#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ilb h GLN 3 N 0.00 0.04 -0.50 -1.46 1.08 -2.02 -3.00 115.11 109.26 3ilb h GLN 3 Ca 0.00 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 3ilb h GLN 3 Cb 0.00 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 3ilb h GLN 3 CO 0.00 0.72 0.20 0.77 -0.95 0.00 0.00 178.83 179.58 3ilb h SER 4 N 0.03 0.24 -0.63 1.46 0.02 -2.05 0.15 113.55 112.77 3ilb h SER 4 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3ilb h SER 4 Cb 1.24 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 3ilb h SER 4 CO 0.09 0.17 0.36 0.78 -1.14 0.00 0.00 176.83 177.10 3ilb h ASN 5 N 0.40 0.79 0.19 3.07 2.35 -1.95 0.27 115.58 120.69 3ilb h ASN 5 Ca 0.23 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3ilb h ASN 5 Cb 0.22 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3ilb h ASN 5 CO -0.21 0.63 -0.23 -0.09 -1.65 0.00 0.00 177.43 175.88 3ilb h ARG 6 N 0.90 0.07 0.10 0.81 2.43 -1.22 -1.21 114.38 116.26 3ilb h ARG 6 Ca 0.23 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.21 3ilb h ARG 6 Cb 0.01 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3ilb h ARG 6 CO -0.04 0.30 -0.73 1.49 -1.51 0.00 0.00 179.97 179.48 3ilb h GLU 7 N 0.07 0.31 -0.49 0.20 4.81 0.20 -2.13 114.58 117.56 3ilb h GLU 7 Ca 0.01 -0.47 0.07 0.00 -0.13 0.00 0.00 59.36 58.84 3ilb h GLU 7 Cb 0.44 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 3ilb h GLU 7 CO 0.03 1.20 0.14 -0.07 -0.73 0.00 0.00 179.01 179.58 3ilb h LEU 8 N -0.34 0.09 0.90 1.64 3.38 -0.56 -1.08 115.31 119.35 3ilb h LEU 8 Ca -0.12 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3ilb h LEU 8 Cb 1.53 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3ilb h LEU 8 CO 0.14 0.08 -0.48 0.58 0.09 0.00 0.00 178.44 178.85 3ilb h VAL 9 N 0.29 0.00 -0.82 1.22 2.07 -1.26 0.92 116.25 118.67 3ilb h VAL 9 Ca 0.24 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.82 3ilb h VAL 9 Cb 0.28 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 3ilb h VAL 9 CO -0.28 0.00 0.50 0.58 0.02 0.00 0.00 177.57 178.40 3ilb h VAL 10 N -1.27 1.04 -0.60 2.57 2.07 -1.35 -0.98 116.25 117.72 3ilb h VAL 10 Ca -0.12 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 3ilb h VAL 10 Cb 0.99 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3ilb h VAL 10 CO 0.17 0.17 0.25 -0.78 0.02 0.00 0.00 177.57 177.40 3ilb h ASP 11 N 0.93 0.83 -0.41 0.57 3.58 -0.97 -1.01 116.42 119.94 3ilb h ASP 11 Ca 0.36 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 3ilb h ASP 11 Cb 0.16 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 3ilb h ASP 11 CO -0.17 0.77 0.01 0.15 -2.88 0.00 0.00 179.24 177.12 3ilb h PHE 12 N 0.84 0.77 -0.34 0.28 3.04 -0.01 -1.53 116.94 119.98 3ilb h PHE 12 Ca 0.20 -0.13 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 3ilb h PHE 12 Cb 0.19 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 3ilb h PHE 12 CO 0.01 0.78 0.00 -0.07 -2.02 0.00 0.00 178.31 177.01 3ilb h LEU 13 N 0.55 0.59 -0.14 0.59 3.38 -1.17 -1.23 115.31 117.88 3ilb h LEU 13 Ca 0.12 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3ilb h LEU 13 Cb 0.46 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3ilb h LEU 13 CO 0.02 0.75 -0.24 0.28 0.09 0.00 0.00 178.44 179.34 3ilb h SER 14 N 0.42 -0.75 -0.28 -0.43 0.02 -1.10 0.06 113.55 111.49 3ilb h SER 14 Ca 0.10 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 3ilb h SER 14 Cb 0.45 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 63.26 3ilb h SER 14 CO 0.02 -0.29 -0.15 0.22 -1.14 0.00 0.00 176.83 175.48 3ilb h TYR 15 N -0.30 -0.38 -0.39 3.45 3.20 -1.24 -1.33 116.97 119.99 3ilb h TYR 15 Ca 0.10 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3ilb h TYR 15 Cb 0.46 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3ilb h TYR 15 CO -0.35 -0.23 0.22 0.87 -1.64 0.00 0.00 178.16 177.04 3ilb h LYS 16 N -0.12 0.54 -0.22 1.82 1.79 -0.78 -0.59 116.57 119.01 3ilb h LYS 16 Ca 0.15 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3ilb h LYS 16 Cb 0.35 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3ilb h LYS 16 CO -0.35 0.43 0.14 -0.07 -1.08 0.00 0.00 179.45 178.51 3ilb h LEU 17 N 0.50 0.26 -1.04 2.94 3.38 -0.73 -2.10 115.31 118.52 3ilb h LEU 17 Ca 0.14 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ilb h LEU 17 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ilb h LEU 17 CO -0.02 0.21 0.13 -1.28 0.09 0.00 0.00 178.44 177.56 3ilb h SER 18 N 0.28 0.76 -0.52 -0.43 0.87 -1.08 0.47 113.55 113.91 3ilb h SER 18 Ca 0.08 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3ilb h SER 18 Cb -0.01 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3ilb h SER 18 CO -0.02 0.74 0.31 -0.61 -0.53 0.00 0.00 176.83 176.73 3ilb h GLN 19 N 0.78 0.72 -0.19 2.24 4.15 -0.79 -1.17 115.11 120.85 3ilb h GLN 19 Ca 0.17 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3ilb h GLN 19 Cb 0.29 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3ilb h GLN 19 CO -0.00 0.51 0.00 1.63 -1.93 0.00 0.00 178.83 179.04 3ilb n LYS 20 N -4.42 1.88 0.00 1.69 4.01 -0.76 -4.89 118.16 115.66 3ilb n LYS 20 Ca 0.05 -1.31 0.00 0.00 -0.51 0.00 0.00 58.31 56.53 3ilb n LYS 20 Cb 0.08 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 3ilb n LYS 20 