#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q n GLN 2 N 0.00 2.74 -3.63 1.61 -0.00 -1.26 -5.00 117.38 111.84 3i1q n GLN 2 Ca 0.00 -4.36 -0.17 0.00 -0.00 0.00 0.00 57.00 52.47 3i1q n GLN 2 Cb 0.00 -2.06 -0.15 0.00 -0.00 0.00 0.00 30.24 28.04 3i1q n GLN 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i1q s LYS 3 N -3.30 0.08 0.09 2.61 -0.14 -1.26 -5.13 119.74 112.68 3i1q s LYS 3 Ca 0.45 0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 55.23 3i1q s LYS 3 Cb 0.35 -0.53 -0.06 0.00 -1.68 0.00 0.00 37.83 35.91 3i1q s LYS 3 CO -0.13 -0.40 1.19 0.54 -0.76 0.00 0.00 175.35 175.79 3i1q s VAL 4 N 2.30 3.96 -0.49 3.17 0.11 -1.26 -4.87 120.40 123.33 3i1q s VAL 4 Ca 0.04 1.46 -0.31 0.00 -2.93 0.00 0.00 61.98 60.24 3i1q s VAL 4 Cb -0.13 -3.94 -0.11 0.00 -1.53 0.00 0.00 36.38 30.67 3i1q s VAL 4 CO -0.07 0.14 2.35 1.57 -3.33 0.00 0.00 175.10 175.76 3i1q n HIS 5 N 3.59 1.41 -0.33 1.54 -0.00 -1.26 -4.79 115.22 115.38 3i1q n HIS 5 Ca 0.08 0.20 0.09 0.00 0.46 0.00 0.00 57.72 58.55 3i1q n HIS 5 Cb 0.46 -2.56 0.26 0.00 -0.12 0.00 0.00 29.99 28.03 3i1q n HIS 5 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3i1q h PRO 6 N 14.83 0.75 -0.01 1.57 0.13 -1.97 -2.40 132.00 144.89 3i1q h PRO 6 Ca -0.24 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i1q h PRO 6 Cb 1.30 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3i1q h PRO 6 CO 1.12 0.50 -0.07 -0.97 -0.23 0.00 0.00 178.00 178.35 3i1q h ASN 7 N 0.77 -0.22 -1.00 1.44 -0.73 -1.86 -2.82 115.58 111.17 3i1q h ASN 7 Ca 0.51 0.03 0.18 0.00 1.87 0.00 0.00 56.30 58.88 3i1q h ASN 7 Cb 0.69 0.08 -0.10 0.00 0.27 0.00 0.00 38.32 39.27 3i1q h ASN 7 CO -0.34 -0.06 0.62 1.23 -0.37 0.00 0.00 177.43 178.50 3i1q h GLY 8 N -0.08 1.67 1.02 1.57 0.00 -1.82 -1.72 103.07 103.71 3i1q h GLY 8 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3i1q h GLY 8 CO -0.05 -0.01 0.07 1.19 0.00 0.00 0.00 176.54 177.73 3i1q h ILE 9 N 0.78 1.26 0.00 2.60 6.09 -1.46 -3.31 117.51 123.47 3i1q h ILE 9 Ca 0.55 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3i1q h ILE 9 Cb 0.84 0.83 0.00 0.00 0.47 0.00 0.00 36.82 38.96 3i1q h ILE 9 CO -0.34 0.36 0.00 0.54 -3.07 0.00 0.00 178.15 175.65 3i1q n ARG 10 N -4.33 0.00 0.00 2.19 5.12 -0.72 -4.50 116.66 114.42 3i1q n ARG 10 Ca 0.02 0.28 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3i1q n ARG 10 Cb 0.28 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 3i1q n ARG 10 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3i1q n LEU 11 N -1.34 0.00 -0.14 0.55 4.77 -0.78 0.34 117.00 120.40 3i1q n LEU 11 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1q n LEU 11 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3i1q n LEU 11 CO 0.00 0.00 0.22 0.61 -1.33 0.00 0.00 177.39 176.89 3i1q n GLY 12 N 0.00 -0.76 3.49 -0.72 0.00 -1.26 -3.45 105.19 102.49 3i1q n GLY 12 Ca 0.00 0.42 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 3i1q n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1q s ILE 13 N -5.36 2.41 -0.40 -0.61 -0.00 0.15 -4.83 121.20 112.56 3i1q s ILE 13 Ca -0.05 -2.34 0.00 0.00 -0.00 0.00 0.00 60.65 58.25 3i1q s ILE 13 Cb 0.08 -2.41 0.00 0.00 -0.00 0.00 0.00 42.46 40.13 3i1q s ILE 13 CO 0.27 -0.34 0.00 1.33 -0.00 0.00 0.00 174.94 176.20 3i1q n VAL 14 N -0.68 -0.16 -3.64 8.37 0.24 -1.26 -4.63 118.33 116.57 3i1q n VAL 14 Ca -0.05 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 3i1q n VAL 14 Cb 0.61 -0.58 -0.07 0.00 -1.47 0.00 0.00 33.84 32.33 3i1q n VAL 14 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i1q s LYS 15 N -4.39 0.50 0.00 7.34 2.20 -1.22 -4.73 119.74 119.44 3i1q s LYS 15 Ca 0.00 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 3i1q s LYS 15 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 3i1q s LYS 15 CO 0.00 -0.10 0.00 -0.35 -0.36 0.00 0.00 175.35 174.54 3i1q n PRO 16 N 3.85 0.00 0.00 4.03 -0.04 -1.26 -4.12 135.00 137.46 3i1q n PRO 16 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3i1q n PRO 16 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 3i1q n PRO 16 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3i1q n TRP 17 N 0.00 0.00 -0.60 0.54 -0.00 -1.26 -4.81 117.44 111.31 3i1q n TRP 17 Ca 0.00 0.00 0.48 0.00 -0.00 0.00 0.00 57.50 57.98 3i1q n TRP 17 Cb 0.00 0.00 0.76 0.00 -0.00 0.00 0.00 31.31 32.07 3i1q n TRP 17 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3i1q h ASN 18 N 0.00 0.00 -3.45 5.87 4.21 -1.95 -3.21 115.58 117.05 3i1q h ASN 18 Ca 0.00 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 3i1q h ASN 18 Cb 0.00 0.00 -0.38 0.00 -1.12 0.00 0.00 38.32 36.82 3i1q h ASN 18 CO 0.00 0.00 -0.78 -0.55 -1.29 0.00 0.00 177.43 174.81 3i1q s SER 19 N -3.95 3.29 -0.35 5.81 0.15 -1.26 -0.58 113.70 116.81 3i1q s SER 19 Ca -0.05 -0.92 0.08 0.00 0.70 0.00 0.00 55.95 55.76 3i1q s SER 19 Cb 0.25 -0.94 0.45 0.00 -1.71 0.00 0.00 66.02 64.06 3i1q s SER 19 CO 0.82 -0.24 1.14 1.07 1.20 0.00 0.00 173.24 177.23 3i1q n THR 20 N 4.83 2.26 -2.51 6.45 5.66 0.33 -4.94 114.28 126.36 3i1q n THR 20 Ca -0.11 -4.30 -0.06 0.00 -3.05 0.00 0.00 64.05 56.53 3i1q n THR 20 Cb 0.46 -0.85 0.03 0.00 -1.55 0.00 0.00 70.33 68.42 3i1q n THR 20 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 3i1q n TRP 21 N -0.57 -3.14 -4.35 1.09 4.27 -1.24 -4.85 117.44 108.65 3i1q n TRP 21 Ca 0.37 -0.52 -0.18 0.00 -3.89 0.00 0.00 57.50 53.27 3i1q n TRP 21 Cb 0.83 -0.19 -0.10 0.00 -1.36 0.00 0.00 31.31 30.48 3i1q n TRP 21 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3i1q s PHE 22 N -0.53 1.62 0.00 -2.67 5.36 -1.26 -4.98 117.98 115.52 3i1q s PHE 22 Ca 0.18 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3i1q s PHE 22 Cb -0.01 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 3i1q s PHE 22 CO 0.12 -0.05 0.00 0.00 -1.46 0.00 0.00 175.22 173.83 3i1q n ALA 23 N -0.46 0.00 -2.36 11.12 0.00 -1.26 -4.89 120.51 122.66 3i1q n ALA 23 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 3i1q n ALA 23 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 3i1q n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3i1q s ASN 24 N -0.88 1.61 0.16 0.00 3.04 -1.26 -4.97 114.94 112.63 3i1q s ASN 24 Ca 0.00 -0.91 -0.11 0.00 0.04 0.00 0.00 52.86 51.88 3i1q s ASN 24 Cb 0.00 0.00 0.18 0.00 -1.54 0.00 0.00 41.25 39.89 3i1q s ASN 24 CO 0.00 -0.30 1.03 0.41 -3.04 0.00 0.00 177.10 175.20 3i1q n THR 25 N 0.20 -0.34 -0.29 -5.21 -1.04 -1.26 -0.63 114.28 105.71 3i1q n THR 25 Ca -0.13 1.54 -0.08 0.00 -2.04 0.00 0.00 64.05 63.34 3i1q n THR 25 Cb 0.59 -2.05 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 3i1q n THR 25 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1q n LYS 26 N -4.99 -0.30 0.00 -2.82 4.76 -1.26 -2.25 118.16 111.31 3i1q n LYS 26 Ca 0.07 1.28 0.11 0.00 -2.87 0.00 0.00 58.31 56.90 3i1q n LYS 26 Cb 0.27 -1.89 -0.05 0.00 -1.84 0.00 0.00 35.03 31.52 3i1q n LYS 26 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3i1q n GLU 27 N -4.58 0.10 0.18 1.97 0.00 -0.52 -4.37 120.64 113.42 3i1q n GLU 27 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 57.16 57.28 3i1q n GLU 27 Cb 0.18 -1.51 0.64 0.00 0.00 0.00 0.00 31.44 30.75 3i1q n GLU 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i1q