#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d89 s SER 2 N 0.00 -0.05 -0.36 1.61 0.15 -1.26 -5.10 113.70 108.69 2d89 s SER 2 Ca 0.00 0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.40 2d89 s SER 2 Cb 0.00 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.51 2d89 s SER 2 CO 0.00 -0.22 2.30 -0.55 1.20 0.00 0.00 173.24 175.97 2d89 s SER 3 N -0.70 4.95 -0.06 5.45 0.15 -1.26 -4.56 113.70 117.68 2d89 s SER 3 Ca -0.08 1.45 0.01 0.00 0.70 0.00 0.00 55.95 58.03 2d89 s SER 3 Cb -0.05 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2d89 s SER 3 CO 0.01 -2.42 0.64 0.61 1.20 0.00 0.00 173.24 173.28 2d89 n GLY 4 N 5.88 -0.69 3.20 9.45 0.00 -1.26 -5.16 105.19 116.62 2d89 n GLY 4 Ca 0.33 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 2d89 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d89 s SER 5 N -0.12 -0.15 0.02 1.61 1.04 -1.26 -5.09 113.70 109.75 2d89 s SER 5 Ca 0.01 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 2d89 s SER 5 Cb 0.05 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2d89 s SER 5 CO -0.01 -0.40 -0.07 -0.24 0.98 0.00 0.00 173.24 173.50 2d89 n SER 6 N 1.44 0.96 0.00 7.02 2.88 -1.26 -5.13 113.62 119.53 2d89 n SER 6 Ca -0.21 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2d89 n SER 6 Cb 0.56 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2d89 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d89 n GLY 7 N 2.96 -0.79 0.24 0.46 0.00 -1.26 -5.11 105.19 101.69 2d89 n GLY 7 Ca -0.03 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 2d89 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d89 n PRO 8 N 0.00 -1.17 -3.98 1.61 -0.04 -1.26 -4.35 135.00 125.81 2d89 n PRO 8 Ca 0.00 -0.12 -0.28 0.00 -0.04 0.00 0.00 63.50 63.06 2d89 n PRO 8 Cb 0.00 -0.11 -0.01 0.00 -0.04 0.00 0.00 33.50 33.34 2d89 n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2d89 n ASN 9 N -3.13 -1.74 -3.45 3.54 5.15 -1.26 -4.94 115.26 109.43 2d89 n ASN 9 Ca 0.01 -0.95 0.01 0.00 -0.60 0.00 0.00 54.58 53.05 2d89 n ASN 9 Cb 0.04 -3.23 -0.05 0.00 -0.53 0.00 0.00 39.78 36.02 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2d89 s ALA 10 N -3.68 -2.65 -0.02 5.20 0.00 -1.26 -5.07 121.76 114.27 2d89 s ALA 10 Ca 0.27 2.06 -0.11 0.00 0.00 0.00 0.00 51.96 54.18 2d89 s ALA 10 Cb -0.14 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.93 2d89 s ALA 10 CO 0.88 -0.78 0.58 0.77 0.00 0.00 0.00 175.76 177.21 2d89 h SER 11 N 7.01 -0.34 -0.96 0.00 0.02 -1.92 -3.29 113.55 114.07 2d89 h SER 11 Ca -0.19 0.01 0.31 0.00 -0.84 0.00 0.00 61.79 61.08 2d89 h SER 11 Cb 1.14 0.09 -0.16 0.00 0.14 0.00 0.00 62.40 63.60 2d89 h SER 11 CO 0.11 -0.03 0.32 -0.61 -1.14 0.00 0.00 176.83 175.48 2d89 h GLN 12 N -0.82 0.12 -0.74 3.45 5.75 -1.98 0.09 115.11 120.98 2d89 h GLN 12 Ca -0.04 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 2d89 h GLN 12 Cb 0.31 -0.03 -0.12 0.00 1.07 0.00 0.00 27.48 28.71 2d89 h GLN 12 CO 0.07 0.08 -0.48 0.77 -2.65 0.00 0.00 178.83 176.61 2d89 h SER 13 N 0.12 -1.71 0.42 -0.69 0.02 -1.89 -1.78 113.55 108.05 2d89 h SER 13 Ca 0.67 0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.89 2d89 h SER 13 Cb 1.53 0.78 -0.01 0.00 0.14 0.00 0.00 62.40 64.85 2d89 h SER 13 CO -0.75 -0.31 -0.30 0.25 -1.14 0.00 0.00 176.83 174.58 2d89 h LEU 14 N -0.15 -0.78 -0.24 5.07 5.85 -1.08 -2.76 115.31 121.21 2d89 h LEU 14 Ca 0.19 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2d89 h LEU 14 Cb 0.53 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2d89 h LEU 14 CO -0.79 -0.44 -0.14 -0.11 -0.34 0.00 0.00 178.44 176.62 2d89 n LEU 15 N -4.21 -0.26 -0.23 2.25 7.94 -0.90 -0.07 117.00 121.52 2d89 n LEU 15 Ca -0.08 0.80 -0.12 0.00 -1.11 0.00 0.00 56.01 55.49 2d89 n LEU 15 Cb 0.30 -0.24 -0.09 0.00 0.53 0.00 0.00 43.42 43.92 2d89 n LEU 15 CO 0.19 -0.54 0.50 0.58 -1.11 0.00 0.00 177.39 177.02 2d89 h VAL 16 N 0.00 0.01 -0.61 1.96 2.07 -1.33 0.14 116.25 118.49 2d89 h VAL 16 Ca 0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.80 2d89 h VAL 16 Cb 0.10 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.77 