#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4l s ALA 3 N 0.00 3.03 -0.11 1.69 0.00 -1.26 -1.36 121.76 123.75 1i4l s ALA 3 Ca 0.00 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.53 1i4l s ALA 3 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1i4l s ALA 3 CO 0.00 -0.91 -0.18 0.42 0.00 0.00 0.00 175.76 175.09 1i4l s ILE 4 N 1.48 2.65 -0.32 0.00 1.09 -1.15 -5.04 121.20 119.91 1i4l s ILE 4 Ca 0.02 -0.82 -0.10 0.00 -1.10 0.00 0.00 60.65 58.65 1i4l s ILE 4 Cb -0.17 -2.07 -0.01 0.00 -1.06 0.00 0.00 42.46 39.15 1i4l s ILE 4 CO 0.02 0.54 0.17 -0.75 -0.10 0.00 0.00 174.94 174.82 1i4l s LYS 5 N 0.22 3.37 -0.21 2.79 2.20 -1.26 -0.92 119.74 125.93 1i4l s LYS 5 Ca -0.11 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 1i4l s LYS 5 Cb -0.16 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1i4l s LYS 5 CO 0.06 -0.42 -0.11 0.00 -0.36 0.00 0.00 175.35 174.53 1i4l s VAL 7 N 1.40 5.28 -0.29 0.00 1.01 -1.12 -0.22 120.40 126.46 1i4l s VAL 7 Ca 0.05 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1i4l s VAL 7 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1i4l s VAL 7 CO -0.07 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 174.96 1i4l s VAL 8 N 0.09 4.68 0.39 2.92 1.01 0.43 -1.82 120.40 128.10 1i4l s VAL 8 Ca 0.08 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1i4l s VAL 8 Cb -0.11 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 1i4l s VAL 8 CO -0.00 0.16 0.01 0.68 0.00 0.00 0.00 175.10 175.94 1i4l s VAL 9 N 1.64 1.84 0.00 2.92 -7.23 -1.15 -3.73 120.40 114.69 1i4l s VAL 9 Ca 0.05 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1i4l s VAL 9 Cb -0.16 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.84 1i4l s VAL 9 CO 0.07 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1i4l n GLY 10 N -0.90 4.54 2.51 2.32 0.00 -1.26 -0.97 105.19 111.43 1i4l n GLY 10 Ca -0.04 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 1i4l n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i4l n ASP 11 N 0.00 -0.80 -4.67 1.61 8.00 -1.26 -4.37 116.55 115.06 1i4l n ASP 11 Ca 0.00 0.83 -0.31 0.00 0.71 0.00 0.00 54.79 56.03 1i4l n ASP 11 Cb 0.00 -0.70 0.16 0.00 -0.02 0.00 0.00 41.12 40.57 1i4l n ASP 11 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1i4l s GLY 12 N -0.64 1.67 0.00 0.44 0.00 -1.26 -2.77 107.32 104.77 1i4l s GLY 12 Ca 0.50 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1i4l s GLY 12 CO 0.41 0.90 0.00 0.00 0.00 0.00 0.00 173.10 174.41 1i4l n ALA 13 N -4.17 0.00 0.08 3.20 0.00 -1.26 -4.86 120.51 113.50 1i4l n ALA 13 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1i4l n ALA 13 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.13 1i4l n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1i4l h VAL 14 N 0.00 1.36 0.00 0.00 -1.51 -1.84 -3.48 116.25 110.78 1i4l h VAL 14 Ca 0.00 -1.83 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 1i4l h VAL 14 Cb 0.00 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1i4l h VAL 14 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 177.49 1i4l n GLY 15 N 0.12 1.85 0.32 5.19 0.00 -1.26 -4.62 105.19 106.79 1i4l n GLY 15 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1i4l n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4l h LYS 16 N 0.00 1.10 -0.10 1.61 1.57 -1.91 0.33 116.57 119.16 1i4l h LYS 16 Ca 0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1i4l h LYS 16 Cb 0.00 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1i4l h LYS 16 CO 0.00 0.78 -0.09 1.15 -0.57 0.00 0.00 179.45 180.71 1i4l h THR 17 N 1.11 1.35 0.00 -0.16 2.02 -1.95 -2.68 112.91 112.61 1i4l h THR 17 Ca 0.29 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 1i4l h THR 17 Cb -0.04 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1i4l h THR 17 CO -0.05 0.35 -0.25 0.00 0.37 0.00 0.00 175.52 175.93 1i4l h LEU 19 N 0.00 1.09 0.01 0.00 5.85 -0.22 -1.60 115.31 120.44 1i4l h LEU 19 Ca -0.00 -0.20 -0.24 0.00 0.84 0.00 0.00 57.88 58.28 1i4l h LEU 19 Cb 0.46 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1i4l h LEU 19 CO 0.03 1.00 -1.26 -0.07 -0.34 0.00 0.00 178.44 177.80 1i4l h LEU 20 N 1.12 0.03 0.05 2.25 3.38 -1.12 -2.89 115.31 118.13 1i4l h LEU 20 Ca 0.25 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.95 1i4l h LEU 20 Cb 0.29 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.05 1i4l h LEU 20 CO -0.01 1.03 -0.92 0.40 0.09 0.00 0.00 178.44 179.04 1i4l h ILE 21 N 0.01 1.36 -0.41 1.22 2.04 -1.27 -1.93 117.51 118.53 1i4l h ILE 21 Ca -0.11 -2.29 -0.01 0.00 1.00 0.00 0.00 64.86 63.45 1i4l h ILE 21 Cb 1.87 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 40.58 1i4l h ILE 21 CO 0.12 0.68 0.22 -1.28 0.00 0.00 0.00 178.15 177.89 1i4l h SER 22 N 0.08 0.51 0.76 1.72 0.87 -1.27 0.21 113.55 116.44 1i4l h SER 22 Ca -0.13 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 1i4l h SER 22 Cb 1.62 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 63.46 1i4l h SER 22 CO 0.18 0.45 -0.37 0.22 -0.53 0.00 0.00 176.83 176.78 1i4l h TYR 23 N 0.53 -0.95 0.00 2.24 3.20 -1.55 0.88 116.97 121.31 1i4l h TYR 23 Ca 0.14 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 1i4l h TYR 23 Cb 0.06 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1i4l h TYR 23 CO -0.02 -0.57 -0.39 1.79 -1.64 0.00 0.00 178.16 177.32 1i4l h THR 24 N -1.16 0.85 0.00 1.81 1.35 -1.35 -3.36 112.91 111.06 1i4l h THR 24 Ca -0.10 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1i4l h THR 24 Cb 0.80 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1i4l h THR 24 CO 0.17 0.38 0.00 0.35 -0.25 0.00 0.00 175.52 176.17 1i4l n THR 25 N -3.45 0.00 -3.54 6.82 -2.24 0.72 -5.04 114.28 107.54 1i4l n THR 25 Ca 0.00 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 1i4l n THR 25 Cb 0.55 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.84 1i4l n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i4l n ASN 26 N -0.77 -2.52 -3.53 3.42 3.02 0.30 -4.98 115.26 110.20 1i4l n ASN 26 