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ilb n GLY 21 N 1.20 1.01 0.99 0.72 0.00 -0.44 -5.08 105.19 103.59 3ilb n GLY 21 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ilb n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ilb n TYR 22 N -1.98 -0.10 -4.00 1.61 4.01 0.16 -4.95 117.16 111.92 3ilb n TYR 22 Ca 0.00 -0.66 -0.11 0.00 -0.16 0.00 0.00 57.90 56.97 3ilb n TYR 22 Cb 0.00 -0.10 -0.12 0.00 -0.31 0.00 0.00 39.34 38.82 3ilb n TYR 22 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ilb s SER 23 N -1.78 0.43 0.52 7.72 1.04 -1.26 -3.04 113.70 117.32 3ilb s SER 23 Ca 0.02 -0.44 0.25 0.00 0.48 0.00 0.00 55.95 56.26 3ilb s SER 23 Cb -0.00 0.06 1.38 0.00 0.10 0.00 0.00 66.02 67.56 3ilb s SER 23 CO 0.01 -0.22 1.98 -0.25 0.98 0.00 0.00 173.24 175.74 3ilb h TRP 24 N 4.83 0.04 0.00 5.02 2.91 -1.91 -3.48 115.95 123.36 3ilb h TRP 24 Ca -0.32 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.70 3ilb h TRP 24 Cb 1.21 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.84 3ilb h TRP 24 CO 0.62 0.01 0.00 -1.13 -1.03 0.00 0.00 178.44 176.91 3ilb n SER 25 N -4.37 0.00 0.00 2.65 3.41 -1.26 -4.94 113.62 109.11 3ilb n SER 25 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3ilb n SER 25 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3ilb n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ilb n GLY 70 N 4.18 0.11 2.26 5.00 0.00 -1.26 -5.18 105.19 110.30 3ilb n GLY 70 Ca 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3ilb n GLY 70 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ilb n HIS 71 N 0.63 0.04 -3.73 1.61 -0.00 -1.26 -5.17 115.22 107.35 3ilb n HIS 71 Ca 0.00 -1.48 -0.10 0.00 -0.00 0.00 0.00 57.72 56.14 3ilb n HIS 71 Cb 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.99 29.70 3ilb n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3ilb s SER 72 N -2.81 -0.09 0.61 0.41 1.04 -1.26 -5.14 113.70 106.46 3ilb s SER 72 Ca 0.08 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.88 3ilb s SER 72 Cb -0.01 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3ilb s SER 72 CO 0.05 -0.79 1.28 -0.44 0.98 0.00 0.00 173.24 174.32 3ilb s SER 73 N -2.78 4.94 0.91 7.02 0.01 -1.26 -5.02 113.70 117.52 3ilb s SER 73 Ca 0.03 2.59 -0.12 0.00 1.31 0.00 0.00 55.95 59.77 3ilb s SER 73 Cb 0.03 -2.62 0.14 0.00 0.21 0.00 0.00 66.02 63.78 3ilb s SER 73 CO -0.11 -1.78 1.09 -0.94 0.41 0.00 0.00 173.24 171.91 3ilb s SER 74 N -1.34 3.34 0.22 2.44 1.04 -1.26 -4.95 113.70 113.19 3ilb s SER 74 Ca 0.78 1.43 -0.07 0.00 0.48 0.00 0.00 55.95 58.58 3ilb s SER 74 Cb -0.36 -2.11 0.18 0.00 0.10 0.00 0.00 66.02 63.82 3ilb s SER 74 CO 0.40 -2.71 1.75 -0.07 0.98 0.00 0.00 173.24 173.58 3ilb h LEU 75 N -1.60 1.04 -0.43 2.42 3.38 -2.00 -2.79 115.31 115.33 3ilb h LEU 75 Ca -0.50 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.33 3ilb h LEU 75 Cb 1.29 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3ilb h LEU 75 CO 0.55 0.98 -0.16 -0.67 0.09 0.00 0.00 178.44 179.23 3ilb n ASP 76 N -4.25 -0.27 -4.67 -0.43 2.03 -1.26 -4.66 116.55 103.05 3ilb n ASP 76 Ca 0.06 0.75 -0.43 0.00 0.52 0.00 0.00 54.79 55.68 3ilb n ASP 76 Cb 0.24 -0.18 -0.01 0.00 -0.72 0.00 0.00 41.12 40.45 3ilb n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ilb n ALA 77 N -3.78 0.88 -0.33 -1.67 0.00 -1.05 -4.92 120.51 109.63 3ilb n ALA 77 Ca 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 3ilb n ALA 77 Cb 0.18 -2.20 0.10 0.00 0.00 0.00 0.00 19.45 17.53 3ilb n ALA 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ilb h ARG 78 N 2.69 1.13 -4.40 0.00 2.43 -1.90 -3.41 114.38 110.92 3ilb h ARG 78 Ca -0.44 -0.07 -0.56 0.00 -0.81 0.00 0.00 59.98 58.10 3ilb h ARG 78 Cb 1.30 -0.25 -0.36 0.00 -0.42 0.00 0.00 29.97 30.23 3ilb h ARG 78 CO 0.64 0.75 -0.81 -1.21 -1.51 0.00 0.00 179.97 177.82 3ilb s GLU 79 N -6.11 1.82 0.00 0.20 8.01 -1.26 -4.95 118.70 116.41 3ilb s GLU 79 Ca -0.13 -0.37 0.13 0.00 0.01 0.00 0.00 54.97 54.61 3ilb s GLU 79 Cb 0.17 -1.78 -0.13 0.00 -4.31 0.00 0.00 34.13 28.08 3ilb s GLU 79 CO 0.80 -0.25 0.59 1.33 0.01 0.00 0.00 175.26 177.74 3ilb n VAL 80 N 4.85 0.00 -3.06 2.63 0.24 -1.26 -4.95 118.33 116.78 3ilb n VAL 80 Ca -0.14 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 61.57 3ilb n VAL 80 Cb 0.50 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 3ilb n VAL 80 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 3ilb s ILE 81 N -2.23 4.94 0.17 1.34 -1.16 -1.26 -4.60 121.20 118.40 3ilb s ILE 81 Ca 0.06 1.45 -0.34 0.00 -0.51 0.00 0.00 60.65 61.31 3ilb s ILE 81 Cb 0.10 -4.04 -0.13 0.00 0.61 0.00 0.00 42.46 39.00 3ilb s ILE 81 CO 0.54 0.31 1.61 -0.81 -2.81 0.00 0.00 174.94 173.78 3ilb n PRO 82 N 3.33 2.27 -0.42 3.50 -0.04 -1.26 -4.91 135.00 137.48 3ilb n PRO 82 Ca -0.03 0.82 0.35 0.00 -0.04 0.00 0.00 63.50 64.60 3ilb n PRO 82 Cb 0.51 -2.60 0.63 0.00 -0.04 0.00 0.00 33.50 31.99 3ilb n PRO 82 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3ilb h MET 83 N 6.11 0.10 -0.79 0.54 4.05 -1.99 -0.25 114.93 122.70 3ilb h MET 83 Ca -0.45 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.05 3ilb h MET 83 Cb 1.24 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.95 3ilb h MET 83 CO 0.90 0.07 0.46 0.00 0.23 0.00 0.00 176.91 178.57 3ilb h ALA 84 N 1.65 1.11 -0.01 0.39 0.00 -1.99 0.20 119.26 120.62 3ilb h ALA 84 Ca 0.81 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.56 3ilb h ALA 84 Cb 2.