2d89 h VAL 16 CO -0.23 0.00 0.27 1.87 0.02 0.00 0.00 177.57 179.50 2d89 n TRP 17 N -5.35 0.66 -0.03 1.57 -0.00 0.90 0.20 117.44 115.39 2d89 n TRP 17 Ca -0.01 0.72 -0.16 0.00 -0.00 0.00 0.00 57.50 58.06 2d89 n TRP 17 Cb 0.32 -1.12 -0.12 0.00 -0.00 0.00 0.00 31.31 30.38 2d89 n TRP 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2d89 h LYS 19 N -0.62 0.88 0.00 0.00 1.57 0.28 -1.42 116.57 117.27 2d89 h LYS 19 Ca -0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2d89 h LYS 19 Cb 1.09 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2d89 h LYS 19 CO 0.05 0.58 0.00 -1.91 -0.57 0.00 0.00 179.45 177.60 2d89 n GLU 20 N -4.66 0.00 0.02 3.15 4.07 0.12 -0.54 120.64 122.80 2d89 n GLU 20 Ca 0.12 0.59 0.22 0.00 -0.06 0.00 0.00 57.16 58.04 2d89 n GLU 20 Cb 0.20 -1.49 0.68 0.00 -0.06 0.00 0.00 31.44 30.77 2d89 n GLU 20 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 2d89 h VAL 21 N 0.00 0.27 -0.68 6.31 -1.51 -1.53 0.79 116.25 119.89 2d89 h VAL 21 Ca 0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 65.13 2d89 h VAL 21 Cb 0.00 0.49 -0.20 0.00 -2.13 0.00 0.00 31.29 29.45 2d89 h VAL 21 CO 0.00 0.00 0.29 0.35 -1.23 0.00 0.00 177.57 176.98 2d89 n THR 22 N -3.57 2.88 0.21 7.19 -2.24 -0.54 -4.49 114.28 113.72 2d89 n THR 22 Ca 0.11 -2.27 0.10 0.00 -2.27 0.00 0.00 64.05 59.73 2d89 n THR 22 Cb 0.84 -0.39 0.25 0.00 -2.10 0.00 0.00 70.33 68.93 2d89 n THR 22 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2d89 h LYS 23 N 1.14 0.00 -1.58 -0.78 2.10 0.32 -3.29 116.57 114.48 2d89 h LYS 23 Ca 0.41 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.46 2d89 h LYS 23 Cb 2.27 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 33.20 2d89 h LYS 23 CO 0.75 0.14 -0.56 0.09 -2.00 0.00 0.00 179.45 177.87 2d89 n ASN 24 N -3.16 4.97 -4.18 7.07 3.02 -1.26 -5.04 115.26 116.68 2d89 n ASN 24 Ca 0.03 -3.73 -0.27 0.00 -0.03 0.00 0.00 54.58 50.57 2d89 n ASN 24 Cb 0.53 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 2d89 n ASN 24 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2d89 n TYR 25 N -0.48 0.83 -3.93 3.10 4.02 -1.24 -5.13 117.16 114.33 2d89 n TYR 25 Ca 0.40 -2.21 -0.30 0.00 -0.01 0.00 0.00 57.90 55.77 2d89 n TYR 25 Cb 0.62 -0.23 -0.15 0.00 -0.02 0.00 0.00 39.34 39.55 2d89 n TYR 25 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2d89 s ARG 26 N -3.55 1.42 0.00 -0.72 3.52 -1.26 -4.75 118.95 113.61 2d89 s ARG 26 Ca 0.04 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 2d89 s ARG 26 Cb 0.00 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2d89 s ARG 26 CO 0.03 -0.78 0.00 0.41 -0.81 0.00 0.00 175.30 174.15 2d89 n GLY 27 N 4.57 0.86 2.77 8.12 0.00 -1.26 -5.06 105.19 115.19 2d89 n GLY 27 Ca -0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 2d89 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d89 s VAL 28 N -2.41 1.89 -0.44 1.61 1.01 -1.26 -4.93 120.40 115.87 2d89 s VAL 28 Ca 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 61.98 58.85 2d89 s VAL 28 Cb 0.00 -2.29 0.12 0.00 0.00 0.00 0.00 36.38 34.20 2d89 s VAL 28 CO 0.00 -0.94 0.20 -0.75 0.00 0.00 0.00 175.10 173.61 2d89 s LYS 29 N -0.23 1.92 -1.22 2.72 2.20 -1.26 -4.97 119.74 118.90 2d89 s LYS 29 Ca 0.21 -2.06 -0.21 0.00 -0.36 0.00 0.00 55.97 53.55 2d89 s LYS 29 Cb -0.17 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 2d89 s LYS 29 CO -0.06 -1.05 1.82 0.42 -0.36 0.00 0.00 175.35 176.12 2d89 s ILE 30 N 0.68 3.81 -0.12 5.43 1.09 -1.26 -4.61 121.20 126.22 2d89 s ILE 30 Ca 0.12 -1.33 0.17 0.00 -1.10 0.00 0.00 60.65 58.50 2d89 s ILE 30 Cb -0.22 -4.85 -0.21 0.00 -1.06 0.00 0.00 42.46 36.12 2d89 s ILE 30 CO -0.05 -1.50 0.52 0.41 -0.10 0.00 0.00 174.94 174.23 2d89 n THR 31 N 7.14 1.22 -3.79 2.92 -1.04 -1.26 -4.98 114.28 114.49 2d89 n THR 31 Ca 0.46 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.05 61.61 2d89 n THR 31 Cb 0.47 -0.64 -0.08 0.00 -1.82 0.00 0.00 70.33 68.25 2d89 n THR 31 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2d89 s ASN 32 N -5.63 -0.08 -0.05 8.00 2.20 -1.26 -5.03 114.94 