 1n3s n LEU 19 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1n3s n LEU 19 CO 0.16 0.15 1.18 -1.61 -1.33 0.00 0.00 177.39 175.94 1n3s s GLU 20 N -3.15 4.25 -0.48 3.23 0.41 -1.23 -4.88 118.70 116.85 1n3s s GLU 20 Ca 0.02 2.01 -0.44 0.00 -0.41 0.00 0.00 54.97 56.15 1n3s s GLU 20 Cb 0.15 -3.66 -0.19 0.00 -1.78 0.00 0.00 34.13 28.65 1n3s s GLU 20 CO 0.86 -0.65 1.72 2.41 -0.49 0.00 0.00 175.26 179.11 1n3s n THR 21 N 4.87 0.00 -1.21 3.63 -1.04 -1.26 -4.61 114.28 114.65 1n3s n THR 21 Ca 0.14 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.84 1n3s n THR 21 Cb 0.43 -0.48 -0.13 0.00 -1.82 0.00 0.00 70.33 68.33 1n3s n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3s n PRO 22 N 5.02 0.00 -4.63 -2.82 -0.02 -1.26 -4.92 135.00 126.36 1n3s n PRO 22 Ca 0.38 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.60 1n3s n PRO 22 Cb -0.05 -1.16 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 1n3s n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1n3s s LEU 23 N 6.30 2.18 0.20 2.45 2.96 -1.26 -5.16 118.68 126.35 1n3s s LEU 23 Ca 1.10 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1n3s s LEU 23 Cb -0.98 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1n3s s LEU 23 CO 0.41 0.16 0.40 -0.60 -1.32 0.00 0.00 176.35 175.40 1n3s s ARG 24 N -1.28 3.53 0.20 1.98 3.52 -1.26 -5.06 118.95 120.58 1n3s s ARG 24 Ca 0.08 -0.31 -0.32 0.00 -0.13 0.00 0.00 55.73 55.05 1n3s s ARG 24 Cb -0.09 -2.83 -0.11 0.00 -1.56 0.00 0.00 34.95 30.36 1n3s s ARG 24 CO 0.02 0.39 1.63 -2.14 -0.81 0.00 0.00 175.30 174.39 1n3s s PRO 25 N -3.30 4.17 0.64 5.12 0.02 -1.26 -4.91 135.00 135.48 1n3s s PRO 25 Ca 0.39 2.48 0.37 0.00 0.02 0.00 0.00 61.00 64.26 1n3s s PRO 25 Cb -0.11 -3.11 2.09 0.00 0.02 0.00 0.00 34.50 33.40 1n3s s PRO 25 CO 0.29 -0.66 2.25 -1.35 -0.33 0.00 0.00 177.00 177.20 1n3s h PRO 26 N 6.54 0.00 0.00 5.54 0.11 -2.07 -3.46 132.00 138.66 1n3s h PRO 26 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1n3s h PRO 26 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n3s h PRO 26 CO 0.92 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 178.99 1n3s n VAL 27 N -3.33 0.00 -4.23 3.15 0.31 -1.26 -4.64 118.33 108.33 1n3s n VAL 27 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 1n3s n VAL 27 Cb 0.15 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.02 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 2.80 -0.48 3.52 -3.43 -1.26 -5.11 115.29 111.34 1n3s s HIS 28 Ca 0.00 -0.21 -0.12 0.00 -0.80 0.00 0.00 55.06 53.93 1n3s s HIS 28 Cb 0.00 -1.30 0.11 0.00 -1.43 0.00 0.00 32.58 29.96 1n3s s HIS 28 CO 0.00 0.56 0.37 -1.21 -2.00 0.00 0.00 174.74 172.46 1n3s s GLU 29 N -3.74 2.68 0.02 -0.38 2.02 -1.26 -5.07 118.70 112.98 1n3s s GLU 29 Ca 0.33 -1.64 -0.24 0.00 0.02 0.00 0.00 54.97 53.44 1n3s s GLU 29 Cb -0.06 -4.01 -0.05 0.00 0.10 0.00 0.00 34.13 30.10 1n3s s GLU 29 CO 0.21 -1.16 0.72 1.41 0.02 0.00 0.00 175.26 176.47 1n3s s MET 30 N 1.46 4.45 0.02 1.61 -2.45 -1.26 -5.01 119.30 118.12 1n3s s MET 30 Ca 0.04 0.97 -0.37 0.00 -1.25 0.00 0.00 55.69 55.08 1n3s s MET 30 Cb -0.26 -3.36 -0.17 0.00 1.25 0.00 0.00 34.83 32.29 1n3s s MET 30 CO 0.02 0.29 1.41 -3.47 1.05 0.00 0.00 175.02 174.32 1n3s n ASP 31 N 2.85 1.77 -0.16 1.11 2.03 -1.26 -4.89 116.55 118.00 1n3s n ASP 31 Ca -0.03 1.11 0.05 0.00 0.52 0.00 0.00 54.79 56.43 1n3s n ASP 31 Cb 0.50 -1.18 0.34 0.00 -0.72 0.00 0.00 41.12 40.07 1n3s n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3s h ASN 32 N 5.03 0.68 1.74 1.67 -1.24 -2.00 -2.20 115.58 119.24 1n3s h ASN 32 Ca -0.48 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 56.51 1n3s h ASN 32 Cb 1.33 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.23 1n3s h ASN 32 CO 0.81 0.46 -0.08 -0.33 -1.29 0.00 0.00 177.43 177.00 1n3s h GLU 33 N 0.78 0.00 0.17 6.67 5.08 -2.01 -3.04 114.58 122.24 1n3s h GLU 33 Ca 0.28 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.32 1n3s h GLU 33 Cb 0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1n3s h GLU 33 CO -0.08 0.08 -1.46 1.15 -1.00 0.00 0.00 179.01 177.69 1n3s h THR 34 N 0.00 1.27 -0.00 1.13 2.02 -1.80 -3.09 112.91 112.44 1n3s h THR 34 Ca -0.00 -2.81 -0.06 0.00 0.77 0.00 0.00 66.41 64.31 1n3s h THR 34 Cb 0.97 2.90 -0.01 0.00 -1.74 0.00 0.00 68.15 70.27 1n3s h THR 34 CO 0.01 0.84 -0.28 0.03 0.37 0.00 0.00 175.52 176.49 1n3s h ARG 35 N 0.10 0.00 -0.08 6.66 3.08 -1.37 -0.62 114.38 122.16 1n3s h ARG 35 Ca -0.23 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.75 1n3s h ARG 35 Cb 2.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1n3s h ARG 35 CO 0.21 0.29 -0.23 0.87 -1.07 0.00 0.00 179.97 180.05 1n3s h LYS 36 N 0.00 0.30 -0.05 0.04 1.57 -1.60 -1.85 116.57 114.98 1n3s h LYS 36 Ca -0.00 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 1n3s h LYS 36 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1n3s h LYS 36 CO 0.04 0.82 -0.27 0.66 -0.57 0.00 0.00 179.45 180.13 1n3s h SER 37 N -0.18 0.09 -0.07 0.86 4.64 -1.41 0.16 113.55 117.63 1n3s h SER 37 Ca -0.01 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1n3s h SER 37 Cb 0.84 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1n3s h SER 37 CO 0.05 0.36 -0.19 -0.07 -0.87 0.00 0.00 176.83 176.11 1n3s h LEU 38 N 0.08 0.29 -0.55 5.97 3.38 -1.10 -1.56 115.31 121.82 1n3s h LEU 38 Ca 0.01 -0.59 -0.11 0.00 0.09 0.00 0.00 57.88 57.28 1n3s h LEU 38 Cb 0.52 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1n3s h LEU 38 CO 0.04 0.83 -0.09 0.40 0.09 0.00 0.00 178.44 179.71 1n3s h ILE 39 N -0.24 1.27 -0.90 1.22 2.04 -1.05 -1.71 117.51 118.14 1n3s h ILE 39 Ca -0.00 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 1n3s h ILE 39 Cb 0.79 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1n3s h ILE 39 CO 0.04 0.44 0.51 0.00 0.00 0.00 0.00 178.15 179.14 1n3s h ALA 40 N 0.94 1.21 -0.19 1.87 0.00 -0.72 -0.11 119.26 122.25 1n3s h ALA 40 Ca 0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1n3s h ALA 40 Cb 0.65 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n3s h ALA 40 CO 0.05 0.65 -0.32 0.78 0.00 0.00 0.00 179.25 180.41 1n3s h GLY 41 N 1.26 0.42 1.98 0.00 0.00 -0.93 -1.29 103.07 104.51 1n3s h GLY 41 Ca 0.32 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 47.12 1n3s h GLY 41 CO -0.05 0.33 -0.78 0.45 0.00 0.00 0.00 176.54 176.49 1n3s h HIS 42 N 0.34 0.03 0.00 5.60 -0.00 -0.57 -3.00 115.15 117.54 1n3s h HIS 42 Ca 0.04 -0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.22 1n3s h HIS 42 Cb 0.73 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 1n3s h HIS 42 CO 0.02 0.79 -0.83 0.52 -0.00 0.00 0.00 177.93 178.43 1n3s h MET 43 N 0.01 0.00 -0.17 2.45 2.86 -0.72 -2.73 114.93 116.64 1n3s h MET 43 Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1n3s h MET 43 Cb 1.