h PHE 28 N 0.00 0.00 0.00 -1.84 3.57 -0.41 0.46 116.94 118.71 3i1q h PHE 28 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3i1q h PHE 28 Cb 0.58 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3i1q h PHE 28 CO 0.00 0.00 -0.13 0.00 -2.23 0.00 0.00 178.31 175.95 3i1q h ALA 29 N 2.03 0.01 -0.63 2.41 0.00 -1.76 -1.99 119.26 119.32 3i1q h ALA 29 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i1q h ALA 29 Cb 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i1q h ALA 29 CO 0.00 0.12 0.40 -0.44 0.00 0.00 0.00 179.25 179.32 3i1q h ASP 30 N -1.00 0.74 -0.54 0.00 5.19 -1.77 -0.57 116.42 118.47 3i1q h ASP 30 Ca -0.01 -0.04 0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3i1q h ASP 30 Cb 0.22 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 3i1q h ASP 30 CO -0.01 0.57 0.34 -1.13 -3.12 0.00 0.00 179.24 175.89 3i1q h ASN 31 N 0.85 0.55 -0.22 6.45 -1.24 -0.24 -0.11 115.58 121.62 3i1q h ASN 31 Ca 0.23 -0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.13 3i1q h ASN 31 Cb -0.05 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 3i1q h ASN 31 CO -0.05 0.39 -0.21 0.25 -1.29 0.00 0.00 177.43 176.52 3i1q h LEU 32 N 0.67 0.68 0.00 0.34 5.85 -1.12 -0.50 115.31 121.23 3i1q h LEU 32 Ca 0.22 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3i1q h LEU 32 Cb 0.00 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3i1q h LEU 32 CO -0.09 0.88 0.00 -0.67 -0.34 0.00 0.00 178.44 178.23 3i1q n ASP 33 N -4.13 0.00 -0.32 1.25 4.64 -0.24 -2.41 116.55 115.33 3i1q n ASP 33 Ca 0.00 0.88 0.22 0.00 -1.38 0.00 0.00 54.79 54.51 3i1q n ASP 33 Cb 0.41 -0.40 0.44 0.00 -1.04 0.00 0.00 41.12 40.53 3i1q n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.82 0.00 0.00 177.20 175.10 3i1q h SER 34 N 0.00 0.32 0.00 1.67 0.87 -1.10 -0.72 113.55 114.59 3i1q h SER 34 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3i1q h SER 34 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3i1q h SER 34 CO 0.00 -0.19 0.00 -0.67 -0.53 0.00 0.00 176.83 175.44 3i1q n ASP 35 N -5.14 0.00 -1.00 6.23 2.03 -0.20 -0.22 116.55 118.25 3i1q n ASP 35 Ca 0.30 0.91 0.00 0.00 0.52 0.00 0.00 54.79 56.52 3i1q n ASP 35 Cb 0.94 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3i1q n ASP 35 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3i1q n PHE 36 N -2.62 0.00 -0.00 -0.67 -0.00 -0.31 -3.11 117.46 110.75 3i1q n PHE 36 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 57.45 56.97 3i1q n PHE 36 Cb 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.48 39.22 3i1q n PHE 36 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i1q n LYS 37 N 0.53 1.19 0.05 -4.13 4.81 0.69 -4.23 118.16 117.07 3i1q n LYS 37 Ca 0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.39 3i1q n LYS 37 Cb 0.48 -1.04 -0.09 0.00 0.02 0.00 0.00 35.03 34.40 3i1q n LYS 37 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3i1q h VAL 38 N 0.00 1.00 -0.30 3.15 -1.51 -1.39 -3.24 116.25 113.96 3i1q h VAL 38 Ca -0.01 -2.62 -0.01 0.00 -1.23 0.00 0.00 66.70 62.83 3i1q h VAL 38 Cb 0.39 2.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 3i1q h VAL 38 CO 0.00 0.57 0.16 0.03 -1.23 0.00 0.00 177.57 177.10 3i1q h ARG 39 N 0.00 0.42 -0.41 5.19 3.08 -1.79 0.69 114.38 121.57 3i1q h ARG 39 Ca -0.12 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.93 3i1q h ARG 39 Cb 1.71 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.63 3i1q h ARG 39 CO 0.08 0.37 0.14 0.37 -1.07 0.00 0.00 179.97 179.86 3i1q h GLN 40 N 0.37 0.29 -0.25 0.04 -0.00 -1.73 0.37 115.11 114.19 3i1q h GLN 40 Ca 0.11 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.59 3i1q h GLN 40 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 3i1q h GLN 40 CO -0.02 0.19 -0.45 -0.92 0.00 0.00 0.00 178.83 177.63 3i1q h TYR 41 N 0.30 0.79 0.02 3.99 5.03 -1.54 -3.15 116.97 122.39 3i1q h TYR 41 Ca 0.19 -0.25 -0.20 0.00 2.58 0.00 0.00 58.73 61.05 3i1q h TYR 41 Cb 0.18 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 3i1q h TYR 41 CO -0.15 0.98 -0.92 1.25 -1.32 0.00 0.00 178.16 178.00 3i1q h LEU 42 N 0.52 0.22 0.00 2.82 5.85 0.12 -2.88 115.31 121.95 3i1q h LEU 42 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3i1q h LEU 42 Cb 0.99 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3i1q h LEU 42 CO 0.09 1.02 -0.35 0.71 -0.34 0.00 0.00 178.44 179.57 3i1q h THR 43 N 0.08 0.00 0.68 1.05 1.35 -1.08 -2.82 112.91 112.17 3i1q h THR 43 Ca -0.05 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 64.98 3i1q h THR 43 Cb 1.57 1.60 0.01 0.00 -1.73 0.00 0.00 68.15 69.60 3i1q h THR 43 CO 0.14 0.00 -0.33 0.50 -0.25 0.00 0.00 175.52 175.58 3i1q h LYS 44 N 0.00 -0.88 0.63 4.72 3.64 -1.47 -1.67 116.57 121.54 3i1q h LYS 44 Ca 0.00 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3i1q h LYS 44 Cb 0.90 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3i1q h LYS 44 CO 0.00 -0.56 -0.36 0.93 -2.27 0.00 0.00 179.45 177.19 3i1q h GLU 45 N -1.03 -0.89 -0.49 1.90 4.39 -1.61 -2.82 114.58 114.03 3i1q h GLU 45 Ca -0.09 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3i1q h GLU 45 Cb 0.73 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3i1q h GLU 45 CO 0.15 -0.59 0.00 1.28 -1.16 0.00 0.00 179.01 178.69 3i1q n LEU 46 N -4.68 0.49 -0.32 1.33 4.77 -1.06 -3.75 117.00 113.78 3i1q n LEU 46 Ca -0.11 -0.25 0.03 0.00 -0.03 0.00 0.00 56.01 55.65 3i1q n LEU 46 Cb 0.38 -0.25 0.17 0.00 -2.33 0.00 0.00 43.42 41.39 3i1q n LEU 46 CO 0.27 0.12 1.19 0.00 -1.33 0.00 0.00 177.39 177.64 3i1q h ALA 47 N 1.56 1.26 0.00 -1.18 0.00 -1.03 -1.52 119.26 118.34 3i1q h ALA 47 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3i1q h ALA 47 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i1q h ALA 47 CO 0.00 0.23 -0.90 0.87 0.00 0.00 0.00 179.25 179.45 3i1q h LYS 48 N 0.94 0.00 0.00 0.00 1.57 -1.84 -3.26 116.57 113.98 3i1q h LYS 48 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 3i1q h LYS 48 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i1q h LYS 48 CO -0.21 0.21 0.06 0.00 -0.57 0.00 0.00 179.45 178.93 3i1q n ALA 49 N -2.25 0.94 -3.47 3.86 0.00 -0.59 -4.82 120.51 114.18 3i1q n ALA 49 Ca -0.02 0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 3i1q n ALA 49 Cb 0.69 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 19.09 3i1q n ALA 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i1q n SER 50 N -1.95 -4.23 -4.77 0.00 2.88 -1.13 -4.19 113.62 100.22 3i1q n SER 50 Ca -0.01 -0.77 -0.40 0.00 -1.33 0.00 0.00 58.87 56.36 3i1q n SER 50 Cb 0.08 -4.60 -0.06 0.00 -0.75 0.00 0.00 64.21 58.88 3i1q n SER 50 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i1q s VAL 51 N -3.46 4.33 -0.18 2.46 0.11 -1.24 -3.17 120.40 119.25 3i1q s VAL 51 Ca 0.27 1.79 0.22 0.00 -2.93 0.00 0.00 61.98 61.33 3i1q s VAL 51 Cb -0.05 -4.18 -0.21 0.00 -1.53 0.00 0.00 36.38 30.40 3i1q s VAL 51 CO 0.78 0.50 0.72 -1.54 -3.33 0.00 0.00 175.10 172.23 3i1q n SER 52 N 1.70 0.35 0.00 3.54 3.41 -1.14 -4.83 113.62 116.65 3i1q n SER 52 Ca -0.04 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i1q n SER 52 Cb 0.48 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.81 3i1q n SER 52 