113.09 2d89 s ASN 32 Ca -0.06 -0.16 0.12 0.00 -0.94 0.00 0.00 52.86 51.82 2d89 s ASN 32 Cb 0.08 0.31 0.44 0.00 -2.00 0.00 0.00 41.25 40.08 2d89 s ASN 32 CO 0.83 -0.52 1.31 0.49 -2.94 0.00 0.00 177.10 176.26 2d89 n PHE 33 N 0.90 0.84 -0.01 1.54 3.72 -1.26 -3.28 117.46 119.92 2d89 n PHE 33 Ca -0.20 -0.35 -0.02 0.00 -0.05 0.00 0.00 57.45 56.83 2d89 n PHE 33 Cb 0.58 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.98 2d89 n PHE 33 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2d89 n THR 34 N 0.67 0.80 -0.07 4.37 -2.24 -1.26 -4.56 114.28 111.99 2d89 n THR 34 Ca 0.16 0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2d89 n THR 34 Cb 0.54 -1.63 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 2d89 n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2d89 h THR 35 N -0.25 1.24 -1.39 4.28 1.35 -1.94 -0.64 112.91 115.56 2d89 h THR 35 Ca 0.00 -1.96 0.40 0.00 -0.55 0.00 0.00 66.41 64.30 2d89 h THR 35 Cb 0.25 2.37 -0.06 0.00 -1.73 0.00 0.00 68.15 68.99 2d89 h THR 35 CO 0.00 0.42 1.22 -0.24 -0.25 0.00 0.00 175.52 176.67 2d89 n SER 36 N -4.64 0.00 -0.00 5.36 2.88 -1.21 0.23 113.62 116.24 2d89 n SER 36 Ca -0.09 0.80 0.05 0.00 -1.33 0.00 0.00 58.87 58.31 2d89 n SER 36 Cb 0.36 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.40 2d89 n SER 36 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 2d89 n TRP 37 N -3.42 0.00 -0.28 0.66 7.02 -1.25 -4.05 117.44 116.13 2d89 n TRP 37 Ca 0.31 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.86 2d89 n TRP 37 Cb 1.64 -0.22 0.14 0.00 -2.42 0.00 0.00 31.31 30.45 2d89 n TRP 37 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 2d89 n ARG 38 N -1.82 -0.07 -0.01 -0.99 0.63 0.64 0.10 116.66 115.14 2d89 n ARG 38 Ca -0.02 1.21 -0.17 0.00 -0.92 0.00 0.00 57.85 57.96 2d89 n ARG 38 Cb 0.25 -1.84 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 2d89 n ARG 38 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 2d89 h ASN 39 N 0.00 0.66 0.00 6.15 7.08 -1.82 -3.46 115.58 124.20 2d89 h ASN 39 Ca 0.40 -0.68 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 2d89 h ASN 39 Cb 0.68 -0.20 0.00 0.00 -2.08 0.00 0.00 38.32 36.72 2d89 h ASN 39 CO -0.79 1.25 0.00 0.61 -2.08 0.00 0.00 177.43 176.41 2d89 n GLY 40 N 0.84 1.66 0.01 9.14 0.00 0.29 -3.53 105.19 113.59 2d89 n GLY 40 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 2d89 n GLY 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d89 h LEU 41 N 0.00 0.00 -1.21 0.99 3.38 -1.77 -3.17 115.31 113.54 2d89 h LEU 41 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2d89 h LEU 41 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2d89 h LEU 41 CO 0.00 0.08 0.68 0.28 0.09 0.00 0.00 178.44 179.58 2d89 h SER 42 N -0.14 0.00 0.11 -0.43 0.02 -1.92 0.75 113.55 111.94 2d89 h SER 42 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2d89 h SER 42 Cb 0.02 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.59 2d89 h SER 42 CO 0.00 0.00 -1.09 -0.26 -1.14 0.00 0.00 176.83 174.34 2d89 h PHE 43 N 0.00 0.89 0.03 3.45 0.04 -1.90 -2.86 116.94 116.60 2d89 h PHE 43 Ca 0.09 -0.56 -0.23 0.00 2.80 0.00 0.00 57.97 60.07 2d89 h PHE 43 Cb 1.46 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.51 2d89 h PHE 43 CO 0.00 1.41 -1.09 0.00 -0.60 0.00 0.00 178.31 178.03 2d89 h ALA 45 N 0.91 0.48 0.91 0.00 0.00 -0.80 -1.60 119.26 119.16 2d89 h ALA 45 Ca -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2d89 h ALA 45 Cb 1.82 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2d89 h ALA 45 CO 0.14 0.25 -0.49 0.82 0.00 0.00 0.00 179.25 179.97 2d89 h ILE 46 N 0.44 0.00 -0.44 0.00 2.04 -1.60 -0.15 117.51 117.79 2d89 h ILE 46 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 2d89 h ILE 46 Cb 0.47 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2d89 h ILE 46 CO 0.02 0.00 0.31 0.25 0.00 0.00 0.00 178.15 178.73 2d89 h LEU 47 N -1.29 0.07 -0.31 1.44 5.85 -1.61 -1.05 115.31 118.41 2d89 h LEU 47 Ca -0.12 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 2d89 h LEU 47 Cb 1.01 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2d89 