Ca 0.00 -0.75 -0.17 0.00 -0.03 0.00 0.00 54.58 53.63 1i4l n ASN 26 Cb 0.00 -4.53 -0.06 0.00 -0.61 0.00 0.00 39.78 34.58 1i4l n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i4l s ALA 27 N -3.51 -1.79 -0.05 5.41 0.00 -1.26 -5.03 121.76 115.54 1i4l s ALA 27 Ca 0.10 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 1i4l s ALA 27 Cb -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1i4l s ALA 27 CO 0.78 -0.36 0.54 0.12 0.00 0.00 0.00 175.76 176.84 1i4l s PHE 28 N -1.09 3.61 -1.33 0.00 5.36 -1.26 -3.28 117.98 119.99 1i4l s PHE 28 Ca -0.10 1.06 0.22 0.00 -0.96 0.00 0.00 56.93 57.15 1i4l s PHE 28 Cb -0.00 -2.57 1.05 0.00 -0.34 0.00 0.00 43.02 41.15 1i4l s PHE 28 CO 0.09 0.28 1.69 -0.35 -1.46 0.00 0.00 175.22 175.47 1i4l n PRO 29 N 3.10 0.24 0.00 10.12 -0.04 -1.26 -3.96 135.00 143.20 1i4l n PRO 29 Ca -0.07 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1i4l n PRO 29 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1i4l n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i4l n GLY 30 N 0.58 -0.09 3.25 0.55 0.00 -1.26 -1.92 105.19 106.31 1i4l n GLY 30 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1i4l n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4l s GLU 31 N -1.83 3.01 0.00 1.61 2.02 -1.25 -4.55 118.70 117.71 1i4l s GLU 31 Ca 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 54.97 52.84 1i4l s GLU 31 Cb 0.00 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 30.07 1i4l s GLU 31 CO 0.00 -1.25 0.00 0.66 0.02 0.00 0.00 175.26 174.69 1i4l n TYR 32 N 4.38 0.00 -3.00 1.61 4.02 -1.25 -4.43 117.16 118.50 1i4l n TYR 32 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 1i4l n TYR 32 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.76 1i4l n TYR 32 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1i4l n ILE 33 N -2.00 -9.23 -1.63 -0.72 2.08 -0.81 -4.90 119.36 102.16 1i4l n ILE 33 Ca 0.00 0.83 -0.41 0.00 0.56 0.00 0.00 62.75 63.73 1i4l n ILE 33 Cb 0.00 -6.23 0.01 0.00 -0.75 0.00 0.00 39.64 32.68 1i4l n ILE 33 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1i4l n PRO 34 N -0.06 1.43 0.00 0.38 -0.04 -1.26 -4.67 135.00 130.78 1i4l n PRO 34 Ca 0.05 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1i4l n PRO 34 Cb 0.45 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1i4l n PRO 34 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1i4l n THR 35 N -0.47 0.00 -2.04 0.52 -1.04 -1.26 -4.84 114.28 105.14 1i4l n THR 35 Ca 0.09 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 1i4l n THR 35 Cb 0.39 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.89 1i4l n THR 35 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i4l s VAL 36 N 0.00 2.57 -2.10 12.58 1.01 -1.26 -3.23 120.40 129.97 1i4l s VAL 36 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1i4l s VAL 36 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1i4l s VAL 36 CO 0.00 0.13 0.00 0.49 0.00 0.00 0.00 175.10 175.72 1i4l n PHE 37 N 0.62 0.00 -2.56 5.22 0.99 -1.26 -4.97 117.46 115.49 1i4l n PHE 37 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.12 1i4l n PHE 37 Cb 0.42 -3.36 -0.04 0.00 -1.00 0.00 0.00 39.48 35.49 1i4l n PHE 37 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1i4l s ASP 38 N -2.77 6.47 0.32 4.37 -1.08 -1.20 -5.00 116.67 117.78 1i4l s ASP 38 Ca 0.00 1.83 0.09 0.00 -0.52 0.00 0.00 52.55 53.95 1i4l s ASP 38 Cb 0.00 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 1i4l s ASP 38 CO 0.00 -0.69 0.10 0.20 0.52 0.00 0.00 175.17 175.29 1i4l s ASN 39 N -2.17 4.63 0.04 -0.34 0.01 -1.26 -4.55 114.94 111.29 1i4l s ASN 39 Ca 0.65 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 1i4l s ASN 39 Cb -0.14 -0.76 -0.02 0.00 0.41 0.00 0.00 41.25 40.74 1i4l s ASN 39 CO 0.20 -0.21 -0.07 -0.31 -1.51 0.00 0.00 177.10 175.20 1i4l s TYR 40 N -2.40 0.64 0.33 2.20 1.51 -0.71 -5.03 117.35 113.88 1i4l s TYR 40 Ca 0.36 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 56.02 1i4l s TYR 40 Cb -0.03 -0.39 -0.07 0.00 -0.11 0.00 0.00 41.96 41.37 1i4l s TYR 40 CO 0.22 -0.08 -0.00 -1.54 -1.11 0.00 0.00 175.55 173.04 1i4l s SER 41 N -1.41 2.91 0.05 2.29 1.04 -1.26 0.10 113.70 117.42 1i4l s SER 41 Ca -0.09 -1.30 -0.24 0.00 0.48 0.00 0.00 55.95 54.80 1i4l s SER 41 Cb -0.09 -0.20 0.06 0.00 0.10 0.00 0.00 66.02 65.89 1i4l s SER 41 CO 0.00 -0.45 0.57 0.00 0.98 0.00 0.00 173.24 174.34 1i4l s ALA 42 N -3.03 -1.47 -0.28 5.32 0.00 0.15 -4.94 121.76 117.51 1i4l s ALA 42 Ca 0.33 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1i4l s ALA 42 Cb 0.07 0.40 0.06 0.00 0.00 0.00 0.00 23.12 23.64 1i4l s ALA 42 CO 0.15 -0.53 -0.05 -0.80 0.00 0.00 0.00 175.76 174.54 1i4l s ASN 43 N -1.95 4.68 0.19 0.00 0.01 -1.26 0.21 114.94 116.82 1i4l s ASN 43 Ca -0.05 -1.39 0.10 0.00 -0.71 0.00 0.00 52.86 50.81 1i4l s ASN 43 Cb -0.01 -1.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 1i4l s ASN 43 CO -0.01 -0.24 -0.20 0.68 -1.51 0.00 0.00 177.10 175.82 1i4l s VAL 44 N 1.16 2.07 -0.48 1.60 -7.23 -0.65 -4.95 120.40 111.93 1i4l s VAL 44 Ca -0.06 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 57.94 1i4l s VAL 44 Cb -0.20 -1.99 0.08 0.00 0.56 0.00 0.00 36.38 34.82 1i4l s VAL 44 CO -0.03 -0.26 0.40 -0.04 -0.31 0.00 0.00 175.10 174.86 1i4l s MET 45 N -2.85 2.98 -1.13 4.82 -1.94 -1.26 -1.06 119.30 118.86 1i4l s MET 45 Ca 0.19 -1.37 -0.09 0.00 -1.71 0.00 0.00 55.69 52.70 1i4l s MET 45 Cb -0.06 -4.14 0.27 0.00 2.01 0.00 0.00 34.83 32.90 1i4l s MET 45 CO 0.09 -1.05 1.19 0.28 -0.01 0.00 0.00 175.02 175.52 1i4l n VAL 46 N 5.21 4.60 -2.40 -6.03 0.31 0.17 -4.69 118.33 115.49 1i4l n VAL 46 Ca -0.13 -5.34 -0.04 0.00 -0.01 0.00 0.00 64.34 58.82 1i4l n VAL 46 Cb 0.43 -2.