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 3ilb h ALA 84 CO -0.46 0.12 -0.81 0.00 0.00 0.00 0.00 179.25 178.10 3ilb h ALA 85 N 1.42 0.63 0.11 0.00 0.00 -1.44 -0.42 119.26 119.56 3ilb h ALA 85 Ca 0.37 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3ilb h ALA 85 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ilb h ALA 85 CO -0.22 0.91 -0.05 0.28 0.00 0.00 0.00 179.25 180.17 3ilb h VAL 86 N 0.08 1.04 -0.90 0.00 2.07 -0.79 -1.48 116.25 116.27 3ilb h VAL 86 Ca -0.03 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3ilb h VAL 86 Cb 1.41 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 3ilb h VAL 86 CO 0.12 0.14 0.55 0.11 0.02 0.00 0.00 177.57 178.51 3ilb h LYS 87 N -0.42 0.91 -0.07 1.57 1.57 -0.59 0.19 116.57 119.73 3ilb h LYS 87 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3ilb h LYS 87 Cb 0.35 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3ilb h LYS 87 CO 0.02 0.60 -0.02 0.37 -0.57 0.00 0.00 179.45 179.86 3ilb h GLN 88 N 0.94 0.14 -0.50 3.15 5.75 -1.02 -1.15 115.11 122.41 3ilb h GLN 88 Ca 0.42 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 3ilb h GLN 88 Cb 0.32 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 3ilb h GLN 88 CO -0.22 0.47 0.33 0.00 -2.65 0.00 0.00 178.83 176.76 3ilb h ALA 89 N 0.67 1.64 0.03 3.38 0.00 -0.73 -2.47 119.26 121.76 3ilb h ALA 89 Ca 0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3ilb h ALA 89 Cb 0.42 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ilb h ALA 89 CO 0.01 0.34 -0.93 1.25 0.00 0.00 0.00 179.25 179.91 3ilb h LEU 90 N 0.68 0.78 -0.51 0.00 5.85 -0.78 -1.20 115.31 120.12 3ilb h LEU 90 Ca 0.18 -0.77 0.10 0.00 0.84 0.00 0.00 57.88 58.24 3ilb h LEU 90 Cb -0.08 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.63 3ilb h LEU 90 CO -0.04 1.45 -0.01 0.03 -0.34 0.00 0.00 178.44 179.53 3ilb h ARG 91 N 0.19 0.11 -0.27 1.25 3.08 -1.14 0.31 114.38 117.91 3ilb h ARG 91 Ca -0.12 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 3ilb h ARG 91 Cb 1.61 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 3ilb h ARG 91 CO 0.18 0.07 -0.42 0.93 -1.07 0.00 0.00 179.97 179.66 3ilb h GLU 92 N 0.11 0.65 -0.13 0.04 5.08 -1.37 0.89 114.58 119.86 3ilb h GLU 92 Ca 0.26 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 58.10 3ilb h GLU 92 Cb 0.39 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.67 3ilb h GLU 92 CO -0.44 0.95 -0.60 0.00 -1.00 0.00 0.00 179.01 177.92 3ilb h ALA 93 N 1.00 0.24 -0.72 3.43 0.00 -0.95 -1.50 119.26 120.77 3ilb h ALA 93 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3ilb h ALA 93 Cb 0.95 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3ilb h ALA 93 CO 0.09 0.50 0.35 0.78 0.00 0.00 0.00 179.25 180.96 3ilb h GLY 94 N 0.28 1.09 0.82 0.00 0.00 -0.17 0.17 103.07 105.28 3ilb h GLY 94 Ca -0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3ilb h GLY 94 CO 0.13 0.50 -0.02 -0.55 0.00 0.00 0.00 176.54 176.60 3ilb h ASP 95 N 1.02 -0.05 -0.92 0.19 3.32 -0.77 0.15 116.42 119.36 3ilb h ASP 95 Ca 0.25 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3ilb h ASP 95 Cb 0.10 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3ilb h ASP 95 CO -0.03 0.14 0.61 -0.33 -1.72 0.00 0.00 179.24 177.90 3ilb h GLU 96 N -0.23 1.10 -0.24 3.56 4.39 -1.04 -1.62 114.58 120.50 3ilb h GLU 96 Ca -0.01 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3ilb h GLU 96 Cb 0.21 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3ilb h GLU 96 CO 0.01 0.73 -0.12 0.35 -1.16 0.00 0.00 179.01 178.82 3ilb h PHE 97 N 1.13 0.58 -0.64 4.33 3.04 -0.51 -2.51 116.94 122.36 3ilb h PHE 97 Ca 0.38 -0.15 0.14 0.00 3.98 0.00 0.00 57.97 62.32 3ilb h PHE 97 Cb 0.06 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 3ilb h PHE 97 CO -0.00 0.78 0.44 1.49 -2.02 0.00 0.00 178.31 178.99 3ilb h GLU 98 N 0.21 0.26 0.00 1.11 4.81 -0.45 -1.44 114.58 119.08 3ilb h GLU 98 Ca 0.05 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.09 3ilb h GLU 98 Cb 0.63 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 3ilb h GLU 98 CO 0.04 0.17 -0.86 -0.07 -0.73 0.00 0.00 179.01 177.55 3ilb h LEU 99 N 0.27 0.00 0.00 1.64 3.38 -0.95 -3.30 115.31 116.34 3ilb h LEU 99 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ilb h LEU 99 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3ilb h LEU 99 CO -0.07 0.85 -0.00 -0.09 0.09 0.00 0.00 178.44 179.22 3ilb h ARG 100 N 0.00 -0.00 -3.15 1.13 9.65 -1.07 -3.40 114.38 117.54 3ilb h ARG 100 Ca -0.01 0.00 -0.72 0.00 -1.10 0.00 0.00 59.98 58.14 3ilb h ARG 100 Cb 1.66 0.00 -0.34 0.00 -1.39 0.00 0.00 29.97 29.90 3ilb h ARG 100 CO 0.11 0.98 0.07 0.66 2.80 0.00 0.00 179.97 184.59 3ilb n TYR 101 N -4.62 3.99 0.20 2.20 4.01 -0.58 -4.84 117.16 117.53 3ilb n TYR 101 Ca -0.10 -3.86 0.04 0.00 -0.16 0.00 0.00 57.90 53.83 3ilb n TYR 101 Cb 0.47 -1.17 0.42 0.00 -0.31 0.00 0.00 39.34 38.75 3ilb n TYR 101 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3ilb h ARG 102 N 5.76 0.00 -0.30 -0.72 1.12 -1.79 -2.84 114.38 115.62 3ilb h ARG 102 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 3ilb h ARG 102 