h LEU 47 CO 0.17 0.04 -0.30 -0.74 -0.34 0.00 0.00 178.44 177.28 2d89 h HIS 48 N 0.08 0.89 -1.03 1.25 2.76 -0.85 -1.85 115.15 116.40 2d89 h HIS 48 Ca 0.21 -0.27 0.28 0.00 -2.20 0.00 0.00 60.37 58.40 2d89 h HIS 48 Cb 0.73 -0.19 -0.13 0.00 1.55 0.00 0.00 27.41 29.38 2d89 h HIS 48 CO -0.00 1.02 0.62 1.25 -1.30 0.00 0.00 177.93 179.52 2d89 h HIS 49 N 0.50 0.89 0.00 5.26 -0.00 0.35 -1.69 115.15 120.46 2d89 h HIS 49 Ca 0.05 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.38 2d89 h HIS 49 Cb 0.87 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 2d89 h HIS 49 CO 0.07 -0.02 -0.39 0.74 -0.00 0.00 0.00 177.93 178.34 2d89 h PHE 50 N 0.44 0.00 -3.09 5.26 0.04 -1.55 -3.44 116.94 114.60 2d89 h PHE 50 Ca 0.67 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.89 2d89 h PHE 50 Cb 1.49 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 39.24 2d89 h PHE 50 CO -0.01 1.13 -0.76 0.50 -0.60 0.00 0.00 178.31 178.57 2d89 s ARG 51 N -2.26 0.55 0.00 1.51 6.06 -0.69 -4.98 118.95 119.15 2d89 s ARG 51 Ca -0.22 -0.75 0.12 0.00 -2.50 0.00 0.00 55.73 52.38 2d89 s ARG 51 Cb -0.00 -1.81 0.71 0.00 0.06 0.00 0.00 34.95 33.91 2d89 s ARG 51 CO 0.65 -0.90 1.14 -0.35 -2.50 0.00 0.00 175.30 173.34 2d89 n PRO 52 N 5.01 0.49 -0.09 5.12 -0.04 -0.88 -2.46 135.00 142.15 2d89 n PRO 52 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 2d89 n PRO 52 Cb 0.43 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 2d89 n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2d89 n ASP 53 N -0.88 1.79 -0.30 3.54 8.00 -1.26 -4.47 116.55 122.97 2d89 n ASP 53 Ca 0.09 -0.05 0.25 0.00 0.71 0.00 0.00 54.79 55.79 2d89 n ASP 53 Cb 0.04 0.33 0.57 0.00 -0.02 0.00 0.00 41.12 42.04 2d89 n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d89 h LEU 54 N 0.00 0.33 -9.53 0.64 3.38 -1.82 -3.42 115.31 104.88 2d89 h LEU 54 Ca -0.43 0.06 -0.58 0.00 0.09 0.00 0.00 57.88 57.02 2d89 h LEU 54 Cb 1.82 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.45 2d89 h LEU 54 CO -0.02 0.07 -0.52 -0.63 0.09 0.00 0.00 178.44 177.44 2d89 s ILE 55 N -5.34 0.70 -0.29 1.22 1.09 -1.26 -4.89 121.20 112.43 2d89 s ILE 55 Ca -0.08 -2.00 0.10 0.00 -1.10 0.00 0.00 60.65 57.57 2d89 s ILE 55 Cb 0.24 -2.33 0.54 0.00 -1.06 0.00 0.00 42.46 39.85 2d89 s ILE 55 CO 0.79 0.00 1.52 0.47 -0.10 0.00 0.00 174.94 177.63 2d89 n ASP 56 N -1.29 2.96 0.20 3.58 8.00 -1.26 -4.68 116.55 124.06 2d89 n ASP 56 Ca -0.08 -3.60 0.17 0.00 0.71 0.00 0.00 54.79 52.00 2d89 n ASP 56 Cb 0.65 -0.65 0.73 0.00 -0.02 0.00 0.00 41.12 41.83 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2d89 h TYR 57 N 1.20 0.00 0.00 1.24 5.03 -1.88 0.31 116.97 122.88 2d89 h TYR 57 Ca 0.23 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 2d89 h TYR 57 Cb 1.79 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 40.06 2d89 h TYR 57 CO 1.01 0.00 -0.05 1.57 -1.32 0.00 0.00 178.16 179.36 2d89 h LYS 58 N 0.00 0.00 -0.06 1.82 2.10 -1.87 -2.76 116.57 115.79 2d89 h LYS 58 Ca 0.11 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.65 2d89 h LYS 58 Cb 1.03 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.16 2d89 h LYS 58 CO -0.00 0.05 -0.75 0.45 -2.00 0.00 0.00 179.45 177.20 2d89 n SER 59 N -4.30 1.62 -3.28 7.07 2.88 0.11 -5.07 113.62 112.64 2d89 n SER 59 Ca -0.03 -3.09 -0.12 0.00 -1.33 0.00 0.00 58.87 54.31 2d89 n SER 59 Cb 0.14 -0.43 0.06 0.00 -0.75 0.00 0.00 64.21 63.23 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2d89 n LEU 60 N -0.45 0.00 -3.58 2.46 4.77 -0.93 -5.09 117.00 114.18 2d89 n LEU 60 Ca 0.15 -1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.02 2d89 n LEU 60 Cb 0.89 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2d89 n LEU 60 CO -0.01 -0.75 0.94 0.20 -1.33 0.00 0.00 177.39 176.45 2d89 s ASN 61 N -3.05 -0.18 0.00 -1.43 0.02 -1.26 -5.00 114.94 104.04 2d89 s ASN 61 Ca 0.33 0.00 0.10 0.00 -1.02 0.00 0.00 52.86 52.28 2d89 s ASN 61 Cb -0.02 0.19 0.62 0.00 0.02 0.00 0.00 41.25 42.06 2d89 s ASN 61 CO 0.22 -0.31 1.05 -0.81 0.02 0.00 0.00 177.10 177.28 2d89 n PRO 62 N -0.11 