#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3b s TYR 3 N 0.00 3.50 -0.26 -1.55 5.04 -1.14 -4.90 117.35 118.03 1n3b s TYR 3 Ca 0.00 1.53 -0.03 0.00 -2.44 0.00 0.00 57.07 56.13 1n3b s TYR 3 Cb 0.00 -3.36 0.02 0.00 0.35 0.00 0.00 41.96 38.97 1n3b s TYR 3 CO 0.00 -0.91 -0.02 0.42 -1.34 0.00 0.00 175.55 173.69 1n3b s ILE 4 N -0.36 3.18 -0.32 3.14 1.01 -1.26 -0.83 121.20 125.75 1n3b s ILE 4 Ca 0.50 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1n3b s ILE 4 Cb -0.32 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.55 1n3b s ILE 4 CO 0.37 0.17 0.12 -0.69 0.00 0.00 0.00 174.94 174.91 1n3b s VAL 5 N 1.37 4.17 0.17 2.92 1.01 -0.64 -0.84 120.40 128.57 1n3b s VAL 5 Ca 0.01 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1n3b s VAL 5 Cb -0.17 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1n3b s VAL 5 CO -0.03 -0.03 0.77 0.00 0.00 0.00 0.00 175.10 175.81 1n3b s ALA 6 N 1.51 3.45 -0.09 5.51 0.00 0.32 -0.60 121.76 131.86 1n3b s ALA 6 Ca 0.02 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1n3b s ALA 6 Cb -0.18 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1n3b s ALA 6 CO 0.04 0.30 -0.20 -1.17 0.00 0.00 0.00 175.76 174.73 1n3b s LEU 7 N -1.22 2.35 0.25 0.00 2.96 0.57 -0.06 118.68 123.53 1n3b s LEU 7 Ca 0.36 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 1n3b s LEU 7 Cb -0.22 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1n3b s LEU 7 CO 0.26 0.21 0.32 0.28 -1.32 0.00 0.00 176.35 176.10 1n3b s THR 8 N 0.06 0.00 0.00 3.68 -1.32 -0.74 -0.89 115.64 116.43 1n3b s THR 8 Ca -0.08 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 1n3b s THR 8 Cb -0.15 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1n3b s THR 8 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1n3b n GLY 9 N -0.37 1.07 2.68 6.08 0.00 -1.26 -0.75 105.19 112.63 1n3b n GLY 9 Ca 0.01 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1n3b n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n3b n GLY 10 N -0.17 -1.88 3.77 -0.02 0.00 -1.26 -4.87 105.19 100.76 1n3b n GLY 10 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1n3b n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1n3b s ILE 11 N -2.84 2.58 0.00 -0.61 2.07 -1.26 -2.48 121.20 118.65 1n3b s ILE 11 Ca 0.53 0.57 0.00 0.00 -1.41 0.00 0.00 60.65 60.34 1n3b s ILE 11 Cb -0.03 -3.36 0.00 0.00 0.13 0.00 0.00 42.46 39.20 1n3b s ILE 11 CO 0.38 0.13 0.00 0.61 -1.91 0.00 0.00 174.94 174.16 1n3b n GLY 12 N 0.82 0.76 0.01 1.50 0.00 -1.26 -4.66 105.19 102.35 1n3b n GLY 12 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1n3b n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n3b n SER 13 N 0.00 0.19 -1.83 1.61 3.41 -1.04 -4.51 113.62 111.46 1n3b n SER 13 Ca 0.00 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1n3b n SER 13 Cb 0.00 -0.28 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1n3b n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n3b n GLY 14 N 1.49 0.29 0.28 5.00 0.00 -1.26 -4.76 105.19 106.22 1n3b n GLY 14 Ca 0.06 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1n3b n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n3b h LYS 15 N -1.05 0.40 0.00 1.61 1.57 -1.92 -1.57 116.57 115.61 1n3b h LYS 15 Ca -0.24 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1n3b h LYS 15 Cb 1.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1n3b h LYS 15 CO 0.23 0.26 -0.18 0.77 -0.57 0.00 0.00 179.45 179.96 1n3b h SER 16 N 0.41 0.00 -0.46 0.86 0.02 -1.99 -1.21 113.55 111.18 1n3b h SER 16 Ca 0.42 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1n3b h SER 16 Cb 0.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1n3b h SER 16 CO -0.43 0.18 -0.04 0.74 -1.14 0.00 0.00 176.83 176.14 1n3b h THR 17 N 0.00 1.27 -0.22 -2.27 2.02 -1.67 -0.50 112.91 111.53 1n3b h THR 17 Ca -0.00 -1.12 -0.08 0.00 0.77 0.00 0.00 66.41 65.98 1n3b h THR 17 Cb 0.47 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1n3b h THR 17 CO 0.02 0.39 -0.18 0.58 0.37 0.00 0.00 175.52 176.69 1n3b h VAL 18 N 0.68 1.32 -0.80 3.16 2.07 -1.36 -2.57 116.25 118.75 1n3b h VAL 18 Ca 0.12 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.38 1n3b h VAL 18 Cb 0.56 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1n3b h VAL 18 CO 0.03 0.41 0.48 0.00 0.02 0.00 0.00 177.57 178.51 1n3b h ALA 19 N 0.67 1.09 -0.12 1.67 0.00 -1.12 -1.43 119.26 120.03 1n3b h ALA 19 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1n3b h ALA 19 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1n3b h ALA 19 CO 0.05 0.19 -0.22 -0.91 0.00 0.00 0.00 179.25 178.36 1n3b h ASN 20 N 0.87 0.19 -0.59 0.00 2.35 -1.01 -0.92 115.58 116.48 1n3b h ASN 20 Ca 0.35 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.95 1n3b h ASN 20 Cb 0.19 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1n3b h ASN 20 CO -0.18 0.43 -0.01 0.00 -1.65 0.00 0.00 177.43 176.02 1n3b h ALA 21 N 1.59 0.84 -0.28 -0.83 0.00 -0.86 -0.20 119.26 119.53 1n3b h ALA 21 Ca 0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1n3b h ALA 21 Cb 0.50 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n3b h ALA 21 CO 0.03 0.67 -0.48 0.74 0.00 0.00 0.00 179.25 180.22 1n3b h PHE 22 N 0.97 0.93 -0.87 0.00 -1.00 -0.97 -2.93 116.94 113.05 1n3b h PHE 22 Ca 0.17 -0.30 0.01 0.00 2.81 0.00 0.00 57.97 60.65 1n3b h PHE 22 Cb 0.57 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.90 1n3b h PHE 22 CO 0.04 1.08 0.57 0.00 -1.61 0.00 0.00 178.31 178.40 1n3b h ALA 23 N 0.86 1.36 0.00 2.45 0.00 -0.80 0.12 119.26 123.25 1n3b h ALA 23 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n3b h ALA 23 Cb 1.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1n3b h ALA 23 CO 0.10 0.59 0.00 -0.44 0.00 0.00 0.00 179.25 179.50 1n3b h ASP 24 N 1.19 0.00 -0.50 0.00 3.32 -0.86 -0.19 116.42 119.37 1n3b h ASP 24 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1n3b h ASP 24 Cb -0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1n3b h ASP 24 CO -0.07 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.63 1n3b n LEU 25 N -3.06 3.48 0.00 1.55 4.77 -0.00 -4.92 117.00 118.83 1n3b n LEU 25 Ca -0.01 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 1n3b n LEU 25 Cb 0.18 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1n3b n LEU 25 CO 0.23 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1n3b n GLY 26 N 1.03 0.61 3.80 -0.72 0.00 -0.08 -5.05 105.19 104.78 1n3b n GLY 26 Ca 0.19 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1n3b n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n3b s ILE 27 N -2.00 5.22 -0.16 -0.61 -1.09 -1.00 -4.63 121.20 116.92 1n3b s ILE 27 Ca 0.00 0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 58.77 1n3b s ILE 27 Cb 0.00 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1n3b s ILE 27 CO 0.00 0.51 1.36 0.20 -1.23 0.00 0.00 174.94 175.77 1n3b s ASN 28 N -0.43 6.84 -0.22 3.58 0.01 -1.26 -4.11 114.94 119.34 1n3b s ASN 28 Ca 0.20 1.74 -0.14 0.00 -0.71 0.00 0.00 52.86 53.95 1n3b s ASN 28 Cb -0.14 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1n3b s ASN 28 CO 0.08 -0.85 0.32 -0.69 -1.51 0.00 0.00 177.10 174.46 1n3b s VAL 29 N 3.78 5.25 -0.39 1.60 1.01 -1.26 -2.04 120.40 128.34 1n3b s VAL 29 Ca 0.59 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 1n3b s VAL 29 Cb -0.23 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.59 1n3b s VAL 29 CO 0.19 0.27 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 1n3b s ILE 30 N 1.29 3.29 -0.27 2.22 -1.09 0.08 -4.96 121.20 121.76 1n3b s ILE 30 Ca 0.15 -1.93 -0.14 0.00 -2.23 0.00 0.00 60.65 56.50 1n3b s ILE 30 Cb -0.14 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1n3b s ILE 30 CO 0.07 -0.60 0.31 -0.62 -1.23 0.00 0.00 174.94 172.87 1n3b s ASP 31 N 1.75 6.18 0.37 3.58 -1.08 -1.26 -0.86 116.67 125.35 1n3b s ASP 31 Ca 0.06 0.20 0.08 0.00 -0.52 0.00 0.00 52.55 52.37 1n3b s ASP 31 Cb -0.22 -2.18 0.80 0.00 -1.46 0.00 0.00 42.92 39.86 1n3b s ASP 31 CO -0.03 -0.13 1.92 0.00 0.52 0.00 0.00 175.17 177.45 1n3b h ALA 32 N 8.18 1.80 -0.10 3.66 0.00 -1.71 0.14 119.26 131.22 1n3b h ALA 32 Ca -0.33 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 1n3b h ALA 32 Cb 1.