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 3ilb h ARG 102 CO 0.96 0.32 0.00 0.54 -3.11 0.00 0.00 179.97 178.68 3ilb n ARG 103 N -4.00 2.04 -1.87 0.20 1.74 -1.26 -5.00 116.66 108.50 3ilb n ARG 103 Ca -0.02 -1.58 -0.39 0.00 -0.77 0.00 0.00 57.85 55.10 3ilb n ARG 103 Cb 0.38 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3ilb n ARG 103 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ilb s ALA 104 N -1.61 3.00 -0.85 7.54 0.00 -1.07 -3.00 121.76 125.77 3ilb s ALA 104 Ca 0.34 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.61 3ilb s ALA 104 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3ilb s ALA 104 CO 0.27 -1.19 0.00 1.19 0.00 0.00 0.00 175.76 176.03 3ilb n PHE 105 N -0.62 -0.05 0.00 0.00 3.72 -1.26 -4.94 117.46 114.31 3ilb n PHE 105 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3ilb n PHE 105 Cb 0.44 -1.73 0.00 0.00 -0.94 0.00 0.00 39.48 37.25 3ilb n PHE 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ilb n SER 106 N 0.65 0.00 0.32 4.37 2.88 -1.16 0.66 113.62 121.34 3ilb n SER 106 Ca -0.08 0.70 0.20 0.00 -1.33 0.00 0.00 58.87 58.36 3ilb n SER 106 Cb 0.31 -0.32 1.09 0.00 -0.75 0.00 0.00 64.21 64.54 3ilb n SER 106 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3ilb h ASP 107 N 0.00 0.00 0.16 -3.46 3.45 -1.92 0.16 116.42 114.82 3ilb h ASP 107 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3ilb h ASP 107 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3ilb h ASP 107 CO 0.00 0.00 -0.08 -0.07 -1.57 0.00 0.00 179.24 177.52 3ilb h LEU 108 N 0.00 -0.19 -1.65 1.55 4.07 -1.93 0.53 115.31 117.69 3ilb h LEU 108 Ca -0.00 -0.35 0.04 0.00 0.08 0.00 0.00 57.88 57.65 3ilb h LEU 108 Cb 0.01 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 3ilb h LEU 108 CO 0.00 0.35 0.30 0.71 -1.08 0.00 0.00 178.44 178.72 3ilb h THR 109 N -0.83 1.02 0.00 0.22 1.35 0.58 0.25 112.91 115.49 3ilb h THR 109 Ca -0.02 -0.15 -0.11 0.00 -0.55 0.00 0.00 66.41 65.57 3ilb h THR 109 Cb 0.53 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 3ilb h THR 109 CO 0.04 0.08 -0.54 0.28 -0.25 0.00 0.00 175.52 175.13 3ilb h SER 110 N 0.45 0.00 0.44 5.36 0.02 -0.64 -1.74 113.55 117.45 3ilb h SER 110 Ca 0.19 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.86 3ilb h SER 110 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ilb h SER 110 CO -0.05 0.54 -1.23 1.56 -1.14 0.00 0.00 176.83 176.52 3ilb h GLN 111 N 0.00 0.40 -0.24 3.45 1.08 0.61 -3.29 115.11 117.11 3ilb h GLN 111 Ca -0.01 -0.60 0.02 0.00 -1.45 0.00 0.00 58.65 56.62 3ilb h GLN 111 Cb 1.32 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 28.93 3ilb h GLN 111 CO 0.07 1.26 0.08 1.25 -0.95 0.00 0.00 178.83 180.54 3ilb h LEU 112 N 0.15 0.09 -3.11 1.46 6.46 -0.89 -3.47 115.31 116.00 3ilb h LEU 112 Ca -0.15 0.03 -0.35 0.00 -0.12 0.00 0.00 57.88 57.28 3ilb h LEU 112 Cb 1.93 0.02 0.06 0.00 -0.73 0.00 0.00 40.66 41.94 3ilb h LEU 112 CO 0.21 0.08 -0.79 1.57 -0.62 0.00 0.00 178.44 178.90 3ilb n HIS 113 N -5.04 -2.16 -2.33 1.25 -0.00 -0.66 -4.80 115.22 101.48 3ilb n HIS 113 Ca -0.02 0.66 -0.42 0.00 -0.00 0.00 0.00 57.72 57.94 3ilb n HIS 113 Cb 0.09 -3.49 -0.03 0.00 -0.00 0.00 0.00 29.99 26.56 3ilb n HIS 113 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3ilb s ILE 114 N -3.30 3.89 0.34 3.57 2.07 -1.26 -4.93 121.20 121.59 3ilb s ILE 114 Ca 0.31 1.30 0.05 0.00 -1.41 0.00 0.00 60.65 60.91 3ilb s ILE 114 Cb -0.11 -3.83 -0.02 0.00 0.13 0.00 0.00 42.46 38.63 3ilb s ILE 114 CO 0.84 0.04 0.20 0.35 -1.91 0.00 0.00 174.94 174.45 3ilb n THR 115 N 4.38 0.00 1.05 4.00 -2.24 -1.26 -5.01 114.28 115.20 3ilb n THR 115 Ca 0.11 -2.23 0.08 0.00 -2.27 0.00 0.00 64.05 59.75 3ilb n THR 115 Cb 0.45 0.96 0.48 0.00 -2.10 0.00 0.00 70.33 70.12 3ilb n THR 115 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ilb n PRO 116 N -0.71 0.52 -0.00 -0.78 -0.02 -1.26 -2.79 135.00 129.96 3ilb n PRO 116 Ca 0.01 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 3ilb n PRO 116 Cb 0.56 -1.49 -0.13 0.00 -0.02 0.00 0.00 33.50 32.43 3ilb n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ilb n GLY 117 N 0.05 -0.86 3.75 -1.23 0.00 -1.26 -5.00 105.19 100.64 3ilb n GLY 117 Ca 0.12 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3ilb n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ilb n THR 118 N -1.70 1.64 -3.73 2.61 -1.04 -1.12 -5.01 114.28 105.93 3ilb n THR 118 Ca 0.01 -0.41 -0.20 0.00 -2.04 0.00 0.00 64.05 61.41 3ilb n THR 118 Cb 0.38 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 66.98 3ilb n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ilb s ALA 119 N -0.71 4.04 0.10 2.41 0.00 -1.26 -4.95 121.76 121.38 3ilb s ALA 119 Ca 0.58 -1.40 -0.24 0.00 0.00 0.00 0.00 51.96 50.89 3ilb s ALA 119 Cb -0.50 -1.60 -0.13 0.00 0.00 0.00 0.00 23.12 20.89 3ilb s ALA 119 CO 0.58 0.09 1.71 -0.92 0.00 0.00 0.00 175.76 177.21 3ilb h TYR 120 N 1.08 -0.21 -0.99 0.00 3.20 -2.00 -2.91 116.97 115.13 3ilb h TYR 120 Ca -0.48 0.00 0.39 0.00 3.14 0.00 0.00 58.73 61.78 3ilb h TYR 120 Cb 1.25 0.08 -0.18 0.00 1.54 0.00 0.00 36.73 39.42 3ilb h TYR 120 CO 0.46 -0.13 0.44 1.04 -1.64 0.00 0.00 178.16 178.33 3ilb n GLN 121 N -5.20 -0.06 -0.08 1.82 3.00 -1.26 -0.32 117.38 115.28 3ilb n GLN 121 Ca -0.07 1.39 -0.14 0.00 -0.01 0.00 0.00 57.00 58.17 3ilb n GLN 121 Cb 0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 30.24 27.87 3ilb n GLN 121 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 3ilb h SER 122 N 0.00 0.76 -0.36 1.08 0.02 -1.93 -0.37 113.55 112.76 3ilb h SER 122 Ca 0.80 -0.52 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 3ilb h SER 122 Cb 2.