#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3r s SER 2 N 0.00 0.22 0.00 3.54 0.15 -1.26 -5.16 113.70 111.20 1n3r s SER 2 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1n3r s SER 2 Cb 0.00 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1n3r s SER 2 CO 0.00 -0.03 0.00 0.18 1.20 0.00 0.00 173.24 174.59 1n3r n LEU 3 N 3.49 0.00 -4.50 3.45 4.77 -1.26 -5.03 117.00 117.92 1n3r n LEU 3 Ca -0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.56 1n3r n LEU 3 Cb 0.56 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1n3r n LEU 3 CO 0.24 0.00 -0.33 -0.55 -1.33 0.00 0.00 177.39 175.42 1n3r s SER 4 N 0.00 3.10 -0.04 -1.43 0.15 -1.26 -5.07 113.70 109.14 1n3r s SER 4 Ca 0.00 -1.27 -0.25 0.00 0.70 0.00 0.00 55.95 55.13 1n3r s SER 4 Cb 0.00 -0.23 -0.20 0.00 -1.71 0.00 0.00 66.02 63.88 1n3r s SER 4 CO 0.00 -0.40 1.10 0.11 1.20 0.00 0.00 173.24 175.25 1n3r h LYS 5 N 2.08 -0.08 -0.56 5.44 1.57 -2.00 -2.25 116.57 120.77 1n3r h LYS 5 Ca -0.41 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1n3r h LYS 5 Cb 1.24 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1n3r h LYS 5 CO 0.71 0.44 0.31 0.93 -0.57 0.00 0.00 179.45 181.28 1n3r h GLU 6 N -0.66 0.78 -0.09 3.15 3.07 -1.98 -2.24 114.58 116.60 1n3r h GLU 6 Ca -0.01 -0.09 0.04 0.00 -0.50 0.00 0.00 59.36 58.81 1n3r h GLU 6 Cb 0.56 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.25 1n3r h GLU 6 CO 0.01 0.59 -0.38 0.00 -1.40 0.00 0.00 179.01 177.83 1n3r h ALA 7 N 1.14 -0.53 0.01 3.43 0.00 -1.93 -1.40 119.26 119.97 1n3r h ALA 7 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1n3r h ALA 7 Cb 0.03 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1n3r h ALA 7 CO -0.03 -0.88 -0.41 0.00 0.00 0.00 0.00 179.25 177.93 1n3r h ALA 8 N 0.19 -0.64 -0.61 0.00 0.00 -1.14 -0.51 119.26 116.55 1n3r h ALA 8 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1n3r h ALA 8 Cb 0.60 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 1n3r h ALA 8 CO -0.36 -0.94 -0.10 -0.07 0.00 0.00 0.00 179.25 177.78 1n3r h LEU 9 N -0.56 -0.47 0.69 0.00 3.38 -1.04 -0.01 115.31 117.29 1n3r h LEU 9 Ca 0.05 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1n3r h LEU 9 Cb 0.64 0.34 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1n3r h LEU 9 CO -0.31 -0.18 -0.33 0.58 0.09 0.00 0.00 178.44 178.30 1n3r h VAL 10 N 0.03 0.00 -0.99 1.22 2.07 -0.80 -1.56 116.25 116.22 1n3r h VAL 10 Ca 0.30 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.99 1n3r h VAL 10 Cb 0.48 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.07 1n3r h VAL 10 CO -0.60 0.00 -0.28 -0.74 0.02 0.00 0.00 177.57 175.97 1n3r h HIS 11 N -0.95 -0.66 -0.84 1.57 -0.00 -0.66 0.77 115.15 114.38 1n3r h HIS 11 Ca -0.09 0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1n3r h HIS 11 Cb 0.71 0.44 -0.04 0.00 -0.00 0.00 0.00 27.41 28.52 1n3r h HIS 11 CO 0.07 -0.42 0.45 0.93 -0.00 0.00 0.00 177.93 178.96 1n3r h GLU 12 N -0.00 1.17 -0.67 5.26 5.08 -0.91 -0.70 114.58 123.81 1n3r h GLU 12 Ca 0.44 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1n3r h GLU 12 Cb 0.69 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1n3r h GLU 12 CO -1.01 0.87 0.43 0.00 -1.00 0.00 0.00 179.01 178.30 1n3r h ALA 13 N 1.32 0.85 -0.20 3.43 0.00 0.16 0.28 119.26 125.09 1n3r h ALA 13 Ca 0.30 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.95 1n3r h ALA 13 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1n3r h ALA 13 CO -0.05 0.30 -0.64 -0.07 0.00 0.00 0.00 179.25 178.79 1n3r h LEU 14 N 0.91 0.82 -0.18 0.00 3.38 -0.88 -3.07 115.31 116.30 1n3r h LEU 14 Ca 0.24 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1n3r h LEU 14 Cb -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1n3r h LEU 14 CO -0.05 1.26 0.08 0.58 0.09 0.00 0.00 178.44 180.39 1n3r h VAL 15 N 0.53 1.15 0.00 1.22 2.07 -0.75 -0.50 116.25 119.97 1n3r h VAL 15 Ca -0.01 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1n3r h VAL 15 Cb 1.23 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1n3r h VAL 15 CO 0.13 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1n3r n ALA 16 N -2.23 1.34 -0.31 1.67 0.00 0.94 -1.20 120.51 120.72 1n3r n ALA 16 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n3r n ALA 16 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1n3r n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n3r n ARG 17 N -1.18 -0.46 -3.36 0.00 3.00 -0.42 -5.02 116.66 109.22 1n3r n ARG 17 Ca 0.00 -0.42 -0.19 0.00 -0.01 0.00 0.00 57.85 57.24 1n3r n ARG 17 Cb 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 32.46 31.68 1n3r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3r n GLY 18 N -0.03 -0.26 0.06 -0.13 0.00 -0.33 -4.89 105.19 99.62 1n3r n GLY 18 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1n3r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 19 N -4.07 0.60 -4.75 0.99 4.77 -0.47 -5.01 117.00 109.06 1n3r n LEU 19 Ca -0.03 -0.66 -0.41 0.00 -0.03 0.00 0.00 56.01 54.88 1n3r n LEU 19 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1n3r n LEU 19 CO 0.52 0.13 1.00 -1.61 -1.33 0.00 0.00 177.39 176.11 1n3r s GLU 20 N -1.10 4.37 0.13 3.23 0.41 -1.24 -4.87 118.70 119.63 1n3r s GLU 20 Ca 0.03 2.14 -0.32 0.00 -0.41 0.00 0.00 54.97 56.41 1n3r s GLU 20 Cb 0.04 -3.14 -0.12 0.00 -1.78 0.00 0.00 34.13 29.13 1n3r s GLU 20 CO 0.14 -0.25 1.78 2.41 -0.49 0.00 0.00 175.26 178.86 1n3r n THR 21 N 1.96 0.25 -1.41 3.63 -1.04 -1.26 -4.80 114.28 111.62 1n3r n THR 21 Ca 0.04 -0.05 -0.59 0.00 -2.04 0.00 0.00 64.05 61.41 1n3r n THR 21 Cb 0.42 -1.99 -0.10 0.00 -1.82 0.00 0.00 70.33 66.84 1n3r n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3r n PRO 22 N 5.04 0.30 -4.20 -2.82 -0.02 -1.26 -4.96 135.00 127.09 1n3r n PRO 22 Ca 0.18 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 1n3r n PRO 22 Cb 0.35 -1.73 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1n3r n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3r s LEU 23 N 5.55 2.46 -0.06 2.45 1.02 -1.26 -5.16 118.68 123.68 1n3r s LEU 23 Ca 1.14 -1.03 0.04 0.00 0.02 0.00 0.00 54.13 54.29 1n3r s LEU 23 Cb -1.34 -0.13 -0.02 0.00 0.02 0.00 0.00 46.19 44.72 1n3r s LEU 23 CO 0.65 -0.45 -0.17 -0.13 0.02 0.00 0.00 176.35 176.27 1n3r s ARG 24 N -3.83 2.58 -0.39 1.70 0.52 -1.26 -5.07 118.95 113.21 1n3r s ARG 24 Ca 0.15 -0.75 -0.44 0.00 -0.52 0.00 0.00 55.73 54.16 1n3r s ARG 24 Cb 0.05 -2.34 -0.19 0.00 0.52 0.00 0.00 34.95 32.99 1n3r s ARG 24 CO -0.02 0.53 1.58 -2.30 0.02 0.00 0.00 175.30 175.11 1n3r n PRO 25 N 2.58 0.32 -0.36 3.54 -0.02 -1.26 -4.79 135.00 135.02 1n3r n PRO 25 Ca -0.17 0.12 0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1n3r n PRO 25 Cb 0.52 -1.67 0.72 0.00 -0.02 0.00 0.00 33.50 33.05 1n3r n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3r h PRO 26 N 5.37 0.06 0.00 0.52 0.11 -2.07 -3.45 132.00 132.53 1n3r h PRO 26 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1n3r h PRO 26 Cb 1.36 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1n3r h PRO 26 CO 0.94 0.04 0.00 0.28 -0.21 0.00 0.00 178.00 179.05 1n3r n VAL 27 N -4.25 0.00 -4.30 3.15 0.31 -1.26 -4.60 118.33 107.39 1n3r n VAL 27 Ca 0.27 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.27 1n3r n VAL 27 Cb 1.26 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 34.10 1n3r n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3r s HIS 28 N 0.00 3.12 -1.01 3.52 -3.43 -1.26 -5.04 115.29 111.19 1n3r s HIS 28 Ca 0.00 0.13 -0.23 0.00 -0.80 0.00 0.00 55.06 54.16 1n3r s HIS 28 Cb 0.00 -1.72 0.06 0.00 -1.43 0.00 0.00 32.58 29.49 1n3r s HIS 28 CO 0.00 0.47 1.41 -1.21 -2.00 0.00 0.00 174.74 173.42 1n3r s GLU 29 N -1.35 3.59 0.21 -0.38 2.02 -1.26 -4.97 118.70 116.55 1n3r s GLU 29 Ca 0.18 -1.19 -0.31 0.00 0.02 0.00 0.00 54.97 53.67 1n3r s GLU 29 Cb -0.11 -5.31 -0.10 0.00 0.10 0.00 0.00 34.13 28.70 1n3r s GLU 29 CO 0.08 -2.16 1.56 1.41 0.02 0.00 0.00 175.26 176.17 1n3r s MET 30 N 4.73 4.20 -0.33 1.61 -2.45 -1.26 -4.84 119.30 120.96 1n3r s MET 30 Ca 0.45 2.41 -0.36 0.00 -1.25 0.00 0.00 55.69 56.93 1n3r s MET 30 Cb -0.01 -3.12 -0.12 0.00 1.25 0.00 0.00 34.83 32.84 1n3r s MET 30 CO -0.10 -0.58 2.12 -3.47 1.05 0.00 0.00 175.02 174.04 1n3r n ASP 31 N 3.32 2.16 -0.27 1.11 2.03 -1.26 -4.81 116.55 118.83 1n3r n ASP 31 Ca 0.12 0.53 0.09 0.00 0.52 0.00 0.00 54.79 56.05 1n3r n ASP 31 Cb 0.38 -1.24 0.23 0.00 -0.72 0.00 0.00 41.12 39.78 1n3r n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3r h ASN 32 N 11.43 -0.00 -0.98 1.67 -1.24 -2.00 0.30 115.58 124.77 1n3r h ASN 32 Ca -0.30 0.17 0.07 0.00 0.71 0.00 0.00 56.30 56.95 1n3r h ASN 32 Cb 1.32 0.23 -0.07 0.00 0.73 0.00 0.00 38.32 40.54 1n3r h ASN 32 CO 1.01 -0.09 0.63 -0.33 -1.29 0.00 0.00 177.43 177.36 1n3r h GLU 33 N 0.25 1.09 0.00 6.67 5.08 -2.01 0.34 114.58 125.98 1n3r h GLU 33 Ca 0.48 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.71 1n3r h GLU 33 Cb 0.88 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1n3r h GLU 33 CO -0.58 0.72 -0.28 1.15 -1.00 0.00 0.00 179.01 179.02 1n3r h THR 34 N 1.12 0.75 0.20 1.13 2.02 -0.83 -2.85 112.91 114.45 1n3r h THR 34 Ca 0.43 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1n3r h THR 34 Cb 0.20 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1n3r h THR 34 CO -0.17 0.28 -0.09 -0.09 0.37 0.00 0.00 175.52 175.81 1n3r h ARG 35 N 0.00 -0.25 0.44 6.66 2.43 0.49 -2.94 114.38 121.21 1n3r h ARG 35 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1n3r h ARG 35 Cb 0.74 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 1n3r h ARG 35 CO 0.04 0.07 -0.42 0.87 -1.51 0.00 0.00 179.97 179.01 1n3r h LYS 36 N -0.59 -0.83 -1.23 0.20 1.57 -1.42 -1.88 116.57 112.40 1n3r h LYS 36 Ca -0.03 0.06 0.45 0.00 -1.87 0.00 0.00 60.65 59.26 1n3r h LYS 36 Cb 0.44 0.19 -0.15 0.00 0.08 0.00 0.00 32.23 32.78 1n3r h LYS 36 CO 0.04 -0.55 0.75 -1.13 -0.57 0.00 0.00 179.45 178.00 1n3r n SER 37 N -4.98 0.26 -0.03 0.86 3.41 -1.08 0.13 113.62 112.19 1n3r n SER 37 Ca -0.10 1.46 -0.14 0.00 -0.26 0.00 0.00 58.87 59.83 1n3r n SER 37 Cb 0.39 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 1n3r n SER 37 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1n3r h LEU 38 N 0.00 0.23 -0.02 1.04 3.38 -1.23 -2.64 115.31 116.07 1n3r h LEU 38 Ca 0.86 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1n3r h LEU 38 Cb 2.59 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 43.27 1n3r h LEU 38 CO -0.57 0.84 0.01 0.40 0.09 0.00 0.00 178.44 179.21 1n3r h ILE 39 N -0.37 1.00 -0.99 1.22 2.04 0.18 -1.65 117.51 118.95 1n3r h ILE 39 Ca -0.01 -0.01 0.21 0.00 1.00 0.00 0.00 64.86 66.05 1n3r h ILE 39 Cb 0.83 0.98 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 1n3r h ILE 39 CO 0.04 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.81 1n3r h ALA 40 N 1.01 1.91 -0.32 1.87 0.00 0.02 0.39 119.26 124.14 1n3r h ALA 40 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1n3r h ALA 40 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n3r h ALA 40 CO -0.01 -0.27 0.08 0.78 0.00 0.00 0.00 179.25 179.83 1n3r h GLY 41 N 0.60 0.55 0.80 0.00 0.00 -0.94 -1.48 103.07 102.60 1n3r h GLY 41 Ca 0.56 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1n3r h GLY 41 CO -0.32 0.32 0.52 0.45 0.00 0.00 0.00 176.54 177.51 1n3r h HIS 42 N 0.36 0.98 -0.64 5.60 -0.00 0.52 -1.38 115.15 120.58 1n3r h HIS 42 Ca 0.10 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1n3r h HIS 42 Cb 0.30 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1n3r h HIS 42 CO 0.02 0.53 0.39 0.52 -0.00 0.00 0.00 177.93 179.39 1n3r h MET 43 N 0.99 0.87 -0.25 2.45 2.86 -0.57 -1.86 114.93 119.43 1n3r h MET 43 Ca 0.35 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1n3r h MET 43 Cb 0.08 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 1n3r h MET 43 CO -0.14 0.62 -0.17 1.15 1.06 0.00 0.00 176.91 179.43 1n3r h THR 44 N 0.87 0.52 -0.94 2.22 2.02 -0.23 0.42 112.91 117.80 1n3r h THR 44 Ca 0.23 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.52 1n3r h THR 44 Cb -0.03 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 66.82 1n3r h THR 44 CO -0.04 0.00 0.57 -0.33 0.37 0.00 0.00 175.52 176.09 1n3r h GLU 45 N -0.15 0.90 -0.16 6.66 4.39 -0.63 -0.49 114.58 125.09 1n3r h GLU 45 Ca 0.14 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1n3r h GLU 45 Cb 0.36 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1n3r h GLU 45 CO -0.35 0.59 -0.20 0.82 -1.16 0.00 0.00 179.01 178.72 1n3r h ILE 46 N 0.92 1.35 0.00 3.13 2.04 -0.54 -1.73 117.51 122.69 1n3r h ILE 46 Ca 0.46 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1n3r h ILE 46 Cb 0.44 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1n3r h ILE 46 CO -0.26 0.41 -0.02 0.24 0.00 0.00 0.00 178.15 178.52 1n3r h MET 47 N 0.04 0.00 -0.00 2.37 2.86 -0.34 -0.78 114.93 119.07 1n3r h MET 47 Ca 0.02 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.43 1n3r h MET 47 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1n3r h MET 47 CO 0.05 0.02 -0.95 1.96 1.06 0.00 0.00 176.91 179.05 1n3r h GLN 48 N 0.00 0.44 0.00 1.72 4.20 -0.93 -2.16 115.11 118.38 1n3r h GLN 48 Ca -0.00 -0.48 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1n3r h GLN 48 Cb 0.04 0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1n3r h GLN 48 CO 0.00 1.13 0.00 1.28 -0.67 0.00 0.00 178.83 180.57 1n3r n LEU 49 N -3.76 0.00 -0.46 1.46 4.77 -0.35 -0.70 117.00 117.96 1n3r n LEU 49 Ca -0.07 0.12 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1n3r n LEU 49 Cb 0.84 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.88 1n3r n LEU 49 CO 0.52 -0.06 0.48 0.18 -1.33 0.00 0.00 177.39 177.17 1n3r n LEU 50 N -1.12 2.16 -3.31 2.23 4.77 -0.88 -5.01 117.00 115.84 1n3r n LEU 50 Ca 0.10 -1.31 -0.16 0.00 -0.03 0.00 0.00 56.01 54.61 1n3r n LEU 50 Cb 0.09 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1n3r n LEU 50 CO 0.10 0.47 0.05 0.59 -1.33 0.00 0.00 177.39 177.27 1n3r n ASN 51 N 0.53 -5.29 -4.19 -1.43 3.02 0.12 -4.99 115.26 103.03 1n3r n ASN 51 Ca 0.07 -0.69 -0.38 0.00 -0.03 0.00 0.00 54.58 53.55 1n3r n ASN 51 Cb 0.30 -5.15 -0.11 0.00 -0.61 0.00 0.00 39.78 34.21 1n3r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3r s LEU 52 N -5.69 5.02 -0.73 3.41 1.43 -0.85 -5.03 118.68 116.23 1n3r s LEU 52 Ca 0.33 -1.69 -0.27 0.00 -1.03 0.00 0.00 54.13 51.46 1n3r s LEU 52 Cb -0.04 -1.88 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 1n3r s LEU 52 CO 0.74 -0.50 2.51 -0.67 0.23 0.00 0.00 176.35 178.66 1n3r n ASP 53 N 4.75 1.33 0.20 2.29 2.03 -1.26 -4.73 116.55 121.15 1n3r n ASP 53 Ca -0.07 -0.32 0.14 0.00 0.52 0.00 0.00 54.79 55.05 1n3r n ASP 53 Cb 0.42 -1.29 0.42 0.00 -0.72 0.00 0.00 41.12 39.95 1n3r n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1n3r h LEU 54 N 16.56 0.00 -2.07 -2.67 3.38 -1.96 -3.06 115.31 125.49 1n3r h LEU 54 Ca -0.14 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.93 1n3r h LEU 54 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1n3r h LEU 54 CO 1.26 0.00 0.28 0.00 0.09 0.00 0.00 178.44 180.07 1n3r h ALA 55 N 2.15 2.17 -2.47 1.53 0.00 -1.97 -3.32 119.26 117.36 1n3r h ALA 55 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 1n3r h ALA 55 Cb 0.71 0.03 0.19 0.00 0.00 0.00 0.00 17.79 18.71 1n3r h ALA 55 CO 0.00 -0.46 0.15 -3.47 0.00 0.00 0.00 179.25 175.47 1n3r n ASP 56 N -4.14 0.35 0.11 0.00 2.03 -1.16 -4.93 116.55 108.81 1n3r n ASP 56 Ca 0.05 0.52 0.12 0.00 0.52 0.00 0.00 54.79 56.01 1n3r n ASP 56 Cb 0.45 -1.45 