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1n3b h ALA 32 CO 0.62 0.03 -0.61 -0.44 0.00 0.00 0.00 179.25 178.85 1n3b h ASP 33 N 0.70 0.40 0.21 0.00 3.32 -1.94 -2.03 116.42 117.08 1n3b h ASP 33 Ca 0.37 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 1n3b h ASP 33 Cb 0.50 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1n3b h ASP 33 CO -0.14 0.91 -0.69 0.40 -1.72 0.00 0.00 179.24 178.00 1n3b h ILE 34 N 0.26 1.37 -0.47 0.35 1.08 -1.62 -2.93 117.51 115.55 1n3b h ILE 34 Ca -0.01 -2.06 -0.05 0.00 -0.39 0.00 0.00 64.86 62.35 1n3b h ILE 34 Cb 1.14 2.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.91 1n3b h ILE 34 CO 0.10 0.62 0.10 0.40 -0.69 0.00 0.00 178.15 178.69 1n3b h ILE 35 N 0.30 1.24 -0.25 -0.67 1.08 -0.94 -0.35 117.51 117.92 1n3b h ILE 35 Ca -0.02 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.60 1n3b h ILE 35 Cb 1.26 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 1n3b h ILE 35 CO 0.12 0.30 0.16 0.00 -0.69 0.00 0.00 178.15 178.05 1n3b h ALA 36 N 0.97 1.89 0.04 1.87 0.00 -1.31 -1.71 119.26 121.01 1n3b h ALA 36 Ca 0.15 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 1n3b h ALA 36 Cb 0.35 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1n3b h ALA 36 CO 0.00 0.09 -1.03 0.00 0.00 0.00 0.00 179.25 178.32 1n3b h ARG 37 N 0.28 0.63 -0.54 0.00 3.08 -1.26 -3.29 114.38 113.28 1n3b h ARG 37 Ca 0.10 -0.73 -0.01 0.00 0.07 0.00 0.00 59.98 59.40 1n3b h ARG 37 Cb 0.04 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1n3b h ARG 37 CO -0.02 1.31 0.27 1.96 -1.07 0.00 0.00 179.97 182.42 1n3b h GLN 38 N 0.27 0.74 0.00 0.04 4.20 -0.37 -2.49 115.11 117.50 1n3b h GLN 38 Ca -0.14 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1n3b h GLN 38 Cb 1.70 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.33 1n3b h GLN 38 CO 0.20 0.57 0.00 1.33 -0.67 0.00 0.00 178.83 180.26 1n3b n VAL 39 N -4.39 0.33 -0.95 -0.54 0.24 -0.71 -2.47 118.33 109.85 1n3b n VAL 39 Ca 0.05 0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 1n3b n VAL 39 Cb 0.11 -0.73 0.13 0.00 -1.47 0.00 0.00 33.84 31.88 1n3b n VAL 39 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1n3b n VAL 40 N -1.28 1.80 -1.18 3.34 0.24 -0.95 -4.45 118.33 115.85 1n3b n VAL 40 Ca 0.10 -2.13 -0.31 0.00 -2.04 0.00 0.00 64.34 59.97 1n3b n VAL 40 Cb 0.17 -0.16 0.11 0.00 -1.47 0.00 0.00 33.84 32.49 1n3b n VAL 40 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1n3b s GLU 41 N -2.68 1.87 0.22 7.34 2.02 -1.03 -4.58 118.70 121.87 1n3b s GLU 41 Ca 0.29 1.13 -0.32 0.00 0.02 0.00 0.00 54.97 56.09 1n3b s GLU 41 Cb 0.25 -1.86 -0.14 0.00 0.10 0.00 0.00 34.13 32.48 1n3b s GLU 41 CO 0.03 -1.90 1.33 -2.30 0.02 0.00 0.00 175.26 172.44 1n3b n PRO 42 N -3.69 1.76 0.00 0.39 -0.02 -1.26 -1.39 135.00 130.79 1n3b n PRO 42 Ca 0.09 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1n3b n PRO 42 Cb 0.53 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1n3b n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n3b n GLY 43 N 2.13 3.28 3.74 -1.23 0.00 -1.26 -5.04 105.19 106.81 1n3b n GLY 43 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1n3b n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b s ALA 44 N -2.65 3.41 0.49 4.61 0.00 -0.48 -4.92 121.76 122.21 1n3b s ALA 44 Ca 0.00 0.90 0.15 0.00 0.00 0.00 0.00 51.96 53.01 1n3b s ALA 44 Cb 0.00 -3.38 1.17 0.00 0.00 0.00 0.00 23.12 20.92 1n3b s ALA 44 CO 0.00 -0.28 2.10 -1.35 0.00 0.00 0.00 175.76 176.24 1n3b h PRO 45 N 4.88 0.04 -0.55 0.00 0.11 -1.89 -2.33 132.00 132.26 1n3b h PRO 45 Ca -0.45 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1n3b h PRO 45 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1n3b h PRO 45 CO 0.72 0.07 0.27 0.00 -0.21 0.00 0.00 178.00 178.85 1n3b h ALA 46 N 1.94 1.43 -0.29 -0.75 0.00 -1.92 -1.04 119.26 118.64 1n3b h ALA 46 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n3b h ALA 46 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n3b h ALA 46 CO 0.00 0.45 0.10 1.25 0.00 0.00 0.00 179.25 181.06 1n3b h LEU 47 N 0.78 0.41 -1.01 0.00 5.85 -1.64 -0.29 115.31 119.40 1n3b h LEU 47 Ca 0.19 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1n3b h LEU 47 Cb 0.08 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1n3b h LEU 47 CO -0.03 0.48 0.24 -0.74 -0.34 0.00 0.00 178.44 178.06 1n3b h HIS 48 N 0.31 0.96 -0.44 1.25 2.76 -1.43 -1.93 115.15 116.62 1n3b h HIS 48 Ca 0.09 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1n3b h HIS 48 Cb 0.22 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1n3b h HIS 48 CO -0.00 0.75 0.03 0.00 -1.30 0.00 0.00 177.93 177.40 1n3b h ALA 49 N 1.33 1.22 -0.40 5.26 0.00 -0.81 0.32 119.26 126.18 1n3b h ALA 49 Ca 0.21 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1n3b h ALA 49 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n3b h ALA 49 CO -0.02 0.52 0.02 0.82 0.00 0.00 0.00 179.25 180.59 1n3b h ILE 50 N 0.67 1.26 -0.67 0.00 2.04 -0.49 -0.82 117.51 119.50 1n3b h ILE 50 Ca 0.14 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.96 1n3b h ILE 50 Cb 0.38 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1n3b h ILE 50 CO 0.01 0.33 0.14 0.00 0.00 0.00 0.00 178.15 178.63 1n3b h ALA 51 N 0.90 0.88 -0.74 1.87 0.00 -0.96 0.17 119.26 121.38 1n3b h ALA 51 Ca 0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1n3b h ALA 51 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1n3b h ALA 51 CO 0.02 0.62 0.24 0.22 0.00 0.00 0.00 179.25 180.34 1n3b h ASP 52 N 1.01 1.06 0.19 0.00 3.58 -0.75 0.38 116.42 121.89 1n3b h ASP 52 Ca 0.21 -0.20 -0.26 0.00 0.42 0.00 0.00 57.03 57.20 1n3b h ASP 52 Cb 0.40 -0.28 0.03 0.00 1.72 0.00 0.00 39.33 41.20 1n3b h ASP 52 CO 0.01 0.98 -1.12 -0.74 -2.88 0.00 0.00 179.24 175.49 1n3b h HIS 53 N 1.09 0.76 0.00 0.28 2.76 -0.89 -3.40 115.15 115.76 1n3b h HIS 53 Ca 0.24 -0.55 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 1n3b h HIS 53 Cb 0.30 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1n3b h HIS 53 CO 0.02 1.43 -1.70 1.19 -1.30 0.00 0.00 177.93 177.58 1n3b n PHE 54 N -3.94 0.00 0.00 5.26 3.01 0.57 -5.10 117.46 117.26 1n3b n PHE 54 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1n3b n PHE 54 