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.34 3ilb h SER 122 CO -0.79 1.13 0.17 0.15 -1.14 0.00 0.00 176.83 176.35 3ilb h PHE 123 N 0.41 0.32 -0.47 3.45 3.57 -0.61 -2.84 116.94 120.77 3ilb h PHE 123 Ca 0.02 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3ilb h PHE 123 Cb 0.97 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 3ilb h PHE 123 CO 0.08 0.17 0.20 1.49 -2.23 0.00 0.00 178.31 178.02 3ilb h GLU 124 N 0.36 0.38 -0.58 1.11 4.81 -0.68 -1.18 114.58 118.79 3ilb h GLU 124 Ca 0.15 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3ilb h GLU 124 Cb 0.07 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3ilb h GLU 124 CO -0.11 0.25 0.38 1.96 -0.73 0.00 0.00 179.01 180.76 3ilb h GLN 125 N 0.39 0.75 -0.11 1.92 4.20 -1.01 0.85 115.11 122.11 3ilb h GLN 125 Ca 0.22 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.72 3ilb h GLN 125 Cb 0.18 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3ilb h GLN 125 CO -0.19 0.50 -0.63 0.28 -0.67 0.00 0.00 178.83 178.11 3ilb h VAL 126 N 0.77 1.36 -0.14 -0.54 2.07 -1.25 -3.24 116.25 115.28 3ilb h VAL 126 Ca 0.22 -1.98 -0.16 0.00 0.82 0.00 0.00 66.70 65.60 3ilb h VAL 126 Cb -0.07 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3ilb h VAL 126 CO -0.06 0.60 -0.54 0.58 0.02 0.00 0.00 177.57 178.16 3ilb h VAL 127 N 0.28 1.33 -1.52 2.57 2.07 -1.04 -3.01 116.25 116.93 3ilb h VAL 127 Ca -0.01 -1.81 0.49 0.00 0.82 0.00 0.00 66.70 66.19 3ilb h VAL 127 Cb 1.17 2.05 -0.12 0.00 -1.52 0.00 0.00 31.29 32.87 3ilb h VAL 127 CO 0.11 0.56 1.02 0.78 0.02 0.00 0.00 177.57 180.06 3ilb h ASN 128 N 0.28 0.15 1.01 0.57 -0.26 -0.87 0.81 115.58 117.26 3ilb h ASN 128 Ca -0.03 0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.73 3ilb h ASN 128 Cb 1.18 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.53 3ilb h ASN 128 CO 0.11 -0.17 -0.40 -0.08 -1.06 0.00 0.00 177.43 175.83 3ilb h GLU 129 N 0.02 0.00 0.00 0.81 4.57 -1.55 -1.64 114.58 116.79 3ilb h GLU 129 Ca 0.88 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 59.04 3ilb h GLU 129 Cb 3.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 31.60 3ilb h GLU 129 CO -0.33 0.40 -0.08 1.25 -1.18 0.00 0.00 179.01 179.07 3ilb h LEU 130 N 0.00 0.00 -3.09 1.64 5.85 -0.94 -2.25 115.31 116.52 3ilb h LEU 130 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ilb h LEU 130 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3ilb h LEU 130 CO 0.05 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.73 3ilb n PHE 131 N -4.36 1.12 -0.41 1.25 3.72 -0.70 -4.62 117.46 113.47 3ilb n PHE 131 Ca -0.03 -0.63 0.38 0.00 -0.05 0.00 0.00 57.45 57.12 3ilb n PHE 131 Cb 0.16 -0.20 0.73 0.00 -0.94 0.00 0.00 39.48 39.23 3ilb n PHE 131 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ilb h ARG 132 N 3.16 0.05 -0.02 -1.08 1.12 -0.71 0.81 114.38 117.71 3ilb h ARG 132 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3ilb h ARG 132 Cb 1.27 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 3ilb h ARG 132 CO 0.17 0.03 -0.22 -0.25 -3.11 0.00 0.00 179.97 176.59 3ilb n ASP 133 N -4.23 2.45 0.00 -3.80 8.00 -1.26 -5.07 116.55 112.64 3ilb n ASP 133 Ca 0.30 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 54.07 3ilb n ASP 133 Cb 1.37 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.69 3ilb n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ilb n GLY 134 N 1.37 1.33 3.74 0.44 0.00 0.28 -5.05 105.19 107.29 3ilb n GLY 134 Ca 0.12 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 3ilb n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ilb s VAL 135 N -1.41 4.94 0.20 1.61 1.01 -1.26 -4.68 120.40 120.81 3ilb s VAL 135 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3ilb s VAL 135 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 3ilb s VAL 135 CO 0.00 0.55 0.40 0.54 0.00 0.00 0.00 175.10 176.59 3ilb s ASN 136 N -0.46 -0.06 0.39 3.32 6.03 -1.26 -5.04 114.94 117.86 3ilb s ASN 136 Ca 0.10 -0.83 0.13 0.00 -1.03 0.00 0.00 52.86 51.23 3ilb s ASN 136 Cb -0.12 0.52 0.78 0.00 -3.03 0.00 0.00 41.25 39.40 3ilb s ASN 136 CO 0.02 -1.01 1.86 -0.50 -2.03 0.00 0.00 177.10 175.44 3ilb h TRP 137 N 2.37 0.00 -0.76 1.54 4.06 -1.99 -1.15 115.95 120.02 3ilb h TRP 137 Ca -0.29 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.67 3ilb h TRP 137 Cb 1.24 -0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.37 3ilb h TRP 137 CO 0.39 0.33 0.50 0.78 -3.56 0.00 0.00 178.44 176.88 3ilb h GLY 138 N 1.00 1.06 2.00 1.49 0.00 -2.00 -2.25 103.07 104.37 3ilb h GLY 138 Ca -0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 3ilb h GLY 138 CO 0.04 0.39 -0.68 0.00 0.00 0.00 0.00 176.54 176.30 3ilb h ALA 139 N 1.53 0.63 -0.07 3.60 0.00 -1.59 -2.44 119.26 120.93 3ilb h ALA 139 Ca 0.28 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3ilb h ALA 139 Cb -0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ilb h ALA 139 CO -0.06 0.85 0.02 0.82 0.00 0.00 