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1n3s h MET 43 CO 0.10 0.83 -0.28 1.15 1.06 0.00 0.00 176.91 179.78 1n3s h THR 44 N 0.00 1.26 -0.10 2.22 2.02 -1.18 -1.06 112.91 116.07 1n3s h THR 44 Ca -0.01 -1.23 -0.23 0.00 0.77 0.00 0.00 66.41 65.71 1n3s h THR 44 Cb 1.49 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1n3s h THR 44 CO 0.11 0.38 -0.85 -0.33 0.37 0.00 0.00 175.52 175.19 1n3s h GLU 45 N 0.28 0.74 -0.58 6.66 4.39 -1.49 -2.53 114.58 122.05 1n3s h GLU 45 Ca 0.04 -0.67 -0.03 0.00 0.34 0.00 0.00 59.36 59.03 1n3s h GLU 45 Cb 0.64 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1n3s h GLU 45 CO 0.05 1.27 0.23 0.82 -1.16 0.00 0.00 179.01 180.22 1n3s h ILE 46 N 0.45 1.23 -0.12 3.13 2.04 -1.16 -1.59 117.51 121.50 1n3s h ILE 46 Ca -0.08 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 1n3s h ILE 46 Cb 1.49 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1n3s h ILE 46 CO 0.17 0.28 -0.31 0.24 0.00 0.00 0.00 178.15 178.53 1n3s h MET 47 N 0.80 0.22 -0.24 2.37 2.86 -1.25 -2.78 114.93 116.92 1n3s h MET 47 Ca 0.19 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 1n3s h MET 47 Cb 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1n3s h MET 47 CO -0.02 0.52 -0.48 1.96 1.06 0.00 0.00 176.91 179.95 1n3s h GLN 48 N 0.20 0.63 0.00 1.72 4.20 -0.97 -2.43 115.11 118.45 1n3s h GLN 48 Ca 0.03 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1n3s h GLN 48 Cb 0.65 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1n3s h GLN 48 CO 0.05 0.97 0.00 1.28 -0.67 0.00 0.00 178.83 180.46 1n3s n LEU 49 N -4.00 0.00 -0.43 1.46 4.77 -0.65 -2.74 117.00 115.42 1n3s n LEU 49 Ca -0.03 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1n3s n LEU 49 Cb 0.57 -0.16 0.13 0.00 -2.33 0.00 0.00 43.42 41.63 1n3s n LEU 49 CO 0.47 -0.04 0.60 0.18 -1.33 0.00 0.00 177.39 177.27 1n3s n LEU 50 N -1.16 2.78 -1.15 2.23 4.77 -1.01 -5.00 117.00 118.46 1n3s n LEU 50 Ca 0.14 -2.37 -0.13 0.00 -0.03 0.00 0.00 56.01 53.61 1n3s n LEU 50 Cb 0.13 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1n3s n LEU 50 CO 0.15 0.65 -0.14 0.59 -1.33 0.00 0.00 177.39 177.32 1n3s n ASN 51 N -0.27 -4.40 -4.73 -1.43 3.02 -1.11 -5.02 115.26 101.31 1n3s n ASN 51 Ca 0.11 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.48 1n3s n ASN 51 Cb 0.51 -3.23 -0.05 0.00 -0.61 0.00 0.00 39.78 36.40 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 -3.21 4.38 -0.64 3.41 1.43 -0.95 -5.01 118.68 118.09 1n3s s LEU 52 Ca 0.00 1.28 -0.27 0.00 -1.03 0.00 0.00 54.13 54.10 1n3s s LEU 52 Cb 0.00 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.12 1n3s s LEU 52 CO 0.00 -0.04 1.46 -0.62 0.23 0.00 0.00 176.35 177.38 1n3s s ASP 53 N 0.37 5.96 0.00 2.29 -1.08 -1.26 -4.64 116.67 118.31 1n3s s ASP 53 Ca 0.37 0.04 0.30 0.00 -0.52 0.00 0.00 52.55 52.73 1n3s s ASP 53 Cb -0.19 -2.55 1.48 0.00 -1.46 0.00 0.00 42.92 40.21 1n3s s ASP 53 CO 0.20 -1.89 2.03 0.18 0.52 0.00 0.00 175.17 176.20 1n3s n LEU 54 N 10.16 0.00 0.02 -1.34 4.77 -1.26 -3.00 117.00 126.34 1n3s n LEU 54 Ca 0.11 0.29 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1n3s n LEU 54 Cb 0.50 -0.29 0.52 0.00 -2.33 0.00 0.00 43.42 41.82 1n3s n LEU 54 CO 0.71 -0.01 0.86 0.00 -1.33 0.00 0.00 177.39 177.62 1n3s n ALA 55 N -1.29 2.53 -2.32 -1.18 0.00 -1.26 -4.17 120.51 112.81 1n3s n ALA 55 Ca 0.14 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1n3s n ALA 55 Cb 0.24 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.24 7.19 0.05 0.00 2.15 -1.16 -4.93 116.67 116.73 1n3s s ASP 56 Ca 0.13 1.99 0.03 0.00 0.43 0.00 0.00 52.55 55.13 1n3s s ASP 56 Cb 0.18 -2.59 0.15 0.00 -0.30 0.00 0.00 42.92 40.36 1n3s s ASP 56 CO 0.57 -0.34 1.00 -0.90 -0.17 0.00 0.00 175.17 175.33 1n3s n ASP 57 N 3.31 0.07 -0.11 -0.34 5.75 -1.26 -1.96 116.55 122.02 1n3s n ASP 57 Ca 0.06 0.45 -0.21 0.00 -0.01 0.00 0.00 54.79 55.09 1n3s n ASP 57 Cb 0.47 -0.46 -0.08 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 -1.53 1.79 0.00 -1.12 2.88 -1.26 -4.56 113.62 109.83 1n3s n SER 58 Ca -0.00 0.16 0.11 0.00 -1.33 0.00 0.00 58.87 57.81 1n3s n SER 58 Cb 0.10 -0.55 0.50 0.00 -0.75 0.00 0.00 64.21 63.51 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 -3.72 0.02 -0.09 2.46 4.77 -1.11 -3.58 117.00 115.74 1n3s n LEU 59 Ca -0.41 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1n3s n LEU 59 Cb 0.83 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1n3s n LEU 59 CO 0.08 -0.10 0.75 -0.03 -1.33 0.00 0.00 177.39 176.75 1n3s h MET 60 N 0.00 0.48 -0.01 3.23 4.05 -1.56 -3.21 114.93 117.92 1n3s h MET 60 Ca 0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1n3s h MET 60 Cb 0.41 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1n3s h MET 60 CO 0.00 0.66 -0.09 0.39 0.23 0.00 0.00 176.91 178.10 1n3s n GLU 61 N -4.59 1.03 -0.25 0.39 -0.58 -1.24 -4.31 120.64 111.09 1n3s n GLU 61 Ca -0.03 -0.45 -0.07 0.00 -0.42 0.00 0.00 57.16 56.18 1n3s n GLU 61 Cb 0.26 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.10 1.26 -0.25 2.62 2.02 -1.68 -2.29 112.91 115.69 1n3s h THR 62 Ca 0.00 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1n3s h THR 62 Cb 0.38 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1n3s h THR 62 CO 0.00 0.35 -0.20 -0.65 0.37 0.00 0.00 175.52 175.39 1n3s h PRO 63 N 1.04 0.45 -0.57 6.66 0.11 -1.78 -1.97 132.00 135.94 1n3s h PRO 63 Ca 0.23 -0.15 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1n3s h PRO 63 Cb 0.31 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1n3s h PRO 63 CO -0.01 0.64 0.01 1.25 -0.21 0.00 0.00 178.00 179.68 1n3s h HIS 64 N 0.41 1.05 -0.29 0.65 6.17 -1.81 -2.14 115.15 119.18 1n3s h HIS 64 Ca 0.07 -0.16 -0.18 0.00 0.71 0.00 0.00 60.37 60.81 1n3s h HIS 64 Cb 0.58 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 30.24 1n3s h HIS 64 CO 0.02 0.93 -0.50 0.00 0.71 0.00 0.00 177.93 179.08 1n3s h ARG 65 N 0.89 0.86 0.00 5.26 3.08 -1.11 -1.77 114.38 121.60 1n3s h ARG 65 Ca 0.17 -0.53 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 1n3s h ARG 65 Cb 0.51 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1n3s h ARG 65 CO 0.02 1.17 -0.36 0.82 -1.07 0.00 0.00 179.97 180.56 1n3s h ILE 66 N 0.64 0.87 -0.02 2.04 2.04 -1.30 -1.33 117.51 120.45 1n3s h ILE 66 Ca 0.02 -1.45 -0.11 0.00 1.00 0.00 0.00 64.86 64.32 1n3s h ILE 66 Cb 1.11 1.88 0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1n3s h ILE 66 CO 0.11 0.35 -0.43 0.00 0.00 0.00 0.00 178.15 178.19 1n3s h ALA 67 N 1.64 0.09 -0.23 1.87 0.00 -1.31 -2.59 119.26 118.73 1n3s h ALA 67 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1n3s h ALA 67 Cb 0.86 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1n3s h ALA 67 CO 0.05 0.24 -0.02 -0.22 0.00 0.00 0.00 179.25 179.29 1n3s h LYS 68 N -0.21 0.34 -0.04 0.00 3.64 -1.16 -2.25 116.57 116.88 1n3s h LYS 68 Ca -0.05 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 1n3s h LYS 68 Cb 1.13 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1n3s h LYS 68 CO 0.09 0.38 -0.14 1.98 -2.27 0.00 