Cb 0.95 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 1n3b n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n3b n GLY 55 N 1.44 3.53 0.29 1.37 0.00 0.13 -4.86 105.19 107.09 1n3b n GLY 55 Ca -0.02 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.39 1n3b n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b h ALA 56 N 0.00 1.32 0.00 4.61 0.00 -1.93 -3.40 119.26 119.85 1n3b h ALA 56 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1n3b h ALA 56 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n3b h ALA 56 CO 0.00 0.07 2.03 0.27 0.00 0.00 0.00 179.25 181.62 1n3b n ASN 57 N -3.61 3.11 0.00 0.00 6.94 -1.26 -4.73 115.26 115.72 1n3b n ASN 57 Ca -0.02 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 1n3b n ASN 57 Cb 0.16 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 36.70 1n3b n ASN 57 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1n3b n ILE 59 N 4.57 0.00 -2.09 1.53 2.08 -1.26 -4.78 119.36 119.41 1n3b n ILE 59 Ca 0.29 0.00 -0.28 0.00 0.56 0.00 0.00 62.75 63.33 1n3b n ILE 59 Cb 0.10 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 39.05 1n3b n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n3b s ALA 60 N 0.00 3.00 0.51 -1.39 0.00 0.27 -4.91 121.76 119.24 1n3b s ALA 60 Ca 0.00 -0.66 0.23 0.00 0.00 0.00 0.00 51.96 51.53 1n3b s ALA 60 Cb 0.00 -2.80 1.46 0.00 0.00 0.00 0.00 23.12 21.78 1n3b s ALA 60 CO 0.00 -1.25 2.14 0.00 0.00 0.00 0.00 175.76 176.65 1n3b h ALA 61 N -0.64 1.61 -0.29 0.00 0.00 -1.98 -0.83 119.26 117.13 1n3b h ALA 61 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1n3b h ALA 61 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n3b h ALA 61 CO 0.63 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 1n3b n ASP 62 N -4.05 1.59 0.00 0.00 5.75 -1.26 -4.90 116.55 113.67 1n3b n ASP 62 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1n3b n ASP 62 Cb 0.15 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1n3b n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n3b n GLY 63 N 0.95 1.38 3.93 6.12 0.00 -0.32 -5.05 105.19 112.21 1n3b n GLY 63 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1n3b n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n3b s THR 64 N -2.94 4.80 0.38 2.61 -4.23 -1.26 -4.49 115.64 110.51 1n3b s THR 64 Ca 0.00 -0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.04 1n3b s THR 64 Cb 0.00 -3.79 -0.09 0.00 1.34 0.00 0.00 72.50 69.96 1n3b s THR 64 CO 0.00 -0.63 1.27 -0.22 -0.54 0.00 0.00 174.62 174.50 1n3b s LEU 65 N -4.54 4.29 -0.91 4.79 2.96 -1.26 -0.57 118.68 123.43 1n3b s LEU 65 Ca 0.45 2.59 -0.16 0.00 -0.22 0.00 0.00 54.13 56.79 1n3b s LEU 65 Cb -0.10 -3.84 0.18 0.00 0.50 0.00 0.00 46.19 42.93 1n3b s LEU 65 CO 0.40 -0.70 0.99 -1.10 -1.32 0.00 0.00 176.35 174.63 1n3b s GLN 66 N -2.08 3.67 0.16 1.98 -1.52 -1.26 -4.80 119.66 115.80 1n3b s GLN 66 Ca 0.54 -2.19 -0.19 0.00 -1.95 0.00 0.00 55.36 51.58 1n3b s GLN 66 Cb -0.37 -4.70 0.08 0.00 -0.22 0.00 0.00 33.01 27.80 1n3b s GLN 66 CO 0.48 -1.54 1.65 0.00 -0.25 0.00 0.00 175.29 175.63 1n3b h ARG 67 N 8.17 -0.08 -0.37 2.91 3.08 -1.98 -2.16 114.38 123.95 1n3b h ARG 67 Ca 0.15 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1n3b h ARG 67 Cb 1.01 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1n3b h ARG 67 CO 0.96 -0.06 -0.07 0.00 -1.07 0.00 0.00 179.97 179.73 1n3b h ARG 68 N -0.09 0.62 -0.25 0.04 3.08 -1.99 -1.83 114.38 113.95 1n3b h ARG 68 Ca 0.18 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1n3b h ARG 68 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1n3b h ARG 68 CO -0.42 0.69 0.12 0.00 -1.07 0.00 0.00 179.97 179.29 1n3b h ALA 69 N 1.35 0.30 -0.39 0.04 0.00 -1.82 -0.78 119.26 117.97 1n3b h ALA 69 Ca 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1n3b h ALA 69 Cb 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1n3b h ALA 69 CO 0.02 -0.28 0.13 1.25 0.00 0.00 0.00 179.25 180.37 1n3b h LEU 70 N 0.26 0.56 -0.64 0.00 5.85 -1.16 -2.65 115.31 117.53 1n3b h LEU 70 Ca 0.10 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1n3b h LEU 70 Cb 0.04 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1n3b h LEU 70 CO -0.08 0.60 0.31 0.03 -0.34 0.00 0.00 178.44 178.97 1n3b h ARG 71 N 0.48 0.55 0.00 1.25 3.08 -1.02 -0.81 114.38 117.91 1n3b h ARG 71 Ca 0.13 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1n3b h ARG 71 Cb 0.24 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1n3b h ARG 71 CO -0.01 0.36 -0.02 1.49 -1.07 0.00 0.00 179.97 180.72 1n3b h GLU 72 N 0.57 0.00 0.00 0.04 4.22 -0.96 0.17 114.58 118.61 1n3b h GLU 72 Ca 0.30 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.70 1n3b h GLU 72 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1n3b h GLU 72 CO -0.23 0.02 -0.21 0.00 -2.18 0.00 0.00 179.01 176.41 1n3b h ARG 73 N 0.00 0.00 0.00 1.92 2.47 -0.81 -3.31 114.38 114.65 1n3b h ARG 73 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1n3b h ARG 73 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1n3b h ARG 73 CO 0.00 0.21 -1.73 0.44 0.56 0.00 0.00 179.97 179.45 1n3b n ILE 74 N -3.15 0.00 -1.77 2.04 -5.35 -0.88 -4.69 119.36 105.56 1n3b n ILE 74 Ca 0.03 -0.38 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 1n3b n ILE 74 Cb 0.62 0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 1n3b n ILE 74 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1n3b s PHE 75 N -3.19 2.76 0.00 4.28 5.36 0.54 -2.17 117.98 125.56 1n3b s PHE 75 Ca -0.05 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 1n3b s PHE 75 Cb 0.12 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 1n3b s PHE 75 CO 0.74 -3.70 0.00 0.00 -1.46 0.00 0.00 175.22 170.80 1n3b n ALA 76 N 2.37 0.00 -2.60 11.12 0.00 -1.26 -4.90 120.51 125.24 1n3b n ALA 76 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 1n3b n ALA 76 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1n3b n ALA 76 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n3b s ASN 77 N 0.00 6.18 0.25 0.00 3.84 -0.92 -4.90 114.94 119.38 1n3b s ASN 77 Ca 0.00 -0.57 -0.05 0.00 0.21 0.00 0.00 52.86 52.45 1n3b s ASN 77 Cb 0.00 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.43 1n3b s ASN 77 CO 0.00 -1.77 1.88 -0.65 -2.79 0.00 0.00 177.10 173.77 1n3b h PRO 78 N 9.95 1.21 -0.47 0.43 0.11 -1.91 -2.40 132.00 138.93 1n3b h PRO 78 Ca -0.26 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 1n3b h PRO 78 Cb 1.05 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1n3b h PRO 78 CO 1.27 0.87 -0.09 0.93 -0.21 0.00 0.00 178.00 180.77 1n3b h GLU 79 N 1.23 0.83 -0.04 1.05 5.08 -1.93 0.16 114.58 120.96 1n3b h GLU 79 Ca 0.31 -0.27 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 1n3b h GLU 79 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1n3b h GLU 79 CO -0.05 0.89 -0.80 0.93 -1.00 0.00 0.00 179.01 178.98 1n3b h GLU 80 N 0.76 0.35 -0.41 2.33 4.39 -1.87 -1.13 114.58 119.00 1n3b h GLU 80 Ca 0.13 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1n3b h GLU 80 Cb 0.58 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1n3b h GLU 80 CO 0.04 0.98 0.03 0.87 -1.16 0.00 0.00 179.01 179.76 1n3b h LYS 81 N 0.22 0.71 -0.60 2.33 1.57 -1.23 -1.31 116.57 118.25 