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 1i4l n VAL 46 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1i4l n ASP 47 N 2.93 -6.12 -3.15 4.52 8.00 -1.26 -3.62 116.55 117.84 1i4l n ASP 47 Ca 0.26 0.55 -0.18 0.00 0.71 0.00 0.00 54.79 56.13 1i4l n ASP 47 Cb 0.39 -4.02 -0.02 0.00 -0.02 0.00 0.00 41.12 37.45 1i4l n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4l n GLY 48 N -0.12 -0.48 2.85 0.44 0.00 -1.26 -4.90 105.19 101.72 1i4l n GLY 48 Ca 0.06 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1i4l n GLY 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i4l s LYS 49 N -5.75 1.18 -0.42 1.61 2.20 -1.24 -5.11 119.74 112.22 1i4l s LYS 49 Ca 0.29 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 1i4l s LYS 49 Cb -0.16 -1.65 0.02 0.00 -1.51 0.00 0.00 37.83 34.53 1i4l s LYS 49 CO 0.35 -0.38 1.17 -2.14 -0.36 0.00 0.00 175.35 174.00 1i4l s PRO 50 N 1.76 3.81 -0.05 4.03 0.02 -1.26 -0.66 135.00 142.65 1i4l s PRO 50 Ca 0.03 0.79 0.05 0.00 0.02 0.00 0.00 61.00 61.89 1i4l s PRO 50 Cb -0.14 -3.88 -0.02 0.00 0.02 0.00 0.00 34.50 30.48 1i4l s PRO 50 CO -0.07 -1.27 -0.21 0.08 -0.33 0.00 0.00 177.00 175.20 1i4l s VAL 51 N 4.37 2.45 -0.52 3.83 1.01 -0.22 -3.22 120.40 128.09 1i4l s VAL 51 Ca 0.50 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1i4l s VAL 51 Cb -0.10 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.50 1i4l s VAL 51 CO 0.27 0.58 0.42 0.21 0.00 0.00 0.00 175.10 176.58 1i4l s ASN 52 N -0.45 5.88 -0.29 3.32 3.84 -0.47 -1.63 114.94 125.14 1i4l s ASN 52 Ca 0.05 -1.96 -0.26 0.00 0.21 0.00 0.00 52.86 50.90 1i4l s ASN 52 Cb -0.12 -2.07 0.01 0.00 -0.55 0.00 0.00 41.25 38.52 1i4l s ASN 52 CO 0.01 -0.72 0.90 -0.22 -2.79 0.00 0.00 177.10 174.28 1i4l s LEU 53 N 1.30 4.05 -0.49 3.21 2.96 0.55 -2.95 118.68 127.30 1i4l s LEU 53 Ca 0.06 0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 54.72 1i4l s LEU 53 Cb -0.26 -3.27 0.09 0.00 0.50 0.00 0.00 46.19 43.25 1i4l s LEU 53 CO -0.00 -0.68 0.43 -0.83 -1.32 0.00 0.00 176.35 173.94 1i4l s GLY 54 N 1.54 2.06 -0.24 7.98 0.00 -0.09 0.31 107.32 118.88 1i4l s GLY 54 Ca 0.38 -2.27 -0.13 0.00 0.00 0.00 0.00 44.72 42.70 1i4l s GLY 54 CO 0.12 1.10 0.26 1.08 0.00 0.00 0.00 173.10 175.66 1i4l s LEU 55 N 1.61 4.10 -0.25 0.66 1.43 0.11 0.53 118.68 126.87 1i4l s LEU 55 Ca 0.04 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1i4l s LEU 55 Cb -0.26 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1i4l s LEU 55 CO 0.05 -0.03 0.05 0.26 0.23 0.00 0.00 176.35 176.91 1i4l s TRP 56 N 1.42 3.07 0.71 0.29 0.52 0.69 -1.74 118.94 123.90 1i4l s TRP 56 Ca 0.12 -0.64 -0.07 0.00 0.02 0.00 0.00 56.10 55.53 1i4l s TRP 56 Cb -0.15 -2.22 0.06 0.00 -1.15 0.00 0.00 33.47 30.02 1i4l s TRP 56 CO 0.07 -0.44 1.02 0.34 0.02 0.00 0.00 176.95 177.96 1i4l s ASP 57 N 1.57 4.82 0.00 2.95 -1.08 -1.26 -0.43 116.67 123.24 1i4l s ASP 57 Ca 0.06 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.56 1i4l s ASP 57 Cb -0.15 -1.13 0.00 0.00 -1.46 0.00 0.00 42.92 40.18 1i4l s ASP 57 CO 0.02 -1.60 0.00 0.35 0.52 0.00 0.00 175.17 174.46 1i4l n THR 58 N -2.93 0.00 -3.76 1.71 -2.24 -1.24 -4.85 114.28 100.97 1i4l n THR 58 Ca 0.08 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.63 1i4l n THR 58 Cb 0.60 0.00 -0.18 0.00 -2.10 0.00 0.00 70.33 68.66 1i4l n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i4l s ALA 59 N -1.62 0.67 -0.10 6.98 0.00 -1.26 -4.96 121.76 121.47 1i4l s ALA 59 Ca 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 51.96 52.02 1i4l s ALA 59 Cb 0.00 -0.76 0.36 0.00 0.00 0.00 0.00 23.12 22.71 1i4l s ALA 59 CO 0.00 -0.52 1.58 0.78 0.00 0.00 0.00 175.76 177.60 1i4l h GLY 60 N 8.34 0.00 -3.80 0.00 0.00 -1.89 -3.45 103.07 102.27 1i4l h GLY 60 Ca -0.19 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.58 1i4l h GLY 60 CO 0.25 0.00 0.48 -1.06 0.00 0.00 0.00 176.54 176.22 1i4l n GLN 61 N -3.27 1.96 -0.29 4.80 6.02 -1.26 -4.68 117.38 120.66 1i4l n GLN 61 Ca 0.02 0.69 0.21 0.00 -0.01 0.00 0.00 57.00 57.91 1i4l n GLN 61 Cb 0.62 -2.36 0.52 0.00 1.02 0.00 0.00 30.24 30.03 1i4l n GLN 61 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1i4l h GLU 62 N 2.17 0.38 -1.31 -1.09 5.08 -2.03 -2.03 114.58 115.76 1i4l h GLU 62 Ca -0.47 -0.02 0.38 0.00 -1.00 0.00 0.00 59.36 58.24 1i4l h GLU 62 Cb 1.29 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 1i4l h GLU 62 CO 0.60 0.25 0.97 -0.44 -1.00 0.00 0.00 179.01 179.39 1i4l h ASP 63 N 0.39 0.00 -0.55 1.42 3.32 -1.95 0.48 116.42 119.53 1i4l h ASP 63 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1i4l h ASP 63 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1i4l h ASP 63 CO -0.22 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.08 1i4l n TYR 64 N -4.07 0.73 0.26 4.55 4.02 -0.76 -4.55 117.16 117.34 1i4l n TYR 64 Ca 0.28 -0.43 0.14 0.00 -0.01 0.00 0.00 57.90 57.88 1i4l n TYR 64 Cb 1.39 -0.01 0.74 0.00 -0.02 0.00 0.00 39.34 41.44 1i4l n TYR 64 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i4l h ASP 65 N 3.70 0.00 0.18 7.72 3.32 -1.04 -1.15 116.42 129.16 1i4l h ASP 65 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1i4l h ASP 65 Cb 0.91 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1i4l h ASP 65 CO 0.00 0.00 -1.93 0.03 -1.72 0.00 0.00 179.24 175.62 1i4l h ARG 66 N 0.00 0.25 -0.55 3.56 -0.00 -1.81 -3.38 114.38 112.45 1i4l h ARG 66 Ca 0.00 -0.43 0.00 0.00 -0.50 0.00 0.00 59.98 59.05 1i4l h ARG 66 Cb 0.38 0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.51 1i4l h ARG 66 CO 0.00 1.15 0.00 1.47 0.00 0.00 0.00 179.97 182.59 1i4l n LEU 67 N -3.45 4.67 -0.08 3.04 -0.00 -0.82 -4.44 117.00 115.92 1i4l n LEU 67 Ca -0.29 -2.59 -0.14 0.00 -0.00 0.00 0.00 56.01 52.99 1i4l n LEU 67 Cb 1.05 -0.56 -0.08 0.00 -0.00 0.00 0.00 43.42 43.83 1i4l n LEU 67 CO 0.44 0.75 -0.20 -0.09 -0.00 0.00 0.00 177.39 178.29 1i4l h ARG 68 N 3.53 0.00 0.00 1.47 2.43 -1.42 -3.33 114.38 117.07 1i4l h ARG 68 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i4l h ARG 68 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1i4l h ARG 68 CO 0.26 0.66 0.04 -2.30 -1.51 0.00 0.00 179.97 177.12 1i4l n PRO 69 N -4.56 0.00 0.11 0.20 -0.02 -1.26 -1.37 135.00 128.10 1i4l n PRO 69 Ca -0.17 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1i4l n