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3i1q n ARG 53 N -2.33 0.00 -3.74 4.33 0.63 -1.25 -4.72 116.66 109.58 3i1q n ARG 53 Ca -0.02 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.78 3i1q n ARG 53 Cb 0.54 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.32 3i1q n ARG 53 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 3i1q s ILE 54 N -2.00 -0.04 -0.05 5.15 -4.36 -1.26 -2.04 121.20 116.59 3i1q s ILE 54 Ca 0.00 0.13 0.01 0.00 -0.26 0.00 0.00 60.65 60.54 3i1q s ILE 54 Cb 0.00 -0.34 -0.03 0.00 1.25 0.00 0.00 42.46 43.34 3i1q s ILE 54 CO 0.00 0.06 -0.07 -0.69 0.24 0.00 0.00 174.94 174.48 3i1q s VAL 55 N 1.08 3.70 0.00 8.37 1.01 -0.63 -4.79 120.40 129.15 3i1q s VAL 55 Ca -0.08 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.43 3i1q s VAL 55 Cb -0.09 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3i1q s VAL 55 CO -0.07 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 3i1q s ILE 56 N -0.85 1.63 -0.06 2.22 1.01 0.25 -0.31 121.20 125.09 3i1q s ILE 56 Ca 0.13 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 3i1q s ILE 56 Cb -0.11 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.02 3i1q s ILE 56 CO 0.03 0.38 0.36 -1.83 0.00 0.00 0.00 174.94 173.88 3i1q s GLU 57 N -0.69 0.61 -0.85 2.79 1.03 -1.26 -0.51 118.70 119.81 3i1q s GLU 57 Ca 0.08 0.10 -0.05 0.00 0.03 0.00 0.00 54.97 55.13 3i1q s GLU 57 Cb -0.08 0.28 0.22 0.00 -0.80 0.00 0.00 34.13 33.74 3i1q s GLU 57 CO -0.00 -0.14 0.75 1.03 -1.33 0.00 0.00 175.26 175.57 3i1q s ARG 58 N -0.75 3.31 -0.96 -4.83 1.81 -1.26 -0.44 118.95 115.84 3i1q s ARG 58 Ca -0.08 -2.96 -0.25 0.00 -1.72 0.00 0.00 55.73 50.72 3i1q s ARG 58 Cb -0.04 -4.08 -0.09 0.00 -0.45 0.00 0.00 34.95 30.30 3i1q s ARG 58 CO 0.03 -1.24 2.04 -1.25 -0.68 0.00 0.00 175.30 174.20 3i1q s PRO 59 N -0.79 2.25 -0.01 3.54 0.04 -1.19 -4.61 135.00 134.24 3i1q s PRO 59 Ca 0.24 -0.37 -0.01 0.00 0.04 0.00 0.00 61.00 60.91 3i1q s PRO 59 Cb -0.11 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.38 3i1q s PRO 59 CO -0.09 -3.89 0.01 0.00 0.04 0.00 0.00 177.00 173.07 3i1q n ALA 60 N 15.40 -1.17 -4.13 8.56 0.00 -1.26 -3.45 120.51 134.46 3i1q n ALA 60 Ca 0.43 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 3i1q n ALA 60 Cb 0.46 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 3i1q n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1q n LYS 61 N 2.30 -1.45 -3.26 0.00 4.76 -1.26 -4.87 118.16 114.38 3i1q n LYS 61 Ca -0.02 0.20 0.02 0.00 -2.87 0.00 0.00 58.31 55.64 3i1q n LYS 61 Cb 0.03 -3.66 0.01 0.00 -1.84 0.00 0.00 35.03 29.57 3i1q n LYS 61 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1q n SER 62 N -2.75 -0.71 -3.74 4.39 2.88 -1.22 -4.56 113.62 107.90 3i1q n SER 62 Ca -0.26 -1.08 -0.13 0.00 -1.33 0.00 0.00 58.87 56.07 3i1q n SER 62 Cb 0.66 1.08 -0.11 0.00 -0.75 0.00 0.00 64.21 65.09 3i1q n SER 62 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 3i1q s ILE 63 N -2.03 -0.01 -0.02 2.46 2.07 -1.14 -3.15 121.20 119.38 3i1q s ILE 63 Ca 0.20 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.46 3i1q s ILE 63 Cb -0.00 -0.49 -0.00 0.00 0.13 0.00 0.00 42.46 42.10 3i1q s ILE 63 CO -0.01 0.01 -0.02 -0.09 -1.91 0.00 0.00 174.94 172.92 3i1q h ARG 64 N 5.99 0.00 -4.18 3.50 2.43 -1.02 -3.18 114.38 117.92 3i1q h ARG 64 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3i1q h ARG 64 Cb 1.18 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3i1q h ARG 64 CO 0.30 0.00 -0.71 0.28 -1.51 0.00 0.00 179.97 178.33 3i1q n VAL 65 N -2.49 -8.15 -2.92 0.20 0.31 -1.25 -3.39 118.33 100.65 3i1q n VAL 65 Ca -0.01 1.28 -0.25 0.00 -0.01 0.00 0.00 64.34 65.36 3i1q n VAL 65 Cb 0.02 -5.52 0.01 0.00 -0.91 0.00 0.00 33.84 27.44 3i1q n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i1q s THR 66 N -0.71 4.46 -0.39 2.52 2.01 0.58 -2.74 115.64 121.37 3i1q s THR 66 Ca -0.07 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 61.72 3i1q s THR 66 Cb 0.00 -3.67 0.16 0.00 0.01 0.00 0.00 72.50 69.01 3i1q s THR 66 CO 0.45 -0.54 0.43 -0.63 -0.69 0.00 0.00 174.62 173.65 3i1q s ILE 67 N -2.60 -0.43 0.56 1.82 1.01 -0.97 -1.60 121.20 118.99 3i1q s ILE 67 Ca 0.47 -0.92 -0.21 0.00 0.00 0.00 0.00 60.65 59.99 3i1q s ILE 67 Cb -0.10 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3i1q s ILE 67 CO 0.40 -0.50 1.28 -1.00 0.00 0.00 0.00 174.94 175.13 3i1q s HIS 68 N 1.38 2.36 -0.04 3.97 3.76 -0.87 -3.48 115.29 122.38 3i1q s HIS 68 Ca 0.18 1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 56.25 3i1q s HIS 68 Cb -0.12 -3.65 0.10 0.00 1.11 0.00 0.00 32.58 30.02 3i1q s HIS 68 CO -0.04 -2.54 0.85 -0.08 -0.85 0.00 0.00 174.74 172.08 3i1q s THR 69 N -1.42 0.00 -0.07 1.30 -1.32 -0.21 -2.90 115.64 111.03 3i1q s THR 69 Ca 0.73 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.34 3i1q s THR 69 Cb -0.36 -1.00 -0.23 0.00 -1.51 0.00 0.00 72.50 69.40 3i1q s THR 69 CO 0.41 0.00 0.57 0.00 -2.21 0.00 0.00 174.62 173.39 3i1q n ALA 70 N 0.24 1.47 -3.67 11.08 0.00 -1.19 0.12 120.51 128.56 3i1q n ALA 70 Ca -0.12 -0.83 -0.33 0.00 0.00 0.00 0.00 53.44 52.16 3i1q n ALA 70 Cb 0.60 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 3i1q n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1q n ARG 71 N -3.03 2.46 -0.11 0.00 0.63 -1.26 -4.67 116.66 110.68 3i1q n ARG 71 Ca -0.20 -4.51 0.10 0.00 -0.92 0.00 0.00 57.85 52.32 3i1q n ARG 71 Cb 1.07 -2.36 0.45 0.00 0.45 0.00 0.00 32.46 32.07 3i1q n ARG 71 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3i1q h PRO 72 N 5.57 0.50 -0.22 -0.14 0.13 -1.89 -2.69 132.00 133.27 3i1q h PRO 72 Ca 0.16 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.30 3i1q h PRO 72 Cb 0.77 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 31.71 3i1q h PRO 72 CO 0.83 0.33 -0.55 0.78 -0.23 0.00 0.00 178.00 179.17 3i1q h GLY 73 N 0.52 -1.07 1.91 1.56 0.00 -1.97 -0.22 103.07 103.80 3i1q h GLY 73 Ca 0.29 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.31 3i1q h GLY 73 CO -0.09 -0.17 0.00 4.51 0.00 0.00 0.00 176.54 180.79 3i1q n ILE 74 N -5.39 1.60 0.13 2.60 3.06 -1.01 -0.87 119.36 119.48 3i1q n ILE 74 Ca -0.05 0.40 0.11 0.00 -2.50 0.00 0.00 62.75 60.71 3i1q n ILE 74 Cb 0.36 -1.34 -0.08 0.00 0.54 0.00 0.00 39.64 39.12 3i1q n ILE 74 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 3i1q n VAL 75 N -1.46 0.24 -0.09 9.51 0.31 -0.14 -4.59 118.33 122.12 3i1q n VAL 75 Ca 0.01 -0.47 -0.17 0.00 -0.01 0.00 0.00 64.34 63.70 3i1q n VAL 75 Cb 0.04 -0.07 -0.07 0.00 -0.91 0.00 0.00 33.84 32.83 3i1q n VAL 75 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i1q n ILE 76 N -2.35 0.99 -1.00 2.52 5.41 -0.05 -3.31 119.36 121.58 3i1q n ILE 76 Ca -0.02 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.44 3i1q n ILE 76 Cb 0.54 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 3i1q n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1q n GLY 77 N 2.15 -2.45 3.56 7.39 0.00 -0.46 -0.23 105.19 115.15 3i1q n GLY 77 Ca -0.34 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.43 3i1q n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1q s LYS 78 N -0.35 2.90 -0.08 1.61 2.20 -1.26 -3.20 119.74 121.56 3i1q s LYS 78 Ca 0.00 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 