1n3b h LYS 81 Ca -0.04 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1n3b h LYS 81 Cb 1.39 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1n3b h LYS 81 CO 0.13 0.77 0.33 -0.91 -0.57 0.00 0.00 179.45 179.21 1n3b h ASN 82 N 0.54 0.76 -0.24 0.86 -0.26 -0.89 -1.13 115.58 115.22 1n3b h ASN 82 Ca 0.12 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1n3b h ASN 82 Cb 0.44 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 1n3b h ASN 82 CO 0.02 0.63 0.15 -0.25 -1.06 0.00 0.00 177.43 176.92 1n3b h TRP 83 N 0.82 0.29 -0.67 1.19 7.01 -0.95 -0.38 115.95 123.25 1n3b h TRP 83 Ca 0.21 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 1n3b h TRP 83 Cb 0.05 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1n3b h TRP 83 CO -0.01 0.18 0.25 1.25 -2.79 0.00 0.00 178.44 177.32 1n3b h LEU 84 N 0.31 0.92 -0.49 0.65 5.85 -0.97 -1.55 115.31 120.03 1n3b h LEU 84 Ca 0.09 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 1n3b h LEU 84 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1n3b h LEU 84 CO -0.03 0.84 -0.25 0.78 -0.34 0.00 0.00 178.44 179.43 1n3b h ASN 85 N 0.98 1.00 -0.89 1.25 2.35 -0.94 -0.16 115.58 119.17 1n3b h ASN 85 Ca 0.23 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1n3b h ASN 85 Cb 0.22 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1n3b h ASN 85 CO -0.02 1.19 0.56 0.00 -1.65 0.00 0.00 177.43 177.51 1n3b h ALA 86 N 0.87 1.31 0.01 -0.83 0.00 -0.65 0.26 119.26 120.24 1n3b h ALA 86 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n3b h ALA 86 Cb 0.83 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1n3b h ALA 86 CO 0.07 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.18 1n3b h LEU 87 N 1.22 -0.01 0.13 0.00 5.85 -1.03 -3.39 115.31 118.07 1n3b h LEU 87 Ca 0.32 -0.51 -0.30 0.00 0.84 0.00 0.00 57.88 58.23 1n3b h LEU 87 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1n3b h LEU 87 CO -0.06 0.51 -1.44 -0.07 -0.34 0.00 0.00 178.44 177.03 1n3b h LEU 88 N -0.54 0.44 -0.50 2.25 3.38 -0.87 -3.37 115.31 116.09 1n3b h LEU 88 Ca -0.00 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.53 1n3b h LEU 88 Cb 0.52 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 1n3b h LEU 88 CO 0.00 1.44 -0.17 -0.74 0.09 0.00 0.00 178.44 179.07 1n3b h HIS 89 N 0.08 -0.39 -0.65 1.13 2.76 -0.67 0.14 115.15 117.54 1n3b h HIS 89 Ca -0.21 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 57.97 1n3b h HIS 89 Cb 2.01 0.25 -0.03 0.00 1.55 0.00 0.00 27.41 31.20 1n3b h HIS 89 CO 0.07 -0.26 0.28 -1.00 -1.30 0.00 0.00 177.93 175.72 1n3b h PRO 90 N -0.05 0.96 -0.80 5.26 0.13 -1.76 -0.87 132.00 134.87 1n3b h PRO 90 Ca 0.24 -0.16 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1n3b h PRO 90 Cb 0.42 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.35 1n3b h PRO 90 CO -0.55 0.80 0.36 -0.07 -0.23 0.00 0.00 178.00 178.31 1n3b h LEU 91 N 0.91 1.07 -0.45 1.56 3.38 -1.52 -0.78 115.31 119.48 1n3b h LEU 91 Ca 0.22 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1n3b h LEU 91 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1n3b h LEU 91 CO -0.02 0.92 0.03 0.40 0.09 0.00 0.00 178.44 179.86 1n3b h ILE 92 N 1.14 1.26 -0.24 1.22 2.04 -0.51 -0.24 117.51 122.17 1n3b h ILE 92 Ca 0.27 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1n3b h ILE 92 Cb 0.15 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1n3b h ILE 92 CO -0.03 0.34 0.11 -0.61 0.00 0.00 0.00 178.15 177.96 1n3b h GLN 93 N 0.64 0.23 -0.31 2.37 -0.00 -0.73 -0.58 115.11 116.71 1n3b h GLN 93 Ca 0.13 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.75 1n3b h GLN 93 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1n3b h GLN 93 CO 0.02 0.15 0.11 1.96 0.00 0.00 0.00 178.83 181.07 1n3b h GLN 94 N 0.23 0.48 -0.57 1.69 4.20 -1.01 -1.57 115.11 118.58 1n3b h GLN 94 Ca 0.10 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1n3b h GLN 94 Cb 0.04 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1n3b h GLN 94 CO -0.08 0.51 0.11 1.49 -0.67 0.00 0.00 178.83 180.19 1n3b h GLU 95 N 0.35 0.93 0.15 1.46 4.57 -0.89 -0.25 114.58 120.90 1n3b h GLU 95 Ca 0.10 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1n3b h GLU 95 Cb 0.22 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1n3b h GLU 95 CO -0.01 0.88 -0.13 1.15 -1.18 0.00 0.00 179.01 179.73 1n3b h THR 96 N 0.82 0.72 -0.75 0.32 2.02 -1.03 0.11 112.91 115.12 1n3b h THR 96 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1n3b h THR 96 Cb 0.39 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1n3b h THR 96 CO 0.01 0.00 0.45 -0.61 0.37 0.00 0.00 175.52 175.74 1n3b h GLN 97 N -0.29 0.81 -0.23 6.66 5.75 -1.17 0.12 115.11 126.76 1n3b h GLN 97 Ca -0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1n3b h GLN 97 Cb 0.27 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1n3b h GLN 97 CO -0.02 0.54 0.15 1.25 -2.65 0.00 0.00 178.83 178.10 1n3b h HIS 98 N 0.84 0.29 -0.02 3.99 2.76 -0.57 0.34 115.15 122.78 1n3b h HIS 98 Ca 0.33 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.38 1n3b h HIS 98 Cb 0.15 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 1n3b h HIS 98 CO -0.05 0.20 -0.54 1.96 -1.30 0.00 0.00 177.93 178.20 1n3b h GLN 99 N 0.30 0.06 0.02 5.26 4.20 -0.30 -1.78 115.11 122.88 1n3b h GLN 99 Ca 0.08 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1n3b h GLN 99 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1n3b h GLN 99 CO -0.02 0.58 -0.01 0.82 -0.67 0.00 0.00 178.83 179.53 1n3b h ILE 100 N 0.05 1.21 -0.86 2.54 2.04 -0.68 -1.64 117.51 120.16 1n3b h ILE 100 Ca -0.00 -0.70 0.12 0.00 1.00 0.00 0.00 64.86 65.28 1n3b h ILE 100 Cb 0.96 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.66 1n3b h ILE 100 CO 0.07 0.18 0.56 1.56 0.00 0.00 0.00 178.15 180.52 1n3b h GLN 101 N -0.33 0.71 -0.01 2.37 4.20 -0.76 -2.19 115.11 119.10 1n3b h GLN 101 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1n3b h GLN 101 Cb 0.32 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1n3b h GLN 101 CO 0.00 0.47 -0.14 1.04 -0.67 0.00 0.00 178.83 179.54 1n3b n GLN 102 N -4.54 1.33 -1.40 1.46 6.02 -0.68 -4.93 117.38 114.64 1n3b n GLN 102 Ca 0.16 -0.83 -0.35 0.00 -0.01 0.00 0.00 57.00 55.97 1n3b n GLN 102 Cb 0.40 -1.48 0.10 0.00 1.02 0.00 0.00 30.24 30.28 1n3b n GLN 102 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n3b s ALA 103 N -2.24 2.08 -0.28 -1.58 0.00 -0.63 -4.95 121.76 114.16 1n3b s ALA 103 Ca 0.30 0.98 0.16 0.00 0.00 0.00 0.00 51.96 53.40 1n3b s ALA 103 Cb 0.20 -3.51 -0.22 0.00 0.00 0.00 0.00 23.12 19.59 1n3b s ALA 103 CO 0.42 -1.97 0.47 0.25 0.00 0.00 0.00 175.76 174.94 1n3b n THR 104 N -2.70 0.00 -2.54 0.00 -2.24 -1.26 -4.98 114.28 100.57 1n3b n THR 104 Ca 0.14 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1n3b n THR 104 Cb 0.50 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1n3b n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3b s SER 105 N -3.36 6.39 0.40 3.42 1.04 -1.26 -4.94 113.70 115.39 1n3b s SER 105 Ca -0.02 1.95 0.11 0.00 0.48 0.00 0.00 55.95 58.48 1n3b s SER 105 Cb 0.11 -2.56 0.92 0.00 0.10 0.00 0.00 66.02 64.58 1n3b s SER 105 CO 0.66 -0.75 1.93 -0.65 0.98 0.00 0.00 173.24 175.42 1n3b h PRO 