PRO 69 Cb 0.46 -1.54 0.47 0.00 -0.02 0.00 0.00 33.50 32.87 1i4l n PRO 69 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1i4l n LEU 70 N -1.25 0.59 -0.12 2.45 4.77 -1.25 -2.33 117.00 119.85 1i4l n LEU 70 Ca 0.00 0.64 0.09 0.00 -0.03 0.00 0.00 56.01 56.71 1i4l n LEU 70 Cb 0.04 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 1i4l n LEU 70 CO 0.00 -0.50 0.05 -1.54 -1.33 0.00 0.00 177.39 174.07 1i4l n SER 71 N -2.14 1.15 0.10 -1.43 3.41 -0.47 -4.51 113.62 109.72 1i4l n SER 71 Ca 0.02 -1.07 -0.04 0.00 -0.26 0.00 0.00 58.87 57.52 1i4l n SER 71 Cb 0.23 0.86 0.12 0.00 -0.26 0.00 0.00 64.21 65.16 1i4l n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1i4l h TYR 72 N 0.59 0.21 -3.91 7.33 0.05 -1.62 -3.44 116.97 116.18 1i4l h TYR 72 Ca 0.00 -0.09 -0.55 0.00 0.05 0.00 0.00 58.73 58.15 1i4l h TYR 72 Cb 0.50 -0.04 0.12 0.00 1.01 0.00 0.00 36.73 38.33 1i4l h TYR 72 CO 0.00 0.75 0.70 -0.35 -1.05 0.00 0.00 178.16 178.21 1i4l n PRO 73 N -3.83 2.31 -1.75 4.88 -0.04 -1.26 -2.19 135.00 133.12 1i4l n PRO 73 Ca -0.02 0.82 -0.15 0.00 -0.04 0.00 0.00 63.50 64.11 1i4l n PRO 73 Cb 0.64 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 1i4l n PRO 73 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1i4l n GLN 74 N -0.03 -1.09 -2.54 0.54 1.13 -1.26 -5.00 117.38 109.12 1i4l n GLN 74 Ca 0.04 0.91 -0.30 0.00 -1.94 0.00 0.00 57.00 55.71 1i4l n GLN 74 Cb 0.41 -5.11 -0.02 0.00 0.11 0.00 0.00 30.24 25.63 1i4l n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1i4l s THR 75 N -2.62 4.74 -0.01 5.09 2.01 -0.93 -4.71 115.64 119.21 1i4l s THR 75 Ca 0.00 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.74 1i4l s THR 75 Cb 0.00 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1i4l s THR 75 CO 0.00 -0.73 0.06 0.47 -0.69 0.00 0.00 174.62 173.73 1i4l n ASP 76 N -1.80 4.17 -3.48 3.53 8.00 0.43 -4.94 116.55 122.46 1i4l n ASP 76 Ca 0.04 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.54 1i4l n ASP 76 Cb 0.54 1.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.60 1i4l n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i4l s VAL 77 N -2.20 -0.85 0.21 2.53 0.11 -1.10 -4.30 120.40 114.80 1i4l s VAL 77 Ca -0.01 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 1i4l s VAL 77 Cb 0.02 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.79 1i4l s VAL 77 CO 0.15 0.00 0.63 -0.36 -3.33 0.00 0.00 175.10 172.18 1i4l s PHE 78 N 2.79 3.55 -0.58 1.54 0.40 -0.79 -2.78 117.98 122.10 1i4l s PHE 78 Ca -0.00 1.14 0.04 0.00 -0.60 0.00 0.00 56.93 57.51 1i4l s PHE 78 Cb -0.11 -2.45 0.16 0.00 0.51 0.00 0.00 43.02 41.14 1i4l s PHE 78 CO -0.19 0.32 0.40 -0.51 0.70 0.00 0.00 175.22 175.95 1i4l s LEU 79 N -2.27 3.72 -0.02 -0.37 1.43 -0.76 -0.60 118.68 119.82 1i4l s LEU 79 Ca 0.43 -3.42 -0.30 0.00 -1.03 0.00 0.00 54.13 49.81 1i4l s LEU 79 Cb -0.14 -1.29 -0.06 0.00 0.03 0.00 0.00 46.19 44.73 1i4l s LEU 79 CO 0.20 -0.14 1.64 -0.63 0.23 0.00 0.00 176.35 177.64 1i4l s ILE 80 N -0.75 3.45 0.28 -0.59 1.01 -0.89 -2.95 121.20 120.77 1i4l s ILE 80 Ca 0.25 0.67 0.08 0.00 0.00 0.00 0.00 60.65 61.65 1i4l s ILE 80 Cb -0.08 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1i4l s ILE 80 CO -0.13 -0.04 0.17 0.00 0.00 0.00 0.00 174.94 174.93 1i4l s PHE 82 N -2.24 -0.71 -0.02 0.00 -0.71 -1.19 -4.22 117.98 108.89 1i4l s PHE 82 Ca 0.35 1.58 -0.30 0.00 -1.04 0.00 0.00 56.93 57.52 1i4l s PHE 82 Cb -0.07 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1i4l s PHE 82 CO 0.24 -0.44 0.97 0.45 -1.34 0.00 0.00 175.22 175.11 1i4l s SER 83 N -0.16 7.33 0.31 1.98 0.15 -1.26 -2.56 113.70 119.49 1i4l s SER 83 Ca -0.03 1.62 0.25 0.00 0.70 0.00 0.00 55.95 58.48 1i4l s SER 83 Cb -0.03 -2.56 1.08 0.00 -1.71 0.00 0.00 66.02 62.79 1i4l s SER 83 CO 0.03 -0.29 1.75 -0.07 1.20 0.00 0.00 173.24 175.86 1i4l h LEU 84 N 7.03 0.00 -0.40 3.45 3.38 -1.64 0.20 115.31 127.32 1i4l h LEU 84 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1i4l h LEU 84 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1i4l h LEU 84 CO 0.77 0.00 -0.53 0.52 0.09 0.00 0.00 178.44 179.29 1i4l n VAL 85 N -2.35 0.00 -3.95 1.22 0.31 -1.26 -1.00 118.33 111.29 1i4l n VAL 85 Ca 0.01 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 63.93 1i4l n VAL 85 Cb 0.21 0.71 -0.14 0.00 -0.91 0.00 0.00 33.84 33.71 1i4l n VAL 85 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1i4l s SER 86 N -2.71 4.56 0.35 4.52 0.15 0.06 -4.86 113.70 115.77 1i4l s SER 86 Ca 0.16 -2.68 0.05 0.00 0.70 0.00 0.00 55.95 54.19 1i4l s SER 86 Cb 0.18 -1.66 0.66 0.00 -1.71 0.00 0.00 66.02 63.49 1i4l s SER 86 CO 0.65 -0.30 1.91 1.55 1.20 0.00 0.00 173.24 178.25 1i4l h PRO 87 N 6.97 0.51 0.20 5.44 0.13 -1.82 -1.90 132.00 141.53 1i4l h PRO 87 Ca -0.06 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1i4l h PRO 87 Cb 0.94 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1i4l h PRO 87 CO 0.63 0.51 -0.12 0.00 -0.23 0.00 0.00 178.00 178.79 1i4l h ALA 88 N 1.56 -0.30 -0.99 -0.56 0.00 -1.92 -1.62 119.26 115.44 1i4l h ALA 88 Ca 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1i4l h ALA 88 Cb 0.26 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1i4l h ALA 88 CO 0.00 -0.67 0.64 0.77 0.00 0.00 0.00 179.25 179.98 1i4l h SER 89 N -0.31 1.02 -0.25 0.00 0.02 -1.82 -1.25 113.55 110.96 1i4l h SER 89 Ca -0.02 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1i4l h SER 89 Cb 0.25 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1i4l h SER 89 CO 0.02 0.65 0.16 0.15 -1.14 0.00 0.00 176.83 176.67 1i4l h PHE 90 N 1.16 0.34 -0.37 3.45 3.57 -0.84 -2.41 116.94 121.84 1i4l h PHE 90 Ca 0.42 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.80 1i4l h PHE 90 Cb 0.16 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1i4l h PHE 90 CO -0.01 0.23 -0.26 1.49 -2.23 0.00 0.00 178.31 177.54 1i4l h GLU 91 N 0.36 0.82 0.00 1.11 4.57 -0.27 -2.45 114.58 118.72 1i4l h GLU 91 Ca 0.10 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1i4l h GLU 91 Cb -0.01 