0.28 0.00 -0.72 0.00 0.00 41.12 39.69 1n3r n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1n3r h ASP 57 N -1.17 0.00 0.00 1.67 2.03 -1.91 -3.08 116.42 113.96 1n3r h ASP 57 Ca -0.45 -0.06 -0.23 0.00 -0.73 0.00 0.00 57.03 55.55 1n3r h ASP 57 Cb 1.29 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.76 1n3r h ASP 57 CO 0.43 0.03 -1.32 -0.24 -1.03 0.00 0.00 179.24 177.12 1n3r n SER 58 N -2.36 1.86 0.14 4.15 2.88 -1.26 -4.28 113.62 114.75 1n3r n SER 58 Ca 0.04 0.43 0.13 0.00 -1.33 0.00 0.00 58.87 58.14 1n3r n SER 58 Cb 0.45 -0.94 0.45 0.00 -0.75 0.00 0.00 64.21 63.42 1n3r n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3r h LEU 59 N -1.00 0.00 -0.78 2.46 3.38 -1.88 -3.31 115.31 114.18 1n3r h LEU 59 Ca -0.35 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.68 1n3r h LEU 59 Cb 1.27 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 1n3r h LEU 59 CO -0.21 0.00 0.46 -0.03 0.09 0.00 0.00 178.44 178.75 1n3r h MET 60 N 0.00 0.81 -0.01 1.13 4.05 -1.64 -2.39 114.93 116.88 1n3r h MET 60 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1n3r h MET 60 Cb 0.58 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1n3r h MET 60 CO 0.00 0.54 -0.10 0.39 0.23 0.00 0.00 176.91 177.97 1n3r n GLU 61 N -4.70 1.39 -0.12 0.39 -0.58 -1.25 -4.31 120.64 111.47 1n3r n GLU 61 Ca 0.11 -0.83 -0.11 0.00 -0.42 0.00 0.00 57.16 55.91 1n3r n GLU 61 Cb 0.19 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1n3r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3r h THR 62 N 2.03 1.26 -0.80 2.62 2.02 -1.59 -1.60 112.91 116.86 1n3r h THR 62 Ca 0.00 -1.01 0.15 0.00 0.77 0.00 0.00 66.41 66.32 1n3r h THR 62 Cb 0.52 1.22 -0.10 0.00 -1.74 0.00 0.00 68.15 68.05 1n3r h THR 62 CO 0.00 0.34 0.35 -0.65 0.37 0.00 0.00 175.52 175.93 1n3r h PRO 63 N 0.44 0.48 0.19 6.66 0.11 -1.75 0.09 132.00 138.21 1n3r h PRO 63 Ca 0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1n3r h PRO 63 Cb 0.48 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1n3r h PRO 63 CO 0.02 0.32 -0.09 1.25 -0.21 0.00 0.00 178.00 179.29 1n3r h HIS 64 N 0.49 -0.23 -0.26 0.65 -0.00 -1.79 -2.99 115.15 111.02 1n3r h HIS 64 Ca 0.45 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.87 1n3r h HIS 64 Cb 0.69 0.08 -0.08 0.00 -0.00 0.00 0.00 27.41 28.10 1n3r h HIS 64 CO -0.14 0.01 -0.41 0.00 -0.00 0.00 0.00 177.93 177.39 1n3r h ARG 65 N -0.44 -0.38 -0.81 5.26 3.08 -0.23 -0.91 114.38 119.94 1n3r h ARG 65 Ca -0.03 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1n3r h ARG 65 Cb 0.34 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1n3r h ARG 65 CO 0.04 -0.26 0.54 0.82 -1.07 0.00 0.00 179.97 180.05 1n3r h ILE 66 N -0.40 0.72 -0.10 2.04 2.04 -1.05 0.14 117.51 120.91 1n3r h ILE 66 Ca 0.11 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1n3r h ILE 66 Cb 0.60 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1n3r h ILE 66 CO -0.47 0.06 -0.13 0.00 0.00 0.00 0.00 178.15 177.61 1n3r h ALA 67 N 1.63 0.15 -0.03 1.87 0.00 -1.05 -2.32 119.26 119.52 1n3r h ALA 67 Ca 0.41 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1n3r h ALA 67 Cb 1.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n3r h ALA 67 CO -0.12 0.03 -0.11 -0.22 0.00 0.00 0.00 179.25 178.82 1n3r h LYS 68 N -0.16 0.05 -0.13 0.00 3.64 -0.15 -0.22 116.57 119.60 1n3r h LYS 68 Ca 0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1n3r h LYS 68 Cb 0.68 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1n3r h LYS 68 CO 0.03 0.16 -0.22 1.98 -2.27 0.00 0.00 179.45 179.13 1n3r h MET 69 N 0.05 0.38 -0.38 1.90 4.05 -0.69 -1.55 114.93 118.69 1n3r h MET 69 Ca 0.01 -0.23 -0.13 0.00 -0.28 0.00 0.00 59.70 59.06 1n3r h MET 69 Cb 0.23 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1n3r h MET 69 CO 0.02 0.82 -0.29 1.88 0.23 0.00 0.00 176.91 179.57 1n3r h TYR 70 N -0.03 1.02 0.22 1.39 0.05 -0.99 -1.61 116.97 117.02 1n3r h TYR 70 Ca 0.01 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 1n3r h TYR 70 Cb 0.80 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1n3r h TYR 70 CO 0.10 1.08 -0.10 0.28 -1.05 0.00 0.00 178.16 178.46 1n3r h VAL 71 N 0.66 0.00 -0.55 -2.88 2.07 -1.12 -3.35 116.25 111.09 1n3r h VAL 71 Ca 0.07 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1n3r h VAL 71 Cb 0.87 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1n3r h VAL 71 CO 0.08 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.14 1n3r n ASP 72 N -4.68 5.09 0.00 0.57 8.00 -0.59 -4.50 116.55 120.45 1n3r n ASP 72 Ca -0.04 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1n3r n ASP 72 Cb 0.12 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1n3r n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3r n GLU 73 N 0.61 0.00 0.00 -1.24 1.02 -0.79 -4.85 120.64 115.39 1n3r n GLU 73 Ca 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.47 1n3r n GLU 73 Cb 1.04 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.87 1n3r n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1n3r n ILE 74 N 0.00 0.33 -0.06 -3.67 -5.35 -0.67 -2.56 119.36 107.38 1n3r n ILE 74 Ca 0.00 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.56 1n3r n ILE 74 Cb 0.00 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 1n3r n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n3r n PHE 75 N -1.16 0.00 -0.01 4.28 3.72 -1.25 -2.42 117.46 120.62 1n3r n PHE 75 Ca 0.09 -0.29 0.23 0.00 -0.05 0.00 0.00 57.45 57.44 1n3r n PHE 75 Cb 0.09 -0.03 0.71 0.00 -0.94 0.00 0.00 39.48 39.31 1n3r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3r h SER 76 N 0.00 0.00 0.19 4.37 4.64 -1.45 0.35 113.55 121.66 1n3r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3r h SER 76 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1n3r h SER 76 CO 0.00 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.19 1n3r h GLY 77 N 0.00 0.00 2.00 -0.77 0.00 -0.51 -0.63 103.07 103.16 1n3r h GLY 77 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1n3r h GLY 77 CO -0.00 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 177.62 1n3r h LEU 78 N 0.00 0.00 -9.10 3.11 3.38 -0.35 -3.41 115.31 108.94 1n3r h LEU 78 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1n3r h LEU 78 Cb 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.70 1n3r h LEU 78 CO 0.00 0.33 -0.49 -0.62 0.09 0.00 0.00 178.44 177.75 1n3r s ASP 79 N -6.94 6.13 0.00 -0.43 2.15 -0.24 -4.97 116.67 112.36 1n3r s ASP 79 Ca -0.03 0.13 0.22 0.00 0.43 0.00 0.00 52.55 53.30 1n3r s ASP 79 Cb 0.15 -2.11 1.02 0.00 -0.30 0.00 0.00 42.92 41.68 1n3r s ASP 79 CO 0.72 0.07 1.70 -1.22 -0.17 0.00 0.00 175.17 176.27 1n3r n TYR 80 N 4.24 0.00 0.32 -5.34 4.02 -1.26 -2.48 117.16 116.66 1n3r n TYR 80 Ca -0.15 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.89 1n3r n TYR 80 Cb 0.52 -0.39 0.65 0.00 -0.02 0.00 0.00 39.34 40.09 1n3r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r h ALA 81 N 2.89 1.00 -0.01 -0.72 0.00 -1.93 -1.48 119.26 119.01 1n3r h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n3r h ALA 81 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n3r h ALA 81 CO 0.00 0.00 -0.25 0.09 0.00 0.00 0.00 179.25 179.09 1n3r n ASN 82 N -2.63 1.36 -4.64 0.00 3.02 -1.04 -4.94 115.26 106.39 1n3r n ASN 82 Ca 0.01 -1.14 -0.45 0.00 -0.03 0.00 0.00 54.58 52.97 1n3r n ASN 82 Cb 0.22 0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1n3r n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n3r n PHE 83 N -0.34 1.79 -2.16 3.10 7.35 -0.56 -4.89 117.46 121.76 1n3r n PHE 83 Ca 0.13 0.57 -0.39 0.00 -0.76 0.00 0.00 57.45 56.99 1n3r n PHE 83 Cb 0.38 -2.36 -0.01 0.00 0.35 0.00 0.00 39.48 37.83 1n3r n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1n3r s PRO 84 N -0.93 4.07 -0.01 -7.13 0.04 -1.26 -4.95 135.00 124.83 1n3r s PRO 84 Ca 0.65 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 1n3r s PRO 84 Cb -0.69 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 1n3r s PRO 84 CO 0.55 -0.37 1.67 0.15 0.04 0.00 0.00 177.00 179.04 1n3r s LYS 85 N -2.17 4.19 -0.03 4.56 1.02 -1.26 -4.97 119.74 121.07 1n3r s LYS 85 Ca 0.55 2.26 -0.07 0.00 0.02 0.00 0.00 55.97 58.74 1n3r s LYS 85 Cb -0.36 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 1n3r s LYS 85 CO 0.46 -0.81 0.23 0.42 -0.92 0.00 0.00 175.35 174.73 1n3r s ILE 86 N 3.60 5.36 0.01 2.17 -1.09 -1.26 -4.94 121.20 125.04 1n3r s ILE 86 Ca 0.75 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 1n3r s ILE 86 Cb -0.36 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1n3r s ILE 86 CO 0.31 0.46 -0.01 0.42 -1.23 0.00 0.00 174.94 174.89 1n3r s THR 87 N -1.20 0.05 0.12 2.92 -4.23 -1.26 -5.12 115.64 106.91 1n3r s THR 87 Ca 0.23 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1n3r s THR 87 Cb -0.13 -0.09 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1n3r s THR 87 CO 0.13 -0.14 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.21 1n3r s LEU 88 N -0.42 2.49 0.11 4.79 1.43 -1.26 -2.98 118.68 122.83 1n3r s LEU 88 Ca -0.04 -0.95 0.06 0.00 -1.03 0.00 0.00 54.13 52.16 1n3r s LEU 88 Cb -0.03 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 1n3r s LEU 88 CO -0.00 -0.34 -0.15 0.27 0.23 0.00 0.00 176.35 176.35 1n3r s ILE 89 N -3.14 1.35 0.21 -0.59 -4.36 -0.47 -4.97 121.20 109.24 1n3r s ILE 89 Ca 0.12 -1.57 -0.32 0.00 -0.26 0.00 0.00 60.65 58.62 1n3r s ILE 89 Cb 0.02 -1.41 -0.13 0.00 1.25 0.00 0.00 42.46 42.19 1n3r s ILE 89 CO -0.01 -0.29 1.56 1.21 0.24 0.00 0.00 174.94 177.65 1n3r n GLU 90 N 0.84 2.31 -1.16 0.37 2.13 -1.26 -1.24 120.64 122.63 1n3r n GLU 90 Ca -0.18 0.83 -0.34 0.00 0.66 0.00 0.00 57.16 58.13 1n3r n GLU 90 Cb 0.56 -2.58 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 1n3r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3r n ASN 91 N 2.96 5.90 0.06 4.31 5.15 -0.93 -4.51 115.26 128.20 1n3r n ASN 91 Ca 0.14 -2.54 0.01 0.00 -0.60 0.00 0.00 54.58 51.59 1n3r n ASN 91 Cb 0.32 -1.36 0.34 0.00 -0.53 0.00 0.00 39.78 38.54 1n3r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3r h LYS 92 N 5.97 0.37 0.00 1.20 1.57 -1.89 -1.91 116.57 121.88 1n3r h LYS 92 Ca 0.64 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1n3r h LYS 92 Cb 0.35 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1n3r h LYS 92 CO 1.71 0.47 0.00 -1.33 -0.57 0.00 0.00 179.45 179.74 1n3r n MET 93 N -4.26 0.07 -3.67 3.15 2.81 -1.26 -4.87 117.12 109.09 1n3r n MET 93 Ca 0.00 0.39 -0.25 0.00 -1.81 0.00 0.00 57.70 56.03 1n3r n MET 93 Cb 0.27 -1.66 0.06 0.00 -0.71 0.00 0.00 33.22 31.19 1n3r n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3r n LYS 94 N -1.80 -7.00 -1.78 0.03 4.01 -0.72 -4.88 118.16 106.03 1n3r n LYS 94 Ca 0.02 0.76 -0.43 0.00 -0.51 0.00 0.00 58.31 58.15 1n3r n LYS 94 Cb 0.14 -5.74 -0.03 0.00 -0.51 0.00 0.00 35.03 28.90 1n3r n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3r s VAL 95 N -3.34 3.21 -0.21 -0.18 1.01 -1.26 -4.83 120.40 114.80 1n3r s VAL 95 Ca 0.51 0.21 0.14 0.00 0.00 0.00 0.00 61.98 62.85 1n3r s VAL 95 Cb -0.24 -3.28 0.47 0.00 0.00 0.00 0.00 36.38 33.33 1n3r s VAL 95 CO 0.76 -0.18 1.37 -0.90 0.00 0.00 0.00 175.10 176.15 1n3r n ASP 96 N 11.14 3.01 -4.48 3.32 5.75 -1.26 -4.20 116.55 129.83 1n3r n ASP 96 Ca 0.27 -3.33 -0.23 0.00 -0.01 0.00 0.00 54.79 51.49 1n3r n ASP 96 Cb 0.46 -0.55 -0.11 0.00 -1.03 0.00 0.00 41.12 39.89 1n3r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3r s GLU 97 N -3.00 1.69 0.33 0.11 0.41 -1.26 -5.00 118.70 111.98 1n3r s GLU 97 Ca 0.41 -1.91 -0.26 0.00 -0.41 0.00 0.00 54.97 52.79 1n3r s GLU 97 Cb 0.35 -1.20 -0.10 0.00 -1.78 0.00 0.00 34.13 31.41 1n3r s GLU 97 CO 0.04 -0.05 0.99 0.00 -0.49 0.00 0.00 175.26 175.75 1n3r s MET 98 N -3.77 4.52 -0.24 1.61 0.23 -1.26 -4.29 119.30 116.10 1n3r s MET 98 Ca 0.33 1.45 -0.06 0.00 -1.03 0.00 0.00 55.69 56.39 1n3r s MET 98 Cb 0.07 -2.85 -0.02 0.00 -1.53 0.00 0.00 34.83 30.50 1n3r s MET 98 CO 0.15 0.20 0.02 0.08 -2.03 0.00 0.00 175.02 173.44 1n3r s VAL 99 N -1.52 3.88 -0.08 5.16 1.01 0.23 -4.94 120.40 124.15 1n3r s VAL 99 Ca 0.50 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1n3r s VAL 99 Cb -0.22 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1n3r s VAL 99 CO 0.28 0.35 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 1n3r s THR 100 N 1.55 2.64 -0.20 3.92 2.01 -1.26 -1.77 115.64 122.53 1n3r s THR 100 Ca 0.06 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1n3r s THR 100 Cb -0.15 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.33 1n3r s THR 100 CO 0.01 0.56 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 1n3r s VAL 101 N -0.14 2.73 0.37 3.82 1.01 0.14 -4.99 120.40 123.35 1n3r s VAL 101 Ca -0.03 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1n3r s VAL 101 Cb -0.14 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1n3r s VAL 101 CO 0.04 0.48 0.10 0.00 0.00 0.00 0.00 175.10 175.72 1n3r s ARG 102 N 1.35 2.19 -1.55 2.72 1.70 -1.26 -0.78 118.95 123.32 1n3r s ARG 102 Ca 0.05 -1.76 -0.14 0.00 -0.47 0.00 0.00 55.73 53.41 1n3r s ARG 102 Cb -0.14 -1.99 0.09 0.00 -0.57 0.00 0.00 34.95 32.35 1n3r s ARG 102 CO -0.07 0.03 0.94 -0.25 -1.08 0.00 0.00 175.30 174.86 1n3r n ASP 103 N -1.10 -4.36 -4.73 -2.89 8.00 -1.06 -4.91 116.55 105.49 1n3r n ASP 103 Ca -0.03 -0.82 -0.41 0.00 0.71 0.00 0.00 54.79 54.24 1n3r n ASP 103 Cb 0.63 -3.69 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 1n3r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3r s ILE 104 N -3.32 3.35 0.02 0.53 1.01 0.66 -4.80 121.20 118.65 1n3r s ILE 104 Ca 0.64 1.10 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 1n3r s ILE 104 Cb -0.33 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.37 1n3r s ILE 104 CO 0.85 0.16 1.53 -0.89 0.00 0.00 0.00 174.94 176.59 1n3r s THR 105 N 0.19 3.41 -0.17 2.92 2.01 -1.26 -1.45 115.64 121.29 1n3r s THR 105 Ca 0.56 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 1n3r s THR 105 Cb -0.35 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1n3r s THR 105 CO 0.37 -0.01 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.04 1n3r s LEU 106 N 2.66 1.47 -0.13 4.42 0.20 -1.04 -4.75 118.68 121.51 1n3r s LEU 106 Ca 0.69 -0.66 0.02 0.00 0.69 0.00 0.00 54.13 54.86 1n3r s LEU 106 Cb -0.35 -0.81 -0.00 0.00 -0.43 0.00 0.00 46.19 44.59 1n3r s LEU 106 CO 0.29 -0.21 -0.18 0.42 -0.29 0.00 0.00 176.35 176.37 1n3r s THR 107 N 1.70 2.50 0.00 3.68 -4.23 -1.26 -1.17 115.64 116.87 1n3r s THR 107 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1n3r s THR 107 Cb -0.16 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1n3r s THR 107 CO -0.07 0.54 0.00 -0.24 -0.54 0.00 0.00 174.62 174.30 1n3r n SER 108 N 3.73 0.00 -3.94 3.99 2.88 0.22 -4.27 113.62 116.23 1n3r n SER 108 Ca -0.19 -0.89 -0.16 0.00 -1.33 0.00 0.00 58.87 56.30 1n3r n SER 108 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 1n3r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3r s THR 109 N -2.31 0.41 -0.36 2.46 2.01 -1.26 0.17 115.64 116.75 1n3r s THR 109 Ca 0.00 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.56 1n3r s THR 109 Cb 0.00 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.15 1n3r s THR 109 CO 0.00 0.13 0.88 0.00 -0.69 0.00 0.00 174.62 174.94 1n3r h GLU 111 N 8.46 0.00 -0.29 0.00 4.11 -1.50 0.31 114.58 125.68 1n3r h GLU 111 Ca -0.24 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.07 1n3r h GLU 111 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1n3r h GLU 111 CO 0.96 0.00 -0.32 0.66 0.07 0.00 0.00 179.01 180.38 1n3r h SER 