0.48 0.07 -0.60 -0.04 -1.26 -2.57 135.00 130.97 2d89 n PRO 62 Ca -0.01 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2d89 n PRO 62 Cb 0.59 -1.33 0.48 0.00 -0.04 0.00 0.00 33.50 33.19 2d89 n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d89 n GLN 63 N -0.83 0.17 -3.82 0.54 -0.00 -1.26 -4.64 117.38 107.54 2d89 n GLN 63 Ca 0.08 0.15 -0.36 0.00 -0.00 0.00 0.00 57.00 56.86 2d89 n GLN 63 Cb 0.04 -1.70 -0.13 0.00 -0.00 0.00 0.00 30.24 28.44 2d89 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2d89 s ASP 64 N -4.01 4.92 -0.26 2.61 1.01 -1.06 -4.96 116.67 114.92 2d89 s ASP 64 Ca 0.12 -0.80 -0.11 0.00 0.71 0.00 0.00 52.55 52.47 2d89 s ASP 64 Cb 0.14 -1.82 -0.15 0.00 1.01 0.00 0.00 42.92 42.11 2d89 s ASP 64 CO 0.57 -0.19 -0.23 -0.38 0.21 0.00 0.00 175.17 175.15 2d89 n ILE 65 N 4.80 1.53 -0.00 0.77 5.41 -1.26 -3.95 119.36 126.66 2d89 n ILE 65 Ca -0.15 -0.41 -0.12 0.00 1.00 0.00 0.00 62.75 63.08 2d89 n ILE 65 Cb 0.47 -1.78 -0.09 0.00 -0.71 0.00 0.00 39.64 37.53 2d89 n ILE 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2d89 h LYS 66 N -0.71 -0.09 0.17 0.38 3.64 -1.77 -3.22 116.57 114.97 2d89 h LYS 66 Ca -0.63 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2d89 h LYS 66 Cb 1.67 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2d89 h LYS 66 CO -0.30 0.49 -0.13 1.49 -2.27 0.00 0.00 179.45 178.73 2d89 h GLU 67 N -0.81 -0.28 -0.71 1.90 4.57 -1.88 -0.18 114.58 117.20 2d89 h GLU 67 Ca -0.01 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.39 2d89 h GLU 67 Cb 0.62 0.06 -0.13 0.00 -0.16 0.00 0.00 28.75 29.14 2d89 h GLU 67 CO 0.02 -0.19 0.03 0.09 -1.18 0.00 0.00 179.01 177.78 2d89 n ASN 68 N -3.07 -0.07 -0.09 1.04 4.13 -1.25 0.22 115.26 116.16 2d89 n ASN 68 Ca -0.03 1.20 -0.12 0.00 1.68 0.00 0.00 54.58 57.30 2d89 n ASN 68 Cb 0.13 -0.44 -0.04 0.00 -1.54 0.00 0.00 39.78 37.88 2d89 n ASN 68 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2d89 h ASN 69 N 0.00 0.54 -0.50 6.41 2.35 -1.50 -3.01 115.58 119.88 2d89 h ASN 69 Ca 0.43 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2d89 h ASN 69 Cb 0.91 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 2d89 h ASN 69 CO -0.66 0.81 0.27 0.50 -1.65 0.00 0.00 177.43 176.71 2d89 h LYS 70 N 0.27 0.72 0.15 0.81 3.64 0.45 -2.79 116.57 119.82 2d89 h LYS 70 Ca 0.06 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2d89 h LYS 70 Cb 0.60 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2d89 h LYS 70 CO 0.03 0.54 -0.12 0.87 -2.27 0.00 0.00 179.45 178.51 2d89 h LYS 71 N 0.73 -0.27 0.00 1.90 1.57 -0.31 -2.23 116.57 117.96 2d89 h LYS 71 Ca 0.19 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2d89 h LYS 71 Cb 0.04 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2d89 h LYS 71 CO -0.03 -0.18 0.00 0.00 -0.57 0.00 0.00 179.45 178.67 2d89 n ALA 72 N -2.29 -0.23 -0.27 3.86 0.00 -1.07 -2.25 120.51 118.25 2d89 n ALA 72 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 2d89 n ALA 72 Cb 0.16 0.09 0.07 0.00 0.00 0.00 0.00 19.45 19.77 2d89 n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d89 n TYR 73 N -1.58 0.17 -0.24 0.00 4.01 -1.10 0.20 117.16 118.61 2d89 n TYR 73 Ca 0.00 0.88 0.05 0.00 -0.16 0.00 0.00 57.90 58.67 2d89 n TYR 73 Cb 0.00 -0.86 0.16 0.00 -0.31 0.00 0.00 39.34 38.33 2d89 n TYR 73 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2d89 h ASP 74 N 0.00 -0.08 0.01 7.72 3.58 -1.27 0.28 116.42 126.66 2d89 h ASP 74 Ca 0.31 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.91 2d89 h ASP 74 Cb 0.49 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2d89 h ASP 74 CO -0.73 -0.07 -0.00 1.23 -2.88 0.00 0.00 179.24 176.78 2d89 h GLY 75 N 0.22 -0.01 -0.00 -0.78 0.00 0.26 -3.07 103.07 99.69 2d89 h GLY 75 Ca 0.40 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.78 2d89 h GLY 75 CO -0.53 -0.00 -0.41 0.74 0.00 0.00 0.00 176.54 176.34 2d89 h PHE 76 N -0.99 -1.17 0.00 5.60 0.04 -0.11 0.42 116.94 120.73 2d89 h PHE 76 Ca -0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2d89 h PHE 76 Cb 0.68 0.54 