0.00 179.45 179.50 1n3s h MET 69 N 0.33 0.16 -0.14 1.90 4.05 -1.27 -2.15 114.93 117.82 1n3s h MET 69 Ca 0.07 -0.12 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 1n3s h MET 69 Cb 0.26 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1n3s h MET 69 CO 0.01 0.75 -0.39 1.88 0.23 0.00 0.00 176.91 179.39 1n3s h TYR 70 N -0.39 0.37 0.00 1.39 -1.99 -1.27 -0.81 116.97 114.27 1n3s h TYR 70 Ca -0.01 -0.10 -0.25 0.00 2.00 0.00 0.00 58.73 60.38 1n3s h TYR 70 Cb 0.77 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 39.38 1n3s h TYR 70 CO 0.13 0.66 -1.42 0.28 -0.00 0.00 0.00 178.16 177.82 1n3s n VAL 71 N -4.04 1.52 0.01 -2.88 0.31 -0.86 -4.21 118.33 108.18 1n3s n VAL 71 Ca -0.01 -0.06 0.07 0.00 -0.01 0.00 0.00 64.34 64.32 1n3s n VAL 71 Cb 0.47 -2.05 -0.12 0.00 -0.91 0.00 0.00 33.84 31.24 1n3s n VAL 71 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n3s n ASP 72 N -4.42 0.30 0.00 4.52 8.00 -0.82 -4.67 116.55 119.47 1n3s n ASP 72 Ca -0.34 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1n3s n ASP 72 Cb 0.68 1.28 0.00 0.00 -0.02 0.00 0.00 41.12 43.06 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 -2.50 0.00 0.16 -1.24 1.02 -0.95 -4.72 120.64 112.42 1n3s n GLU 73 Ca -0.08 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.19 1n3s n GLU 73 Cb 0.68 0.00 0.58 0.00 -0.02 0.00 0.00 31.44 32.67 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 -0.09 -3.67 3.07 -1.46 -3.08 117.51 112.27 1n3s h ILE 74 Ca 0.00 -0.17 -0.01 0.00 1.55 0.00 0.00 64.86 66.22 1n3s h ILE 74 Cb 0.00 0.87 -0.01 0.00 -0.27 0.00 0.00 36.82 37.41 1n3s h ILE 74 CO 0.00 0.00 -0.05 0.49 -1.05 0.00 0.00 178.15 177.54 1n3s n PHE 75 N -2.37 0.33 0.25 0.16 3.72 -1.26 -3.33 117.46 114.96 1n3s n PHE 75 Ca 0.01 -1.05 0.12 0.00 -0.05 0.00 0.00 57.45 56.47 1n3s n PHE 75 Cb 0.17 -0.23 0.59 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.65 0.00 0.40 4.37 4.64 -1.51 -2.61 113.55 119.49 1n3s h SER 76 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1n3s h SER 76 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1n3s h SER 76 CO 0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1n3s n GLY 77 N -0.84 -1.18 0.00 -0.77 0.00 0.01 -3.00 105.19 99.41 1n3s n GLY 77 Ca -0.00 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.21 0.34 -4.28 0.99 4.77 -0.98 -4.68 117.00 111.95 1n3s n LEU 78 Ca 0.16 0.17 -0.38 0.00 -0.03 0.00 0.00 56.01 55.93 1n3s n LEU 78 Cb 0.20 -0.33 -0.12 0.00 -2.33 0.00 0.00 43.42 40.83 1n3s n LEU 78 CO 0.21 0.08 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.48 1n3s s ASP 79 N -2.99 5.33 0.00 -1.43 2.15 -1.16 -4.99 116.67 113.58 1n3s s ASP 79 Ca 0.12 -1.14 0.10 0.00 0.43 0.00 0.00 52.55 52.06 1n3s s ASP 79 Cb 0.18 -1.87 0.60 0.00 -0.30 0.00 0.00 42.92 41.53 1n3s s ASP 79 CO 0.64 -0.33 1.04 -1.22 -0.17 0.00 0.00 175.17 175.12 1n3s n TYR 80 N 4.82 0.00 0.19 -5.34 4.02 -1.26 -2.00 117.16 117.58 1n3s n TYR 80 Ca -0.12 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.87 1n3s n TYR 80 Cb 0.45 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.89 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 2.61 0.88 -0.04 -0.72 0.00 -1.92 -3.09 119.26 116.98 1n3s h ALA 81 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n3s h ALA 81 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n3s h ALA 81 CO 0.00 0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1n3s n ASN 82 N -3.08 1.53 -4.72 0.00 3.02 -0.85 -4.93 115.26 106.22 1n3s n ASN 82 Ca 0.03 -1.53 -0.42 0.00 -0.03 0.00 0.00 54.58 52.63 1n3s n ASN 82 Cb 0.58 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.96 3.00 0.37 3.10 5.36 -1.17 -4.94 117.98 121.74 1n3s s PHE 83 Ca 0.37 0.56 -0.28 0.00 -0.96 0.00 0.00 56.93 56.62 1n3s s PHE 83 Cb 0.20 -4.00 -0.11 0.00 -0.34 0.00 0.00 43.02 38.77 1n3s s PHE 83 CO 0.32 -3.69 1.37 -0.35 -1.46 0.00 0.00 175.22 171.41 1n3s n PRO 84 N 3.81 2.31 -2.37 10.12 -0.04 -1.26 -4.90 135.00 142.67 1n3s n PRO 84 Ca 0.14 0.81 -0.37 0.00 -0.04 0.00 0.00 63.50 64.04 1n3s n PRO 84 Cb 0.37 -2.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 1n3s n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3s s LYS 85 N -2.03 3.15 0.06 0.54 1.02 -1.26 -4.92 119.74 116.30 1n3s s LYS 85 Ca 0.55 -0.59 -0.31 0.00 0.02 0.00 0.00 55.97 55.65 1n3s s LYS 85 Cb -0.52 -5.00 -0.06 0.00 -0.52 0.00 0.00 37.83 31.73 1n3s s LYS 85 CO 0.62 -2.57 1.28 0.42 -0.92 0.00 0.00 175.35 174.19 1n3s s ILE 86 N 6.88 3.80 -0.17 2.17 1.01 -1.26 -5.04 121.20 128.59 1n3s s ILE 86 Ca 0.53 1.27 0.01 0.00 0.00 0.00 0.00 60.65 62.46 1n3s s ILE 86 Cb -0.04 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1n3s s ILE 86 CO -0.01 0.07 -0.19 0.42 0.00 0.00 0.00 174.94 175.23 1n3s s THR 87 N 1.40 1.97 -0.13 2.92 -4.23 -1.26 -5.05 115.64 111.26 1n3s s THR 87 Ca 0.61 -0.89 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1n3s s THR 87 Cb -0.31 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 1n3s s THR 87 CO 0.28 0.53 -0.10 -0.76 -0.54 0.00 0.00 174.62 174.03 1n3s s LEU 88 N 1.23 2.91 -0.11 4.79 1.43 -1.26 -2.69 118.68 124.98 1n3s s LEU 88 Ca 0.03 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1n3s s LEU 88 Cb -0.13 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1n3s s LEU 88 CO -0.10 0.19 0.22 -0.63 0.23 0.00 0.00 176.35 176.25 1n3s s ILE 89 N 0.24 5.36 0.31 -0.59 1.01 -0.71 -4.95 121.20 121.86 1n3s s ILE 89 Ca -0.07 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1n3s s ILE 89 Cb -0.15 -3.51 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 1n3s s ILE 89 CO 0.04 0.55 1.33 -0.70 0.00 0.00 0.00 174.94 176.16 1n3s s GLU 90 N -0.60 4.34 -1.24 2.79 2.12 -1.26 -1.84 118.70 123.01 1n3s s GLU 90 Ca 0.16 2.22 -0.19 0.00 0.36 0.00 0.00 54.97 57.52 1n3s s GLU 90 Cb -0.13 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1n3s s GLU 90 CO 0.05 -0.23 1.87 -1.71 -0.54 0.00 0.00 175.26 174.70 1n3s n ASN 91 N 1.17 4.03 0.17 -1.70 5.15 -0.86 -4.61 115.26 118.61 1n3s n ASN 91 Ca 0.01 -2.82 0.09 0.00 -0.60 0.00 0.00 54.58 51.27 1n3s n ASN 91 Cb 0.42 -1.69 0.09 0.00 -0.53 0.00 0.00 39.78 38.07 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 8.11 0.00 -0.01 1.20 1.57 -1.90 -3.21 116.57 122.33 1n3s h LYS 92 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1n3s h LYS 92 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1n3s h LYS 92 CO 1.47 0.11 -0.17 -1.33 -0.57 0.00 0.00 179.45 178.96 1n3s n MET 93 N -3.02 0.73 -2.73 3.15 2.81 -1.26 -4.95 117.12 111.85 1n3s n MET 93 Ca 0.02 -0.33 -0.15 0.00 -1.81 0.00 0.00 57.70 55.43 1n3s n MET 93 Cb 0.59 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 -0.84 -2.71 -1.52 0.03 4.01 -1.21 -4.85 118.16 111.06 1n3s n LYS 94 Ca 0.13 0.54 -0.40 0.00 -0.51 0.00 0.00 58.31 58.07 1n3s n LYS 94 Cb 0.31 -5.17 -0.07 0.00 -0.51 0.00 0.00 35.03 29.58 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 -3.54 -0.01 -1.34 -0.18 0.31 -1.26 -4.83 118.33 107.48 1n3s n VAL 95 Ca -0.10 -0.47 -0.28 0.00 -0.01 0.00 0.00 64.34 63.48 1n3s n VAL 95 Cb 0.58 -1.93 0.12 0.00 -0.91 0.00 0.00 33.84 31.71 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 13.26 5.62 -4.47 4.52 5.75 -1.26 -4.43 116.55 135.53 1n3s n ASP 96 Ca 0.46 -3.72 -0.23 0.00 -0.01 0.00 0.00 54.79 51.29 1n3s n ASP 96 Cb 0.34 -0.86 -0.10 0.00 -1.03 0.00 0.00 41.12 39.46 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 -3.57 1.65 0.20 0.11 0.41 -1.26 -4.99 118.70 111.25 1n3s s GLU 97 Ca 0.60 -1.81 -0.09 0.00 -0.41 0.00 0.00 54.97 53.26 1n3s s GLU 97 Cb 0.48 -1.52 -0.07 0.00 -1.78 0.00 0.00 34.13 31.25 1n3s s GLU 97 CO 0.04 0.18 0.51 0.00 -0.49 0.00 0.00 175.26 175.50 1n3s s MET 98 N -3.61 3.78 -0.11 1.61 0.23 -1.26 -4.04 119.30 115.90 1n3s s MET 98 Ca 0.30 0.22 0.03 0.00 -1.03 0.00 0.00 55.69 55.21 1n3s s MET 98 Cb 0.00 -2.72 -0.00 0.00 -1.53 0.00 0.00 34.83 30.58 1n3s s MET 98 CO 0.14 0.37 -0.21 0.08 -2.03 0.00 0.00 175.02 173.36 1n3s s VAL 99 N -1.75 2.26 -0.10 5.16 1.01 -0.54 -5.01 120.40 121.44 1n3s s VAL 99 Ca 0.45 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1n3s s VAL 99 Cb -0.12 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1n3s s VAL 99 CO 0.21 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.89 1n3s s THR 100 N 0.43 1.05 -0.37 3.92 2.01 -1.26 -1.31 115.64 120.10 1n3s s THR 100 Ca -0.15 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 1n3s s THR 100 Cb -0.17 -1.03 0.07 0.00 0.01 0.00 0.00 72.50 71.37 1n3s s THR 100 CO 0.07 0.36 0.15 -0.69 -0.69 0.00 0.00 174.62 173.82 1n3s s VAL 101 N 1.43 3.67 0.42 3.82 1.01 0.72 -5.00 120.40 126.48 1n3s s VAL 101 Ca -0.00 -1.45 0.06 0.00 0.00 0.00 0.00 61.98 60.59 1n3s s VAL 101 Cb -0.13 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1n3s s VAL 101 CO -0.05 -0.37 0.59 0.00 0.00 0.00 0.00 175.10 175.27 1n3s s ARG 102 N 1.33 2.86 -1.52 2.72 1.70 -1.26 -1.28 118.95 123.50 1n3s s ARG 102 Ca 0.01 -1.07 -0.05 0.00 -0.47 0.00 0.00 55.73 54.15 1n3s s ARG 102 Cb -0.21 -2.72 0.05 0.00 -0.57 0.00 0.00 34.95 31.50 1n3s s ARG 102 CO 0.00 -0.27 0.46 -0.25 -1.08 0.00 0.00 175.30 174.17 1n3s n ASP 103 N -1.90 -0.98 -4.69 -2.89 8.00 -1.06 -4.94 116.55 108.09 1n3s n ASP 103 Ca 0.06 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 1n3s n ASP 103 Cb 0.59 -2.75 -0.03 0.00 -0.02 0.00 0.00 41.12 38.91 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 -3.83 4.36 -0.14 0.53 1.01 -0.08 -4.79 121.20 118.26 1n3s s ILE 104 Ca 0.22 1.68 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1n3s s ILE 104 Cb -0.12 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1n3s s ILE 104 CO 0.92 0.03 2.02 -0.89 0.00 0.00 0.00 174.94 177.01 1n3s s THR 105 N 1.94 3.15 -0.19 2.92 2.01 -1.26 -1.09 115.64 123.11 1n3s s THR 105 Ca 0.55 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 1n3s s THR 105 Cb -0.24 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1n3s s THR 105 CO 0.23 -0.07 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.72 1n3s s LEU 106 N 6.50 2.40 -0.23 4.42 0.20 -0.69 -4.80 118.68 126.48 1n3s s LEU 106 Ca 0.91 -0.59 0.02 0.00 0.69 0.00 0.00 54.13 55.16 1n3s s LEU 106 Cb -0.34 -1.56 0.05 0.00 -0.43 0.00 0.00 46.19 43.90 1n3s s LEU 106 CO 0.36 -0.01 -0.13 0.42 -0.29 0.00 0.00 176.35 176.70 1n3s s THR 107 N 1.34 2.04 0.19 3.68 -4.23 -1.26 -1.24 115.64 116.15 1n3s s THR 107 Ca 0.05 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 1n3s s THR 107 Cb -0.14 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.63 1n3s s THR 107 CO -0.10 0.15 0.07 -0.24 -0.54 0.00 0.00 174.62 173.96 1n3s n SER 108 N 4.53 1.04 -3.78 3.99 2.88 -0.84 -4.10 113.62 117.34 1n3s n SER 108 Ca -0.16 -1.99 -0.14 0.00 -1.33 0.00 0.00 58.87 55.24 1n3s n SER 108 Cb 0.45 0.48 -0.16 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.25 -0.05 0.16 2.46 2.01 -1.25 -1.38 115.64 115.34 1n3s s THR 109 Ca 0.10 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.98 1n3s s THR 109 Cb 0.00 -0.09 -0.08 0.00 0.01 0.00 0.00 72.50 72.34 1n3s s THR 109 CO 0.07 0.08 1.33 0.00 -0.69 0.00 0.00 174.62 175.41 1n3s h GLU 111 N 5.98 0.00 -0.54 0.00 4.11 -1.41 -0.81 114.58 121.92 1n3s h GLU 111 Ca -0.44 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.89 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 0.81 0.26 -0.08 1.25 0.07 0.00 0.00 179.01 181.32 1n3s h HIS 112 N 0.00 1.12 0.00 2.06 2.76 -1.91 -3.39 115.15 115.78 1n3s h HIS 112 Ca -0.00 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 1n3s h HIS 112 Cb 0.67 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1n3s h HIS 112 CO 0.00 1.03 -0.13 -1.13 -1.30 0.00 0.00 177.93 176.40 1n3s n SER 113 N -4.19 0.00 -2.27 3.26 3.41 -1.21 -5.03 113.62 107.59 1n3s n SER 113 Ca 0.01 -1.26 -0.17 0.00 -0.26 0.00 0.00 58.87 57.19 1n3s n SER 113 Cb 0.39 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1n3s n SER 113 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1n3s n PHE 114 N 0.00 -1.02 -4.06 7.33 3.01 -0.31 -4.99 117.46 117.42 1n3s n PHE 114 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.13 1n3s n PHE 114 Cb 0.55 -3.39 -0.06 0.00 -0.01 0.00 0.00 39.48 36.56 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 -2.80 4.86 0.22 -4.37 1.01 -1.25 -4.81 120.40 113.26 1n3s s VAL 115 Ca 0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 61.98 61.27 1n3s s VAL 115 Cb 0.00 -3.24 -0.14 0.00 0.00 0.00 0.00 36.38 33.00 1n3s s VAL 115 CO 0.00 0.32 1.33 0.41 0.00 0.00 0.00 175.10 177.17 1n3s n THR 116 N 1.06 0.94 -4.21 3.92 -1.04 -1.26 -0.83 114.28 112.86 1n3s n THR 116 Ca -0.12 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.05 61.32 1n3s n THR 116 Cb 0.53 -1.29 -0.15 0.00 -1.82 0.00 0.00 70.33 67.59 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 -0.10 2.66 -0.36 12.58 1.01 -0.48 -1.78 121.20 134.73 1n3s s ILE 117 Ca 0.69 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 1n3s s ILE 117 Cb -0.71 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1n3s s ILE 117 CO 0.50 0.50 0.18 -0.62 0.00 0.00 0.00 174.94 175.50 1n3s s ASP 118 N 1.16 5.62 0.34 3.58 2.15 0.06 -2.00 116.67 127.60 1n3s s ASP 118 Ca 0.01 -0.92 0.03 0.00 0.43 0.00 0.00 52.55 52.11 1n3s s ASP 118 Cb -0.14 -1.99 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 1n3s s ASP 118 CO -0.05 -0.34 0.14 -0.83 -0.17 0.00 0.00 175.17 173.91 1n3s s GLY 119 N 1.54 2.25 -0.01 2.66 0.00 -0.38 -0.84 107.32 112.54 1n3s s GLY 119 Ca 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1n3s s GLY 119 CO 0.06 -1.70 0.01 0.54 0.00 0.00 0.00 173.10 172.01 1n3s s LYS 120 N -3.79 0.04 0.06 2.90 3.01 0.33 -1.71 119.74 120.58 1n3s s LYS 120 Ca 0.32 0.10 0.06 0.00 -1.01 0.00 0.00 55.97 55.44 1n3s s LYS 120 Cb 0.05 -0.22 -0.04 0.00 -1.01 0.00 0.00 37.83 36.61 1n3s s LYS 120 CO 0.16 -0.10 -0.12 