106 N 1.70 0.55 -4.97 4.02 0.11 -1.93 -3.42 132.00 128.06 1n3b h PRO 106 Ca -0.49 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 65.27 1n3b h PRO 106 Cb 1.22 -0.12 -0.17 0.00 0.11 0.00 0.00 31.00 32.04 1n3b h PRO 106 CO 0.59 0.36 -0.73 1.52 -0.21 0.00 0.00 178.00 179.54 1n3b s TYR 107 N -5.53 1.10 0.24 0.65 -0.85 -1.26 -2.87 117.35 108.83 1n3b s TYR 107 Ca -0.09 -0.69 0.10 0.00 -0.52 0.00 0.00 57.07 55.87 1n3b s TYR 107 Cb 0.21 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 1n3b s TYR 107 CO 0.77 0.01 -0.07 0.14 -1.52 0.00 0.00 175.55 174.88 1n3b s VAL 108 N -2.69 3.18 -0.34 -3.49 -7.23 -0.01 -4.42 120.40 105.39 1n3b s VAL 108 Ca 0.08 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 1n3b s VAL 108 Cb -0.01 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.32 1n3b s VAL 108 CO -0.00 -0.30 0.09 -0.22 -0.31 0.00 0.00 175.10 174.36 1n3b s LEU 109 N -3.40 4.34 -0.46 1.32 2.96 -0.87 -1.63 118.68 120.95 1n3b s LEU 109 Ca 0.29 -1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 52.71 1n3b s LEU 109 Cb -0.07 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.83 1n3b s LEU 109 CO 0.18 -0.34 0.59 0.86 -1.32 0.00 0.00 176.35 176.31 1n3b s TRP 110 N 1.33 3.08 -0.35 5.38 -0.00 0.23 -0.74 118.94 127.87 1n3b s TRP 110 Ca -0.01 -0.32 -0.23 0.00 -0.00 0.00 0.00 56.10 55.54 1n3b s TRP 110 Cb -0.20 -3.32 0.01 0.00 -0.00 0.00 0.00 33.47 29.95 1n3b s TRP 110 CO 0.01 -0.90 0.77 0.08 -0.00 0.00 0.00 176.95 176.91 1n3b s VAL 111 N 2.60 4.77 -0.33 5.86 1.01 -0.04 -0.32 120.40 133.95 1n3b s VAL 111 Ca 0.17 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1n3b s VAL 111 Cb -0.17 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.14 1n3b s VAL 111 CO 0.15 -0.36 0.11 -0.69 0.00 0.00 0.00 175.10 174.30 1n3b s VAL 112 N 3.01 1.15 0.27 2.92 1.01 -0.06 -1.69 120.40 127.01 1n3b s VAL 112 Ca 0.31 -1.68 -0.01 0.00 0.00 0.00 0.00 61.98 60.60 1n3b s VAL 112 Cb -0.14 -1.86 0.26 0.00 0.00 0.00 0.00 36.38 34.64 1n3b s VAL 112 CO 0.15 -0.69 1.83 -0.65 0.00 0.00 0.00 175.10 175.74 1n3b h PRO 113 N 7.86 0.90 -1.00 2.72 0.11 -1.90 -2.49 132.00 138.19 1n3b h PRO 113 Ca -0.11 -0.05 -0.44 0.00 0.11 0.00 0.00 66.00 65.51 1n3b h PRO 113 Cb 1.00 -0.20 -0.26 0.00 0.11 0.00 0.00 31.00 31.65 1n3b h PRO 113 CO 0.48 0.59 0.56 1.28 -0.21 0.00 0.00 178.00 180.70 1n3b n LEU 114 N -4.66 6.20 -0.11 2.35 4.77 -1.26 -4.58 117.00 119.70 1n3b n LEU 114 Ca 0.17 -3.30 -0.05 0.00 -0.03 0.00 0.00 56.01 52.80 1n3b n LEU 114 Cb 0.33 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1n3b n LEU 114 CO 0.27 0.97 0.81 0.25 -1.33 0.00 0.00 177.39 178.36 1n3b h LEU 115 N 1.02 -0.29 0.00 2.23 5.85 -1.81 -0.93 115.31 121.40 1n3b h LEU 115 Ca 0.54 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 59.32 1n3b h LEU 115 Cb 2.56 0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.80 1n3b h LEU 115 CO 0.95 -0.10 -0.18 0.58 -0.34 0.00 0.00 178.44 179.34 1n3b h VAL 116 N 0.03 1.58 -0.97 1.05 2.07 -1.87 0.06 116.25 118.20 1n3b h VAL 116 Ca 0.18 -1.97 0.19 0.00 0.82 0.00 0.00 66.70 65.93 1n3b h VAL 116 Cb 0.27 2.85 -0.11 0.00 -1.52 0.00 0.00 31.29 32.79 1n3b h VAL 116 CO -0.36 0.53 0.57 -0.33 0.02 0.00 0.00 177.57 178.00 1n3b h GLU 117 N -0.61 0.67 -0.54 1.57 3.07 -1.88 -1.81 114.58 115.06 1n3b h GLU 117 Ca -0.02 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1n3b h GLU 117 Cb 0.97 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1n3b h GLU 117 CO 0.04 0.44 0.00 0.09 -1.40 0.00 0.00 179.01 178.18 1n3b n ASN 118 N -4.82 3.88 -2.35 1.42 3.02 -0.36 -4.97 115.26 111.07 1n3b n ASN 118 Ca 0.23 -2.24 -0.16 0.00 -0.03 0.00 0.00 54.58 52.38 1n3b n ASN 118 Cb 0.58 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 1n3b n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n3b n SER 119 N 0.91 -4.74 0.00 6.41 7.64 -0.68 -4.84 113.62 118.33 1n3b n SER 119 Ca 0.21 0.13 0.10 0.00 1.01 0.00 0.00 58.87 60.31 1n3b n SER 119 Cb 0.67 -4.01 0.50 0.00 -1.01 0.00 0.00 64.21 60.36 1n3b n SER 119 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n3b n LEU 120 N -2.83 0.00 0.29 -3.43 4.77 -0.06 -2.48 117.00 113.25 1n3b n LEU 120 Ca -0.19 0.38 0.19 0.00 -0.03 0.00 0.00 56.01 56.36 1n3b n LEU 120 Cb 0.64 -0.38 0.93 0.00 -2.33 0.00 0.00 43.42 42.28 1n3b n LEU 120 CO 0.22 -0.11 1.06 0.10 -1.33 0.00 0.00 177.39 177.34 1n3b h TYR 121 N 0.00 0.00 0.00 -1.77 -0.00 -1.88 -0.81 116.97 112.50 1n3b h TYR 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1n3b h TYR 121 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.00 1n3b h TYR 121 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1n3b n LYS 122 N -2.93 0.17 -0.22 0.10 5.02 -1.04 -1.72 118.16 117.54 1n3b n LYS 122 Ca -0.01 0.54 0.09 0.00 -2.02 0.00 0.00 58.31 56.90 1n3b n LYS 122 Cb 0.15 -1.92 0.20 0.00 -0.02 0.00 0.00 35.03 33.45 1n3b n LYS 122 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1n3b n LYS 123 N -2.25 2.55 -4.18 1.97 4.76 -0.31 -4.98 118.16 115.71 1n3b n LYS 123 Ca 0.00 -2.19 -0.28 0.00 -2.87 0.00 0.00 58.31 52.97 1n3b n LYS 123 Cb 0.12 -1.40 -0.08 0.00 -1.84 0.00 0.00 35.03 31.84 1n3b n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n3b s ALA 124 N -1.08 3.24 -0.23 7.82 0.00 -0.70 -4.98 121.76 125.83 1n3b s ALA 124 Ca 0.33 -1.29 0.20 0.00 0.00 0.00 0.00 51.96 51.20 1n3b s ALA 124 Cb 0.18 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.25 1n3b s ALA 124 CO 0.24 0.54 1.10 -0.91 0.00 0.00 0.00 175.76 176.73 1n3b h ASN 125 N 2.90 0.00 -4.53 0.00 2.35 -1.29 -3.47 115.58 111.54 1n3b h ASN 125 Ca -0.47 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.17 1n3b h ASN 125 Cb 1.19 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.35 1n3b h ASN 125 CO 0.58 0.20 -0.14 -0.60 -1.65 0.00 0.00 177.43 175.82 1n3b s ARG 126 N -3.19 0.69 -0.15 0.81 6.06 -0.91 -5.01 118.95 117.24 1n3b s ARG 126 Ca 0.00 0.25 0.02 0.00 -2.50 0.00 0.00 55.73 53.50 1n3b s ARG 126 Cb 0.09 0.32 0.01 0.00 0.06 0.00 0.00 34.95 35.43 1n3b s ARG 126 CO 0.78 -0.16 -0.20 0.08 -2.50 0.00 0.00 175.30 173.29 1n3b s VAL 127 N -0.64 1.96 -0.20 7.11 1.01 -1.26 -0.52 120.40 127.85 1n3b s VAL 127 Ca -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1n3b s VAL 127 Cb -0.03 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1n3b s VAL 127 CO 0.04 0.53 -0.04 -0.22 0.00 0.00 0.00 175.10 175.40 1n3b s LEU 128 N 1.00 2.96 -0.18 3.92 2.96 0.92 -0.69 118.68 129.58 1n3b s LEU 128 Ca -0.03 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.47 1n3b s LEU 128 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1n3b s LEU 128 CO -0.05 0.02 0.05 -0.69 -1.32 0.00 0.00 176.35 174.36 1n3b s VAL 129 N 1.23 4.66 -0.33 1.68 1.01 -0.24 -1.79 120.40 126.62 1n3b s VAL 129 Ca 0.03 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1n3b s VAL 129 Cb -0.14 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1n3b s VAL 129 CO -0.01 0.47 0.64 -0.69 0.00 0.00 0.00 175.10 175.51 1n3b s VAL 130 N 0.35 4.90 -0.08 2.92 1.01 0.07 -0.81 120.40 128.75 1n3b s VAL 130 Ca 0.02 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1n3b s VAL 130 Cb -0.13 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1n3b s VAL 