0.00 179.25 180.88 3ilb h ILE 140 N 0.00 1.17 -0.42 0.00 2.04 -1.08 0.19 117.51 119.41 3ilb h ILE 140 Ca -0.01 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.43 3ilb h ILE 140 Cb 1.42 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 38.82 3ilb h ILE 140 CO 0.09 0.14 0.00 0.58 0.00 0.00 0.00 178.15 178.96 3ilb h VAL 141 N -0.08 0.69 -0.51 1.67 2.07 -1.41 -0.67 116.25 118.00 3ilb h VAL 141 Ca 0.02 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3ilb h VAL 141 Cb 0.21 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3ilb h VAL 141 CO -0.00 0.02 0.26 0.00 0.02 0.00 0.00 177.57 177.87 3ilb h ALA 142 N 1.36 0.66 -0.23 1.67 0.00 -1.03 0.12 119.26 121.80 3ilb h ALA 142 Ca 0.21 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3ilb h ALA 142 Cb 0.29 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3ilb h ALA 142 CO -0.34 -0.09 -0.30 0.35 0.00 0.00 0.00 179.25 178.87 3ilb h PHE 143 N 0.50 -0.84 -0.71 0.00 3.57 -0.24 0.17 116.94 119.40 3ilb h PHE 143 Ca 0.23 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 3ilb h PHE 143 Cb 0.14 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3ilb h PHE 143 CO -0.10 -0.38 0.21 0.74 -2.23 0.00 0.00 178.31 176.55 3ilb h PHE 144 N -0.32 1.15 -0.85 0.41 0.04 -0.37 -1.52 116.94 115.47 3ilb h PHE 144 Ca 0.13 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3ilb h PHE 144 Cb 0.52 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 3ilb h PHE 144 CO -0.44 0.91 0.45 0.77 -0.60 0.00 0.00 178.31 179.40 3ilb h SER 145 N 1.06 1.07 -0.60 2.17 0.02 -0.44 -1.92 113.55 114.91 3ilb h SER 145 Ca 0.23 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3ilb h SER 145 Cb 0.31 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3ilb h SER 145 CO -0.01 0.87 0.02 0.15 -1.14 0.00 0.00 176.83 176.73 3ilb h PHE 146 N 1.19 1.14 -0.61 3.45 3.57 -0.21 0.17 116.94 125.64 3ilb h PHE 146 Ca 0.30 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3ilb h PHE 146 Cb 0.05 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 3ilb h PHE 146 CO 0.01 1.00 0.38 0.78 -2.23 0.00 0.00 178.31 178.24 3ilb h GLY 147 N 1.01 0.87 0.85 2.40 0.00 -1.13 0.20 103.07 107.27 3ilb h GLY 147 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3ilb h GLY 147 CO 0.03 0.25 0.05 -1.33 0.00 0.00 0.00 176.54 175.53 3ilb h GLY 148 N 0.75 0.28 1.56 4.60 0.00 -0.96 -0.92 103.07 108.38 3ilb h GLY 148 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3ilb h GLY 148 CO -0.10 0.15 0.15 0.00 0.00 0.00 0.00 176.54 176.74 3ilb h ALA 149 N 0.86 1.52 -0.88 3.60 0.00 -0.53 -0.44 119.26 123.40 3ilb h ALA 149 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ilb h ALA 149 Cb 0.23 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3ilb h ALA 149 CO -0.00 0.37 0.58 1.25 0.00 0.00 0.00 179.25 181.45 3ilb h LEU 150 N 0.56 0.99 -0.15 0.00 5.85 0.01 -1.49 115.31 121.09 3ilb h LEU 150 Ca 0.14 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3ilb h LEU 150 Cb 0.14 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3ilb h LEU 150 CO -0.01 0.71 -0.25 0.00 -0.34 0.00 0.00 178.44 178.55 3ilb h VAL 152 N 0.06 1.24 -0.48 0.00 2.07 -0.89 -1.56 116.25 116.69 3ilb h VAL 152 Ca 0.01 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3ilb h VAL 152 Cb 0.82 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3ilb h VAL 152 CO 0.06 0.27 0.04 -0.08 0.02 0.00 0.00 177.57 177.87 3ilb h GLU 153 N 1.18 0.77 -0.16 1.57 4.81 -1.22 -1.93 114.58 119.60 3ilb h GLU 153 Ca 0.30 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 3ilb h GLU 153 Cb -0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3ilb h GLU 153 CO -0.05 0.76 -0.67 0.77 -0.73 0.00 0.00 179.01 179.09 3ilb h SER 154 N 0.73 0.74 -0.37 1.04 0.02 -1.06 -2.25 113.55 112.40 3ilb h SER 154 Ca 0.15 -0.45 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 3ilb h SER 154 Cb 0.39 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3ilb h SER 154 CO 0.01 1.21 0.01 0.58 -1.14 0.00 0.00 176.83 177.50 3ilb h VAL 155 N 0.46 1.26 -0.95 2.27 2.07 -1.20 0.84 116.25 121.00 3ilb h VAL 155 Ca -0.02 -0.97 0.25 0.00 0.82 0.00 0.00 66.70 66.78 3ilb h VAL 155 Cb 1.26 1.15 -0.13 0.00 -1.52 0.00 0.00 31.29 32.05 3ilb h VAL 155 CO 0.13 0.33 0.48 0.44 0.02 0.00 0.00 177.57 178.97 3ilb h ASP 156 N 0.48 0.46 -0.56 0.57 3.32 -1.33 -1.56 116.42 117.79 3ilb h ASP 156 Ca 0.11 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3ilb h ASP 156 Cb 0.45 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3ilb h ASP 156 CO 0.02 -0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 3ilb n LYS 157 N -5.01 3.85 -3.45 3.56 5.02 -0.85 -4.93 118.16 116.35 3ilb n LYS 157 Ca 0.25 -2.67 -0.21 0.00 -2.02 0.00 0.00 58.31 53.67 3ilb n LYS 157 Cb 0.75 -1.97 0.07 0.00 -0.02 0.00 0.00 35.03 33.86 3ilb n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ilb n GLU 158 N 0.84 -6.95 -2.63 1.97 -0.58 -0.59 -4.94 120.64 107.76 3ilb n GLU 158 Ca 0.24 0.73 -0.27 0.00 -0.42 0.00 0.00 57.16 57.44 3ilb n GLU 158 Cb 0.92 -5.47 -0.01 0.00 -0.57 0.00 0.00 31.44 26.31 3ilb n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3ilb n MET 159 N -4.42 3.30 -0.15 3.49 2.81 0.28 -4.87 117.12 117.57 3ilb n MET 159 Ca -0.01 -4.59 0.28 0.00 -1.81 0.00 0.00 57.70 