0.00 0.51 0.00 0.00 175.35 175.81 1n3s s ALA 121 N 0.70 2.87 -0.17 5.17 0.00 -0.25 -0.62 121.76 129.47 1n3s s ALA 121 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1n3s s ALA 121 Cb -0.09 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1n3s s ALA 121 CO -0.02 0.62 -0.11 0.99 0.00 0.00 0.00 175.76 177.24 1n3s s THR 122 N -1.08 1.48 -0.13 0.00 2.01 0.15 -0.91 115.64 117.16 1n3s s THR 122 Ca 0.18 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1n3s s THR 122 Cb -0.11 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.91 1n3s s THR 122 CO 0.10 0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.42 1n3s s VAL 123 N 1.50 2.14 0.00 3.82 1.01 -0.41 -0.52 120.40 127.95 1n3s s VAL 123 Ca 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1n3s s VAL 123 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1n3s s VAL 123 CO -0.09 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.42 1n3s s ALA 124 N 0.65 1.15 0.14 5.51 0.00 -0.13 -0.20 121.76 128.88 1n3s s ALA 124 Ca -0.11 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1n3s s ALA 124 Cb -0.16 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1n3s s ALA 124 CO 0.02 0.26 0.33 1.52 0.00 0.00 0.00 175.76 177.89 1n3s s TYR 125 N -0.48 0.08 -0.28 0.00 1.13 -0.43 -0.15 117.35 117.22 1n3s s TYR 125 Ca 0.04 -0.45 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 1n3s s TYR 125 Cb -0.06 0.11 0.06 0.00 -1.10 0.00 0.00 41.96 40.97 1n3s s TYR 125 CO 0.00 -0.70 -0.06 0.42 -2.51 0.00 0.00 175.55 172.70 1n3s s ILE 126 N -3.88 2.42 0.20 -3.49 1.01 -0.97 -1.47 121.20 115.02 1n3s s ILE 126 Ca 0.09 -1.66 -0.32 0.00 0.00 0.00 0.00 60.65 58.75 1n3s s ILE 126 Cb 0.03 -2.46 -0.13 0.00 0.01 0.00 0.00 42.46 39.90 1n3s s ILE 126 CO -0.07 -0.13 1.51 -2.65 0.00 0.00 0.00 174.94 173.61 1n3s n PRO 127 N 4.46 2.15 0.00 2.79 -0.02 -1.26 -4.85 135.00 138.28 1n3s n PRO 127 Ca -0.12 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1n3s n PRO 127 Cb 0.42 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.77 0.00 0.00 -0.52 4.81 -1.26 -4.58 118.16 119.38 1n3s n LYS 128 Ca 0.14 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1n3s n LYS 128 Cb 0.30 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.40 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 -0.09 2.23 -3.75 3.14 8.00 -1.26 -4.83 116.55 119.99 1n3s n ASP 129 Ca 0.00 -1.62 -0.13 0.00 0.71 0.00 0.00 54.79 53.75 1n3s n ASP 129 Cb 0.00 0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.73 -0.25 -0.15 -2.24 1.04 -1.26 -2.03 113.70 107.08 1n3s s SER 130 Ca 0.19 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1n3s s SER 130 Cb 0.15 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 1n3s s SER 130 CO 0.31 -0.40 -0.15 -0.69 0.98 0.00 0.00 173.24 173.29 1n3s s VAL 131 N -1.05 2.73 0.36 5.02 1.01 -0.77 -4.64 120.40 123.06 1n3s s VAL 131 Ca -0.11 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1n3s s VAL 131 Cb -0.04 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 1n3s s VAL 131 CO 0.04 0.51 0.74 -0.51 0.00 0.00 0.00 175.10 175.88 1n3s s ILE 132 N 0.77 4.76 0.24 2.22 2.07 -1.26 -1.74 121.20 128.25 1n3s s ILE 132 Ca -0.06 0.73 -0.30 0.00 -1.41 0.00 0.00 60.65 59.61 1n3s s ILE 132 Cb -0.15 -3.68 -0.09 0.00 0.13 0.00 0.00 42.46 38.67 1n3s s ILE 132 CO 0.01 -0.36 1.31 -0.83 -1.91 0.00 0.00 174.94 173.16 1n3s s GLY 133 N -2.76 2.59 0.16 1.50 0.00 -1.09 -4.95 107.32 102.77 1n3s s GLY 133 Ca 0.52 1.15 -0.18 0.00 0.00 0.00 0.00 44.72 46.21 1n3s s GLY 133 CO 0.25 2.02 1.68 1.41 0.00 0.00 0.00 173.10 178.46 1n3s h LEU 134 N 4.83 -0.34 -1.84 0.66 3.38 -1.96 -2.49 115.31 117.56 1n3s h LEU 134 Ca -0.46 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1n3s h LEU 134 Cb 1.22 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1n3s h LEU 134 CO 0.74 -0.12 -0.06 0.77 0.09 0.00 0.00 178.44 179.86 1n3s h SER 135 N -0.00 0.00 0.79 -0.43 4.64 -2.01 -2.47 113.55 114.07 1n3s h SER 135 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1n3s h SER 135 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1n3s h SER 135 CO -0.37 0.06 -0.01 0.11 -0.87 0.00 0.00 176.83 175.76 1n3s h LYS 136 N 0.00 0.00 0.05 4.77 1.79 -1.84 0.17 116.57 121.52 1n3s h LYS 136 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1n3s h LYS 136 Cb 0.40 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1n3s h LYS 136 CO 0.01 0.01 -0.95 0.82 -1.08 0.00 0.00 179.45 178.26 1n3s h ILE 137 N 0.00 1.35 -0.62 1.86 2.04 -1.51 -1.27 117.51 119.37 1n3s h ILE 137 Ca -0.00 -2.29 -0.09 0.00 1.00 0.00 0.00 64.86 63.48 1n3s h ILE 137 Cb 0.40 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1n3s h ILE 137 CO 0.00 0.69 0.04 0.78 0.00 0.00 0.00 178.15 179.65 1n3s h ASN 138 N 0.12 1.02 0.43 1.72 2.35 -1.44 -2.14 115.58 117.64 1n3s h ASN 138 Ca -0.13 -0.27 -0.16 0.00 -0.55 0.00 0.00 56.30 55.19 1n3s h ASN 138 Cb 1.64 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 1n3s h ASN 138 CO 0.18 1.05 -0.66 0.03 -1.65 0.00 0.00 177.43 176.38 1n3s h ARG 139 N 0.97 0.21 -0.34 0.81 3.08 -0.98 -2.09 114.38 116.04 1n3s h ARG 139 Ca 0.18 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1n3s h ARG 139 Cb 0.51 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1n3s h ARG 139 CO 0.02 0.79 -0.20 0.82 -1.07 0.00 0.00 179.97 180.34 1n3s h ILE 140 N 0.15 1.29 -0.79 2.04 2.04 -1.03 -0.06 117.51 121.13 1n3s h ILE 140 Ca -0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1n3s h ILE 140 Cb 1.19 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1n3s h ILE 140 CO 0.10 0.43 0.38 0.58 0.00 0.00 0.00 178.15 179.65 1n3s h VAL 141 N 0.51 1.25 0.00 1.67 2.07 -1.33 -2.75 116.25 117.67 1n3s h VAL 141 Ca 0.07 -0.70 -0.16 0.00 0.82 0.00 0.00 66.70 66.73 1n3s h VAL 141 Cb 0.75 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1n3s h VAL 141 CO 0.06 0.30 -0.76 1.56 0.02 0.00 0.00 177.57 178.75 1n3s h GLN 142 N 1.12 0.00 0.23 1.57 1.08 -1.26 -2.27 115.11 115.57 1n3s h GLN 142 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1n3s h GLN 142 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1n3s h GLN 142 CO -0.03 0.76 -0.11 0.35 -0.95 0.00 0.00 178.83 178.84 1n3s h PHE 143 N 0.00 -0.28 0.00 2.96 3.57 -0.73 -1.25 116.94 121.22 1n3s h PHE 143 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1n3s h PHE 143 Cb 1.41 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.24 1n3s h PHE 143 CO 0.00 -0.07 0.00 0.74 -2.23 0.00 0.00 178.31 176.75 1n3s h PHE 144 N -0.45 0.00 0.07 0.41 0.04 -1.55 -3.14 116.94 112.32 1n3s h PHE 144 Ca -0.03 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.47 1n3s h PHE 144 Cb 0.34 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.51 1n3s h PHE 144 CO -0.02 0.00 -1.13 0.00 -0.60 0.00 0.00 178.31 176.56 1n3s h ALA 145 N 2.07 0.14 0.00 2.45 0.00 -1.13 -3.35 119.26 119.45 1n3s h ALA 145 Ca 0.00 -0.76 -0.57 0.00 