112 N 0.00 0.77 0.00 3.06 4.64 -1.91 -3.37 113.55 116.75 1n3r h SER 112 Ca 0.01 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1n3r h SER 112 Cb 0.68 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1n3r h SER 112 CO -0.00 1.10 0.00 1.41 -0.87 0.00 0.00 176.83 178.47 1n3r n HIS 113 N -4.24 0.00 -3.70 4.77 8.25 -0.81 -5.01 115.22 114.48 1n3r n HIS 113 Ca -0.04 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.17 1n3r n HIS 113 Cb 0.49 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.66 1n3r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1n3r n PHE 114 N -0.27 -2.59 -4.41 4.41 3.01 0.10 -5.00 117.46 112.71 1n3r n PHE 114 Ca 0.00 0.97 -0.28 0.00 1.01 0.00 0.00 57.45 59.15 1n3r n PHE 114 Cb 0.02 -4.67 -0.12 0.00 -0.01 0.00 0.00 39.48 34.70 1n3r n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3r s VAL 115 N -3.34 2.37 0.18 -4.37 1.01 -1.24 -4.88 120.40 110.14 1n3r s VAL 115 Ca 0.53 -1.93 -0.32 0.00 0.00 0.00 0.00 61.98 60.26 1n3r s VAL 115 Cb -0.25 -2.11 -0.15 0.00 0.00 0.00 0.00 36.38 33.86 1n3r s VAL 115 CO 0.77 -0.06 1.19 0.41 0.00 0.00 0.00 175.10 177.41 1n3r n THR 116 N 0.44 0.94 -4.07 3.92 -1.04 -1.26 -0.81 114.28 112.40 1n3r n THR 116 Ca -0.14 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.05 61.31 1n3r n THR 116 Cb 0.55 -0.92 -0.15 0.00 -1.82 0.00 0.00 70.33 67.99 1n3r n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3r s ILE 117 N -0.21 2.19 -0.25 12.58 1.01 0.13 -1.18 121.20 135.47 1n3r s ILE 117 Ca 0.72 -1.59 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 1n3r s ILE 117 Cb -0.82 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1n3r s ILE 117 CO 0.52 -0.00 0.05 -0.62 0.00 0.00 0.00 174.94 174.88 1n3r s ASP 118 N 1.12 4.94 0.02 3.58 2.15 -0.27 -0.61 116.67 127.60 1n3r s ASP 118 Ca -0.08 -0.32 -0.00 0.00 0.43 0.00 0.00 52.55 52.58 1n3r s ASP 118 Cb -0.20 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1n3r s ASP 118 CO -0.05 -0.05 0.03 0.61 -0.17 0.00 0.00 175.17 175.53 1n3r n GLY 119 N 4.89 2.96 2.91 2.66 0.00 -0.31 0.06 105.19 118.36 1n3r n GLY 119 Ca -0.16 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 1n3r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3r s LYS 120 N -2.04 0.43 0.08 1.61 3.01 0.11 -2.51 119.74 120.43 1n3r s LYS 120 Ca 0.02 -0.10 0.08 0.00 -1.01 0.00 0.00 55.97 54.95 1n3r s LYS 120 Cb -0.00 -0.46 -0.04 0.00 -1.01 0.00 0.00 37.83 36.32 1n3r s LYS 120 CO 0.01 0.02 -0.16 0.00 0.51 0.00 0.00 175.35 175.73 1n3r s ALA 121 N 0.30 2.71 -0.23 5.17 0.00 -0.53 -0.38 121.76 128.81 1n3r s ALA 121 Ca -0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.67 1n3r s ALA 121 Cb -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 22.37 1n3r s ALA 121 CO -0.00 0.59 -0.01 0.99 0.00 0.00 0.00 175.76 177.33 1n3r s THR 122 N -1.06 1.14 -0.01 0.00 2.01 0.54 -0.25 115.64 118.01 1n3r s THR 122 Ca 0.17 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.17 1n3r s THR 122 Cb -0.11 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1n3r s THR 122 CO 0.09 -0.20 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.07 1n3r s VAL 123 N 1.56 3.72 -0.05 3.82 1.01 0.04 -1.99 120.40 128.52 1n3r s VAL 123 Ca -0.03 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1n3r s VAL 123 Cb -0.18 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1n3r s VAL 123 CO -0.08 0.42 0.20 0.00 0.00 0.00 0.00 175.10 175.64 1n3r s ALA 124 N -0.98 -0.50 0.09 5.51 0.00 -0.36 0.24 121.76 125.76 1n3r s ALA 124 Ca 0.17 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 1n3r s ALA 124 Cb -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1n3r s ALA 124 CO 0.07 -0.14 0.28 1.52 0.00 0.00 0.00 175.76 177.49 1n3r s TYR 125 N -0.37 -0.02 -0.30 0.00 1.13 -0.73 0.06 117.35 117.12 1n3r s TYR 125 Ca -0.05 -0.32 -0.05 0.00 -1.41 0.00 0.00 57.07 55.24 1n3r s TYR 125 Cb -0.03 0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.93 1n3r s TYR 125 CO 0.01 -0.59 0.05 0.42 -2.51 0.00 0.00 175.55 172.93 1n3r s ILE 126 N -3.63 3.60 0.16 -3.49 1.01 -0.94 -0.60 121.20 117.32 1n3r s ILE 126 Ca 0.03 -0.95 -0.34 0.00 0.00 0.00 0.00 60.65 59.39 1n3r s ILE 126 Cb 0.03 -2.92 -0.15 0.00 0.01 0.00 0.00 42.46 39.43 1n3r s ILE 126 CO -0.10 0.01 1.45 -2.65 0.00 0.00 0.00 174.94 173.65 1n3r n PRO 127 N 4.79 1.82 0.00 2.79 -0.02 -1.26 -4.84 135.00 138.27 1n3r n PRO 127 Ca -0.14 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1n3r n PRO 127 Cb 0.46 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1n3r n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3r n LYS 128 N 2.74 0.00 -0.09 -0.52 4.81 -1.26 -4.70 118.16 119.14 1n3r n LYS 128 Ca 0.16 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.63 1n3r n LYS 128 Cb 0.27 -0.04 0.08 0.00 0.02 0.00 0.00 35.03 35.36 1n3r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3r n ASP 129 N -0.41 2.39 -3.78 3.14 8.00 -1.26 -4.83 116.55 119.80 1n3r n ASP 129 Ca 0.00 -1.87 -0.13 0.00 0.71 0.00 0.00 54.79 53.51 1n3r n ASP 129 Cb 0.00 -0.12 -0.12 0.00 -0.02 0.00 0.00 41.12 40.87 1n3r n ASP 129 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1n3r s SER 130 N -0.92 -0.27 -0.18 -2.24 0.01 -1.26 -2.20 113.70 106.64 1n3r s SER 130 Ca 0.13 0.52 -0.04 0.00 1.31 0.00 0.00 55.95 57.87 1n3r s SER 130 Cb 0.07 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 1n3r s SER 130 CO 0.10 -0.10 -0.02 -0.69 0.41 0.00 0.00 173.24 172.94 1n3r s VAL 131 N 0.26 3.91 0.05 3.43 1.01 -0.37 -4.65 120.40 124.04 1n3r s VAL 131 Ca -0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1n3r s VAL 131 Cb -0.03 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1n3r s VAL 131 CO -0.01 0.45 0.41 -0.51 0.00 0.00 0.00 175.10 175.44 1n3r s ILE 132 N 0.76 5.07 -0.05 2.22 2.07 -1.26 -1.37 121.20 128.63 1n3r s ILE 132 Ca -0.01 0.59 -0.30 0.00 -1.41 0.00 0.00 60.65 59.53 1n3r s ILE 132 Cb -0.14 -3.67 -0.08 0.00 0.13 0.00 0.00 42.46 38.70 1n3r s ILE 132 CO 0.02 0.38 2.05 0.61 -1.91 0.00 0.00 174.94 176.10 1n3r n GLY 133 N 1.21 1.57 0.28 1.50 0.00 -1.16 -4.85 105.19 103.73 1n3r n GLY 133 Ca -0.10 0.81 0.05 0.00 0.00 0.00 0.00 46.02 46.78 1n3r n GLY 133 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 134 N 8.81 -0.29 -0.18 0.99 4.77 -1.26 -0.48 117.00 129.36 1n3r n LEU 134 Ca 0.24 1.35 0.08 0.00 -0.03 0.00 0.00 56.01 57.65 1n3r n LEU 134 Cb 0.41 -0.41 0.37 0.00 -2.33 0.00 0.00 43.42 41.47 1n3r n LEU 134 CO 0.68 -1.30 1.21 0.77 -1.33 0.00 0.00 177.39 177.43 1n3r h SER 135 N 0.00 0.63 -0.69 -1.43 4.64 -2.01 -0.99 113.55 113.69 1n3r h SER 135 Ca 0.38 0.01 0.18 0.00 -0.47 0.00 0.00 61.79 61.88 1n3r h SER 135 Cb 0.57 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 1n3r h SER 135 CO -0.81 0.39 0.48 0.11 -0.87 0.00 0.00 176.83 176.14 1n3r h LYS 136 N 0.71 0.14 0.43 4.77 1.79 -1.14 0.12 116.57 123.39 1n3r h LYS 136 Ca 0.33 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1n3r h LYS 136 Cb 0.36 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1n3r h LYS 136 CO -0.11 0.09 -0.21 0.82 -1.08 0.00 0.00 179.45 178.96 1n3r h ILE 137 N 0.14 0.56 -0.14 1.86 2.04 -1.28 0.84 117.51 121.54 1n3r h ILE 137 Ca 0.34 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1n3r h ILE 137 Cb 1.12 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1n3r h ILE 137 CO -0.05 0.05 -0.12 0.78 0.00 0.00 0.00 178.15 178.81 1n3r h ASN 138 N -0.73 -0.39 -0.98 1.72 -0.26 -1.20 -0.72 115.58 113.03 1n3r h ASN 138 Ca -0.06 0.08 0.11 0.00 -0.56 0.00 0.00 56.30 55.87 1n3r h ASN 138 Cb 0.52 0.19 -0.08 0.00 -1.06 0.00 0.00 38.32 37.90 1n3r h ASN 138 CO 0.10 -0.16 0.62 0.03 -1.06 0.00 0.00 177.43 176.96 1n3r h ARG 139 N -0.14 0.96 -0.13 0.81 3.08 -0.72 0.07 114.38 118.31 1n3r h ARG 139 Ca 0.09 