51.58 3ilb n MET 159 Cb 0.56 -2.22 0.71 0.00 -0.71 0.00 0.00 33.22 31.56 3ilb n MET 159 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3ilb h GLN 160 N 2.72 0.00 -0.07 0.03 -0.00 -1.87 -0.40 115.11 115.51 3ilb h GLN 160 Ca 0.24 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.91 3ilb h GLN 160 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.27 3ilb h GLN 160 CO 0.83 0.00 0.06 -0.39 -0.00 0.00 0.00 178.83 179.33 3ilb h VAL 161 N 0.00 0.74 0.00 1.86 -1.51 -1.92 -1.13 116.25 114.29 3ilb h VAL 161 Ca 0.41 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.81 3ilb h VAL 161 Cb 1.84 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.94 3ilb h VAL 161 CO -0.00 0.00 -0.31 -0.07 -1.23 0.00 0.00 177.57 175.95 3ilb h LEU 162 N 0.00 0.00 -0.31 4.19 3.38 -1.45 -3.35 115.31 117.77 3ilb h LEU 162 Ca 0.03 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3ilb h LEU 162 Cb 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3ilb h LEU 162 CO -0.00 0.31 -0.43 0.58 0.09 0.00 0.00 178.44 178.99 3ilb h VAL 163 N 0.00 0.12 0.00 1.22 2.07 -1.37 0.16 116.25 118.45 3ilb h VAL 163 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ilb h VAL 163 Cb 0.87 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ilb h VAL 163 CO 0.04 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 178.34 3ilb h SER 164 N -0.38 0.00 0.45 0.57 4.64 -1.78 -2.46 113.55 114.58 3ilb h SER 164 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3ilb h SER 164 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3ilb h SER 164 CO -0.51 0.06 -0.22 -0.09 -0.87 0.00 0.00 176.83 175.20 3ilb h ARG 165 N 0.00 -0.59 -0.70 4.77 2.43 -1.43 0.15 114.38 119.02 3ilb h ARG 165 Ca -0.00 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 3ilb h ARG 165 Cb 0.79 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.39 3ilb h ARG 165 CO 0.01 -0.31 0.27 0.82 -1.51 0.00 0.00 179.97 179.25 3ilb h ILE 166 N -0.79 0.70 -0.32 1.20 2.04 -0.66 0.87 117.51 120.56 3ilb h ILE 166 Ca -0.06 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3ilb h ILE 166 Cb 0.55 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3ilb h ILE 166 CO 0.10 0.08 0.09 0.00 0.00 0.00 0.00 178.15 178.42 3ilb h ALA 167 N 1.49 0.42 -0.75 1.87 0.00 -1.34 0.34 119.26 121.30 3ilb h ALA 167 Ca 0.37 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.18 3ilb h ALA 167 Cb 0.52 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3ilb h ALA 167 CO -0.37 0.08 0.43 1.03 0.00 0.00 0.00 179.25 180.43 3ilb h SER 168 N 0.36 0.64 0.02 0.00 0.87 0.47 0.18 113.55 116.10 3ilb h SER 168 Ca 0.10 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.54 3ilb h SER 168 Cb 0.28 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3ilb h SER 168 CO -0.00 0.40 -0.51 -0.50 -0.53 0.00 0.00 176.83 175.69 3ilb h TRP 169 N 0.77 0.67 -0.70 2.24 6.55 0.19 -1.41 115.95 124.26 3ilb h TRP 169 Ca 0.34 -0.22 -0.03 0.00 0.95 0.00 0.00 58.89 59.93 3ilb h TRP 169 Cb 0.24 -0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 28.38 3ilb h TRP 169 CO -0.07 0.94 0.32 0.52 -1.05 0.00 0.00 178.44 179.10 3ilb h MET 170 N 0.42 1.03 -0.47 0.49 2.86 0.33 0.16 114.93 119.76 3ilb h MET 170 Ca 0.02 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3ilb h MET 170 Cb 1.04 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 3ilb h MET 170 CO 0.10 0.82 0.29 0.00 1.06 0.00 0.00 176.91 179.18 3ilb h ALA 171 N 1.15 0.59 -0.28 6.32 0.00 -0.32 -0.31 119.26 126.41 3ilb h ALA 171 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ilb h ALA 171 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ilb h ALA 171 CO -0.03 0.00 0.09 1.15 0.00 0.00 0.00 179.25 180.47 3ilb h THR 172 N 0.59 1.19 -0.53 0.00 2.02 -0.89 0.58 112.91 115.88 3ilb h THR 172 Ca 0.18 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3ilb h THR 172 Cb -0.03 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3ilb h THR 172 CO -0.06 0.21 0.12 0.22 0.37 0.00 0.00 175.52 176.38 3ilb h TYR 173 N 0.29 0.89 0.01 3.16 5.03 -0.49 0.49 116.97 126.35 3ilb h TYR 173 Ca 0.09 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.32 3ilb h TYR 173 Cb 0.23 -0.25 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 3ilb h TYR 173 CO 0.00 0.78 -0.20 1.25 -1.32 0.00 0.00 178.16 178.67 3ilb h LEU 174 N 0.74 -0.59 -0.05 2.82 7.12 -0.81 0.86 115.31 125.39 3ilb h LEU 174 Ca 0.16 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.25 3ilb h LEU 174 Cb 0.35 0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.72 3ilb h LEU 174 CO 0.00 -0.27 0.02 0.78 -0.13 0.00 0.00 178.44 178.84 3ilb h ASN 175 N -0.33 0.08 -0.23 1.25 -0.26 -0.75 0.48 115.58 115.82 3ilb h ASN 175 Ca 0.06 -0.20 -0.05 0.00 -0.56 0.00 0.00 56.30 55.55 3ilb h ASN 175 Cb 0.40 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3ilb h ASN 175 CO -0.18 0.26 -0.04 0.44 -1.06 0.00 0.00 177.43 176.85 3ilb h ASP 176 N -0.11 0.43 0.00 5.81 5.19 0.08 -3.41 116.42 124.41 3ilb h ASP 176 Ca 0.02 -0.35 -0.26 0.00 -0.62 0.00 0.00 57.03 55.82 3ilb h ASP 176 Cb 0.21 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 3ilb h ASP 176 CO -0.00 0.68 -1.97 1.41 -3.12 0.00 0.00 179.24 176.23 3ilb n HIS 177 N -4.61 0.00 -0.07 4.55 8.25 0.30 -4.86 115.22 118.78 3ilb n HIS 177 