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1i4l h GLU 91 CO -0.02 1.03 0.00 0.09 -1.18 0.00 0.00 179.01 178.93 1i4l n ASN 92 N -4.21 0.00 0.22 1.04 3.02 -0.91 -1.61 115.26 112.81 1i4l n ASN 92 Ca -0.02 0.41 0.07 0.00 -0.03 0.00 0.00 54.58 55.00 1i4l n ASN 92 Cb 0.46 -0.43 0.58 0.00 -0.61 0.00 0.00 39.78 39.78 1i4l n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i4l h VAL 93 N 0.00 1.04 0.00 2.41 2.07 -1.37 0.33 116.25 120.72 1i4l h VAL 93 Ca 0.00 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1i4l h VAL 93 Cb 0.07 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1i4l h VAL 93 CO 0.00 0.05 -1.75 -2.11 0.02 0.00 0.00 177.57 173.78 1i4l n ARG 94 N -4.48 1.80 -0.06 1.57 1.85 -0.63 -1.84 116.66 114.86 1i4l n ARG 94 Ca -0.02 -0.03 -0.08 0.00 -1.00 0.00 0.00 57.85 56.72 1i4l n ARG 94 Cb 0.12 -1.30 0.09 0.00 -1.05 0.00 0.00 32.46 30.32 1i4l n ARG 94 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1i4l h ALA 95 N 0.67 0.84 0.00 2.89 0.00 -1.07 -3.42 119.26 119.17 1i4l h ALA 95 Ca -0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1i4l h ALA 95 Cb 1.51 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1i4l h ALA 95 CO 0.01 0.64 -0.20 1.17 0.00 0.00 0.00 179.25 180.87 1i4l n LYS 96 N -4.08 0.00 0.43 0.00 4.81 0.11 -4.91 118.16 114.52 1i4l n LYS 96 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1i4l n LYS 96 Cb 0.47 -0.31 -0.08 0.00 0.02 0.00 0.00 35.03 35.14 1i4l n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1i4l h TRP 97 N 0.00 -1.01 -0.95 5.64 -0.00 -1.60 -2.49 115.95 115.54 1i4l h TRP 97 Ca 0.00 -0.02 0.30 0.00 -0.00 0.00 0.00 58.89 59.16 1i4l h TRP 97 Cb 0.20 0.33 -0.16 0.00 -0.00 0.00 0.00 29.16 29.53 1i4l h TRP 97 CO 0.00 -0.63 0.32 -0.92 -0.00 0.00 0.00 178.44 177.21 1i4l h TYR 98 N -1.09 0.47 0.33 0.49 3.20 -1.61 -2.07 116.97 116.69 1i4l h TYR 98 Ca -0.11 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1i4l h TYR 98 Cb 0.83 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.06 1i4l h TYR 98 CO 0.05 -0.31 -0.16 -1.35 -1.64 0.00 0.00 178.16 174.75 1i4l h PRO 99 N 0.14 -0.43 -0.56 1.82 0.11 -1.79 -3.13 132.00 128.17 1i4l h PRO 99 Ca 0.66 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.91 1i4l h PRO 99 Cb 1.49 0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.59 1i4l h PRO 99 CO -0.73 -0.14 -0.16 1.49 -0.21 0.00 0.00 178.00 178.24 1i4l h GLU 100 N -1.01 -0.03 -0.91 1.05 4.81 -0.96 0.94 114.58 118.47 1i4l h GLU 100 Ca -0.05 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1i4l h GLU 100 Cb 0.48 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.81 1i4l h GLU 100 CO 0.07 -0.02 0.59 0.28 -0.73 0.00 0.00 179.01 179.20 1i4l h VAL 101 N -0.03 1.14 -0.01 0.32 2.07 -1.54 -2.18 116.25 116.02 1i4l h VAL 101 Ca 0.27 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 1i4l h VAL 101 Cb 0.43 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1i4l h VAL 101 CO -0.59 0.21 -0.77 0.03 0.02 0.00 0.00 177.57 176.46 1i4l h ARG 102 N 1.13 0.14 -0.45 1.57 2.47 -0.95 -2.17 114.38 116.13 1i4l h ARG 102 Ca 0.36 -0.13 0.13 0.00 -1.26 0.00 0.00 59.98 59.08 1i4l h ARG 102 Cb 0.02 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1i4l h ARG 102 CO -0.12 0.84 0.35 1.25 0.56 0.00 0.00 179.97 182.85 1i4l h HIS 103 N 0.09 0.00 0.00 3.04 2.76 0.15 -2.90 115.15 118.28 1i4l h HIS 103 Ca -0.02 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.94 1i4l h HIS 103 Cb 1.36 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.29 1i4l h HIS 103 CO 0.02 0.00 -1.61 0.72 -1.30 0.00 0.00 177.93 175.75 1i4l n HIS 104 N -4.23 0.00 -3.78 5.26 8.25 -1.17 -4.86 115.22 114.69 1i4l n HIS 104 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 1i4l n HIS 104 Cb 0.55 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.91 1i4l n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i4l s PRO 106 N -1.72 3.82 0.00 0.00 0.04 -1.10 -3.13 135.00 132.91 1i4l s PRO 106 Ca 0.29 -1.70 0.00 0.00 0.04 0.00 0.00 61.00 59.62 1i4l s PRO 106 Cb 0.00 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1i4l s PRO 106 CO -0.13 -2.15 0.00 0.09 0.04 0.00 0.00 177.00 174.85 1i4l n ASN 107 N 8.17 0.00 -4.76 6.66 5.03 -1.26 -5.13 115.26 123.96 1i4l n ASN 107 Ca 0.40 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.48 1i4l n ASN 107 Cb 0.48 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.17 1i4l n ASN 107 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1i4l s THR 108 N 0.00 5.34 0.59 3.41 2.01 -1.18 -5.06 115.64 120.74 1i4l s THR 108 Ca 0.00 0.43 -0.19 0.00 0.31 0.00 0.00 61.69 62.24 1i4l s THR 108 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1i4l s THR 108 CO 0.00 0.46 1.04 -0.81 -0.69 0.00 0.00 174.62 174.62 1i4l n PRO 109 N 3.12 1.02 -4.54 4.92 -0.04 -1.26 -4.81 135.00 133.41 1i4l n PRO 109 Ca -0.14 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1i4l n PRO 109 Cb 0.52 -2.24 -0.15 0.00 -0.04 0.00 0.00 33.50 31.59 1i4l n PRO 109 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i4l s ILE 110 N -1.46 0.99 -0.18 0.52 1.01 -1.26 -1.88 121.20 118.93 1i4l s ILE 110 Ca 0.76 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.93 1i4l s ILE 110 Cb -0.42 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.22 1i4l s ILE 110 CO 0.47 0.29 -0.19 -0.63 0.00 0.00 0.00 174.94 174.88 1i4l s ILE 111 N 0.02 2.02 -0.09 2.92 1.09 0.23 -1.40 121.20 126.00 1i4l s ILE 111 Ca -0.01 -0.92 -0.23 0.00 -1.10 0.00 0.00 60.65 58.38 1i4l s ILE 111 Cb -0.08 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.45 1i4l s ILE 111 CO 0.01 0.52 0.69 -0.22 -0.10 0.00 0.00 174.94 175.84 1i4l s LEU 112 N 1.31 4.29 0.10 2.97 2.96 -1.18 -2.08 118.68 127.04 1i4l s LEU 112 Ca 0.05 1.14 0.10 0.00 -0.22 0.00 0.00 54.13 55.20 1i4l s LEU 112 Cb -0.13 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1i4l s LEU 112 CO -0.13 -0.14 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.82 1i4l s VAL 113 N 0.97 2.33 -0.90 1.68 1.01 -0.86 -2.30 120.40 122.33 1i4l s VAL 113 Ca 0.36 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.71 1i4l s VAL 113 Cb -0.17 -2.00 0.23 0.00 0.00 0.00 0.00 36.38 34.43 1i4l s VAL 113 CO 0.17 0.19 0.81 -0.83 0.00 0.00 0.00 175.10 175.43 1i4l s GLY 114 N -1.80 3.01 0.35 4.51 0.00 -0.68 -3.16 107.32 109.55 1i4l s GLY 114 Ca 0.14 -3.73 -0.28 0.00 0.00 0.00 0.00 44.72 40.84 1i4l s GLY 114 CO 0.05 1.22 1.35 -0.51 0.00 0.00 0.00 173.10 175.21 1i4l s THR 115 N -1.06 2.54 -0.30 0.90 -4.23 -1.06 -2.22 115.64 110.21 1i4l s THR 115 Ca 0.26 0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 61.31 1i4l s THR 115 Cb -0.10 -3.34 -0.00 0.00 1.34 0.00 0.00 72.50 70.40 1i4l s THR 115 CO -0.10 0.13 0.28 0.29 -0.54 0.00 0.00 174.62 174.67 1i4l n LYS 116 N 0.68 -0.54 0.00 3.99 5.02 -0.82 -2.23 118.16 124.26 1i4l n LYS 116 Ca 0.00 0.84 0.14 0.00 -2.02 0.00 0.00 58.31 57.27 1i4l n LYS 116 Cb 0.41 -3.15 0.47 0.00 -0.02 0.00 0.00 35.03 32.73 1i4l n LYS 116 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1i4l n LEU 117 N -1.37 1.16 -0.05 -0.35 7.94 -0.91 -4.09 117.00 119.33 1i4l n LEU 117 Ca -0.00 -0.33 -0.21 0.00 -1.11 0.00 0.00 56.01 54.35 1i4l n LEU 117 Cb 0.50 -0.07 -0.13 0.00 0.53 0.00 0.00 43.42 44.25 1i4l n LEU 117 CO 0.21 0.20 -0.55 -2.24 -1.11 0.00 0.00 177.39 173.90 1i4l h ASP 118 N 1.61 0.18 0.00 1.96 -0.00 -1.93 -3.36 116.42 114.87 1i4l h ASP 118 Ca 0.00 -0.70 -0.06 0.00 -0.00 0.00 0.00 57.03 56.26 1i4l h ASP 118 Cb 0.48 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.73 1i4l h ASP 118 CO 0.00 1.60 -0.07 0.18 -0.00 0.00 0.00 179.24 180.94 1i4l n LEU 119 N -4.10 3.95 -0.03 0.15 4.32 -1.26 -2.92 117.00 117.12 1i4l n LEU 119 Ca -0.30 -2.12 -0.02 0.00 -0.02 0.00 0.00 56.01 53.56 1i4l n LEU 119 Cb 0.81 -0.94 -0.07 0.00 -1.62 0.00 0.00 43.42 41.60 1i4l n LEU 119 CO 0.30 0.93 -0.73 -1.14 -1.22 0.00 0.00 177.39 175.52 1i4l n ARG 120 N 2.08 1.90 -2.55 3.23 0.63 -1.26 -4.61 116.66 116.09 1i4l n ARG 120 Ca 0.15 -0.03 -0.10 0.00 -0.92 0.00 0.00 57.85 56.94 1i4l n ARG 120 Cb 0.51 -1.22 0.03 0.00 0.45 0.00 0.00 32.46 32.24 1i4l n ARG 120 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1i4l n ASP 121 N -2.17 2.77 -4.70 6.15 8.00 -1.15 -4.97 116.55 120.48 1i4l n ASP 121 Ca -0.10 -2.76 -0.28 0.00 0.71 0.00 0.00 54.79 52.36 1i4l n ASP 121 Cb 0.62 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 41.20 1i4l n ASP 121 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1i4l s ASP 122 N -3.63 5.05 -0.92 -2.24 1.47 -1.26 -5.06 116.67 110.08 1i4l s ASP 122 Ca 0.36 -0.25 -0.21 0.00 1.18 0.00 0.00 52.55 53.63 1i4l s ASP 122 Cb 0.37 -1.19 0.09 0.00 -0.34 0.00 0.00 42.92 41.85 1i4l s ASP 122 CO -0.02 0.12 1.24 -1.59 0.68 0.00 0.00 175.17 175.60 1i4l s LYS 123 N -2.73 3.52 0.00 2.11 0.00 -1.26 -3.25 119.74 118.13 1i4l s LYS 123 Ca 0.28 -1.32 0.00 0.00 0.00 0.00 0.00 55.97 54.92 1i4l s LYS 123 Cb -0.10 -4.96 0.00 0.00 0.00 0.00 0.00 37.83 32.76 1i4l s LYS 123 CO 0.20 -1.96 0.00 -3.47 0.00 0.00 0.00 175.35 170.11 1i4l n ASP 124 N 7.73 0.00 0.12 0.03 2.03 -1.26 -4.91 116.55 120.29 1i4l n ASP 124 Ca 0.23 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.52 1i4l n ASP 124 Cb 0.49 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.01 1i4l n ASP 124 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i4l h THR 125 N 0.00 1.43 -0.69 5.18 1.03 -1.96 -2.21 112.91 115.70 1i4l h THR 125 Ca 0.00 -2.35 0.08 0.00 -0.01 0.00 0.00 66.41 64.13 1i4l h THR 125 Cb 0.00 2.29 -0.04 0.00 -1.07 0.00 0.00 68.15 69.32 1i4l h THR 125 CO 0.00 0.66 0.45 -0.29 -0.01 0.00 0.00 175.52 176.33 1i4l h ILE 126 N 0.00 0.96 0.00 0.00 6.09 -1.90 0.80 117.51 123.45 1i4l h ILE 126 Ca -0.01 -0.21 -0.06 0.00 -1.37 0.00 0.00 64.86 63.21 1i4l h ILE 126 Cb 1.23 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 1i4l h ILE 126 CO 0.09 0.11 -0.36 -0.08 -3.07 0.00 0.00 178.15 174.84 1i4l h GLU 127 N 0.61 0.00 0.00 2.19 4.57 -1.78 -3.23 114.58 116.94 1i4l h GLU 127 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1i4l h GLU 127 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1i4l h GLU 127 CO -0.10 0.93 0.00 0.87 -1.18 0.00 0.00 179.01 179.53 1i4l h LYS 128 N -1.00 0.00 -0.12 1.92 1.57 -1.19 0.91 116.57 118.66 1i4l h LYS 128 Ca -0.10 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1i4l h LYS 128 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1i4l h LYS 128 CO -0.06 0.00 -0.46 1.25 -0.57 0.00 0.00 179.45 179.61 1i4l h LEU 129 N 0.00 0.62 -0.76 2.94 6.46 0.52 -2.77 115.31 122.32 1i4l h LEU 129 Ca 0.00 -0.62 -0.12 0.00 -0.12 0.00 0.00 57.88 57.02 1i4l h LEU 129 Cb 0.33 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1i4l h LEU 129 CO 0.00 1.13 -0.41 0.11 -0.62 0.00 0.00 178.44 178.65 1i4l h LYS 130 N 0.14 0.45 -0.50 1.25 1.57 -1.06 -0.62 116.57 117.80 1i4l h LYS 130 Ca -0.02 -0.23 0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1i4l h LYS 130 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1i4l h LYS 130 CO 0.10 0.78 0.48 1.49 -0.57 0.00 0.00 179.45 181.74 1i4l h GLU 131 N 0.37 0.00 -0.57 3.15 4.81 -0.58 0.41 114.58 122.17 1i4l h GLU 131 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1i4l h GLU 131 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1i4l h GLU 131 CO 0.07 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.98 1i4l n LYS 132 N -3.84 2.67 -2.83 1.92 5.02 -1.05 -4.93 118.16 115.12 1i4l n LYS 132 Ca 0.09 -2.41 -0.12 0.00 -2.02 0.00 0.00 58.31 53.85 1i4l n LYS 132 Cb 0.69 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 34.25 1i4l n LYS 132 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1i4l n LYS 133 N 1.31 -3.19 -4.17 1.97 4.81 0.14 -5.03 118.16 114.01 1i4l n LYS 133 Ca 0.20 0.44 -0.10 0.00 -0.87 0.00 0.00 58.31 57.97 1i4l n LYS 133 Cb 0.56 -4.29 -0.10 0.00 0.02 0.00 0.00 35.03 31.22 1i4l n LYS 133 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1i4l s LEU 134 N -3.86 2.17 0.03 3.14 1.43 -0.27 -5.01 118.68 116.32 1i4l