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2d89 h PHE 76 CO 0.19 -0.46 0.00 0.00 -0.60 0.00 0.00 178.31 177.43 2d89 n ALA 77 N -2.94 1.24 -0.09 2.45 0.00 0.97 -1.99 120.51 120.16 2d89 n ALA 77 Ca -0.04 0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2d89 n ALA 77 Cb 0.36 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.67 2d89 n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d89 h SER 78 N 0.00 0.83 1.40 0.00 0.87 -0.06 -3.02 113.55 113.57 2d89 h SER 78 Ca 0.00 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.13 2d89 h SER 78 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2d89 h SER 78 CO 0.00 1.07 -0.62 0.16 -0.53 0.00 0.00 176.83 176.91 2d89 h ILE 79 N 0.67 0.59 0.00 2.23 3.07 -1.30 -3.47 117.51 119.31 2d89 h ILE 79 Ca 0.07 -1.89 0.00 0.00 1.55 0.00 0.00 64.86 64.59 2d89 h ILE 79 Cb 0.85 2.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 2d89 h ILE 79 CO 0.07 0.34 0.00 0.61 -1.05 0.00 0.00 178.15 178.12 2d89 n GLY 80 N 1.23 0.60 3.23 0.16 0.00 -1.14 -5.11 105.19 104.16 2d89 n GLY 80 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2d89 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d89 s ILE 81 N -0.62 4.55 -0.19 -0.61 1.01 -1.05 -4.96 121.20 119.33 2d89 s ILE 81 Ca 0.00 -1.98 -0.38 0.00 0.00 0.00 0.00 60.65 58.30 2d89 s ILE 81 Cb 0.00 -3.94 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 2d89 s ILE 81 CO 0.00 -0.84 1.78 -1.20 0.00 0.00 0.00 174.94 174.68 2d89 n SER 82 N 4.66 2.79 -4.69 3.58 7.64 -1.26 -3.07 113.62 123.28 2d89 n SER 82 Ca -0.04 1.04 -0.42 0.00 1.01 0.00 0.00 58.87 60.45 2d89 n SER 82 Cb 0.41 -1.24 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2d89 n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d89 s ARG 83 N 3.61 4.41 -0.16 1.43 1.70 -1.26 -4.93 118.95 123.75 2d89 s ARG 83 Ca 0.95 1.47 -0.11 0.00 -0.47 0.00 0.00 55.73 57.57 2d89 s ARG 83 Cb -0.92 -3.54 -0.07 0.00 -0.57 0.00 0.00 34.95 29.86 2d89 s ARG 83 CO 0.59 -0.34 -0.26 1.28 -1.08 0.00 0.00 175.30 175.50 2d89 n LEU 84 N 5.00 1.54 -4.80 -1.89 4.77 -1.26 -5.02 117.00 115.34 2d89 n LEU 84 Ca 0.09 0.26 -0.32 0.00 -0.03 0.00 0.00 56.01 56.01 2d89 n LEU 84 Cb 0.48 -0.61 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2d89 n LEU 84 CO 0.53 0.09 0.72 -0.22 -1.33 0.00 0.00 177.39 177.18 2d89 s LEU 85 N -7.32 3.39 0.00 2.23 2.96 -1.26 -5.06 118.68 113.61 2d89 s LEU 85 Ca -0.25 1.79 0.05 0.00 -0.22 0.00 0.00 54.13 55.49 2d89 s LEU 85 Cb 0.08 -4.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.21 2d89 s LEU 85 CO 0.34 -1.30 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.31 2d89 s GLU 86 N -4.33 2.31 0.07 1.98 2.02 -1.26 -5.04 118.70 114.45 2d89 s GLU 86 Ca 0.62 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.61 2d89 s GLU 86 Cb -0.16 -2.31 -0.11 0.00 0.10 0.00 0.00 34.13 31.65 2d89 s GLU 86 CO 0.42 0.58 1.39 -1.00 0.02 0.00 0.00 175.26 176.67 2d89 h PRO 87 N 4.84 0.53 -0.53 0.39 0.13 -1.88 -3.22 132.00 132.27 2d89 h PRO 87 Ca -0.47 -0.28 -0.07 0.00 -0.87 0.00 0.00 66.00 64.31 2d89 h PRO 87 Cb 1.16 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2d89 h PRO 87 CO 0.50 0.86 0.08 0.77 -0.23 0.00 0.00 178.00 179.97 2d89 h SER 88 N 0.22 0.85 -0.81 1.44 0.02 -1.90 -2.96 113.55 110.41 2d89 h SER 88 Ca 0.04 -0.27 0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2d89 h SER 88 Cb 0.76 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 62.96 2d89 h SER 88 CO 0.05 0.90 0.27 0.44 -1.14 0.00 0.00 176.83 177.36 2d89 h ASP 89 N 0.77 0.15 -0.90 3.07 5.19 -1.99 0.18 116.42 122.89 2d89 h ASP 89 Ca 0.16 0.15 0.15 0.00 -0.62 0.00 0.00 57.03 56.87 2d89 h ASP 89 Cb 0.42 0.17 -0.10 0.00 0.18 0.00 0.00 39.33 40.00 2d89 h ASP 89 CO 0.01 -0.02 0.50 0.24 -3.12 0.00 0.00 179.24 176.85 2d89 h MET 90 N 0.33 0.68 0.01 3.56 2.86 -1.53 -2.20 114.93 118.64 2d89 h MET 90 Ca 0.48 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2d89 h MET 90 Cb 0.85 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2d89 h MET 90 CO -0.52 0.45 -0.00 0.28 1.06 0.00 0.00 176.91 178.18 2d89 h VAL 91 N 