130 CO 0.00 -0.25 -0.04 -0.62 0.00 0.00 0.00 175.10 174.20 1n3b s ASP 131 N 1.73 4.90 0.11 3.32 -1.08 0.52 -4.50 116.67 121.68 1n3b s ASP 131 Ca 0.25 0.04 -0.08 0.00 -0.52 0.00 0.00 52.55 52.25 1n3b s ASP 131 Cb -0.15 -1.34 -0.01 0.00 -1.46 0.00 0.00 42.92 39.97 1n3b s ASP 131 CO 0.14 0.36 0.19 0.68 0.52 0.00 0.00 175.17 177.05 1n3b s VAL 132 N -0.76 0.13 0.65 1.11 -7.23 -1.26 -1.22 120.40 111.81 1n3b s VAL 132 Ca 0.12 -1.34 -0.13 0.00 -1.81 0.00 0.00 61.98 58.82 1n3b s VAL 132 Cb -0.11 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1n3b s VAL 132 CO 0.02 -0.57 1.05 -0.94 -0.31 0.00 0.00 175.10 174.35 1n3b s SER 133 N -2.91 5.60 0.36 4.85 1.04 -1.26 -4.90 113.70 116.47 1n3b s SER 133 Ca 0.10 1.67 0.03 0.00 0.48 0.00 0.00 55.95 58.23 1n3b s SER 133 Cb 0.05 -2.51 0.68 0.00 0.10 0.00 0.00 66.02 64.34 1n3b s SER 133 CO -0.07 -1.30 2.01 -0.65 0.98 0.00 0.00 173.24 174.21 1n3b h PRO 134 N -0.28 0.79 -0.59 4.02 0.11 -2.00 -1.56 132.00 132.48 1n3b h PRO 134 Ca -0.45 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1n3b h PRO 134 Cb 1.21 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1n3b h PRO 134 CO 0.57 0.52 0.28 1.49 -0.21 0.00 0.00 178.00 180.66 1n3b h GLU 135 N 0.81 0.50 -0.71 1.05 4.81 -1.99 -0.00 114.58 119.04 1n3b h GLU 135 Ca 0.24 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1n3b h GLU 135 Cb -0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1n3b h GLU 135 CO -0.06 0.33 0.35 1.15 -0.73 0.00 0.00 179.01 180.05 1n3b h THR 136 N 0.52 1.23 -0.77 0.32 2.02 -1.67 -0.72 112.91 113.85 1n3b h THR 136 Ca 0.28 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1n3b h THR 136 Cb 0.25 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1n3b h THR 136 CO -0.22 0.27 0.50 1.56 0.37 0.00 0.00 175.52 178.00 1n3b h GLN 137 N 1.00 1.01 -0.07 6.66 4.20 -0.73 -1.38 115.11 125.79 1n3b h GLN 137 Ca 0.25 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1n3b h GLN 137 Cb 0.11 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1n3b h GLN 137 CO -0.03 0.67 0.00 -0.07 -0.67 0.00 0.00 178.83 178.73 1n3b h LEU 138 N 1.04 0.11 -0.20 1.46 3.38 -0.55 -2.23 115.31 118.32 1n3b h LEU 138 Ca 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1n3b h LEU 138 Cb -0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1n3b h LEU 138 CO -0.06 0.38 0.07 0.11 0.09 0.00 0.00 178.44 179.03 1n3b h LYS 139 N -0.15 0.30 -0.56 1.13 1.57 -1.02 -3.12 116.57 114.73 1n3b h LYS 139 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1n3b h LYS 139 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1n3b h LYS 139 CO 0.00 0.38 0.32 0.00 -0.57 0.00 0.00 179.45 179.58 1n3b h ARG 140 N 0.16 0.77 -1.69 3.15 3.08 -1.32 -1.29 114.38 117.25 1n3b h ARG 140 Ca 0.07 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1n3b h ARG 140 Cb 0.20 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1n3b h ARG 140 CO -0.00 0.58 0.00 2.41 -1.07 0.00 0.00 179.97 181.89 1n3b n THR 141 N -4.62 0.29 0.00 2.04 -1.04 -0.84 -0.79 114.28 109.32 1n3b n THR 141 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1n3b n THR 141 Cb 0.08 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1n3b n THR 141 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n3b n GLN 143 N 0.85 0.00 -0.02 -2.82 1.13 -0.49 -1.83 117.38 114.20 1n3b n GLN 143 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1n3b n GLN 143 Cb 0.15 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.42 1n3b n GLN 143 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1n3b h ARG 144 N 0.00 0.14 -6.14 -1.09 2.43 -1.22 -3.45 114.38 105.05 1n3b h ARG 144 Ca 0.00 -0.05 -0.54 0.00 -0.81 0.00 0.00 59.98 58.58 1n3b h ARG 144 Cb 0.00 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 1n3b h ARG 144 CO 0.00 0.43 -0.57 -0.51 -1.51 0.00 0.00 179.97 177.81 1n3b s ASP 145 N -5.68 4.72 -1.18 -3.80 1.01 -0.76 -5.02 116.67 105.97 1n3b s ASP 145 Ca -0.15 -0.68 -0.07 0.00 0.71 0.00 0.00 52.55 52.37 1n3b s ASP 145 Cb 0.04 -0.83 -0.01 0.00 1.01 0.00 0.00 42.92 43.13 1n3b s ASP 145 CO 0.70 -0.17 2.78 0.47 0.21 0.00 0.00 175.17 179.15 1n3b n ASP 146 N -1.07 7.81 -4.60 0.27 8.00 -1.26 -4.92 116.55 120.78 1n3b n ASP 146 Ca -0.05 -2.87 -0.23 0.00 0.71 0.00 0.00 54.79 52.35 1n3b n ASP 146 Cb 0.60 -1.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.20 1n3b n ASP 146 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1n3b s VAL 147 N 0.15 3.07 0.62 2.53 -7.23 -1.26 -5.13 120.40 113.14 1n3b s VAL 147 Ca 0.62 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.66 1n3b s VAL 147 Cb 0.22 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.47 1n3b s VAL 147 CO -0.09 -0.35 0.97 0.42 -0.31 0.00 0.00 175.10 175.73 1n3b s THR 148 N -2.40 3.92 0.25 5.32 -4.23 -1.26 -4.86 115.64 112.38 1n3b s THR 148 Ca 0.32 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1n3b s THR 148 Cb -0.05 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.45 1n3b s THR 148 CO 0.19 -0.67 1.86 -0.09 -0.54 0.00 0.00 174.62 175.37 1n3b h ARG 149 N -0.29 1.01 -0.23 3.99 2.43 -2.00 -1.59 114.38 117.70 1n3b h ARG 149 Ca -0.45 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 58.57 1n3b h ARG 149 Cb 1.24 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1n3b h ARG 149 CO 0.62 0.67 -0.25 0.93 -1.51 0.00 0.00 179.97 180.43 1n3b h GLU 150 N 1.04 0.43 -0.72 0.20 3.07 -1.99 -0.90 114.58 115.72 1n3b h GLU 150 Ca 0.40 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 1n3b h GLU 150 Cb 0.20 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1n3b h GLU 150 CO -0.18 0.66 0.40 1.25 -1.40 0.00 0.00 179.01 179.74 1n3b h HIS 151 N 0.39 0.97 -0.32 4.33 2.76 -1.68 -2.22 115.15 119.38 1n3b h HIS 151 Ca 0.06 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 1n3b h HIS 151 Cb 0.65 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1n3b h HIS 151 CO 0.02 0.68 -0.45 0.28 -1.30 0.00 0.00 177.93 177.16 1n3b h VAL 152 N 0.98 1.28 0.00 5.26 2.07 -0.98 -2.78 116.25 122.08 1n3b h VAL 152 Ca 0.25 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1n3b h VAL 152 Cb 0.02 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1n3b h VAL 152 CO -0.04 0.53 -0.07 -0.33 0.02 0.00 0.00 177.57 177.68 1n3b h GLU 153 N 0.66 0.00 -0.42 1.57 5.08 -0.86 0.98 114.58 121.59 1n3b h GLU 153 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1n3b h GLU 153 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1n3b h GLU 153 CO 0.10 0.07 -0.05 1.96 -1.00 0.00 0.00 179.01 180.09 1n3b h GLN 154 N 0.00 0.76 0.23 2.33 1.08 -1.14 -0.65 115.11 117.73 1n3b h GLN 154 Ca -0.00 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1n3b h GLN 154 Cb 0.13 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1n3b h GLN 154 CO 0.01 0.87 -0.11 0.82 -0.95 0.00 0.00 178.83 179.47 1n3b h ILE 155 N 0.59 0.82 -0.98 2.54 2.04 -0.96 -2.61 117.51 118.95 1n3b h ILE 155 Ca 0.11 -0.26 0.19 0.00 1.00 0.00 0.00 64.86 65.90 1n3b h ILE 155 Cb 0.55 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 37.49 1n3b h ILE 155 CO 0.03 0.06 0.58 -0.07 0.00 0.00 0.00 178.15 178.74 1n3b h LEU 156 N -0.44 0.73 -1.85 1.44 3.38 -0.76 0.18 115.31 117.99 1n3b h LEU 156 Ca -0.03 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n3b h LEU 156 Cb 0.33 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n3b h LEU 156 CO 0.05 0.25 -0.11 0.00 0.09 0.00 0.00 178.44 178.73 1n3b h ALA 157 N 1.64 1.19 -0.00 1.53 0.00 -0.77 -2.13 119.26 120.71 1n3b h ALA 157 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1n3b h ALA 157 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1n3b h ALA 157 CO -0.39 0.14 -0.22 0.00 0.00 0.00 0.00 179.25 178.78 1n3b n ALA 158 N -2.23 2.94 -2.43 0.00 0.00 0.61 -4.88 120.51 114.53 1n3b n ALA 158 Ca -0.01 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1n3b n ALA 158 Cb 0.26 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1n3b n ALA 158 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1n3b s GLN 159 N -2.71 2.41 0.75 0.00 -0.21 -0.80 -5.11 119.66 113.99 1n3b s GLN 159 Ca 0.21 -1.60 -0.13 0.00 0.02 0.00 0.00 55.36 53.87 1n3b s GLN 159 Cb 0.19 -2.20 0.05 0.00 1.00 0.00 0.00 33.01 32.05 1n3b s GLN 159 CO 0.55 -0.02 1.12 0.00 -2.12 0.00 0.00 175.29 174.82 1n3b s ALA 160 N -2.47 2.19 0.81 6.09 0.00 -1.26 -4.97 121.76 122.15 1n3b s ALA 160 Ca 0.41 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 1n3b s ALA 160 Cb -0.01 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.84 1n3b s ALA 160 CO 0.24 -1.76 1.13 0.95 0.00 0.00 0.00 175.76 176.32 1n3b s THR 161 N -2.56 2.61 0.20 0.00 -4.23 -1.26 -4.91 115.64 105.49 1n3b s THR 161 Ca 0.66 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 61.25 1n3b s THR 161 Cb -0.21 -3.08 0.12 0.00 1.34 0.00 0.00 72.50 70.68 1n3b s THR 161 CO 0.50 -0.26 1.85 -0.09 -0.54 0.00 0.00 174.62 176.08 1n3b h ARG 162 N -1.07 0.80 -0.40 3.99 2.43 -1.97 -2.29 114.38 115.87 1n3b h ARG 162 Ca -0.47 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.59 1n3b h ARG 162 Cb 1.30 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1n3b h ARG 162 CO 0.63 0.53 -0.03 0.93 -1.51 0.00 0.00 179.97 180.52 1n3b h GLU 163 N 0.82 0.65 -0.64 0.20 3.07 -1.99 -1.31 114.58 115.39 1n3b h GLU 163 Ca 0.26 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 1n3b h GLU 163 Cb -0.01 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.79 1n3b h GLU 163 CO -0.09 0.69 0.12 0.00 -1.40 0.00 0.00 179.01 178.33 1n3b h ALA 164 N 1.36 0.99 -0.28 3.43 0.00 -1.81 -0.66 119.26 122.28 1n3b h ALA 164 Ca 0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1n3b h ALA 164 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1n3b h ALA 164 CO 0.02 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 1n3b h ARG 165 N 0.98 0.63 -0.17 0.00 3.08 -1.06 -3.01 114.38 114.83 1n3b h ARG 165 Ca 0.20 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1n3b h ARG 165 Cb 0.40 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1n3b h ARG 165 CO 0.01 0.89 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.65 1n3b h LEU 166 N 0.37 0.24 -1.72 3.04 3.38 -1.06 -2.51 115.31 117.04 1n3b h LEU 166 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1n3b h LEU 166 Cb 0.73 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1n3b h LEU 166 CO 0.05 0.36 -0.02 0.00 0.09 0.00 0.00 178.44 178.92 1n3b h ALA 167 N 1.67 1.78 -0.23 1.53 0.00 -0.98 -2.60 119.26 120.43 1n3b h ALA 167 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n3b h ALA 167 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n3b h ALA 167 CO 0.02 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.77 1n3b n VAL 168 N -4.43 0.36 -2.82 0.00 0.24 -0.98 -5.00 118.33 105.71 1n3b n VAL 168 Ca -0.01 -0.68 -0.40 0.00 -2.04 0.00 0.00 64.34 61.20 1n3b n VAL 168 Cb 0.15 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.54 1n3b n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n3b s ALA 169 N -1.38 3.35 -0.11 2.33 0.00 -0.98 -4.75 121.76 120.22 1n3b s ALA 169 Ca 0.29 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 1n3b s ALA 169 Cb 0.18 -3.15 -0.26 0.00 0.00 0.00 0.00 23.12 19.88 1n3b s ALA 169 CO 0.25 0.17 0.42 -0.44 0.00 0.00 0.00 175.76 176.16 1n3b h ASP 170 N 4.59 0.40 -4.30 0.00 3.32 -1.23 -3.48 116.42 115.71 1n3b h ASP 170 Ca -0.45 -0.88 -0.38 0.00 0.02 0.00 0.00 57.03 55.34 1n3b h ASP 170 Cb 1.20 -0.13 -0.19 0.00 0.22 0.00 0.00 39.33 40.43 1n3b h ASP 170 CO 0.68 1.78 -0.75 -1.81 -1.72 0.00 0.00 179.24 177.42 1n3b s ASP 171 N -6.99 1.69 -0.01 6.45 1.01 -0.73 -5.02 116.67 113.07 1n3b s ASP 171 Ca -0.20 -0.75 0.03 0.00 0.71 0.00 0.00 52.55 52.34 1n3b s ASP 171 Cb 0.07 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.95 1n3b s ASP 171 CO 0.78 -0.17 -0.11 -0.69 0.21 0.00 0.00 175.17 175.20 1n3b s VAL 172 N -1.97 0.87 -0.09 -1.27 1.01 -1.26 -1.08 120.40 116.61 1n3b s VAL 172 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1n3b s VAL 172 Cb -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1n3b s VAL 172 CO 0.02 0.25 -0.11 -0.51 0.00 0.00 0.00 175.10 174.75 1n3b s ILE 173 N -0.19 1.15 0.05 2.22 2.07 0.01 -4.95 121.20 121.56 1n3b s ILE 173 Ca 0.03 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.54 1n3b s ILE 173 Cb -0.05 -1.10 -0.05 0.00 0.13 0.00 0.00 42.46 41.39 1n3b s ILE 173 CO -0.00 0.38 1.15 -0.62 -1.91 0.00 0.00 174.94 173.93 1n3b s ASP 174 N 1.18 7.14 -0.27 4.50 -1.08 -1.26 -0.35 116.67 126.53 1n3b s ASP 174 Ca -0.04 1.95 0.16 0.00 -0.52 0.00 0.00 52.55 54.10 1n3b s ASP 174 Cb -0.14 -2.58 0.49 0.00 -1.46 0.00 0.00 42.92 39.23 1n3b s ASP 174 CO -0.03 -0.42 1.14 -3.20 0.52 0.00 0.00 175.17 173.18 1n3b n ASN 175 N 3.86 2.96 0.22 -0.34 4.05 -0.36 -4.80 115.26 120.85 1n3b n ASN 175 Ca 0.08 -2.74 0.11 0.00 0.45 0.00 0.00 54.58 52.48 1n3b n ASN 175 Cb 0.47 -0.42 0.28 0.00 1.23 0.00 0.00 39.78 41.34 1n3b n ASN 175 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1n3b h ASN 176 N 2.44 0.00 0.00 1.20 2.35 -1.91 -3.46 115.58 116.20 1n3b h ASN 176 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1n3b h ASN 176 Cb 1.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.75 1n3b h ASN 176 CO 0.42 0.12 0.00 0.61 -1.65 0.00 0.00 177.43 176.93 1n3b n GLY 177 N 0.79 1.55 3.96 2.83 0.00 -1.26 -5.07 105.19 107.99 1n3b n GLY 177 Ca 0.02 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 1n3b n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b s ALA 178 N -3.15 3.83 0.29 4.61 0.00 -1.26 -5.02 121.76 121.06 1n3b s ALA 178 Ca 0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1n3b s ALA 178 Cb 0.00 -1.98 0.67 0.00 0.00 0.00 0.00 23.12 21.81 1n3b s ALA 178 CO 0.00 -0.05 1.79 -1.35 0.00 0.00 0.00 175.76 176.16 1n3b h PRO 179 N 0.78 0.81 0.00 0.00 0.11 -1.99 -1.71 132.00 130.00 1n3b h PRO 179 Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1n3b h PRO 179 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1n3b h PRO 179 CO 0.59 0.54 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.39 1n3b h ASP 180 N 0.83 0.00 0.16 -2.05 3.32 -2.01 -2.53 116.42 114.15 1n3b h ASP 180 Ca 0.55 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.60 1n3b h ASP 180 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1n3b h ASP 180 CO -0.35 0.08 -0.01 0.00 -1.72 0.00 0.00 179.24 177.25 1n3b h ALA 181 N 1.92 1.12 0.00 3.45 0.00 -1.70 -2.38 119.26 121.66 1n3b h