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 3ilb n HIS 177 Cb 0.27 -0.68 -0.07 0.00 1.12 0.00 0.00 29.99 30.63 3ilb n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ilb n LEU 178 N -2.67 2.82 -0.27 2.41 4.77 0.95 -4.47 117.00 120.53 3ilb n LEU 178 Ca -0.25 -0.07 0.04 0.00 -0.03 0.00 0.00 56.01 55.69 3ilb n LEU 178 Cb 0.91 -0.45 0.18 0.00 -2.33 0.00 0.00 43.42 41.73 3ilb n LEU 178 CO 0.26 0.71 1.08 -0.33 -1.33 0.00 0.00 177.39 177.78 3ilb h GLU 179 N 0.00 0.59 -0.06 3.23 4.39 -0.48 0.13 114.58 122.37 3ilb h GLU 179 Ca -0.31 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.37 3ilb h GLU 179 Cb 1.50 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 3ilb h GLU 179 CO -0.04 0.39 0.08 -1.35 -1.16 0.00 0.00 179.01 176.92 3ilb h PRO 180 N 0.61 0.00 0.13 2.33 0.11 -1.81 0.29 132.00 133.65 3ilb h PRO 180 Ca 0.40 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.26 3ilb h PRO 180 Cb 0.49 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.61 3ilb h PRO 180 CO -0.32 0.00 -1.21 2.35 -0.21 0.00 0.00 178.00 178.61 3ilb h TRP 181 N 0.00 0.49 -0.38 0.65 7.01 -1.15 -3.22 115.95 119.35 3ilb h TRP 181 Ca 0.03 -0.36 0.05 0.00 2.11 0.00 0.00 58.89 60.72 3ilb h TRP 181 Cb 0.18 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 3ilb h TRP 181 CO 0.00 1.47 0.11 0.82 -2.79 0.00 0.00 178.44 178.05 3ilb h ILE 182 N -0.32 0.86 0.00 2.65 2.04 0.28 -0.38 117.51 122.63 3ilb h ILE 182 Ca -0.25 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3ilb h ILE 182 Cb 1.73 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3ilb h ILE 182 CO 0.09 0.05 0.00 1.56 0.00 0.00 0.00 178.15 179.85 3ilb h GLN 183 N 0.26 0.00 -0.24 2.37 1.08 -0.62 0.93 115.11 118.89 3ilb h GLN 183 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3ilb h GLN 183 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3ilb h GLN 183 CO -0.20 0.00 0.00 0.39 -0.95 0.00 0.00 178.83 178.07 3ilb n GLU 184 N -2.58 2.36 -0.56 1.46 -0.58 -0.73 -4.45 120.64 115.56 3ilb n GLU 184 Ca 0.01 -2.11 0.06 0.00 -0.42 0.00 0.00 57.16 54.71 3ilb n GLU 184 Cb 0.26 -1.48 0.14 0.00 -0.57 0.00 0.00 31.44 29.79 3ilb n GLU 184 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3ilb n ASN 185 N 1.39 1.64 0.00 1.62 3.02 0.18 -4.96 115.26 118.14 3ilb n ASN 185 Ca 0.17 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 3ilb n ASN 185 Cb 0.59 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3ilb n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ilb n GLY 186 N -0.88 0.59 3.83 7.41 0.00 -1.12 -4.87 105.19 110.16 3ilb n GLY 186 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 3ilb n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ilb n GLY 187 N -2.00 -1.72 0.33 -0.02 0.00 -0.34 -2.14 105.19 99.30 3ilb n GLY 187 Ca 0.00 -1.23 0.15 0.00 0.00 0.00 0.00 46.02 44.94 3ilb n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ilb h TRP 188 N -0.44 0.00 -0.54 1.61 4.06 -1.95 -2.61 115.95 116.08 3ilb h TRP 188 Ca 0.01 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.06 3ilb h TRP 188 Cb 0.43 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.48 3ilb h TRP 188 CO 0.00 0.00 -0.33 -0.44 -3.56 0.00 0.00 178.44 174.11 3ilb h ASP 189 N 0.00 -1.13 -0.76 -3.49 3.32 -1.91 -1.38 116.42 111.07 3ilb h ASP 189 Ca 0.14 0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.45 3ilb h ASP 189 Cb 0.56 0.55 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 3ilb h ASP 189 CO -0.00 -0.31 0.47 0.74 -1.72 0.00 0.00 179.24 178.42 3ilb h THR 190 N -0.18 1.08 -0.78 0.35 2.02 -1.03 -1.58 112.91 112.78 3ilb h THR 190 Ca 0.22 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3ilb h THR 190 Cb 0.54 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 3ilb h THR 190 CO -0.64 0.16 0.40 0.15 0.37 0.00 0.00 175.52 175.96 3ilb h PHE 191 N 0.90 1.10 -0.33 3.16 3.57 -1.40 -2.22 116.94 121.72 3ilb h PHE 191 Ca 0.31 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3ilb h PHE 191 Cb 0.07 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3ilb h PHE 191 CO -0.04 0.79 0.19 0.28 -2.23 0.00 0.00 178.31 177.30 3ilb h VAL 192 N 1.09 1.12 -0.94 1.41 2.07 -0.88 -1.48 116.25 118.65 3ilb h VAL 192 Ca 0.27 -0.31 0.25 0.00 0.82 0.00 0.00 66.70 67.73 3ilb h VAL 192 Cb 0.08 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 3ilb h VAL 192 CO -0.04 0.13 0.46 0.44 0.02 0.00 0.00 177.57 178.58 3ilb h ASP 193 N 0.43 0.42 0.54 0.57 3.32 -0.88 0.30 116.42 121.12 3ilb h ASP 193 Ca 0.12 0.16 -0.18 0.00 0.02 0.00 0.00 57.03 57.15 3ilb h ASP 193 Cb 0.03 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3ilb h ASP 193 CO -0.02 -0.01 -1.60 0.18 -1.72 0.00 0.00 179.24 176.07 3ilb n LEU 194 N -5.02 0.67 0.00 1.55 4.77 -0.87 -4.46 117.00 113.63 3ilb n LEU 194 Ca 0.25 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3ilb n LEU 194 Cb 0.74 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3ilb n LEU 194 CO 0.13 0.18 -0.38 -1.22 -1.33 0.00 0.00 177.39 174.77 3ilb n TYR 195 N -2.82 0.00 1.15 -1.77 4.02 -0.59 -5.11 117.16 112.04 3ilb n TYR 195 Ca -0.12 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.86 3ilb n TYR 195 Cb 0.86 0.00 0.55 0.00 -0.02 0.00 0.00 39.34 40.73 3ilb n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26