3i1q s LYS 78 Cb 0.00 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 3i1q s LYS 78 CO 0.00 -2.41 0.00 1.63 -0.36 0.00 0.00 175.35 174.21 3i1q n LYS 79 N 8.95 -0.62 0.00 4.03 4.01 -1.26 -3.20 118.16 130.07 3i1q n LYS 79 Ca 0.19 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 3i1q n LYS 79 Cb 0.50 -3.73 0.00 0.00 -0.51 0.00 0.00 35.03 31.29 3i1q n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i1q n GLY 80 N -1.77 1.90 0.13 0.72 0.00 -1.19 -5.05 105.19 99.93 3i1q n GLY 80 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3i1q n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i1q h GLU 81 N 0.00 -0.21 -0.71 1.61 4.22 -1.02 -1.38 114.58 117.09 3i1q h GLU 81 Ca 0.00 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.63 3i1q h GLU 81 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3i1q h GLU 81 CO 0.00 0.18 0.49 -0.44 -2.18 0.00 0.00 179.01 177.06 3i1q h ASP 82 N -0.93 0.19 -0.01 1.04 3.45 -0.86 -1.57 116.42 117.72 3i1q h ASP 82 Ca -0.02 0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.30 3i1q h ASP 82 Cb 0.49 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3i1q h ASP 82 CO 0.04 0.09 -0.57 0.58 -1.57 0.00 0.00 179.24 177.80 3i1q h VAL 83 N 0.20 1.42 0.31 -1.35 2.07 -1.30 -3.30 116.25 114.30 3i1q h VAL 83 Ca 0.35 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 3i1q h VAL 83 Cb 1.08 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 3i1q h VAL 83 CO -0.06 0.59 -0.43 -0.08 0.02 0.00 0.00 177.57 177.61 3i1q h GLU 84 N -0.09 -0.74 -1.37 1.57 4.57 -0.22 -0.98 114.58 117.31 3i1q h GLU 84 Ca -0.07 0.05 0.42 0.00 -1.18 0.00 0.00 59.36 58.58 3i1q h GLU 84 Cb 1.28 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 29.93 3i1q h GLU 84 CO 0.11 -0.49 0.92 1.57 -1.18 0.00 0.00 179.01 179.94 3i1q h LYS 85 N -0.77 0.10 0.10 1.92 2.10 -1.65 -0.23 116.57 118.15 3i1q h LYS 85 Ca -0.04 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 3i1q h LYS 85 Cb 0.70 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 3i1q h LYS 85 CO -0.11 0.07 -0.05 -0.07 -2.00 0.00 0.00 179.45 177.28 3i1q h LEU 86 N 0.10 -0.12 0.00 7.07 3.38 -1.27 -3.20 115.31 121.28 3i1q h LEU 86 Ca 0.77 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3i1q h LEU 86 Cb 2.57 0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.35 3i1q h LEU 86 CO -0.27 0.26 0.00 0.54 0.09 0.00 0.00 178.44 179.06 3i1q n ARG 87 N -4.98 0.00 -0.35 1.13 1.74 -0.10 -1.09 116.66 113.01 3i1q n ARG 87 Ca -0.09 0.91 -0.10 0.00 -0.77 0.00 0.00 57.85 57.81 3i1q n ARG 87 Cb 0.22 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3i1q n ARG 87 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3i1q h LYS 88 N 0.00 -0.08 0.15 5.56 3.64 -1.63 0.12 116.57 124.33 3i1q h LYS 88 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3i1q h LYS 88 Cb 0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3i1q h LYS 88 CO 0.00 -0.05 -0.32 -0.39 -2.27 0.00 0.00 179.45 176.42 3i1q h VAL 89 N -0.08 0.33 -0.43 2.00 -1.51 -1.50 0.35 116.25 115.40 3i1q h VAL 89 Ca 0.17 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.69 3i1q h VAL 89 Cb 0.48 0.33 -0.08 0.00 -2.13 0.00 0.00 31.29 29.88 3i1q h VAL 89 CO -0.87 0.00 -0.55 0.58 -1.23 0.00 0.00 177.57 175.50 3i1q h VAL 90 N -0.56 0.01 -0.05 7.19 2.07 0.78 -1.40 116.25 124.29 3i1q h VAL 90 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3i1q h VAL 90 Cb 0.57 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3i1q h VAL 90 CO -0.17 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 176.94 3i1q h ALA 91 N 0.01 -0.88 0.00 1.67 0.00 -0.81 -2.30 119.26 116.94 3i1q h ALA 91 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i1q h ALA 91 Cb 0.59 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3i1q h ALA 91 CO -0.61 -1.03 0.00 -0.25 0.00 0.00 0.00 179.25 177.36 3i1q n ASP 92 N -5.11 0.00 -0.06 0.00 9.92 0.09 0.34 116.55 121.74 3i1q n ASP 92 Ca -0.06 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.13 3i1q n ASP 92 Cb 0.34 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.76 3i1q n ASP 92 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3i1q n ILE 93 N -0.77 0.70 0.54 0.53 5.41 -0.90 -4.53 119.36 120.34 3i1q n ILE 93 Ca 0.00 -0.32 0.13 0.00 1.00 0.00 0.00 62.75 63.56 3i1q n ILE 93 Cb 0.00 -0.87 0.33 0.00 -0.71 0.00 0.00 39.64 38.38 3i1q n ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1q h ALA 94 N 0.16 0.93 -0.92 -1.39 0.00 0.26 -3.48 119.26 114.82 3i1q h ALA 94 Ca -0.27 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3i1q h ALA 94 Cb 1.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3i1q h ALA 94 CO -0.02 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.46 3i1q n GLY 95 N 1.28 0.21 3.69 0.00 0.00 0.81 -5.01 105.19 106.17 3i1q n GLY 95 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3i1q n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1q s VAL 96 N -2.35 0.00 1.10 1.61 -7.23 -1.21 -5.04 120.40 107.28 3i1q s VAL 96 Ca 0.00 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 58.79 3i1q s VAL 96 Cb 0.00 -2.20 0.25 0.00 0.56 0.00 0.00 36.38 34.99 3i1q s VAL 96 CO 0.00 0.00 1.05 -2.16 -0.31 0.00 0.00 175.10 173.68 3i1q s PRO 97 N -3.83 -0.41 -0.29 4.82 0.04 -1.26 -4.45 135.00 129.61 3i1q s PRO 97 Ca 0.19 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 3i1q s PRO 97 Cb -0.03 -1.63 0.15 0.00 0.04 0.00 0.00 34.50 33.04 3i1q s PRO 97 CO 0.09 -3.34 1.09 0.00 0.04 0.00 0.00 177.00 174.88 3i1q s ALA 98 N -2.68 -2.23 0.83 8.56 0.00 -1.26 -2.90 121.76 122.07 3i1q s ALA 98 Ca 0.67 2.02 -0.04 0.00 0.00 0.00 0.00 51.96 54.60 3i1q s ALA 98 Cb -0.22 -1.68 0.08 0.00 0.00 0.00 0.00 23.12 21.30 3i1q s ALA 98 CO 0.62 -0.28 0.51 1.04 0.00 0.00 0.00 175.76 177.65 3i1q n GLN 99 N 2.93 -0.23 -2.71 0.00 3.00 -1.20 -4.97 117.38 114.20 3i1q n GLN 99 Ca -0.16 -0.98 -0.06 0.00 -0.01 0.00 0.00 57.00 55.79 3i1q n GLN 99 Cb 0.57 -0.47 0.08 0.00 0.00 0.00 0.00 30.24 30.42 3i1q n GLN 99 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 3i1q n ILE 100 N -2.50 0.00 -0.70 5.09 3.06 -1.22 -4.59 119.36 118.51 3i1q n ILE 100 Ca 0.07 -1.11 -0.32 0.00 -2.50 0.00 0.00 62.75 58.90 3i1q n ILE 100 Cb 0.25 1.30 0.16 0.00 0.54 0.00 0.00 39.64 41.89 3i1q n ILE 100 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3i1q n ASN 101 N 1.08 -1.00 -3.44 9.51 3.02 -1.11 -4.87 115.26 118.45 3i1q n ASN 101 Ca 0.03 0.29 -0.27 0.00 -0.03 0.00 0.00 54.58 54.60 3i1q n ASN 101 Cb 0.69 -1.32 -0.11 0.00 -0.61 0.00 0.00 39.78 38.44 3i1q n ASN 101 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3i1q s ILE 102 N -2.49 0.05 0.16 2.41 -5.25 -1.26 -2.28 121.20 112.54 3i1q s ILE 102 Ca 0.62 -1.59 -0.30 0.00 -0.99 0.00 0.00 60.65 58.40 3i1q s ILE 102 Cb -0.22 -1.03 -0.08 0.00 2.95 0.00 0.00 42.46 44.08 3i1q s ILE 102 CO 0.63 -0.92 1.23 0.00 -1.79 0.00 0.00 174.94 174.08 3i1q s ALA 103 N 1.12 3.45 0.23 2.27 0.00 -1.23 -4.92 121.76 122.69 3i1q s ALA 103 Ca 0.18 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 3i1q s ALA 103 Cb -0.21 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 3i1q s ALA 103 CO 0.00 -0.42 0.61 -2.00 0.00 0.00 0.00 175.76 173.95 3i1q s GLU 