s LEU 134 Ca 0.22 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1i4l s LEU 134 Cb -0.10 0.10 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 1i4l s LEU 134 CO 0.27 -0.60 0.02 0.28 0.23 0.00 0.00 176.35 176.55 1i4l s THR 135 N -3.82 0.14 0.85 5.49 -1.32 -1.26 -2.58 115.64 113.14 1i4l s THR 135 Ca 0.18 -1.16 -0.12 0.00 -1.21 0.00 0.00 61.69 59.38 1i4l s THR 135 Cb 0.07 -0.75 0.10 0.00 -1.51 0.00 0.00 72.50 70.41 1i4l s THR 135 CO -0.01 -0.64 1.11 -0.81 -2.21 0.00 0.00 174.62 172.06 1i4l n PRO 136 N 1.00 -0.07 -2.49 7.08 -0.04 -1.26 -4.61 135.00 134.61 1i4l n PRO 136 Ca -0.20 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 1i4l n PRO 136 Cb 0.57 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 1i4l n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i4l s ILE 137 N -2.31 4.25 0.79 0.52 -1.09 -0.17 -5.02 121.20 118.18 1i4l s ILE 137 Ca 0.70 1.61 -0.05 0.00 -2.23 0.00 0.00 60.65 60.68 1i4l s ILE 137 Cb -0.27 -4.03 0.15 0.00 -1.58 0.00 0.00 42.46 36.74 1i4l s ILE 137 CO 0.55 0.09 1.09 0.42 -1.23 0.00 0.00 174.94 175.86 1i4l s THR 138 N 1.33 2.07 0.04 2.92 -4.23 -1.26 -4.95 115.64 111.55 1i4l s THR 138 Ca 0.57 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.37 1i4l s THR 138 Cb -0.27 -2.62 -0.17 0.00 1.34 0.00 0.00 72.50 70.78 1i4l s THR 138 CO 0.27 0.00 1.46 0.22 -0.54 0.00 0.00 174.62 176.03 1i4l h TYR 139 N -0.85 -0.29 -3.98 3.99 5.03 -1.99 -3.41 116.97 115.46 1i4l h TYR 139 Ca -0.38 -0.01 -0.48 0.00 2.58 0.00 0.00 58.73 60.44 1i4l h TYR 139 Cb 1.25 0.10 0.17 0.00 1.55 0.00 0.00 36.73 39.80 1i4l h TYR 139 CO -0.50 -0.03 0.20 -2.14 -1.32 0.00 0.00 178.16 174.37 1i4l s PRO 140 N -5.29 0.86 -0.72 1.82 0.02 -1.26 -0.92 135.00 129.52 1i4l s PRO 140 Ca -0.15 1.01 -0.04 0.00 0.02 0.00 0.00 61.00 61.84 1i4l s PRO 140 Cb 0.03 -1.75 0.01 0.00 0.02 0.00 0.00 34.50 32.81 1i4l s PRO 140 CO 0.61 -2.57 0.65 1.04 -0.33 0.00 0.00 177.00 176.41 1i4l n GLN 141 N -4.13 -1.55 0.00 5.54 1.13 -1.26 -4.35 117.38 112.75 1i4l n GLN 141 Ca 0.07 1.29 0.00 0.00 -1.94 0.00 0.00 57.00 56.42 1i4l n GLN 141 Cb 0.54 -4.24 0.00 0.00 0.11 0.00 0.00 30.24 26.65 1i4l n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i4l n GLY 142 N -1.47 2.40 0.09 1.08 0.00 -1.23 -4.45 105.19 101.60 1i4l n GLY 142 Ca -0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1i4l n GLY 142 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i4l n LEU 143 N 0.00 0.76 -0.02 0.99 7.94 -0.09 -2.81 117.00 123.76 1i4l n LEU 143 Ca 0.00 0.35 -0.07 0.00 -1.11 0.00 0.00 56.01 55.18 1i4l n LEU 143 Cb 0.00 0.16 -0.13 0.00 0.53 0.00 0.00 43.42 43.98 1i4l n LEU 143 CO 0.00 0.29 -0.55 0.00 -1.11 0.00 0.00 177.39 176.02 1i4l n ALA 144 N -2.50 1.60 -0.28 1.96 0.00 -1.26 -3.48 120.51 116.54 1i4l n ALA 144 Ca -0.15 -0.78 -0.06 0.00 0.00 0.00 0.00 53.44 52.45 1i4l n ALA 144 Cb 0.97 -0.80 0.06 0.00 0.00 0.00 0.00 19.45 19.68 1i4l n ALA 144 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1i4l h MET 145 N 0.00 1.14 0.21 0.00 1.85 -1.86 1.12 114.93 117.38 1i4l h MET 145 Ca -0.29 -0.18 -0.01 0.00 -0.61 0.00 0.00 59.70 58.61 1i4l h MET 145 Cb 1.94 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 33.78 1i4l h MET 145 CO 0.07 0.89 -0.10 0.00 -0.40 0.00 0.00 176.91 177.37 1i4l h ALA 146 N 1.18 -0.28 -0.35 0.39 0.00 -1.63 -2.31 119.26 116.27 1i4l h ALA 146 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1i4l h ALA 146 Cb 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1i4l h ALA 146 CO -0.03 -0.66 -0.02 0.87 0.00 0.00 0.00 179.25 179.41 1i4l h LYS 147 N -0.28 0.56 0.00 0.00 1.57 -1.46 0.21 116.57 117.17 1i4l h LYS 147 Ca -0.03 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1i4l h LYS 147 Cb 0.22 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1i4l h LYS 147 CO 0.05 0.60 -0.02 1.49 -0.57 0.00 0.00 179.45 181.00 1i4l h GLU 148 N 0.53 0.00 0.00 3.15 4.81 0.17 -3.32 114.58 119.92 1i4l h GLU 148 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1i4l h GLU 148 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1i4l h GLU 148 CO 0.01 0.02 0.00 -0.89 -0.73 0.00 0.00 179.01 177.43 1i4l n ILE 149 N -3.40 0.00 0.00 2.32 5.41 -0.58 -5.05 119.36 118.06 1i4l n ILE 149 Ca -0.02 0.45 0.00 0.00 1.00 0.00 0.00 62.75 64.17 1i4l n ILE 149 Cb 0.13 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 1i4l n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1i4l n GLY 150 N 1.61 0.00 3.75 7.39 0.00 0.64 -5.11 105.19 113.47 1i4l n GLY 150 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1i4l n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4l s ALA 151 N 0.00 3.69 -1.30 4.61 0.00 -0.90 -4.67 121.76 123.19 1i4l s ALA 151 Ca 0.00 1.44 0.20 0.00 0.00 0.00 0.00 51.96 53.60 1i4l s ALA 151 Cb 0.00 -3.60 0.97 0.00 0.00 0.00 0.00 23.12 20.49 1i4l s ALA 151 CO 0.00 -0.85 1.64 1.33 0.00 0.00 0.00 175.76 177.87 1i4l n VAL 152 N 2.30 0.46 -3.62 0.00 0.24 -0.49 -4.82 118.33 112.39 1i4l n VAL 152 Ca 0.08 0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.47 1i4l n VAL 152 Cb 0.39 -0.78 -0.01 0.00 -1.47 0.00 0.00 33.84 31.97 1i4l n VAL 152 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1i4l s LYS 153 N -2.70 0.54 -0.22 7.34 2.47 -1.26 -5.08 119.74 120.83 1i4l s LYS 153 Ca 0.16 -0.27 -0.04 0.00 -1.56 0.00 0.00 55.97 54.27 1i4l s LYS 153 Cb 0.13 0.20 0.11 0.00 -1.46 0.00 0.00 37.83 36.81 1i4l s LYS 153 CO 0.33 -0.24 0.27 -0.47 0.16 0.00 0.00 175.35 175.39 1i4l s TYR 154 N -2.62 -0.43 0.45 4.03 5.04 -1.26 -3.08 117.35 119.48 1i4l s TYR 154 Ca 0.12 0.39 0.04 0.00 -2.44 0.00 0.00 57.07 55.18 1i4l s TYR 154 Cb 0.02 -0.26 -0.05 0.00 0.35 0.00 0.00 41.96 42.02 1i4l s TYR 154 CO -0.04 -0.64 0.01 -0.51 -1.34 0.00 0.00 175.55 173.04 1i4l s LEU 155 N 2.39 2.57 0.04 6.97 1.43 -0.97 -5.03 118.68 126.07 1i4l s LEU 155 Ca 0.09 -1.50 -0.01 0.00 -1.03 0.00 0.00 54.13 51.67 1i4l s LEU 155 Cb -0.16 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1i4l s LEU 155 CO -0.13 -0.65 -0.00 -1.61 0.23 0.00 0.00 176.35 174.19 1i4l s GLU 156 N -3.79 0.49 0.12 1.70 2.02 -1.26 -1.68 118.70 116.29 1i4l s GLU 156 Ca 0.22 -0.88 -0.25 0.00 0.02 0.00 0.00 54.97 54.08 1i4l s GLU 156 Cb 0.06 0.17 0.08 0.00 0.10 0.00 0.00 34.13 34.55 1i4l s GLU 156 CO 0.11 -0.09 1.09 0.00 0.02 0.00 0.00 175.26 176.38 1i4l s SER 158 N -3.26 1.77 0.12 0.00 0.15 -1.00 -1.94 113.70 109.54 1i4l s SER 158 Ca 0.19 -0.15 0.20 0.00 0.70 0.00 0.00 55.95 56.88 1i4l s SER 158 Cb -0.01 -0.55 0.82 0.00 -1.71 0.00 0.00 66.02 64.57 1i4l s SER 158 CO 0.02 -0.18 1.61 0.00 1.20 0.00 0.00 173.24 175.90 1i4l n ALA 159 N 5.09 1.72 0.58 5.45 0.00 -1.26 0.65 120.51 132.74 1i4l n ALA 159 Ca -0.09 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1i4l n ALA 159 Cb 0.50 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1i4l n ALA 159 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1i4l n LEU 160 N -1.86 0.60 0.00 0.00 7.94 -1.26 -4.34 117.00 118.08 1i4l n LEU 160 Ca 0.03 -0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1i4l n LEU 160 Cb 0.22 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1i4l n LEU 160 CO 0.18 0.08 -0.14 0.35 -1.11 0.00 0.00 177.39 176.75 1i4l n THR 161 N -1.90 0.00 0.00 1.96 -2.24 -0.94 -5.00 114.28 106.16 1i4l n THR 161 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1i4l n THR 161 Cb 0.43 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1i4l n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i4l n GLN 162 N -1.07 0.00 -1.69 -0.78 6.02 0.21 -4.92 117.38 115.15 1i4l n GLN 162 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1i4l n GLN 162 Cb 0.00 -2.88 -0.03 0.00 1.02 0.00 0.00 30.24 28.35 1i4l n GLN 162 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i4l s ARG 163 N 0.00 4.08 0.00 -1.09 3.52 -1.25 -0.82 118.95 123.40 1i4l s ARG 163 Ca 0.00 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1i4l s ARG 163 Cb 0.00 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 1i4l s ARG 163 CO 0.00 -1.02 0.00 0.41 -0.81 0.00 0.00 175.30 173.88 1i4l n GLY 164 N 4.60 2.49 0.00 8.12 0.00 -1.26 -2.37 105.19 116.77 1i4l n GLY 164 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1i4l n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i4l n LEU 165 N 0.00 0.00 -0.54 0.99 7.94 0.00 -2.55 117.00 122.84 1i4l n LEU 165 Ca 0.00 0.91 0.44 0.00 -1.11 0.00 0.00 56.01 56.25 1i4l n LEU 165 Cb 0.00 -0.50 0.74 0.00 0.53 0.00 0.00 43.42 44.19 1i4l n LEU 165 CO 0.00 -0.50 1.36 0.50 -1.11 0.00 0.00 177.39 177.64 1i4l h LYS 166 N 0.00 0.04 0.24 1.96 3.64 -1.92 -1.06 116.57 119.47 1i4l h LYS 166 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1i4l h LYS 166 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1i4l h LYS 166 CO 0.00 0.02 -0.11 1.15 -2.27 0.00 0.00 179.45 178.24 1i4l h THR 167 N 0.04 0.72 -0.77 1.00 2.02 -1.90 -3.25 112.91 110.77 1i4l h THR 167 Ca 0.83 -0.89 0.31 0.00 0.77 0.00 0.00 66.41 67.43 1i4l h THR 167 Cb 3.03 1.14 -0.13 0.00 -1.74 0.00 0.00 68.15 70.46 1i4l h THR 167 CO -0.17 0.16 0.43 0.52 0.37 0.00 0.00 175.52 176.84 1i4l n VAL 168 N -5.02 -0.28 0.02 3.16 0.31 -0.40 0.10 118.33 116.22 1i4l n VAL 168 Ca -0.08 1.44 -0.10 0.00 -0.01 0.00 0.00 64.34 65.59 1i4l n VAL 168 Cb 0.26 -2.35 -0.13 0.00 -0.91 0.00 0.00 33.84 30.71 1i4l n VAL 168 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1i4l h PHE 169 N 0.00 0.10 -0.43 3.52 -1.00 -1.66 -2.66 116.94 114.81 1i4l h PHE 169 Ca 0.62 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 61.28 1i4l h PHE 169 Cb 1.70 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.24 1i4l h PHE 169 CO -0.01 1.09 0.07 -0.44 -1.61 0.00 0.00 178.31 177.42 1i4l h ASP 170 N 0.01 0.61 0.41 2.17 3.32 0.66 0.02 116.42 123.63 1i4l h ASP 170 Ca -0.18 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.60 1i4l h ASP 170 Cb 1.93 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.31 1i4l h ASP 170 CO 0.11 0.64 -0.67 -0.33 -1.72 0.00 0.00 179.24 177.27 1i4l h GLU 171 N 0.64 0.23 -0.57 3.56 4.39 -1.24 -1.07 114.58 120.51 1i4l h GLU 171 Ca 0.14 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1i4l h GLU 171 Cb 0.29 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1i4l h GLU 171 CO 0.00 0.82 0.14 0.00 -1.16 0.00 0.00 179.01 178.81 1i4l h ALA 172 N 1.13 0.76 -0.03 3.43 0.00 -0.91 -0.98 119.26 122.67 1i4l h ALA 172 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1i4l h ALA 172 Cb 1.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1i4l h ALA 172 CO 0.10 0.47 -0.04 0.82 0.00 0.00 0.00 179.25 180.60 1i4l h ILE 173 N 0.83 1.41 -0.86 0.00 2.04 -0.93 -3.04 117.51 116.95 1i4l h ILE 173 Ca 0.18 -1.27 0.06 0.00 1.00 0.00 0.00 64.86 64.83 1i4l h ILE 173 Cb 0.35 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1i4l h ILE 173 CO 0.00 0.34 0.54 0.03 0.00 0.00 0.00 178.15 179.06 1i4l h ARG 174 N -0.43 0.96 -0.09 2.37 3.08 -1.18 0.29 114.38 119.38 1i4l h ARG 174 Ca 0.00 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1i4l h ARG 174 Cb 0.57 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1i4l h ARG 174 CO 0.01 0.64 0.14 0.00 -1.07 0.00 0.00 179.97 179.68 1i4l h ALA 175 N 1.40 1.54 0.00 0.04 0.00 -1.17 0.25 119.26 121.32 1i4l h ALA 175 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1i4l h ALA 175 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i4l h ALA 175 CO -0.16 -0.19 -0.02 0.28 0.00 0.00 0.00 179.25 179.17 1i4l h VAL 176 N 0.00 0.00 0.00 0.00 2.07 -0.34 -3.34 116.25 114.64 1i4l h VAL 176 Ca 0.04 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1i4l h VAL 176 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1i4l h VAL 176 CO -0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1i4l n LEU 177 N -2.68 0.00 0.00 2.57 7.99 -0.88 -5.12 117.00 118.87 1i4l n LEU 177 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1i4l n LEU 177 Cb 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1i4l n LEU 177 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88