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1n3r h ARG 139 Cb 0.27 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1n3r h ARG 139 CO -0.22 0.64 -0.43 0.82 -1.07 0.00 0.00 179.97 179.71 1n3r h ILE 140 N 0.99 1.31 -0.08 2.04 2.04 0.11 -1.89 117.51 122.05 1n3r h ILE 140 Ca 0.47 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 1n3r h ILE 140 Cb 0.43 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1n3r h ILE 140 CO -0.23 0.47 -0.09 0.58 0.00 0.00 0.00 178.15 178.88 1n3r h VAL 141 N 0.25 1.38 0.00 1.67 2.07 0.39 -3.14 116.25 118.87 1n3r h VAL 141 Ca 0.02 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1n3r h VAL 141 Cb 0.86 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1n3r h VAL 141 CO 0.07 0.36 0.00 1.56 0.02 0.00 0.00 177.57 179.58 1n3r h GLN 142 N -0.25 0.00 0.44 1.57 1.08 -1.05 -2.59 115.11 114.31 1n3r h GLN 142 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1n3r h GLN 142 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1n3r h GLN 142 CO 0.02 0.00 -0.21 0.35 -0.95 0.00 0.00 178.83 178.04 1n3r h PHE 143 N 0.00 -0.54 0.00 2.96 3.57 -1.29 -2.75 116.94 118.89 1n3r h PHE 143 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1n3r h PHE 143 Cb 0.38 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1n3r h PHE 143 CO 0.00 -0.22 0.00 0.74 -2.23 0.00 0.00 178.31 176.60 1n3r h PHE 144 N -0.96 0.00 0.01 0.41 0.04 -1.56 -2.69 116.94 112.19 1n3r h PHE 144 Ca -0.06 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.51 1n3r h PHE 144 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1n3r h PHE 144 CO 0.02 0.00 -0.89 0.00 -0.60 0.00 0.00 178.31 176.84 1n3r h ALA 145 N 2.17 0.52 -0.18 2.45 0.00 -1.41 -3.36 119.26 119.45 1n3r h ALA 145 Ca 0.00 -0.75 -0.72 0.00 0.00 0.00 0.00 54.91 53.45 1n3r h ALA 145 Cb 0.40 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1n3r h ALA 145 CO 0.00 0.96 2.97 1.04 0.00 0.00 0.00 179.25 184.22 1n3r n GLN 146 N -3.61 3.06 -3.56 0.00 1.13 -1.01 -4.18 117.38 109.20 1n3r n GLN 146 Ca -0.03 -2.76 -0.07 0.00 -1.94 0.00 0.00 57.00 52.20 1n3r n GLN 146 Cb 0.82 -3.19 -0.02 0.00 0.11 0.00 0.00 30.24 27.97 1n3r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3r s ARG 147 N 2.56 0.89 -0.02 -1.09 0.52 -1.02 0.04 118.95 120.83 1n3r s ARG 147 Ca 0.47 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.00 1n3r s ARG 147 Cb 0.13 0.38 -0.06 0.00 0.52 0.00 0.00 34.95 35.93 1n3r s ARG 147 CO -0.07 -0.40 1.51 -2.14 0.02 0.00 0.00 175.30 174.22 1n3r s PRO 148 N -3.14 4.23 0.31 3.54 0.02 -1.26 -4.20 135.00 134.51 1n3r s PRO 148 Ca 0.07 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.20 1n3r s PRO 148 Cb -0.01 -3.73 -0.06 0.00 0.02 0.00 0.00 34.50 30.72 1n3r s PRO 148 CO -0.06 -0.70 0.03 -0.65 -0.33 0.00 0.00 177.00 175.29 1n3r s GLN 149 N 3.07 1.60 -0.17 5.54 -1.52 -0.51 -4.70 119.66 122.97 1n3r s GLN 149 Ca 0.68 -1.87 -0.00 0.00 -1.95 0.00 0.00 55.36 52.21 1n3r s GLN 149 Cb -0.32 -0.90 0.04 0.00 -0.22 0.00 0.00 33.01 31.61 1n3r s GLN 149 CO 0.27 -0.14 -0.05 0.08 -0.25 0.00 0.00 175.29 175.20 1n3r s VAL 150 N -3.25 1.12 0.19 1.09 1.01 -1.26 -1.36 120.40 117.93 1n3r s VAL 150 Ca 0.34 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1n3r s VAL 150 Cb 0.08 -1.30 0.08 0.00 0.00 0.00 0.00 36.38 35.24 1n3r s VAL 150 CO 0.14 0.12 1.55 -0.61 0.00 0.00 0.00 175.10 176.29 1n3r h GLN 151 N 8.11 -0.00 -0.79 2.72 4.15 -1.99 0.21 115.11 127.52 1n3r h GLN 151 Ca -0.24 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.36 1n3r h GLN 151 Cb 1.11 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.66 1n3r h GLN 151 CO 0.40 -0.00 -0.08 0.93 -1.93 0.00 0.00 178.83 178.15 1n3r h GLU 152 N -0.00 0.05 -0.31 1.69 3.07 -1.97 0.91 114.58 118.01 1n3r h GLU 152 Ca 0.25 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.95 1n3r h GLU 152 Cb 0.50 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1n3r h GLU 152 CO -0.96 0.03 -0.42 -0.09 -1.40 0.00 0.00 179.01 176.17 1n3r h ARG 153 N 0.05 0.83 0.10 2.33 2.43 -1.17 -2.83 114.38 116.12 1n3r h ARG 153 Ca 0.41 -0.48 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1n3r h ARG 153 Cb 0.71 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1n3r h ARG 153 CO -0.75 1.12 -0.29 1.25 -1.51 0.00 0.00 179.97 179.79 1n3r h LEU 154 N 0.60 -0.83 -0.54 3.80 5.85 0.16 0.66 115.31 125.02 1n3r h LEU 154 Ca 0.03 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.96 1n3r h LEU 154 Cb 1.02 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 1n3r h LEU 154 CO 0.10 -0.37 -0.23 0.74 -0.34 0.00 0.00 178.44 178.34 1n3r h THR 155 N -0.49 0.32 -0.31 1.05 2.02 -1.11 -0.61 112.91 113.78 1n3r h THR 155 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1n3r h THR 155 Cb 0.53 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1n3r h THR 155 CO -0.18 0.00 0.04 1.56 0.37 0.00 0.00 175.52 177.31 1n3r h GLN 156 N -0.10 0.14 -0.83 6.66 1.08 -1.13 -1.90 115.11 119.04 1n3r h GLN 156 Ca 0.25 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.47 1n3r h GLN 156 Cb 0.49 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1n3r h GLN 156 CO -0.60 0.09 0.54 1.96 -0.95 0.00 0.00 178.83 179.88 1n3r h GLN 157 N 0.15 0.99 -0.49 1.46 4.20 0.52 -1.93 115.11 120.01 1n3r h GLN 157 Ca 0.15 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1n3r h GLN 157 Cb 0.17 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1n3r h GLN 157 CO -0.21 0.65 0.22 0.82 -0.67 0.00 0.00 178.83 179.64 1n3r h ILE 158 N 1.02 1.20 0.00 2.54 1.08 -0.51 -2.54 117.51 120.29 1n3r h ILE 158 Ca 0.33 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1n3r h ILE 158 Cb 0.05 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1n3r h ILE 158 CO -0.10 0.23 0.00 -0.11 -0.69 0.00 0.00 178.15 177.48 1n3r n LEU 159 N -4.59 0.00 -0.32 1.44 7.94 -0.76 -1.81 117.00 118.90 1n3r n LEU 159 Ca 0.02 0.99 0.20 0.00 -1.11 0.00 0.00 56.01 56.10 1n3r n LEU 159 Cb 0.14 -0.49 0.41 0.00 0.53 0.00 0.00 43.42 44.01 1n3r n LEU 159 CO 0.37 -0.49 1.02 0.40 -1.11 0.00 0.00 177.39 177.59 1n3r h ILE 160 N 0.00 0.25 0.26 1.96 1.08 -1.57 0.48 117.51 119.97 1n3r h ILE 160 Ca 0.00 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1n3r h ILE 160 Cb 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1n3r h ILE 160 CO 0.00 0.04 -0.13 0.00 -0.69 0.00 0.00 178.15 177.37 1n3r h ALA 161 N 1.85 -0.36 -0.75 1.87 0.00 -1.40 0.35 119.26 120.83 1n3r h ALA 161 Ca 0.67 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1n3r h ALA 161 Cb 1.50 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1n3r h ALA 161 CO -0.67 -0.70 0.33 -0.07 0.00 0.00 0.00 179.25 178.14 1n3r h LEU 162 N -0.36 1.00 -0.71 0.00 3.38 -0.30 -0.13 115.31 118.19 1n3r h LEU 162 Ca -0.03 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1n3r h LEU 162 Cb 0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1n3r h LEU 162 CO 0.05 0.88 0.45 1.56 0.09 0.00 0.00 178.44 181.47 1n3r h GLN 163 N 1.06 0.85 -0.28 1.13 4.20 -0.81 0.34 115.11 121.60 1n3r h GLN 163 Ca 0.25 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1n3r h GLN 163 Cb 0.16 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1n3r h GLN 163 CO -0.03 0.56 0.01 1.15 -0.67 0.00 0.00 178.83 179.85 1n3r h THR 164 N 0.87 1.25 -0.10 -0.54 2.02 -0.34 -1.48 112.91 114.59 1n3r h THR 164 Ca 0.29 -0.89 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 1n3r h THR 164 Cb 0.02 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1n3r h THR 164 CO -0.11 0.29 -0.30 -0.07 0.37 0.00 0.00 175.52 175.69 1n3r h LEU 165 N 0.29 0.45 -1.03 2.58 3.38 -0.73 -3.23 115.31 117.02 1n3r h LEU 165 Ca 0.08 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1n3r h LEU 165 