104 N 0.05 3.94 -0.50 0.00 2.12 -1.26 -1.04 118.70 122.01 3i1q s GLU 104 Ca 0.55 0.48 -0.18 0.00 0.36 0.00 0.00 54.97 56.19 3i1q s GLU 104 Cb -0.33 -2.70 0.06 0.00 0.26 0.00 0.00 34.13 31.43 3i1q s GLU 104 CO 0.35 0.33 0.54 0.08 -0.54 0.00 0.00 175.26 176.03 3i1q s VAL 105 N -1.73 5.00 -0.61 3.70 1.01 0.33 -4.75 120.40 123.36 3i1q s VAL 105 Ca 0.46 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 3i1q s VAL 105 Cb -0.13 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3i1q s VAL 105 CO 0.20 -0.73 1.78 0.00 0.00 0.00 0.00 175.10 176.35 3i1q s ARG 106 N 2.27 2.73 -0.14 2.72 3.03 -1.26 -4.33 118.95 123.97 3i1q s ARG 106 Ca 0.11 0.54 -0.04 0.00 2.03 0.00 0.00 55.73 58.38 3i1q s ARG 106 Cb -0.21 -4.35 0.01 0.00 -1.03 0.00 0.00 34.95 29.37 3i1q s ARG 106 CO 0.10 -2.62 0.07 1.63 -1.13 0.00 0.00 175.30 173.36 3i1q n LYS 107 N 9.17 -2.35 0.24 3.89 5.02 -1.26 -4.90 118.16 127.96 3i1q n LYS 107 Ca 0.18 2.03 0.09 0.00 -2.02 0.00 0.00 58.31 58.59 3i1q n LYS 107 Cb 0.51 -3.44 0.58 0.00 -0.02 0.00 0.00 35.03 32.67 3i1q n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i1q h PRO 108 N 2.06 0.00 -0.31 1.97 0.13 -1.95 -3.11 132.00 130.79 3i1q h PRO 108 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3i1q h PRO 108 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 3i1q h PRO 108 CO 0.03 0.19 0.00 0.39 -0.23 0.00 0.00 178.00 178.38 3i1q n GLU 109 N -3.89 0.59 0.00 0.86 4.71 -1.26 -1.04 120.64 120.61 3i1q n GLU 109 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 3i1q n GLU 109 Cb 0.28 -1.15 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 3i1q n GLU 109 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3i1q n LEU 110 N -0.13 0.01 -4.63 -4.62 7.99 -1.17 -4.66 117.00 109.79 3i1q n LEU 110 Ca 0.00 -0.37 -0.40 0.00 -0.01 0.00 0.00 56.01 55.24 3i1q n LEU 110 Cb 0.08 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.31 3i1q n LEU 110 CO 0.00 0.00 0.21 -0.62 -1.51 0.00 0.00 177.39 175.47 3i1q s ASP 111 N -0.71 6.43 0.06 -1.43 2.15 -0.21 -4.92 116.67 118.04 3i1q s ASP 111 Ca 0.00 0.52 -0.27 0.00 0.43 0.00 0.00 52.55 53.22 3i1q s ASP 111 Cb 0.00 -2.27 -0.13 0.00 -0.30 0.00 0.00 42.92 40.22 3i1q s ASP 111 CO 0.00 -0.24 1.43 0.00 -0.17 0.00 0.00 175.17 176.18 3i1q h ALA 112 N 7.90 -1.08 -1.00 3.66 0.00 -1.84 -1.38 119.26 125.53 3i1q h ALA 112 Ca -0.30 -0.15 0.29 0.00 0.00 0.00 0.00 54.91 54.74 3i1q h ALA 112 Cb 1.15 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 3i1q h ALA 112 CO 0.71 -1.09 0.81 -0.22 0.00 0.00 0.00 179.25 179.46 3i1q h LYS 113 N -0.79 0.00 0.01 0.00 1.63 -1.88 0.58 116.57 116.12 3i1q h LYS 113 Ca -0.05 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3i1q h LYS 113 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 3i1q h LYS 113 CO -0.03 0.00 -0.01 -0.07 -3.45 0.00 0.00 179.45 175.89 3i1q h LEU 114 N 0.00 -0.01 -1.32 5.20 3.38 -1.76 -1.99 115.31 118.81 3i1q h LEU 114 Ca 0.47 -0.80 0.22 0.00 0.09 0.00 0.00 57.88 57.85 3i1q h LEU 114 Cb 2.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.76 3i1q h LEU 114 CO -0.00 0.85 0.62 0.58 0.09 0.00 0.00 178.44 180.58 3i1q h VAL 115 N -0.92 0.65 0.48 1.22 2.07 0.10 0.11 116.25 119.96 3i1q h VAL 115 Ca -0.00 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3i1q h VAL 115 Cb 0.82 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3i1q h VAL 115 CO 0.00 0.09 -0.23 0.00 0.02 0.00 0.00 177.57 177.46 3i1q h ALA 116 N 1.62 -0.84 -1.01 1.67 0.00 -0.23 -0.42 119.26 120.06 3i1q h ALA 116 Ca 0.54 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.53 3i1q h ALA 116 Cb 1.18 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 3i1q h ALA 116 CO -0.27 -0.79 0.61 -0.44 0.00 0.00 0.00 179.25 178.36 3i1q h ASP 117 N -0.88 0.71 0.81 0.00 3.32 -0.79 0.63 116.42 120.21 3i1q h ASP 117 Ca -0.07 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3i1q h ASP 117 Cb 0.49 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.05 3i1q h ASP 117 CO 0.11 0.17 -0.39 -1.28 -1.72 0.00 0.00 179.24 176.13 3i1q h SER 118 N 0.64 -0.92 -0.60 6.45 0.87 -0.84 0.18 113.55 119.32 3i1q h SER 118 Ca 0.62 0.03 0.17 0.00 -1.23 0.00 0.00 61.79 61.38 3i1q h SER 118 Cb 1.12 0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 3i1q h SER 118 CO -0.43 -0.60 0.45 -0.29 -0.53 0.00 0.00 176.83 175.43 3i1q h ILE 119 N -1.20 0.65 0.14 2.23 2.10 0.59 0.13 117.51 122.15 3i1q h ILE 119 Ca -0.11 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.82 3i1q h ILE 119 Cb 0.83 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.25 3i1q h ILE 119 CO 0.18 0.00 -0.07 0.74 -1.08 0.00 0.00 178.15 177.92 3i1q h THR 120 N 0.00 0.99 0.00 2.19 2.02 0.36 -2.87 112.91 115.59 3i1q h THR 120 Ca 0.28 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3i1q h THR 120 Cb 1.17 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3i1q h THR 120 CO -0.00 0.24 0.01 -1.20 0.37 0.00 0.00 175.52 174.93 3i1q n SER 121 N -4.93 0.00 -0.00 4.18 7.64 0.60 -0.10 113.62 121.01 3i1q n SER 121 Ca -0.08 0.12 -0.00 0.00 1.01 0.00 0.00 58.87 59.92 3i1q n SER 121 Cb 0.27 -0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3i1q n SER 121 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3i1q h GLN 122 N 0.00 -0.02 -0.80 1.43 1.08 -0.82 -3.14 115.11 112.83 3i1q h GLN 122 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3i1q h GLN 122 Cb 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 3i1q h GLN 122 CO 0.00 -0.01 0.47 -0.07 -0.95 0.00 0.00 178.83 178.26 3i1q h LEU 123 N -0.27 0.97 -1.49 1.46 3.38 -1.39 0.20 115.31 118.16 3i1q h LEU 123 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i1q h LEU 123 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3i1q h LEU 123 CO 0.00 0.76 0.47 -0.33 0.09 0.00 0.00 178.44 179.43 3i1q h GLU 124 N 1.10 0.00 -0.02 1.13 4.39 -0.68 1.08 114.58 121.58 3i1q h GLU 124 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3i1q h GLU 124 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3i1q h GLU 124 CO -0.05 0.00 -0.11 0.54 -1.16 0.00 0.00 179.01 178.23 3i1q n ARG 125 N -2.73 1.45 -2.00 2.33 1.74 0.63 -5.01 116.66 113.07 3i1q n ARG 125 Ca -0.01 -1.26 -0.00 0.00 -0.77 0.00 0.00 57.85 55.81 3i1q n ARG 125 Cb 0.50 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3i1q n ARG 125 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i1q n ARG 126 N 0.58 -0.43 -4.07 5.56 3.00 0.37 -5.06 116.66 116.61 3i1q n ARG 126 Ca 0.09 0.83 -0.10 0.00 -0.00 0.00 0.00 57.85 58.66 3i1q n ARG 126 Cb 0.39 -2.87 -0.11 0.00 0.00 0.00 0.00 32.46 29.87 3i1q n ARG 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3i1q s VAL 127 N -2.97 0.38 -0.37 5.15 -7.23 -1.19 -4.98 120.40 109.18 3i1q s VAL 127 Ca 0.00 -1.43 -0.42 0.00 -1.81 0.00 0.00 61.98 58.32 3i1q s VAL 127 Cb -0.00 -1.01 -0.17 0.00 0.56 0.00 0.00 36.38 35.76 3i1q s VAL 127 CO 0.24 -0.69 1.76 0.80 -0.31 0.00 0.00 175.10 176.90 3i1q n MET 128 N 0.79 0.72 0.01 4.82 1.56 -1.26 -4.57 117.12 119.19 3i1q n MET 128 Ca -0.18 0.26 -0.16 0.00 -0.27 0.00 0.00 57.70 57.35 3i1q n MET 128 Cb 0.58 -1.90 -0.05 0.00 2.15 0.00 0.00 33.22 34.00 3i1q n MET 128 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 