0.70 1.45 -0.21 -2.22 2.07 -0.78 -3.35 116.25 113.91 2d89 h VAL 91 Ca 0.49 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2d89 h VAL 91 Cb 0.68 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 2d89 h VAL 91 CO -0.35 0.35 -0.16 -0.07 0.02 0.00 0.00 177.57 177.36 2d89 h LEU 92 N -0.60 -0.56 0.00 2.57 3.38 -0.62 -3.42 115.31 116.06 2d89 h LEU 92 Ca -0.00 0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2d89 h LEU 92 Cb 0.59 0.24 0.09 0.00 0.09 0.00 0.00 40.66 41.67 2d89 h LEU 92 CO 0.00 -0.08 0.19 0.00 0.09 0.00 0.00 178.44 178.64 2d89 n LEU 93 N -3.55 0.00 -0.01 1.67 -0.00 -0.95 -5.07 117.00 109.09 2d89 n LEU 93 Ca -0.00 -1.03 -0.01 0.00 -0.00 0.00 0.00 56.01 54.97 2d89 n LEU 93 Cb 0.08 -0.54 -0.00 0.00 -0.00 0.00 0.00 43.42 42.95 2d89 n LEU 93 CO -0.03 -0.98 -0.09 0.00 -0.00 0.00 0.00 177.39 176.30 2d89 n ALA 94 N -3.32 0.11 -3.00 1.47 0.00 -1.26 -4.85 120.51 109.66 2d89 n ALA 94 Ca -0.12 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 2d89 n ALA 94 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 2d89 n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d89 s ILE 95 N -1.28 3.57 1.24 0.00 -1.09 -1.26 -4.96 121.20 117.41 2d89 s ILE 95 Ca -0.04 -0.48 -0.20 0.00 -2.23 0.00 0.00 60.65 57.70 2d89 s ILE 95 Cb 0.01 -2.54 0.30 0.00 -1.58 0.00 0.00 42.46 38.65 2d89 s ILE 95 CO 0.05 0.51 1.11 -2.16 -1.23 0.00 0.00 174.94 173.22 2d89 s PRO 96 N 0.35 -1.50 -0.54 2.79 0.04 -1.26 -4.98 135.00 129.91 2d89 s PRO 96 Ca -0.07 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 60.62 2d89 s PRO 96 Cb -0.15 -1.57 0.08 0.00 0.04 0.00 0.00 34.50 32.89 2d89 s PRO 96 CO 0.04 -3.87 0.65 -0.51 0.04 0.00 0.00 177.00 173.35 2d89 s ASP 97 N -3.97 6.21 0.31 6.66 1.11 -1.26 -4.92 116.67 120.80 2d89 s ASP 97 Ca 0.72 -1.11 0.04 0.00 0.18 0.00 0.00 52.55 52.38 2d89 s ASP 97 Cb -0.08 -2.29 0.82 0.00 1.07 0.00 0.00 42.92 42.43 2d89 s ASP 97 CO 0.56 -0.97 1.60 0.50 1.18 0.00 0.00 175.17 178.04 2d89 h LYS 98 N 9.06 0.08 -0.11 8.23 3.64 -1.94 0.24 116.57 135.77 2d89 h LYS 98 Ca -0.28 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2d89 h LYS 98 Cb 1.09 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 2d89 h LYS 98 CO 1.01 0.05 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.96 2d89 h LEU 99 N 0.08 -0.64 0.19 5.20 3.38 -1.92 -0.80 115.31 120.79 2d89 h LEU 99 Ca 0.61 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 2d89 h LEU 99 Cb 1.32 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2d89 h LEU 99 CO -0.80 -0.26 -0.11 0.74 0.09 0.00 0.00 178.44 178.10 2d89 h THR 100 N -0.28 0.00 -0.81 0.22 2.02 -0.96 -2.15 112.91 110.96 2d89 h THR 100 Ca 0.09 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.35 2d89 h THR 100 Cb 0.41 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 2d89 h THR 100 CO -0.27 0.00 -0.48 0.52 0.37 0.00 0.00 175.52 175.66 2d89 n VAL 101 N -2.84 -0.55 -0.30 3.16 0.31 -0.71 0.47 118.33 117.87 2d89 n VAL 101 Ca -0.03 2.19 0.13 0.00 -0.01 0.00 0.00 64.34 66.62 2d89 n VAL 101 Cb 0.11 -2.73 0.29 0.00 -0.91 0.00 0.00 33.84 30.60 2d89 n VAL 101 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2d89 h MET 102 N 0.00 0.20 -0.78 5.55 2.07 -1.17 0.40 114.93 121.20 2d89 h MET 102 Ca 0.13 -0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.80 2d89 h MET 102 Cb 0.33 -0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 29.96 2d89 h MET 102 CO -0.76 0.13 0.47 1.15 1.07 0.00 0.00 176.91 178.97 2d89 h THR 103 N 0.20 1.03 -0.00 2.22 2.02 0.72 -1.82 112.91 117.28 2d89 h THR 103 Ca 0.56 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.44 2d89 h THR 103 Cb 1.12 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2d89 h THR 103 CO -0.66 0.16 -0.00 0.22 0.37 0.00 0.00 175.52 175.61 2d89 h TYR 104 N 0.87 0.01 -0.27 3.16 3.20 0.56 -3.27 116.97 121.23 2d89 h TYR 104 Ca 0.34 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.26 2d89 h TYR 104 Cb 0.14 -0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 2d89 h TYR 104 CO -0.05 0.41 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.44 