0.00 0.00 0.00 54.91 53.58 1n3s h ALA 145 Cb 0.64 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1n3s h ALA 145 CO 0.00 0.77 3.17 1.04 0.00 0.00 0.00 179.25 184.23 1n3s n GLN 146 N -3.74 2.80 -3.57 0.00 1.13 -0.49 -4.20 117.38 109.30 1n3s n GLN 146 Ca -0.10 -1.97 -0.12 0.00 -1.94 0.00 0.00 57.00 52.87 1n3s n GLN 146 Cb 0.93 -2.76 -0.04 0.00 0.11 0.00 0.00 30.24 28.48 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 3.04 1.09 -0.43 -1.09 0.52 -1.21 -0.81 118.95 120.06 1n3s s ARG 147 Ca 0.55 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 55.01 1n3s s ARG 147 Cb 0.14 0.49 0.00 0.00 0.52 0.00 0.00 34.95 36.11 1n3s s ARG 147 CO -0.04 -0.42 1.54 -2.14 0.02 0.00 0.00 175.30 174.26 1n3s s PRO 148 N -3.22 3.40 0.35 3.54 0.02 -1.26 -3.88 135.00 133.95 1n3s s PRO 148 Ca -0.01 0.96 0.08 0.00 0.02 0.00 0.00 61.00 62.05 1n3s s PRO 148 Cb 0.00 -4.11 -0.05 0.00 0.02 0.00 0.00 34.50 30.37 1n3s s PRO 148 CO -0.08 -1.78 0.13 -0.65 -0.33 0.00 0.00 177.00 174.29 1n3s s GLN 149 N 5.36 2.29 -0.12 5.54 -1.52 0.61 -4.56 119.66 127.27 1n3s s GLN 149 Ca 0.65 -1.64 0.02 0.00 -1.95 0.00 0.00 55.36 52.44 1n3s s GLN 149 Cb -0.15 -2.10 0.01 0.00 -0.22 0.00 0.00 33.01 30.55 1n3s s GLN 149 CO 0.31 0.07 -0.17 0.08 -0.25 0.00 0.00 175.29 175.33 1n3s s VAL 150 N -2.47 1.66 0.29 1.09 1.01 -1.26 -1.22 120.40 119.48 1n3s s VAL 150 Ca 0.38 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1n3s s VAL 150 Cb -0.01 -1.49 0.29 0.00 0.00 0.00 0.00 36.38 35.16 1n3s s VAL 150 CO 0.22 0.47 1.83 -0.61 0.00 0.00 0.00 175.10 177.01 1n3s h GLN 151 N 7.37 0.94 -0.18 2.72 4.15 -1.98 0.35 115.11 128.49 1n3s h GLN 151 Ca -0.31 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 58.94 1n3s h GLN 151 Cb 1.18 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1n3s h GLN 151 CO 0.51 0.62 -0.36 0.93 -1.93 0.00 0.00 178.83 178.60 1n3s h GLU 152 N 0.97 0.38 0.15 1.69 3.07 -1.97 -1.56 114.58 117.31 1n3s h GLU 152 Ca 0.51 -0.17 -0.31 0.00 -0.50 0.00 0.00 59.36 58.89 1n3s h GLU 152 Cb 0.54 -0.01 0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1n3s h GLU 152 CO -0.28 0.69 -1.29 -0.09 -1.40 0.00 0.00 179.01 176.64 1n3s h ARG 153 N 0.32 0.60 -0.54 2.33 2.43 -1.84 -3.21 114.38 114.48 1n3s h ARG 153 Ca 0.04 -0.84 0.03 0.00 -0.81 0.00 0.00 59.98 58.40 1n3s h ARG 153 Cb 0.79 0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 1n3s h ARG 153 CO 0.06 1.39 0.32 1.25 -1.51 0.00 0.00 179.97 181.47 1n3s h LEU 154 N 0.25 0.51 -0.71 3.80 5.85 -0.68 -0.38 115.31 123.95 1n3s h LEU 154 Ca -0.20 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1n3s h LEU 154 Cb 1.97 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.86 1n3s h LEU 154 CO 0.24 0.35 0.40 0.74 -0.34 0.00 0.00 178.44 179.84 1n3s h THR 155 N 0.63 1.21 -0.27 1.05 2.02 -1.39 -2.65 112.91 113.51 1n3s h THR 155 Ca 0.22 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 1n3s h THR 155 Cb 0.04 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1n3s h THR 155 CO -0.11 0.23 -0.43 1.56 0.37 0.00 0.00 175.52 177.15 1n3s h GLN 156 N 0.97 0.67 -0.60 6.66 1.08 -1.45 -1.81 115.11 120.64 1n3s h GLN 156 Ca 0.25 -0.36 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 1n3s h GLN 156 Cb 0.02 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1n3s h GLN 156 CO -0.04 0.97 0.15 1.96 -0.95 0.00 0.00 178.83 180.92 1n3s h GLN 157 N 0.54 0.93 -0.15 1.46 4.20 -0.89 -0.64 115.11 120.55 1n3s h GLN 157 Ca 0.04 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 1n3s h GLN 157 Cb 0.97 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1n3s h GLN 157 CO 0.09 0.82 -0.18 0.82 -0.67 0.00 0.00 178.83 179.71 1n3s h ILE 158 N 0.89 1.35 0.44 2.54 1.08 -1.35 -2.13 117.51 120.32 1n3s h ILE 158 Ca 0.19 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1n3s h ILE 158 Cb 0.31 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1n3s h ILE 158 CO -0.00 0.40 -0.47 0.25 -0.69 0.00 0.00 178.15 177.64 1n3s h LEU 159 N 0.02 -1.30 -1.28 1.44 5.85 -0.95 -0.54 115.31 118.56 1n3s h LEU 159 Ca 0.02 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1n3s h LEU 159 Cb 0.72 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1n3s h LEU 159 CO 0.04 -0.62 0.13 0.40 -0.34 0.00 0.00 178.44 178.05 1n3s h ILE 160 N -0.92 1.18 -0.38 4.05 1.08 -1.22 0.11 117.51 121.41 1n3s h ILE 160 Ca -0.05 -0.61 -0.05 0.00 -0.39 0.00 0.00 64.86 63.76 1n3s h ILE 160 Cb 0.82 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1n3s h ILE 160 CO -0.08 0.23 0.06 0.00 -0.69 0.00 0.00 178.15 177.66 1n3s h ALA 161 N 1.53 0.50 -0.26 1.87 0.00 -1.09 -1.15 119.26 120.65 1n3s h ALA 161 Ca 0.15 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1n3s h ALA 161 Cb 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n3s h ALA 161 CO -0.01 0.21 -0.52 -0.07 0.00 0.00 0.00 179.25 178.86 1n3s h LEU 162 N 0.47 0.85 -1.04 0.00 3.38 -0.52 -2.50 115.31 115.95 1n3s h LEU 162 Ca 0.11 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1n3s h LEU 162 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1n3s h LEU 162 CO 0.01 1.21 0.32 1.56 0.09 0.00 0.00 178.44 181.63 1n3s h GLN 163 N 0.60 1.00 -0.08 1.13 4.20 -0.61 -1.13 115.11 120.22 1n3s h GLN 163 Ca 0.02 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1n3s h GLN 163 Cb 1.11 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1n3s h GLN 163 CO 0.11 0.78 -0.21 1.15 -0.67 0.00 0.00 178.83 180.00 1n3s h THR 164 N 0.99 1.42 -0.19 -0.54 2.02 -1.18 -1.57 112.91 113.86 1n3s h THR 164 Ca 0.24 -1.56 -0.08 0.00 0.77 0.00 0.00 66.41 65.78 1n3s h THR 164 Cb 0.13 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1n3s h THR 164 CO -0.03 0.44 -0.25 -0.07 0.37 0.00 0.00 175.52 175.98 1n3s h LEU 165 N -0.20 0.34 0.00 2.58 3.38 -1.31 -3.07 115.31 117.02 1n3s h LEU 165 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1n3s h LEU 165 Cb 0.82 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1n3s h LEU 165 CO 0.05 0.60 -0.99 0.18 0.09 0.00 0.00 178.44 178.36 1n3s n LEU 166 N -4.14 0.78 -1.22 1.67 4.77 -0.44 -4.98 117.00 113.44 1n3s n LEU 166 Ca -0.01 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1n3s n LEU 166 Cb 0.38 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1n3s n LEU 166 CO 0.41 -0.15 -0.13 0.61 -1.33 0.00 0.00 177.39 176.80 1n3s n GLY 167 N 1.22 -0.07 3.06 -0.72 0.00 -0.62 -4.49 105.19 103.58 1n3s n GLY 167 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 0.16 -0.98 2.61 2.01 -1.06 -4.90 115.64 110.94 1n3s s THR 168 Ca 0.00 -1.32 0.21 0.00 0.31 0.00 0.00 61.69 60.90 1n3s s THR 168 Cb -0.00 -0.93 -0.20 0.00 0.01 0.00 0.00 72.50 71.37 1n3s s THR 168 CO 0.00 -0.73 0.95 0.59 -0.69 0.00 0.00 174.62 174.75 1n3s n ASN 169 N 0.78 0.92 -3.71 3.53 3.02 -1.26 -4.43 115.26 114.11 1n3s n ASN 169 Ca -0.19 -0.89 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 1n3s n ASN 169 Cb 0.58 0.93 -0.04 0.00 -0.61 0.00 0.00 39.78 40.64 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 -1.52 2.86 -3.99 6.41 3.02 -1.26 -1.81 115.26 118.96 1n3s n ASN 170 Ca 0.04 -2.72 -0.11 0.00 -0.03 0.00 0.00 54.58 51.76 1n3s n ASN 170 Cb 0.34 -1.26 -0.12 0.00 -0.61 0.00 0.00 39.78 38.13 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 4.93 0.27 -0.02 2.41 1.01 -1.24 -2.30 120.40 125.46 1n3s s VAL 171 Ca 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1n3s s VAL 171 Cb 0.13 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1n3s s VAL 171 CO 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 175.10 174.83 1n3s s ALA 172 N -1.15 0.29 -0.06 5.51 0.00 0.78 -0.93 121.76 126.20 1n3s s ALA 172 Ca -0.11 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1n3s s ALA 172 Cb -0.08 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1n3s s ALA 172 CO -0.00 -0.05 -0.12 0.08 0.00 0.00 0.00 175.76 175.66 1n3s s VAL 173 N 0.87 1.09 -0.04 0.00 1.01 -0.66 -0.96 120.40 121.72 1n3s s VAL 173 Ca -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1n3s s VAL 173 Cb -0.12 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1n3s s VAL 173 CO -0.02 0.34 -0.03 -0.55 0.00 0.00 0.00 175.10 174.85 1n3s s SER 174 N 0.61 0.79 -0.15 3.32 0.15 0.32 -0.22 113.70 118.52 1n3s s SER 174 Ca -0.13 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1n3s s SER 174 Cb -0.15 -0.37 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 1n3s s SER 174 CO 0.03 -0.07 -0.20 -0.63 1.20 0.00 0.00 173.24 173.57 1n3s s ILE 175 N 0.97 2.00 -0.25 6.45 1.01 -0.33 0.32 121.20 131.36 1n3s s ILE 175 Ca -0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 1n3s s ILE 175 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1n3s s ILE 175 CO -0.01 0.53 0.09 -0.62 0.00 0.00 0.00 174.94 174.94 1n3s s ASP 176 N 1.04 5.24 0.05 3.58 2.15 0.21 -1.19 116.67 127.76 1n3s s ASP 176 Ca -0.02 -0.19 -0.04 0.00 0.43 0.00 0.00 52.55 52.73 1n3s s ASP 176 Cb -0.14 -1.95 -0.02 0.00 -0.30 0.00 0.00 42.92 40.51 1n3s s ASP 176 CO -0.06 -0.04 0.06 0.00 -0.17 0.00 0.00 175.17 174.95 1n3s s ALA 177 N 1.63 0.15 -0.18 3.66 0.00 0.96 -0.51 121.76 127.47 1n3s s ALA 177 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1n3s s ALA 177 Cb -0.15 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1n3s s ALA 177 CO 0.05 -0.37 -0.18 0.08 0.00 0.00 0.00 175.76 175.34 1n3s s VAL 178 N -3.34 2.31 -0.26 0.00 1.01 -0.02 -0.10 120.40 120.01 1n3s s VAL 178 Ca 0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1n3s s VAL 178 Cb 0.03 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1n3s s VAL 178 CO -0.08 0.52 0.25 -1.00 0.00 0.00 0.00 175.10 174.80 1n3s s HIS 179 N 1.20 3.26 -1.66 5.22 3.76 -1.26 -0.76 115.29 125.05 1n3s s HIS 179 Ca 0.02 0.27 0.23 0.00 -0.15 0.00 0.00 55.06 55.44 1n3s s HIS 179 Cb -0.14 -2.42 1.27 0.00 1.11 0.00 0.00 32.58 32.40 1n3s s HIS 179 CO -0.09 -0.12 1.77 0.66 -0.85 0.00 0.00 174.74 176.12 1n3s n TYR 180 N 4.91 0.00 0.91 1.40 4.02 -0.73 -1.76 117.16 125.92 1n3s n TYR 180 Ca -0.12 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.89 1n3s n TYR 180 Cb 0.52 -0.17 0.29 0.00 -0.02 0.00 0.00 39.34 39.96 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 -1.63 1.13 -0.07 0.00 0.31 -0.81 -4.29 118.33 112.96 1n3s n VAL 182 Ca 0.05 -0.53 -0.11 0.00 -0.01 0.00 0.00 64.34 63.74 1n3s n VAL 182 Cb 0.36 -0.96 -0.07 0.00 -0.91 0.00 0.00 33.84 32.25 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 0.00 0.00 -0.61 5.55 3.64 -1.42 -0.98 116.57 122.75 1n3s h LYS 183 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1n3s h LYS 183 Cb 1.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1n3s h LYS 183 CO -0.03 0.57 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 1n3s n ALA 184 N -3.06 2.85 -3.61 5.00 0.00 -0.70 -3.68 120.51 117.31 1n3s n ALA 184 Ca -0.13 -1.15 -0.09 0.00 0.00 0.00 0.00 53.44 52.06 1n3s n ALA 184 Cb 0.38 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.67 1.44 4.08 0.00 3.52 -1.23 -4.99 118.95 120.10 1n3s s ARG 185 Ca 0.39 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1n3s s ARG 185 Cb 0.24 0.58 0.00 0.00 -1.56 0.00 0.00 34.95 34.21 1n3s s ARG 185 CO 0.20 -0.65 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 1n3s n GLY 186 N -0.41 0.69 0.25 8.12 0.00 -1.26 -1.51 105.19 111.07 1n3s n GLY 186 Ca -0.11 0.59 0.16 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 -6.32 -0.61 6.09 -1.84 -3.47 117.51 111.35 1n3s h ILE 187 Ca 0.00 -0.53 -0.46 0.00 -1.37 0.00 0.00 64.86 62.50 1n3s h ILE 187 Cb 0.00 1.50 0.02 0.00 0.47 0.00 0.00 36.82 38.81 1n3s h ILE 187 CO 0.00 0.00 -0.90 0.54 -3.07 0.00 0.00 178.15 174.72 1n3s n ARG 188 N -2.95 -2.67 -2.95 2.19 1.74 -0.57 -4.93 116.66 106.52 1n3s n ARG 188 Ca 0.01 0.46 -0.44 0.00 -0.77 0.00 0.00 57.85 57.11 1n3s n ARG 188 Cb 0.33 -4.45 -0.03 0.00 -1.02 0.00 0.00 32.46 27.29 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 -4.00 6.41 0.51 0.55 -1.08 -0.40 -4.91 116.67 113.74 1n3s s ASP 189 Ca 0.20 -1.62 0.29 0.00 -0.52 0.00 0.00 52.55 50.89 1n3s s ASP 189 Cb -0.07 -2.38 1.28 0.00 -1.46 0.00 0.00 42.92 40.29 1n3s s ASP 189 CO 0.87 -1.18 1.97 0.00 0.52 0.00 0.00 175.17 177.35 1n3s h ALA 190 N 9.09 1.08 0.00 3.66 0.00 -1.86 -3.33 119.26 127.91 1n3s h ALA 190 Ca -0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 1n3s h ALA 190 Cb 1.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1n3s h ALA 190 CO 1.12 0.15 -2.17 0.25 0.00 0.00 0.00 179.25 178.60 1n3s n THR 191 N -3.36 1.06 -1.87 0.00 -2.24 -1.26 -5.03 114.28 101.57 1n3s n THR 191 Ca -0.00 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.71 1n3s n THR 191 Cb 0.32 -0.45 0.05 0.00 -2.10 0.00 0.00 70.33 68.15 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 -5.05 4.95 0.04 3.42 1.04 -1.25 -5.07 113.70 111.78 1n3s s SER 192 Ca -0.09 2.40 -0.09 0.00 0.48 0.00 0.00 55.95 58.66 1n3s s SER 192 Cb 0.06 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1n3s s SER 192 CO 0.74 -1.76 0.18 0.00 0.98 0.00 0.00 173.24 173.38 1n3s s ALA 193 N -1.66 -0.31 -0.09 5.32 0.00 -1.26 -4.85 121.76 118.92 1n3s s ALA 193 Ca 0.77 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1n3s s ALA 193 Cb -0.31 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1n3s s ALA 193 CO 0.36 -0.36 -0.19 0.99 0.00 0.00 0.00 175.76 176.56 1n3s s THR 194 N -2.64 2.56 -0.20 0.00 2.01 0.86 -4.94 115.64 113.28 1n3s s THR 194 Ca -0.04 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1n3s s THR 194 Cb -0.01 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1n3s s THR 194 CO -0.04 0.56 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.41 1n3s s THR 195 N -0.02 2.45 -0.23 -0.82 2.01 -1.26 -0.02 115.64 117.74 1n3s s THR 195 Ca -0.06 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1n3s s THR 195 Cb -0.15 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.28 