3i1q h PHE 129 N 7.00 0.92 0.23 1.12 -0.00 -1.98 -2.29 116.94 121.93 3i1q h PHE 129 Ca -0.42 -0.42 0.01 0.00 -0.00 0.00 0.00 57.97 57.14 3i1q h PHE 129 Cb 1.34 -0.14 -0.04 0.00 -0.00 0.00 0.00 35.95 37.11 3i1q h PHE 129 CO 0.76 1.23 -0.49 0.00 -0.00 0.00 0.00 178.31 179.81 3i1q h ARG 130 N 0.45 -0.78 -0.62 6.09 -0.00 -2.01 -2.69 114.38 114.83 3i1q h ARG 130 Ca -0.06 0.05 0.03 0.00 -0.50 0.00 0.00 59.98 59.51 3i1q h ARG 130 Cb 1.42 0.18 -0.04 0.00 0.00 0.00 0.00 29.97 31.52 3i1q h ARG 130 CO 0.16 -0.52 0.37 0.00 0.00 0.00 0.00 179.97 179.98 3i1q h ARG 131 N -0.81 0.69 -0.22 0.04 3.08 -1.94 -1.80 114.38 113.41 3i1q h ARG 131 Ca -0.02 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3i1q h ARG 131 Cb 0.78 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3i1q h ARG 131 CO -0.21 0.46 -0.04 0.00 -1.07 0.00 0.00 179.97 179.11 3i1q h ALA 132 N 1.28 1.52 0.02 0.04 0.00 -1.37 0.94 119.26 121.69 3i1q h ALA 132 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i1q h ALA 132 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i1q h ALA 132 CO -0.12 0.35 -0.01 0.52 0.00 0.00 0.00 179.25 179.99 3i1q h MET 133 N 0.33 -0.02 0.56 0.00 2.86 -1.09 -2.39 114.93 115.19 3i1q h MET 133 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3i1q h MET 133 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3i1q h MET 133 CO 0.01 0.34 -0.39 -0.22 1.06 0.00 0.00 176.91 177.72 3i1q h LYS 134 N -0.39 -0.88 -0.52 1.72 3.64 -0.47 -1.84 116.57 117.83 3i1q h LYS 134 Ca -0.00 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3i1q h LYS 134 Cb 0.37 0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 3i1q h LYS 134 CO 0.00 -0.59 -0.29 0.00 -2.27 0.00 0.00 179.45 176.30 3i1q h ARG 135 N -0.92 -0.16 -0.35 1.90 2.47 0.79 0.58 114.38 118.70 3i1q h ARG 135 Ca -0.07 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 3i1q h ARG 135 Cb 0.76 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.03 3i1q h ARG 135 CO 0.04 -0.11 -0.37 0.00 0.56 0.00 0.00 179.97 180.09 3i1q h ALA 136 N 1.02 -0.33 -0.46 0.04 0.00 -1.32 -1.99 119.26 116.23 3i1q h ALA 136 Ca 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3i1q h ALA 136 Cb 0.53 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3i1q h ALA 136 CO -0.61 -0.80 0.14 0.28 0.00 0.00 0.00 179.25 178.26 3i1q h VAL 137 N -0.32 1.22 0.13 0.00 2.07 -0.23 -2.53 116.25 116.60 3i1q h VAL 137 Ca 0.14 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3i1q h VAL 137 Cb 0.57 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3i1q h VAL 137 CO -0.52 0.27 -0.46 1.56 0.02 0.00 0.00 177.57 178.43 3i1q h GLN 138 N 0.60 -0.65 -0.94 1.57 4.20 0.50 -1.36 115.11 119.03 3i1q h GLN 138 Ca 0.15 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3i1q h GLN 138 Cb 0.27 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3i1q h GLN 138 CO -0.00 -0.44 0.00 0.27 -0.67 0.00 0.00 178.83 177.99 3i1q n ASN 139 N -5.09 1.43 -0.12 1.46 2.04 -0.79 -2.37 115.26 111.82 3i1q n ASN 139 Ca -0.08 -2.09 -0.25 0.00 -0.44 0.00 0.00 54.58 51.72 3i1q n ASN 139 Cb 0.36 -0.51 -0.09 0.00 -2.53 0.00 0.00 39.78 37.01 3i1q n ASN 139 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3i1q n ALA 140 N 0.05 1.42 0.29 -2.53 0.00 -0.57 -4.28 120.51 114.89 3i1q n ALA 140 Ca 0.03 -0.98 0.18 0.00 0.00 0.00 0.00 53.44 52.66 3i1q n ALA 140 Cb 0.33 0.16 0.87 0.00 0.00 0.00 0.00 19.45 20.81 3i1q n ALA 140 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3i1q h MET 141 N -0.78 0.00 -0.43 0.00 2.86 -1.38 -3.07 114.93 112.13 3i1q h MET 141 Ca -0.62 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.11 3i1q h MET 141 Cb 1.58 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.15 3i1q h MET 141 CO -0.35 0.03 -0.19 -0.09 1.06 0.00 0.00 176.91 177.38 3i1q h ARG 142 N 0.00 -0.10 -3.42 1.72 9.65 -1.65 -3.18 114.38 117.40 3i1q h ARG 142 Ca -0.00 0.01 -0.70 0.00 -1.10 0.00 0.00 59.98 58.19 3i1q h ARG 142 Cb 0.31 0.02 -0.36 0.00 -1.39 0.00 0.00 29.97 28.56 3i1q h ARG 142 CO 0.00 -0.06 -0.26 -0.48 2.80 0.00 0.00 179.97 181.97 3i1q s LEU 143 N -10.66 5.36 0.00 3.80 -0.00 -1.16 -5.06 118.68 110.96 3i1q s LEU 143 Ca -0.14 -3.31 0.00 0.00 -0.00 0.00 0.00 54.13 50.67 3i1q s LEU 143 Cb 0.15 -1.87 0.00 0.00 -0.00 0.00 0.00 46.19 44.48 3i1q s LEU 143 CO 0.70 -0.27 0.00 0.61 -0.00 0.00 0.00 176.35 177.40 3i1q n GLY 144 N 2.86 -0.65 1.45 -3.48 0.00 -1.20 -4.98 105.19 99.19 3i1q n GLY 144 Ca 0.15 -1.21 0.03 0.00 0.00 0.00 0.00 46.02 44.99 3i1q n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q n ALA 145 N 4.05 -2.18 0.42 4.61 0.00 -1.26 -4.38 120.51 121.77 3i1q n ALA 145 Ca 0.00 0.53 0.06 0.00 0.00 0.00 0.00 53.44 54.04 3i1q n ALA 145 Cb 0.00 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.10 3i1q n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1q n LYS 146 N -2.85 1.14 0.00 0.00 4.76 -0.17 -4.94 118.16 116.10 3i1q n LYS 146 Ca -0.02 -1.42 0.00 0.00 -2.87 0.00 0.00 58.31 54.01 3i1q n LYS 146 Cb 0.49 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 3i1q n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i1q n GLY 147 N 0.72 -0.41 0.00 0.72 0.00 -1.23 -0.97 105.19 104.03 3i1q n GLY 147 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3i1q n GLY 147 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1q n ILE 148 N -0.16 0.00 -3.89 -0.61 3.06 -0.98 -2.54 119.36 114.24 3i1q n ILE 148 Ca 0.00 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.09 3i1q n ILE 148 Cb 0.00 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.02 3i1q n ILE 148 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 3i1q s LYS 149 N -0.97 0.18 0.38 9.51 -2.85 -0.33 -1.93 119.74 123.73 3i1q s LYS 149 Ca 0.00 0.09 0.08 0.00 -1.00 0.00 0.00 55.97 55.13 3i1q s LYS 149 Cb 0.00 -0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.37 3i1q s LYS 149 CO 0.00 -0.12 0.19 0.14 0.10 0.00 0.00 175.35 175.66 3i1q s VAL 150 N 0.87 2.71 -0.30 1.79 -7.23 -1.06 -0.25 120.40 116.92 3i1q s VAL 150 Ca -0.08 -1.64 -0.08 0.00 -1.81 0.00 0.00 61.98 58.37 3i1q s VAL 150 Cb -0.11 -2.99 0.18 0.00 0.56 0.00 0.00 36.38 34.02 3i1q s VAL 150 CO -0.02 -0.09 0.80 -0.70 -0.31 0.00 0.00 175.10 174.79 3i1q s GLU 151 N -3.91 0.41 0.52 4.82 2.12 -0.59 -2.03 118.70 120.03 3i1q s GLU 151 Ca 0.41 0.79 0.01 0.00 0.36 0.00 0.00 54.97 56.54 3i1q s GLU 151 Cb -0.00 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.86 3i1q s GLU 151 CO 0.23 -0.38 0.74 0.14 -0.54 0.00 0.00 175.26 175.45 3i1q s VAL 152 N 2.85 2.98 -0.27 3.70 -7.23 -0.97 -1.76 120.40 119.70 3i1q s VAL 152 Ca 0.08 -0.65 -0.32 0.00 -1.81 0.00 0.00 61.98 59.28 3i1q s VAL 152 Cb -0.12 -3.11 0.17 0.00 0.56 0.00 0.00 36.38 33.88 3i1q s VAL 152 CO -0.17 -0.07 1.33 -0.94 -0.31 0.00 0.00 175.10 174.93 3i1q s SER 153 N -4.38 -0.06 0.00 4.85 1.04 -1.05 -3.47 113.70 110.63 3i1q s SER 153 Ca 0.55 0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3i1q s SER 153 Cb -0.10 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3i1q s SER 153 CO 0.38 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.14 3i1q n GLY 154 N 0.32 -2.07 3.73 7.32 0.00 -0.91 -1.73 105.19 111.86 3i1q n GLY 154 Ca 0.01 