2d89 h LEU 105 N -0.40 -1.22 -0.99 2.82 3.38 -0.78 -0.43 115.31 117.69 2d89 h LEU 105 Ca 0.00 0.18 0.34 0.00 0.09 0.00 0.00 57.88 58.50 2d89 h LEU 105 Cb 0.41 0.53 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 2d89 h LEU 105 CO 0.00 -0.37 0.30 1.88 0.09 0.00 0.00 178.44 180.34 2d89 h TYR 106 N -0.37 0.42 0.26 1.13 0.05 -1.39 0.23 116.97 117.30 2d89 h TYR 106 Ca 0.12 0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.96 2d89 h TYR 106 Cb 0.58 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 2d89 h TYR 106 CO -0.52 -0.43 -0.37 1.96 -1.05 0.00 0.00 178.16 177.75 2d89 h GLN 107 N 0.03 -0.67 0.13 4.88 1.08 -1.12 -0.24 115.11 119.20 2d89 h GLN 107 Ca 0.72 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.98 2d89 h GLN 107 Cb 1.72 0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 29.25 2d89 h GLN 107 CO -0.83 -0.44 -0.44 0.82 -0.95 0.00 0.00 178.83 176.99 2d89 h ILE 108 N -0.69 0.13 -1.01 2.54 5.03 -0.50 0.11 117.51 123.12 2d89 h ILE 108 Ca -0.00 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.95 2d89 h ILE 108 Cb 0.66 0.13 -0.11 0.00 -3.03 0.00 0.00 36.82 34.47 2d89 h ILE 108 CO -0.13 0.00 0.61 -0.09 -0.68 0.00 0.00 178.15 177.86 2d89 h ARG 109 N -0.68 0.64 -0.26 2.37 2.43 -1.25 -0.13 114.38 117.50 2d89 h ARG 109 Ca 0.02 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2d89 h ARG 109 Cb 0.70 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2d89 h ARG 109 CO -0.25 0.43 -0.07 0.00 -1.51 0.00 0.00 179.97 178.57 2d89 h ALA 110 N 1.68 0.35 -0.69 2.80 0.00 0.04 0.56 119.26 124.00 2d89 h ALA 110 Ca 0.61 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.39 2d89 h ALA 110 Cb 1.08 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 2d89 h ALA 110 CO -0.42 0.16 -0.06 1.25 0.00 0.00 0.00 179.25 180.19 2d89 h HIS 111 N 0.24 -0.15 0.00 0.00 -0.00 0.11 -3.18 115.15 112.17 2d89 h HIS 111 Ca 0.06 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 2d89 h HIS 111 Cb 0.54 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 2d89 h HIS 111 CO 0.05 -0.24 -0.31 0.74 -0.00 0.00 0.00 177.93 178.17 2d89 h PHE 112 N 0.07 0.00 -3.36 5.26 -1.00 -1.45 -3.48 116.94 112.98 2d89 h PHE 112 Ca 0.36 0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.73 2d89 h PHE 112 Cb 0.60 0.00 0.20 0.00 3.61 0.00 0.00 35.95 40.36 2d89 h PHE 112 CO -0.45 0.00 0.04 0.45 -1.61 0.00 0.00 178.31 176.74 2d89 s SER 113 N -5.55 0.53 -0.11 2.17 0.15 0.20 -5.03 113.70 106.05 2d89 s SER 113 Ca -0.09 0.94 -0.01 0.00 0.70 0.00 0.00 55.95 57.49 2d89 s SER 113 Cb 0.01 -1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 2d89 s SER 113 CO 0.13 -4.40 -0.08 -0.44 1.20 0.00 0.00 173.24 169.66 2d89 s SER 114 N -3.34 4.50 0.00 5.45 0.01 -1.26 -4.59 113.70 114.47 2d89 s SER 114 Ca 0.69 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2d89 s SER 114 Cb -0.15 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2d89 s SER 114 CO 0.59 0.25 0.00 0.61 0.41 0.00 0.00 173.24 175.10 2d89 n GLY 115 N 2.96 5.59 3.77 3.44 0.00 -1.26 -4.97 105.19 114.72 2d89 n GLY 115 Ca -0.18 -1.95 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 2d89 n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d89 s PRO 116 N -0.52 4.25 -0.01 1.61 0.04 -1.26 -5.05 135.00 134.06 2d89 s PRO 116 Ca 0.00 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2d89 s PRO 116 Cb 0.00 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2d89 s PRO 116 CO 0.00 -0.19 -0.11 -1.54 0.04 0.00 0.00 177.00 175.20 2d89 s SER 117 N -0.85 1.33 -0.24 6.66 1.04 -1.26 -5.09 113.70 115.29 2d89 s SER 117 Ca 0.52 -0.21 -0.36 0.00 0.48 0.00 0.00 55.95 56.38 2d89 s SER 117 Cb -0.34 -0.20 -0.12 0.00 0.10 0.00 0.00 66.02 65.46 2d89 s SER 117 CO 0.44 0.13 1.97 -1.20 0.98 0.00 0.00 173.24 175.56 2d89 n SER 118 N 2.91 2.68 -0.31 7.02 7.64 -1.26 -5.35 113.62 126.94 2d89 n SER 118 Ca -0.15 0.76 0.04 0.00 1.01 0.00 0.00 58.87 60.53 2d89 n SER 118 Cb 0.56 -1.28 0.03 0.00 -1.01 0.00 0.00 64.21 62.51 2d89 n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64