1n3s s THR 195 CO 0.05 0.44 -0.07 0.42 -0.69 0.00 0.00 174.62 174.77 1n3s s THR 196 N 1.33 2.91 -0.16 -0.82 -4.23 -0.33 -4.98 115.64 109.36 1n3s s THR 196 Ca 0.04 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 1n3s s THR 196 Cb -0.14 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1n3s s THR 196 CO -0.09 0.30 -0.17 0.42 -0.54 0.00 0.00 174.62 174.54 1n3s s THR 197 N 1.36 2.51 -0.34 3.99 -4.23 -1.26 -1.19 115.64 116.48 1n3s s THR 197 Ca 0.02 -0.82 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1n3s s THR 197 Cb -0.15 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 71.69 1n3s s THR 197 CO -0.05 0.52 0.08 -0.44 -0.54 0.00 0.00 174.62 174.19 1n3s s SER 198 N 0.92 5.14 -0.09 3.99 0.01 0.70 -5.00 113.70 119.37 1n3s s SER 198 Ca -0.03 -1.36 -0.10 0.00 1.31 0.00 0.00 55.95 55.77 1n3s s SER 198 Cb -0.15 -1.80 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 1n3s s SER 198 CO -0.02 -0.34 0.24 -0.76 0.41 0.00 0.00 173.24 172.76 1n3s s LEU 199 N 1.30 4.39 0.10 2.44 1.43 -1.26 -1.65 118.68 125.43 1n3s s LEU 199 Ca -0.01 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1n3s s LEU 199 Cb -0.20 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1n3s s LEU 199 CO -0.00 0.34 -0.10 -0.83 0.23 0.00 0.00 176.35 175.99 1n3s s GLY 200 N -0.84 0.88 0.00 -3.19 0.00 -0.11 -4.67 107.32 99.41 1n3s s GLY 200 Ca 0.17 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1n3s s GLY 200 CO 0.07 -1.31 0.00 0.61 0.00 0.00 0.00 173.10 172.47 1n3s n GLY 201 N 0.46 3.62 0.28 0.20 0.00 -0.75 -1.69 105.19 107.31 1n3s n GLY 201 Ca -0.15 0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.12 0.99 3.38 -1.91 0.17 115.31 117.82 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 0.05 0.00 0.49 0.09 0.00 0.00 178.44 179.07 1n3s n PHE 203 N -3.22 0.47 0.00 1.13 3.72 -0.68 -3.33 117.46 115.55 1n3s n PHE 203 Ca -0.01 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1n3s n PHE 203 Cb 0.27 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.06 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 -1.90 0.00 0.34 -1.08 4.81 -0.38 -4.15 118.16 115.79 1n3s n LYS 204 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.31 1n3s n LYS 204 Cb 0.33 -0.15 -0.09 0.00 0.02 0.00 0.00 35.03 35.13 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 -1.24 -3.08 3.14 4.64 -0.92 -3.42 113.55 112.66 1n3s h SER 205 Ca 0.00 0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.88 1n3s h SER 205 Cb 0.00 0.39 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1n3s h SER 205 CO 0.00 -0.67 0.70 -0.55 -0.87 0.00 0.00 176.83 175.44 1n3s s SER 206 N -4.34 6.86 0.26 4.97 0.15 -1.21 -4.94 113.70 115.45 1n3s s SER 206 Ca -0.18 2.31 -0.03 0.00 0.70 0.00 0.00 55.95 58.74 1n3s s SER 206 Cb 0.04 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 1n3s s SER 206 CO 0.61 -0.62 1.80 -0.61 1.20 0.00 0.00 173.24 175.62 1n3s h GLN 207 N 6.58 0.93 0.62 5.44 5.75 -1.82 -3.17 115.11 129.43 1n3s h GLN 207 Ca -0.42 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 57.85 1n3s h GLN 207 Cb 1.21 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.63 1n3s h GLN 207 CO 0.85 0.82 -0.30 -0.97 -2.65 0.00 0.00 178.83 176.58 1n3s h ASN 208 N 0.89 -0.70 0.46 -0.69 -1.24 -1.92 -3.27 115.58 109.11 1n3s h ASN 208 Ca 0.19 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1n3s h ASN 208 Cb 0.30 0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1n3s h ASN 208 CO -0.00 -0.41 0.00 0.41 -1.29 0.00 0.00 177.43 176.14 1n3s n THR 209 N -4.76 1.07 -0.03 -3.57 -1.04 -1.25 -2.75 114.28 101.95 1n3s n THR 209 Ca -0.10 0.34 -0.13 0.00 -2.04 0.00 0.00 64.05 62.11 1n3s n THR 209 Cb 0.33 -1.22 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 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 0.13 -0.17 -2.82 2.43 -1.59 -3.08 114.38 109.28 1n3s h ARG 210 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1n3s h ARG 210 Cb 0.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1n3s h ARG 210 CO 0.00 0.53 0.00 0.72 -1.51 0.00 0.00 179.97 179.71 1n3s n HIS 211 N -4.77 0.21 0.07 2.20 8.25 -1.11 -3.29 115.22 116.79 1n3s n HIS 211 Ca -0.07 -0.11 -0.16 0.00 -0.26 0.00 0.00 57.72 57.12 1n3s n HIS 211 Cb 0.26 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.23 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 1.75 0.24 0.00 -0.41 5.08 -1.51 -3.31 114.58 116.43 1n3s h GLU 212 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1n3s h GLU 212 Cb 0.39 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1n3s h GLU 212 CO 0.00 1.12 -0.10 0.35 -1.00 0.00 0.00 179.01 179.38 1n3s h PHE 213 N 0.07 0.00 -0.42 4.33 3.57 -1.61 -3.35 116.94 119.52 1n3s h PHE 213 Ca -0.21 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.41 1n3s h PHE 213 Cb 2.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.72 1n3s h PHE 213 CO 0.06 0.00 0.81 -0.07 -2.23 0.00 0.00 178.31 176.88 1n3s h LEU 214 N -0.57 0.00 0.09 0.59 3.38 -1.76 0.12 115.31 117.17 1n3s h LEU 214 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1n3s h LEU 214 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1n3s h LEU 214 CO 0.00 0.00 -1.21 -0.09 0.09 0.00 0.00 178.44 177.23 1n3s h ARG 215 N 0.00 0.19 -0.94 1.13 2.43 -1.76 -3.32 114.38 112.10 1n3s h ARG 215 Ca 0.20 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1n3s h ARG 215 Cb 1.81 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 1n3s h ARG 215 CO -0.00 1.15 0.01 0.00 -1.51 0.00 0.00 179.97 179.62 1n3s n ALA 216 N -2.98 2.75 -2.87 2.80 0.00 0.39 -4.81 120.51 115.80 1n3s n ALA 216 Ca -0.24 -0.33 -0.35 0.00 0.00 0.00 0.00 53.44 52.53 1n3s n ALA 216 Cb 0.82 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 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 -1.20 5.34 -0.14 0.00 1.01 -0.91 -4.76 120.40 119.74 1n3s s VAL 217 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 1n3s s VAL 217 Cb 0.07 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1n3s s VAL 217 CO 0.02 0.47 0.17 -1.14 0.00 0.00 0.00 175.10 174.63 1n3s n ARG 218 N 1.48 -0.84 -4.51 2.72 0.00 -1.26 -5.03 116.66 109.22 1n3s n ARG 218 Ca -0.15 1.07 -0.30 0.00 -0.00 0.00 0.00 57.85 58.46 1n3s n ARG 218 Cb 0.54 -2.82 -0.12 0.00 0.00 0.00 0.00 32.46 30.05 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 -1.40 2.53 -0.24 -0.14 3.76 -1.26 -5.12 115.29 113.41 1n3s s HIS 219 Ca 0.07 -0.27 0.03 0.00 -0.15 0.00 0.00 55.06 54.74 1n3s s HIS 219 Cb -0.02 -1.40 0.05 0.00 1.11 0.00 0.00 32.58 32.32 1n3s s HIS 219 CO 0.25 0.31 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.74 1n3s s HIS 220 N -1.02 3.15 0.00 1.40 2.46 -1.26 -4.89 115.29 115.14 1n3s s HIS 220 Ca 0.16 -2.17 0.00 0.00 0.47 0.00 0.00 55.06 53.52 1n3s s HIS 220 Cb -0.10 -1.92 0.00 0.00 -0.13 0.00 0.00 32.58 30.42 1n3s s HIS 220 CO 0.07 -0.86 0.00 0.09 -2.47 0.00 0.00 174.74 171.57