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 3i1q n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1q n ARG 155 N 0.57 -1.53 -3.01 1.61 1.74 -1.26 -4.24 116.66 110.54 3i1q n ARG 155 Ca 0.00 0.77 -0.41 0.00 -0.77 0.00 0.00 57.85 57.44 3i1q n ARG 155 Cb 0.00 -2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 29.28 3i1q n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i1q s LEU 156 N -4.66 4.11 -1.35 0.55 1.02 -1.26 -2.94 118.68 114.15 3i1q s LEU 156 Ca 0.03 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.10 3i1q s LEU 156 Cb -0.00 -3.03 0.00 0.00 0.02 0.00 0.00 46.19 43.18 3i1q s LEU 156 CO 0.87 -0.40 0.00 0.61 0.02 0.00 0.00 176.35 177.45 3i1q n GLY 157 N 3.83 1.26 1.53 -3.19 0.00 -1.26 -4.17 105.19 103.19 3i1q n GLY 157 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i1q n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 158 N -0.31 -3.13 3.44 -0.02 0.00 -1.15 -5.11 105.19 98.91 3i1q n GLY 158 Ca -0.13 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 3i1q n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1q s ALA 159 N -0.06 -1.49 0.59 4.61 0.00 -1.26 -4.99 121.76 119.17 3i1q s ALA 159 Ca -0.02 1.92 0.29 0.00 0.00 0.00 0.00 51.96 54.15 3i1q s ALA 159 Cb 0.00 -1.32 1.54 0.00 0.00 0.00 0.00 23.12 23.34 3i1q s ALA 159 CO 0.06 -0.54 1.97 0.93 0.00 0.00 0.00 175.76 178.18 3i1q h GLU 160 N 7.51 0.00 -5.36 0.00 5.08 -1.98 -3.36 114.58 116.47 3i1q h GLU 160 Ca -0.26 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.49 3i1q h GLU 160 Cb 1.16 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.29 3i1q h GLU 160 CO 0.18 0.00 -0.16 0.96 -1.00 0.00 0.00 179.01 178.98 3i1q s ILE 161 N -4.62 5.16 -0.43 3.13 -5.25 -1.26 -4.98 121.20 112.95 3i1q s ILE 161 Ca -0.04 0.72 -0.23 0.00 -0.99 0.00 0.00 60.65 60.11 3i1q s ILE 161 Cb 0.15 -3.75 0.02 0.00 2.95 0.00 0.00 42.46 41.84 3i1q s ILE 161 CO 0.55 0.20 0.78 0.00 -1.79 0.00 0.00 174.94 174.67 3i1q s ALA 162 N 1.67 3.32 0.68 2.27 0.00 -1.26 -4.53 121.76 123.91 3i1q s ALA 162 Ca 0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3i1q s ALA 162 Cb -0.15 -3.44 0.08 0.00 0.00 0.00 0.00 23.12 19.60 3i1q s ALA 162 CO 0.09 -1.84 0.50 0.54 0.00 0.00 0.00 175.76 175.06 3i1q n ARG 163 N 6.64 0.02 -2.56 0.00 1.74 -1.26 -4.79 116.66 116.45 3i1q n ARG 163 Ca 0.02 -1.16 -0.01 0.00 -0.77 0.00 0.00 57.85 55.93 3i1q n ARG 163 Cb 0.48 -0.40 0.09 0.00 -1.02 0.00 0.00 32.46 31.61 3i1q n ARG 163 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i1q n THR 164 N -2.29 0.41 -1.63 0.55 -2.24 -1.26 -2.15 114.28 105.66 3i1q n THR 164 Ca 0.08 -1.54 -0.65 0.00 -2.27 0.00 0.00 64.05 59.67 3i1q n THR 164 Cb 0.27 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 3i1q n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i1q n GLU 165 N -1.06 0.00 0.00 -0.78 4.71 -1.23 -4.71 120.64 117.57 3i1q n GLU 165 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 3i1q n GLU 165 Cb 0.85 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 3i1q n GLU 165 CO 0.00 0.00 0.00 -2.67 0.09 0.00 0.00 177.13 174.55 3i1q n TRP 166 N 4.34 0.00 0.00 -0.32 -0.00 -1.26 -2.29 117.44 117.91 3i1q n TRP 166 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 3i1q n TRP 166 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.25 3i1q n TRP 166 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3i1q n TYR 167 N 0.00 0.00 -4.48 -2.67 9.36 -0.86 -4.89 117.16 113.62 3i1q n TYR 167 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 3i1q n TYR 167 Cb 0.00 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.60 3i1q n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3i1q s ARG 168 N 0.00 2.56 -0.19 2.98 3.00 -1.26 -2.57 118.95 123.47 3i1q s ARG 168 Ca 0.00 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.73 53.97 3i1q s ARG 168 Cb 0.00 -2.50 0.10 0.00 0.00 0.00 0.00 34.95 32.54 3i1q s ARG 168 CO 0.00 0.61 0.33 -2.00 0.00 0.00 0.00 175.30 174.23 3i1q s GLU 169 N -1.35 0.25 0.00 5.12 2.12 -0.81 -5.02 118.70 119.02 3i1q s GLU 169 Ca 0.16 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.17 3i1q s GLU 169 Cb -0.11 -0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.02 3i1q s GLU 169 CO 0.07 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 3i1q n GLY 170 N 5.36 1.37 3.12 -1.50 0.00 -1.26 -2.32 105.19 109.96 3i1q n GLY 170 Ca -0.06 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.03 3i1q n GLY 170 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1q s ARG 171 N 0.00 0.27 -0.53 1.61 3.52 -0.14 -4.92 118.95 118.76 3i1q s ARG 171 Ca 0.00 0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.84 3i1q s ARG 171 Cb 0.00 0.10 0.15 0.00 -1.56 0.00 0.00 34.95 33.64 3i1q s ARG 171 CO 0.00 -0.48 0.33 0.08 -0.81 0.00 0.00 175.30 174.41 3i1q s VAL 172 N 2.80 1.93 -1.37 7.11 1.01 -1.26 -4.12 120.40 126.49 3i1q s VAL 172 Ca 0.22 -3.20 -0.16 0.00 0.00 0.00 0.00 61.98 58.84 3i1q s VAL 172 Cb -0.03 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 34.08 3i1q s VAL 172 CO -0.22 -0.95 2.01 -0.81 0.00 0.00 0.00 175.10 175.13 3i1q n PRO 173 N 2.93 2.96 -0.36 2.72 -0.04 -1.26 -4.82 135.00 137.15 3i1q n PRO 173 Ca 0.14 -2.88 0.37 0.00 -0.04 0.00 0.00 63.50 61.08 3i1q n PRO 173 Cb 0.36 -3.38 0.67 0.00 -0.04 0.00 0.00 33.50 31.10 3i1q n PRO 173 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3i1q h LEU 174 N 11.28 0.00 -1.00 1.53 5.85 -2.01 0.47 115.31 131.43 3i1q h LEU 174 Ca 0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.23 3i1q h LEU 174 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3i1q h LEU 174 CO 1.70 0.00 0.00 0.45 -0.34 0.00 0.00 178.44 180.25 3i1q h HIS 175 N 0.00 0.00 -3.70 1.25 3.86 -2.03 -3.43 115.15 111.10 3i1q h HIS 175 Ca 0.61 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 59.32 3i1q h HIS 175 Cb 2.83 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 31.28 3i1q h HIS 175 CO 0.00 0.00 0.24 0.99 0.86 0.00 0.00 177.93 180.02 3i1q s THR 176 N -3.46 4.34 -0.07 2.45 2.01 0.15 -4.99 115.64 116.08 3i1q s THR 176 Ca 0.03 1.65 0.07 0.00 0.31 0.00 0.00 61.69 63.76 3i1q s THR 176 Cb 0.09 -4.01 -0.24 0.00 0.01 0.00 0.00 72.50 68.35 3i1q s THR 176 CO 0.47 0.27 0.56 0.18 -0.69 0.00 0.00 174.62 175.41 3i1q n LEU 177 N 0.89 1.35 0.25 4.42 7.99 -1.26 -4.34 117.00 126.31 3i1q n LEU 177 Ca -0.01 0.35 0.15 0.00 -0.01 0.00 0.00 56.01 56.49 3i1q n LEU 177 Cb 0.50 -0.18 0.48 0.00 -0.11 0.00 0.00 43.42 44.11 3i1q n LEU 177 CO 0.45 0.52 0.91 0.08 -1.51 0.00 0.00 177.39 177.84 3i1q h ARG 178 N 0.02 0.00 -6.92 3.23 0.11 -1.94 -3.45 114.38 105.43 3i1q h ARG 178 Ca -0.33 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.22 3i1q h ARG 178 Cb 2.02 0.00 0.08 0.00 1.11 0.00 0.00 29.97 33.19 3i1q h ARG 178 CO 0.08 0.01 0.67 0.00 0.10 0.00 0.00 179.97 180.83 3i1q s ALA 179 N -3.49 3.44 -0.05 0.08 0.00 -1.12 -4.23 121.76 116.38 3i1q s ALA 179 Ca 0.03 1.34 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 3i1q s ALA 179 Cb 0.08 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3i1q s ALA 179 CO 0.59 -0.82 1.07 0.34 0.00 0.00 0.00 175.76 176.94 3i1q s ASP 180 N -0.47 7.21 -0.33 0.00 -1.08 -0.98 -5.00 116.67 116.03 3i1q s ASP 180 Ca 