ALA 181 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n3b h ALA 181 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1n3b h ALA 181 CO 0.01 0.01 -0.93 0.44 0.00 0.00 0.00 179.25 178.79 1n3b n ILE 182 N -3.27 0.07 -0.23 0.00 -5.35 -0.95 -4.51 119.36 105.13 1n3b n ILE 182 Ca -0.02 -0.12 0.01 0.00 -0.27 0.00 0.00 62.75 62.35 1n3b n ILE 182 Cb 0.12 0.44 0.10 0.00 -1.74 0.00 0.00 39.64 38.55 1n3b n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n3b h ALA 183 N 2.76 0.56 -0.41 -1.28 0.00 -1.53 0.68 119.26 120.04 1n3b h ALA 183 Ca 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1n3b h ALA 183 Cb 0.62 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1n3b h ALA 183 CO 0.00 -0.42 0.20 1.03 0.00 0.00 0.00 179.25 180.06 1n3b h SER 184 N 0.04 0.54 -0.46 0.00 0.87 -1.79 -1.18 113.55 111.58 1n3b h SER 184 Ca 0.34 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1n3b h SER 184 Cb 0.56 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1n3b h SER 184 CO -0.65 0.52 0.10 0.44 -0.53 0.00 0.00 176.83 176.71 1n3b h ASP 185 N 0.53 0.71 -0.65 6.23 3.32 -1.57 -1.97 116.42 123.01 1n3b h ASP 185 Ca 0.14 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1n3b h ASP 185 Cb 0.12 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1n3b h ASP 185 CO -0.02 0.77 0.34 0.58 -1.72 0.00 0.00 179.24 179.19 1n3b h VAL 186 N 0.61 1.21 -0.81 -1.35 2.07 -0.75 -0.46 116.25 116.77 1n3b h VAL 186 Ca 0.14 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1n3b h VAL 186 Cb 0.34 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1n3b h VAL 186 CO 0.00 0.23 0.48 0.00 0.02 0.00 0.00 177.57 178.31 1n3b h ALA 187 N 1.16 1.04 -0.22 1.67 0.00 -1.02 0.10 119.26 122.00 1n3b h ALA 187 Ca 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1n3b h ALA 187 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n3b h ALA 187 CO -0.03 0.51 0.02 -0.09 0.00 0.00 0.00 179.25 179.66 1n3b h ARG 188 N 1.12 0.37 -0.59 0.00 2.43 -1.03 -1.53 114.38 115.16 1n3b h ARG 188 Ca 0.29 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1n3b h ARG 188 Cb -0.03 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1n3b h ARG 188 CO -0.05 0.54 0.39 -0.07 -1.51 0.00 0.00 179.97 179.26 1n3b h LEU 189 N 0.15 0.67 -0.39 3.80 3.38 -0.82 -2.14 115.31 119.96 1n3b h LEU 189 Ca 0.06 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1n3b h LEU 189 Cb 0.36 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1n3b h LEU 189 CO 0.01 0.49 0.08 -0.74 0.09 0.00 0.00 178.44 178.36 1n3b h HIS 190 N 0.80 0.13 -0.84 1.13 2.76 -0.64 0.37 115.15 118.85 1n3b h HIS 190 Ca 0.22 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1n3b h HIS 190 Cb -0.09 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.83 1n3b h HIS 190 CO -0.03 0.01 0.50 0.00 -1.30 0.00 0.00 177.93 177.12 1n3b h ALA 191 N 1.29 1.08 -0.35 5.26 0.00 -1.00 -0.77 119.26 124.77 1n3b h ALA 191 Ca 0.19 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1n3b h ALA 191 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n3b h ALA 191 CO -0.25 0.54 -0.35 1.25 0.00 0.00 0.00 179.25 180.45 1n3b h HIS 192 N 1.16 1.03 -0.10 0.00 6.17 -0.67 -2.60 115.15 120.14 1n3b h HIS 192 Ca 0.30 -0.31 -0.06 0.00 0.71 0.00 0.00 60.37 61.01 1n3b h HIS 192 Cb -0.04 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 29.66 1n3b h HIS 192 CO -0.00 1.11 -0.23 1.88 0.71 0.00 0.00 177.93 181.40 1n3b h TYR 193 N 0.66 0.18 -0.32 5.26 0.05 0.05 -0.08 116.97 122.76 1n3b h TYR 193 Ca 0.06 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 1n3b h TYR 193 Cb 0.94 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 1n3b h TYR 193 CO 0.07 0.39 -0.31 -0.07 -1.05 0.00 0.00 178.16 177.19 1n3b h LEU 194 N 0.15 0.72 -0.17 3.88 3.38 -1.03 0.62 115.31 122.86 1n3b h LEU 194 Ca 0.03 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1n3b h LEU 194 Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1n3b h LEU 194 CO 0.03 0.98 0.04 -0.61 0.09 0.00 0.00 178.44 178.97 1n3b h GLN 195 N 0.59 0.27 -0.81 1.13 5.75 -0.97 -0.22 115.11 120.85 1n3b h GLN 195 Ca 0.07 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1n3b h GLN 195 Cb 0.82 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.30 1n3b h GLN 195 CO 0.07 0.42 0.34 -0.07 -2.65 0.00 0.00 178.83 176.94 1n3b h LEU 196 N 0.07 1.11 -1.21 -2.39 3.38 -0.94 -2.29 115.31 113.04 1n3b h LEU 196 Ca 0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1n3b h LEU 196 Cb 0.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1n3b h LEU 196 CO 0.00 0.97 -0.15 0.00 0.09 0.00 0.00 178.44 179.35 1n3b h ALA 197 N 1.18 1.35 0.00 1.53 0.00 -0.68 -0.80 119.26 121.84 1n3b h ALA 197 Ca 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1n3b h ALA 197 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n3b h ALA 197 CO -0.03 0.44 -0.24 0.66 0.00 0.00 0.00 179.25 180.08 1n3b h SER 198 N 0.34 0.00 0.00 0.00 4.64 -0.47 -3.34 113.55 114.71 1n3b h SER 198 Ca 0.06 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1n3b h SER 198 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1n3b h SER 198 CO 0.03 0.24 -1.52 0.00 -0.87 0.00 0.00 176.83 174.71 1n3b n GLN 199 N -3.36 0.68 -0.21 4.77 10.64 -1.04 -4.79 117.38 124.07 1n3b n GLN 199 Ca 0.00 -0.08 0.10 0.00 -1.83 0.00 0.00 57.00 55.19 1n3b n GLN 199 Cb 0.46 -1.26 0.39 0.00 -0.86 0.00 0.00 30.24 28.98 1n3b n GLN 199 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1n3b h PHE 200 N 0.00 0.73 -0.34 2.61 -5.15 -1.28 -1.52 116.94 111.98 1n3b h PHE 200 Ca -0.05 0.02 -0.03 0.00 -0.20 0.00 0.00 57.97 57.71 1n3b h PHE 200 Cb 0.69 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 36.61 1n3b h PHE 200 CO 0.00 0.33 0.10 0.28 -2.00 0.00 0.00 178.31 177.01 1n3b h VAL 201 N 0.67 1.21 -0.19 0.88 2.07 -1.86 -3.21 116.25 115.81 1n3b h VAL 201 Ca 0.37 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1n3b h VAL 201 Cb 0.52 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1n3b h VAL 201 CO -0.14 0.24 0.00 -1.20 0.02 0.00 0.00 177.57 176.49 1n3b n SER 202 N -4.64 3.07 -4.62 0.57 7.64 -1.16 -4.96 113.62 109.52 1n3b n SER 202 Ca -0.01 -1.96 -0.43 0.00 1.01 0.00 0.00 58.87 57.47 1n3b n SER 202 Cb 0.18 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1n3b n SER 202 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1n3b n GLN 203 N 1.31 2.27 -0.04 1.43 7.27 -0.58 -4.88 117.38 124.15 1n3b n GLN 203 Ca 0.17 0.73 -0.16 0.00 0.07 0.00 0.00 57.00 57.81 1n3b n GLN 203 Cb 0.58 -3.08 -0.07 0.00 2.41 0.00 0.00 30.24 30.08 1n3b n GLN 203 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1n3b h GLU 204 N 12.97 0.67 -6.62 3.69 5.08 -1.93 -3.45 114.58 125.00 1n3b h GLU 204 Ca -0.44 -0.50 -0.69 0.00 -1.00 0.00 0.00 59.36 56.74 1n3b h GLU 204 Cb 1.25 0.09 -0.23 0.00 0.50 0.00 0.00 28.75 30.35 1n3b h GLU 204 CO 0.96 1.12 -0.82 0.15 -1.00 0.00 0.00 179.01 179.41 1n3b s LYS 205 N -3.86 2.00 0.00 2.33 1.02 -1.26 -5.26 119.74 114.71 1n3b s LYS 205 Ca -0.12 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1n3b s LYS 205 Cb 0.07 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 1n3b s LYS 205 CO 0.86 0.53 0.40 -2.30 -0.92 0.00 0.00 175.35 173.92