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1n3r h LEU 165 CO 0.01 0.97 0.00 -0.07 0.09 0.00 0.00 178.44 179.44 1n3r h LEU 166 N -0.05 0.00 -0.28 1.67 3.38 -0.39 -3.47 115.31 116.17 1n3r h LEU 166 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1n3r h LEU 166 Cb 0.92 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.69 1n3r h LEU 166 CO 0.06 0.00 -0.17 0.61 0.09 0.00 0.00 178.44 179.03 1n3r n GLY 167 N 0.27 0.38 3.35 0.83 0.00 -0.60 -4.61 105.19 104.81 1n3r n GLY 167 Ca 0.02 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 1n3r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3r s THR 168 N -2.79 0.03 -0.63 2.61 2.01 -0.94 -4.86 115.64 111.07 1n3r s THR 168 Ca 0.10 -0.24 0.24 0.00 0.31 0.00 0.00 61.69 62.11 1n3r s THR 168 Cb -0.04 -0.74 0.08 0.00 0.01 0.00 0.00 72.50 71.81 1n3r s THR 168 CO 0.13 -0.13 1.38 0.78 -0.69 0.00 0.00 174.62 176.08 1n3r h ASN 169 N 3.92 0.00 -0.60 3.53 2.35 -1.94 -3.38 115.58 119.46 1n3r h ASN 169 Ca -0.28 -0.17 -0.59 0.00 -0.55 0.00 0.00 56.30 54.70 1n3r h ASN 169 Cb 1.17 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.48 1n3r h ASN 169 CO 0.36 0.09 2.02 0.59 -1.65 0.00 0.00 177.43 178.84 1n3r n ASN 170 N -2.18 4.18 -3.85 5.81 3.02 -1.26 -1.21 115.26 119.77 1n3r n ASN 170 Ca 0.03 -2.84 -0.12 0.00 -0.03 0.00 0.00 54.58 51.63 1n3r n ASN 170 Cb 0.44 -1.70 -0.13 0.00 -0.61 0.00 0.00 39.78 37.79 1n3r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3r s VAL 171 N 5.96 0.01 -0.03 2.41 1.01 -1.25 -2.21 120.40 126.29 1n3r s VAL 171 Ca 0.57 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1n3r s VAL 171 Cb 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.30 1n3r s VAL 171 CO 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 175.10 175.05 1n3r s ALA 172 N -0.09 0.85 0.22 5.51 0.00 0.11 -0.21 121.76 128.15 1n3r s ALA 172 Ca -0.01 -0.28 0.11 0.00 0.00 0.00 0.00 51.96 51.77 1n3r s ALA 172 Cb -0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1n3r s ALA 172 CO 0.00 0.11 -0.21 0.08 0.00 0.00 0.00 175.76 175.74 1n3r s VAL 173 N 0.37 2.27 -0.30 0.00 1.01 -0.32 -1.23 120.40 122.20 1n3r s VAL 173 Ca -0.06 -2.17 -0.07 0.00 0.00 0.00 0.00 61.98 59.68 1n3r s VAL 173 Cb -0.10 -2.14 0.15 0.00 0.00 0.00 0.00 36.38 34.29 1n3r s VAL 173 CO 0.01 -0.29 0.65 -0.55 0.00 0.00 0.00 175.10 174.91 1n3r s SER 174 N -3.03 -1.21 -0.11 3.32 0.15 -0.84 -1.78 113.70 110.19 1n3r s SER 174 Ca 0.24 1.29 0.01 0.00 0.70 0.00 0.00 55.95 58.18 1n3r s SER 174 Cb -0.06 2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 66.46 1n3r s SER 174 CO 0.11 -0.23 -0.12 -0.63 1.20 0.00 0.00 173.24 173.57 1n3r s ILE 175 N 2.87 3.14 -0.16 6.45 1.01 0.12 -0.34 121.20 134.29 1n3r s ILE 175 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1n3r s ILE 175 Cb -0.13 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1n3r s ILE 175 CO -0.20 0.54 -0.17 -0.62 0.00 0.00 0.00 174.94 174.49 1n3r s ASP 176 N 0.04 3.42 0.08 3.58 2.15 0.49 -0.58 116.67 125.86 1n3r s ASP 176 Ca -0.04 -0.55 -0.12 0.00 0.43 0.00 0.00 52.55 52.27 1n3r s ASP 176 Cb -0.14 -1.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.97 1n3r s ASP 176 CO 0.04 0.05 0.28 0.00 -0.17 0.00 0.00 175.17 175.37 1n3r s ALA 177 N 1.02 -0.54 -0.17 3.66 0.00 0.98 0.07 121.76 126.78 1n3r s ALA 177 Ca -0.02 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 1n3r s ALA 177 Cb -0.15 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1n3r s ALA 177 CO -0.05 -0.51 0.04 0.08 0.00 0.00 0.00 175.76 175.33 1n3r s VAL 178 N -3.41 4.60 -0.25 0.00 1.01 0.11 -0.26 120.40 122.20 1n3r s VAL 178 Ca 0.01 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1n3r s VAL 178 Cb 0.02 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1n3r s VAL 178 CO -0.09 0.47 0.12 -1.00 0.00 0.00 0.00 175.10 174.61 1n3r s HIS 179 N 0.31 3.17 -0.69 5.22 3.76 -1.26 -1.11 115.29 124.69 1n3r s HIS 179 Ca 0.02 -0.12 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 1n3r s HIS 179 Cb -0.13 -2.28 0.89 0.00 1.11 0.00 0.00 32.58 32.17 1n3r s HIS 179 CO 0.01 -0.20 1.76 0.66 -0.85 0.00 0.00 174.74 176.12 1n3r n TYR 180 N 4.79 0.79 0.24 1.40 4.02 -0.33 -1.09 117.16 126.99 1n3r n TYR 180 Ca -0.15 0.25 0.13 0.00 -0.01 0.00 0.00 57.90 58.12 1n3r n TYR 180 Cb 0.52 -0.91 0.52 0.00 -0.02 0.00 0.00 39.34 39.45 1n3r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n VAL 182 N -3.25 1.11 -0.04 0.00 0.31 -0.91 -4.37 118.33 111.18 1n3r n VAL 182 Ca 0.01 -0.77 -0.02 0.00 -0.01 0.00 0.00 64.34 63.54 1n3r n VAL 182 Cb 0.39 -0.41 -0.01 0.00 -0.91 0.00 0.00 33.84 32.90 1n3r n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3r h LYS 183 N 0.00 0.00 -0.96 5.55 3.64 -0.77 -0.82 116.57 123.22 1n3r h LYS 183 Ca -0.40 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.89 1n3r h LYS 183 Cb 1.95 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.71 1n3r h LYS 183 CO 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 179.45 177.32 1n3r n ALA 184 N -2.89 3.20 -3.62 5.00 0.00 0.17 -3.93 120.51 118.44 1n3r n ALA 184 Ca -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 1n3r n ALA 184 Cb 0.11 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1n3r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3r s ARG 185 N -1.14 0.43 7.29 0.00 3.52 -1.23 -4.99 118.95 122.84 1n3r s ARG 185 Ca 0.16 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1n3r s ARG 185 Cb 0.13 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 1n3r s ARG 185 CO 0.04 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1n3r n GLY 186 N -0.37 3.87 0.27 8.12 0.00 -1.26 -0.87 105.19 114.96 1n3r n GLY 186 Ca -0.06 0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.19 1n3r n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3r h ILE 187 N 0.00 0.00 -6.41 -0.61 6.09 -1.86 -3.46 117.51 111.25 1n3r h ILE 187 Ca 0.00 -0.02 -0.47 0.00 -1.37 0.00 0.00 64.86 63.00 1n3r h ILE 187 Cb 0.00 0.84 0.06 0.00 0.47 0.00 0.00 36.82 38.19 1n3r h ILE 187 CO 0.00 0.00 -0.95 0.54 -3.07 0.00 0.00 178.15 174.67 1n3r n ARG 188 N -2.78 -0.96 -3.21 2.19 1.74 -0.04 -4.94 116.66 108.64 1n3r n ARG 188 Ca -0.02 0.39 -0.41 0.00 -0.77 0.00 0.00 57.85 57.04 1n3r n ARG 188 Cb 0.07 -3.66 -0.07 0.00 -1.02 0.00 0.00 32.46 27.77 1n3r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3r s ASP 189 N -3.45 6.40 0.09 0.55 -1.08 -0.33 -4.94 116.67 113.91 1n3r s ASP 189 Ca 0.46 0.32 0.25 0.00 -0.52 0.00 0.00 52.55 53.06 1n3r s ASP 189 Cb -0.19 -2.29 0.53 0.00 -1.46 0.00 0.00 42.92 39.51 1n3r s ASP 189 CO 0.89 -0.39 1.46 0.00 0.52 0.00 0.00 175.17 177.65 1n3r n ALA 190 N 5.68 2.96 -0.09 3.66 0.00 -1.26 -4.00 120.51 127.46 1n3r n ALA 190 Ca -0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 1n3r n ALA 190 Cb 0.49 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1n3r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3r n THR 191 N -1.90 1.11 -1.51 0.00 -2.24 -1.26 -5.04 114.28 103.44 1n3r n THR 191 Ca 0.04 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 1n3r n THR 191 Cb 0.40 -0.86 0.09 0.00 -2.10 0.00 0.00 70.33 67.86 1n3r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3r s SER 192 N -5.38 4.23 0.05 3.42 1.04 -1.26 -5.06 113.70 110.74 1n3r s SER 192 Ca -0.16 2.50 -0.00 0.00 0.48 0.00 0.00 55.95 58.76 1n3r s SER 192 Cb 0.06 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1n3r s SER 192 CO 0.57 -2.24 -0.04 0.00 0.98 0.00 0.00 173.24 172.51 1n3r s ALA 193 N -1.73 0.52 -0.09 5.32 0.00 -1.26 -4.78 121.76 119.74 1n3r s ALA 193 Ca 0.78 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1n3r s ALA 193 Cb -0.33 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1n3r s ALA 193 CO 0.44 -0.32 -0.18 0.99 0.00 0.00 0.00 175.76 176.69 1n3r s THR 194 N -3.55 2.69 -0.14 0.00 2.01 0.64 -4.94 115.64 112.35 1n3r s THR 194 Ca 0.05 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1n3r s THR 194 Cb 0.05 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.51 1n3r s THR 194 CO -0.08 0.56 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.31 1n3r s THR 195 N -0.05 2.00 -0.01 -0.82 2.01 -1.26 -0.01 115.64 117.49 1n3r s THR 195 Ca -0.04 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.08 1n3r s THR 195 Cb -0.14 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 1n3r s THR 195 CO 0.04 0.54 -0.21 0.42 -0.69 0.00 0.00 174.62 174.72 1n3r s THR 196 N 0.92 1.65 0.00 -0.82 -4.23 0.26 -5.00 115.64 108.43 1n3r s THR 196 Ca -0.05 -0.91 -0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1n3r s THR 196 Cb -0.15 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.31 1n3r s THR 196 CO -0.04 0.45 -0.00 0.42 -0.54 0.00 0.00 174.62 174.91 1n3r s THR 197 N -0.51 0.01 -0.20 3.99 -4.23 -1.26 0.11 115.64 113.56 1n3r s THR 197 Ca 0.08 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1n3r s THR 197 Cb -0.08 -0.04 0.03 0.00 1.34 0.00 0.00 72.50 73.76 1n3r s THR 197 CO -0.01 -0.05 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.43 1n3r s SER 198 N -0.15 3.43 -0.25 3.99 0.01 -0.73 -4.99 113.70 115.01 1n3r s SER 198 Ca -0.02 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.32 1n3r s SER 198 Cb -0.01 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.81 1n3r s SER 198 CO -0.00 -0.09 0.06 -0.76 0.41 0.00 0.00 173.24 172.86 1n3r s LEU 199 N 1.30 3.44 0.22 2.44 1.43 -1.26 -1.18 118.68 125.08 1n3r s LEU 199 Ca 0.00 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1n3r s LEU 199 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1n3r s LEU 199 CO -0.10 -0.06 0.21 -0.83 0.23 0.00 0.00 176.35 175.80 1n3r s GLY 200 N 1.58 1.47 0.00 -3.19 0.00 0.70 -4.22 107.32 103.66 1n3r s GLY 200 Ca 0.06 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1n3r s GLY 200 CO 0.03 -1.35 0.00 0.61 0.00 0.00 0.00 173.10 172.38 1n3r n GLY 201 N -0.98 2.79 0.36 0.20 0.00 -0.35 -0.93 105.19 106.28 1n3r n GLY 201 Ca -0.08 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.05 1n3r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 202 N 0.00 0.12 -2.56 0.99 3.38 -1.94 0.35 115.31 115.66 1n3r h LEU 202 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 202 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1n3r h LEU 202 CO 0.00 0.07 -0.01 -0.26 0.09 0.00 0.00 178.44 178.33 1n3r h PHE 203 N 0.14 0.00 0.00 1.13 0.04 -1.30 0.39 116.94 117.33 1n3r h PHE 203 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 1n3r h PHE 203 Cb 0.78 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.93 1n3r h PHE 203 CO -0.00 0.01 -0.69 1.17 -0.60 0.00 0.00 178.31 178.19 1n3r n LYS 204 N -3.15 0.37 -0.17 1.51 4.81 0.11 -4.13 118.16 117.50 1n3r n LYS 204 Ca -0.02 0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.48 1n3r n LYS 204 Cb 0.13 -1.14 0.01 0.00 0.02 0.00 0.00 35.03 34.05 1n3r n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3r h SER 205 N -0.69 0.73 -3.08 3.14 4.64 -1.09 -3.42 113.55 113.78 1n3r h SER 205 Ca 0.00 -0.22 -0.58 0.00 -0.47 0.00 0.00 61.79 60.52 1n3r h SER 205 Cb 0.69 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 1n3r h SER 205 CO 0.00 0.76 0.80 -0.55 -0.87 0.00 0.00 176.83 176.97 1n3r s SER 206 N -6.10 7.10 0.45 4.97 0.15 0.14 -4.89 113.70 115.51 1n3r s SER 206 Ca -0.13 1.41 0.30 0.00 0.70 0.00 0.00 55.95 58.23 1n3r s SER 206 Cb 0.11 -2.54 1.17 0.00 -1.71 0.00 0.00 66.02 63.05 1n3r s SER 206 CO 0.79 -0.67 1.88 -0.61 1.20 0.00 0.00 173.24 175.83 1n3r h GLN 207 N 7.48 0.00 0.00 5.44 5.75 -1.82 -1.82 115.11 130.14 1n3r h GLN 207 Ca -0.20 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.24 1n3r h GLN 207 Cb 1.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1n3r h GLN 207 CO 0.97 0.00 -0.35 -0.97 -2.65 0.00 0.00 178.83 175.83 1n3r h ASN 208 N 0.00 0.00 0.30 -0.69 -1.24 -1.90 -3.21 115.58 108.84 1n3r h ASN 208 Ca 0.00 -0.73 -0.06 0.00 0.71 0.00 0.00 56.30 56.21 1n3r h ASN 208 Cb 0.52 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 1n3r h ASN 208 CO 0.00 1.07 -0.30 0.74 -1.29 0.00 0.00 177.43 177.65 1n3r h THR 209 N -1.00 1.22 0.36 -3.57 2.02 -1.80 -2.40 112.91 107.74 1n3r h THR 209 Ca -0.09 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 1n3r h THR 209 Cb 0.96 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1n3r h THR 209 CO -0.06 0.30 -0.18 -0.09 0.37 0.00 0.00 175.52 175.86 1n3r h ARG 210 N 0.00 -0.47 0.00 6.66 2.43 -1.46 -2.76 114.38 118.78 1n3r h ARG 210 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1n3r h ARG 210 Cb 0.53 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1n3r h ARG 210 CO 0.04 -0.21 0.00 0.72 -1.51 0.00 0.00 179.97 179.01 1n3r n HIS 211 N -5.22 0.00 0.10 2.20 8.25 -1.18 -1.80 115.22 117.57 1n3r n HIS 211 Ca -0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.18 1n3r n HIS 211 Cb 0.26 -0.40 -0.14 0.00 1.12 0.00 0.00 29.99 30.83 1n3r n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1n3r h GLU 212 N 0.00 0.32 0.13 -0.41 5.08 -1.33 -3.07 114.58 115.30 1n3r h GLU 212 Ca 0.00 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1n3r h GLU 212 Cb 0.33 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1n3r h GLU 212 CO 0.00 1.24 -0.06 0.35 -1.00 0.00 0.00 179.01 179.54 1n3r h PHE 213 N 0.09 -0.16 -0.70 4.33 3.57 -1.20 -3.23 116.94 119.63 1n3r h PHE 213 Ca -0.18 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.50 1n3r h PHE 213 Cb 2.02 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.78 1n3r h PHE 213 CO 0.08 0.08 0.49 -0.07 -2.23 0.00 0.00 178.31 176.66 1n3r h LEU 214 N -1.01 0.14 -0.93 0.59 3.38 -1.51 -0.09 115.31 115.87 1n3r h LEU 214 Ca -0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1n3r h LEU 214 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1n3r h LEU 214 CO 0.03 0.06 -0.46 -0.09 0.09 0.00 0.00 178.44 178.07 1n3r h ARG 215 N 0.14 0.17 -0.69 1.13 2.43 -1.64 -2.68 114.38 113.23 1n3r h ARG 215 Ca 0.34 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1n3r h ARG 215 Cb 1.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1n3r h ARG 215 CO -0.05 0.60 0.02 0.00 -1.51 0.00 0.00 179.97 179.03 1n3r n ALA 216 N -2.47 3.62 -2.74 2.80 0.00 -0.06 -4.92 120.51 116.75 1n3r n ALA 216 Ca -0.02 -1.49 -0.34 0.00 0.00 0.00 0.00 53.44 51.59 1n3r n ALA 216 Cb 0.51 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1n3r n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3r s VAL 217 N -2.36 4.56 0.00 0.00 1.01 -1.01 -4.80 120.40 117.81 1n3r s VAL 217 Ca 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1n3r s VAL 217 Cb 0.32 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1n3r s VAL 217 CO 0.12 0.49 0.00 -1.14 0.00 0.00 0.00 175.10 174.57 1n3r n ARG 218 N 1.69 0.00 -4.44 2.72 0.00 -1.26 -5.04 116.66 110.32 1n3r n ARG 218 Ca -0.16 0.44 -0.24 0.00 -0.00 0.00 0.00 57.85 57.89 1n3r n ARG 218 Cb 0.53 -1.32 -0.10 0.00 0.00 0.00 0.00 32.46 31.57 1n3r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3r s HIS 219 N -1.38 2.40 -0.11 -0.14 3.76 -1.26 -5.14 115.29 113.41 1n3r s HIS 219 Ca 0.00 -0.35 -0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1n3r s HIS 219 Cb 0.00 -1.14 0.03 0.00 1.11 0.00 0.00 32.58 32.58 1n3r s HIS 219 CO 0.00 0.66 -0.04 -1.58 -0.85 0.00 0.00 174.74 172.93 1n3r s HIS 220 N -2.50 1.24 0.00 1.40 2.46 -1.26 -4.89 115.29 111.74 1n3r s HIS 220 Ca 0.31 -0.62 0.00 0.00 0.47 0.00 0.00 55.06 55.22 1n3r s HIS 220 Cb -0.03 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.31 1n3r s HIS 220 CO 0.16 -0.48 0.00 0.09 -2.47 0.00 0.00 174.74 172.05