0.53 1.68 -0.01 0.00 -0.52 0.00 0.00 52.55 54.22 3i1q s ASP 180 Cb -0.41 -2.56 0.11 0.00 -1.46 0.00 0.00 42.92 38.60 3i1q s ASP 180 CO 0.54 -0.43 0.15 -0.63 0.52 0.00 0.00 175.17 175.32 3i1q s ILE 181 N 1.71 0.56 -0.37 4.11 -1.09 -1.26 -2.55 121.20 122.30 3i1q s ILE 181 Ca 0.52 -1.45 -0.29 0.00 -2.23 0.00 0.00 60.65 57.20 3i1q s ILE 181 Cb -0.22 -1.42 0.02 0.00 -1.58 0.00 0.00 42.46 39.26 3i1q s ILE 181 CO 0.23 -0.78 1.14 -0.62 -1.23 0.00 0.00 174.94 173.68 3i1q s ASP 182 N 1.46 6.77 -0.04 3.58 -1.08 -0.39 -4.77 116.67 122.20 3i1q s ASP 182 Ca 0.12 0.86 0.02 0.00 -0.52 0.00 0.00 52.55 53.03 3i1q s ASP 182 Cb -0.19 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.74 3i1q s ASP 182 CO -0.20 -1.06 -0.08 -0.47 0.52 0.00 0.00 175.17 173.88 3i1q s TYR 183 N 4.11 0.98 0.20 -5.34 5.04 -1.26 -0.96 117.35 120.12 3i1q s TYR 183 Ca 0.49 -0.30 -0.13 0.00 -2.44 0.00 0.00 57.07 54.69 3i1q s TYR 183 Cb -0.11 -0.77 0.00 0.00 0.35 0.00 0.00 41.96 41.43 3i1q s TYR 183 CO 0.23 -0.19 0.41 -0.80 -1.34 0.00 0.00 175.55 173.86 3i1q s ASN 184 N 0.65 -0.09 0.09 4.32 0.02 -1.11 -4.85 114.94 113.98 3i1q s ASN 184 Ca -0.11 -0.76 0.06 0.00 -1.02 0.00 0.00 52.86 51.04 3i1q s ASN 184 Cb -0.13 0.52 -0.03 0.00 0.02 0.00 0.00 41.25 41.62 3i1q s ASN 184 CO 0.01 -1.01 -0.16 -0.89 0.02 0.00 0.00 177.10 175.08 3i1q s THR 185 N -3.95 1.33 -0.21 1.60 2.01 -1.26 -2.44 115.64 112.71 3i1q s THR 185 Ca 0.16 -1.48 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 3i1q s THR 185 Cb 0.01 -1.32 0.10 0.00 0.01 0.00 0.00 72.50 71.30 3i1q s THR 185 CO 0.01 -0.24 0.26 -0.55 -0.69 0.00 0.00 174.62 173.42 3i1q s SER 186 N -1.99 1.05 0.52 3.53 0.15 -1.00 -4.88 113.70 111.08 3i1q s SER 186 Ca 0.03 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.40 3i1q s SER 186 Cb -0.09 0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 64.74 3i1q s SER 186 CO 0.03 -0.32 1.19 -1.61 1.20 0.00 0.00 173.24 173.73 3i1q s GLU 187 N 2.38 3.42 -0.24 5.44 2.02 -1.26 -3.71 118.70 126.76 3i1q s GLU 187 Ca 0.08 1.81 -0.01 0.00 0.02 0.00 0.00 54.97 56.87 3i1q s GLU 187 Cb -0.15 -2.19 0.07 0.00 0.10 0.00 0.00 34.13 31.95 3i1q s GLU 187 CO -0.13 -0.84 0.02 0.00 0.02 0.00 0.00 175.26 174.33 3i1q s ALA 188 N -1.58 1.49 -0.60 5.21 0.00 -0.91 -4.96 121.76 120.41 3i1q s ALA 188 Ca 0.70 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.19 3i1q s ALA 188 Cb -0.29 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.46 3i1q s ALA 188 CO 0.34 -1.31 1.35 -1.01 0.00 0.00 0.00 175.76 175.13 3i1q s HIS 189 N 1.63 2.34 0.00 0.00 3.76 -1.26 -2.30 115.29 119.46 3i1q s HIS 189 Ca 0.00 0.38 0.00 0.00 -0.15 0.00 0.00 55.06 55.29 3i1q s HIS 189 Cb -0.18 -4.46 0.00 0.00 1.11 0.00 0.00 32.58 29.06 3i1q s HIS 189 CO -0.11 -1.91 0.00 0.25 -0.85 0.00 0.00 174.74 172.12 3i1q n THR 190 N 6.74 0.00 -1.26 1.30 -2.24 0.47 -4.88 114.28 114.40 3i1q n THR 190 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3i1q n THR 190 Cb 0.49 -0.78 0.22 0.00 -2.10 0.00 0.00 70.33 68.16 3i1q n THR 190 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i1q n THR 191 N 0.00 2.56 -0.41 4.28 -2.24 -1.26 -4.52 114.28 112.69 3i1q n THR 191 Ca 0.00 -2.33 0.00 0.00 -2.27 0.00 0.00 64.05 59.45 3i1q n THR 191 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3i1q n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1q n TYR 192 N -0.88 0.00 -3.83 4.78 0.18 -1.26 -5.17 117.16 110.98 3i1q n TYR 192 Ca 0.33 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.11 3i1q n TYR 192 Cb 1.08 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 40.04 3i1q n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i1q n GLY 193 N 0.00 0.63 2.66 -7.48 0.00 -1.26 -5.08 105.19 94.66 3i1q n GLY 193 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3i1q n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1q s VAL 194 N -2.15 0.97 0.24 1.61 1.01 -1.26 -0.40 120.40 120.43 3i1q s VAL 194 Ca 0.00 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 3i1q s VAL 194 Cb 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 3i1q s VAL 194 CO 0.00 -0.85 1.31 -0.63 0.00 0.00 0.00 175.10 174.93 3i1q s ILE 195 N 0.89 3.04 -0.21 2.22 1.01 -0.97 -4.81 121.20 122.38 3i1q s ILE 195 Ca 0.15 0.92 -0.06 0.00 0.00 0.00 0.00 60.65 61.66 3i1q s ILE 195 Cb -0.22 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3i1q s ILE 195 CO -0.07 0.16 0.02 -0.83 0.00 0.00 0.00 174.94 174.22 3i1q s GLY 196 N 0.05 1.74 -0.08 6.18 0.00 -0.70 -2.15 107.32 112.35 3i1q s GLY 196 Ca 0.54 -0.99 0.04 0.00 0.00 0.00 0.00 44.72 44.31 3i1q s GLY 196 CO 0.43 0.27 -0.21 0.14 0.00 0.00 0.00 173.10 173.73 3i1q s VAL 197 N 1.05 1.77 -0.06 1.40 1.01 -1.24 -2.52 120.40 121.80 3i1q s VAL 197 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3i1q s VAL 197 Cb -0.14 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3i1q s VAL 197 CO 0.02 0.50 -0.11 -0.54 0.00 0.00 0.00 175.10 174.96 3i1q s LYS 198 N 0.34 1.59 -0.03 2.72 1.02 -0.72 -2.38 119.74 122.28 3i1q s LYS 198 Ca -0.15 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.50 3i1q s LYS 198 Cb -0.16 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 3i1q s LYS 198 CO 0.07 0.01 -0.11 0.54 -0.92 0.00 0.00 175.35 174.94 3i1q s VAL 199 N 0.70 0.97 -0.05 3.17 0.11 -1.02 -1.55 120.40 122.72 3i1q s VAL 199 Ca -0.14 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 3i1q s VAL 199 Cb -0.16 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 3i1q s VAL 199 CO 0.03 0.30 -0.18 0.26 -3.33 0.00 0.00 175.10 172.17 3i1q s TRP 200 N 0.22 2.58 -0.06 1.54 0.51 0.65 -2.75 118.94 121.64 3i1q s TRP 200 Ca -0.05 -0.32 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 3i1q s TRP 200 Cb -0.10 -1.61 0.02 0.00 -0.81 0.00 0.00 33.47 30.97 3i1q s TRP 200 CO 0.01 0.06 -0.08 0.42 -0.51 0.00 0.00 176.95 176.85 3i1q s ILE 201 N -0.56 0.81 -0.32 2.03 1.01 -0.13 -1.19 121.20 122.85 3i1q s ILE 201 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 3i1q s ILE 201 Cb -0.11 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.60 3i1q s ILE 201 CO 0.01 0.29 0.07 0.12 0.00 0.00 0.00 174.94 175.43 3i1q s PHE 202 N 0.90 3.22 -0.16 3.97 5.36 -1.05 -1.26 117.98 128.96 3i1q s PHE 202 Ca -0.11 -1.40 -0.09 0.00 -0.96 0.00 0.00 56.93 54.37 3i1q s PHE 202 Cb -0.15 -2.23 -0.23 0.00 -0.34 0.00 0.00 43.02 40.07 3i1q s PHE 202 CO 0.01 -0.71 0.24 1.63 -1.46 0.00 0.00 175.22 174.93 3i1q n LYS 203 N 4.79 0.70 -3.00 10.12 5.02 -1.06 -1.00 118.16 133.73 3i1q n LYS 203 Ca -0.13 0.31 -0.04 0.00 -2.02 0.00 0.00 58.31 56.43 3i1q n LYS 203 Cb 0.45 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3i1q n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1q n GLY 204 N 1.88 1.04 0.00 0.72 0.00 -1.26 -4.47 105.19 103.10 3i1q n GLY 204 Ca -0.34 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3i1q n GLY 204 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1q n GLU 205 N -0.44 0.00 0.00 1.61 -0.58 -1.26 -2.31 120.64 117.66 3i1q n GLU 205 Ca -0.04 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.86 3i1q n GLU 205 Cb 0.40 -0.08 0.93 0.00 -0.57 0.00 0.00 31.44 32.12 3i1q n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16