#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 -0.32 -1.32 1.61 0.15 -1.26 -4.98 113.70 107.58 2d89 s SER 2 Ca 0.00 0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 2d89 s SER 2 Cb 0.00 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.63 2d89 s SER 2 CO 0.00 -0.06 1.09 -0.24 1.20 0.00 0.00 173.24 175.23 2d89 n SER 3 N 5.21 -4.61 0.00 5.45 2.88 -1.26 -5.00 113.62 116.30 2d89 n SER 3 Ca -0.08 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2d89 n SER 3 Cb 0.54 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 2d89 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d89 n GLY 4 N -1.69 3.80 2.94 0.46 0.00 -1.26 -5.16 105.19 104.29 2d89 n GLY 4 Ca -0.10 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 2d89 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d89 s SER 5 N 0.17 0.36 -0.08 1.61 0.01 -1.26 -5.14 113.70 109.38 2d89 s SER 5 Ca 0.00 -0.17 -0.22 0.00 1.31 0.00 0.00 55.95 56.87 2d89 s SER 5 Cb 0.00 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2d89 s SER 5 CO 0.00 -0.05 0.64 -0.55 0.41 0.00 0.00 173.24 173.69 2d89 s SER 6 N -0.45 6.91 0.17 2.44 0.15 -1.26 -4.88 113.70 116.78 2d89 s SER 6 Ca -0.03 1.09 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2d89 s SER 6 Cb -0.03 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2d89 s SER 6 CO -0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2d89 n GLY 7 N 3.10 -3.32 0.00 9.45 0.00 -1.26 -4.54 105.19 108.62 2d89 n GLY 7 Ca -0.03 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.46 0.49 -0.98 1.61 -0.04 -1.26 -4.23 135.00 129.13 2d89 n PRO 8 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2d89 n PRO 8 Cb 0.08 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 2d89 n PRO 8 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2d89 n ASN 9 N -0.85 6.15 -3.27 3.54 4.13 -1.26 -4.63 115.26 119.07 2d89 n ASN 9 Ca 0.08 -2.41 0.03 0.00 1.68 0.00 0.00 54.58 53.97 2d89 n ASN 9 Cb 0.04 -1.29 -0.04 0.00 -1.54 0.00 0.00 39.78 36.95 2d89 n ASN 9 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2d89 s ALA 10 N 2.24 -3.09 0.22 5.41 0.00 -1.26 -5.03 121.76 120.24 2d89 s ALA 10 Ca 0.56 1.83 -0.01 0.00 0.00 0.00 0.00 51.96 54.34 2d89 s ALA 10 Cb 0.19 -2.23 0.48 0.00 0.00 0.00 0.00 23.12 21.55 2d89 s ALA 10 CO -0.03 -1.04 1.13 0.45 0.00 0.00 0.00 175.76 176.27 2d89 n SER 11 N 4.87 -0.15 -0.22 0.00 2.88 -1.26 0.12 113.62 119.86 2d89 n SER 11 Ca -0.08 1.24 -0.02 0.00 -1.33 0.00 0.00 58.87 58.68 2d89 n SER 11 Cb 0.54 -0.42 0.05 0.00 -0.75 0.00 0.00 64.21 63.63 2d89 n SER 11 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2d89 h GLN 12 N 0.00 -0.06 -0.99 -1.46 5.75 -1.96 0.62 115.11 117.01 2d89 h GLN 12 Ca 0.41 0.00 0.23 0.00 -0.15 0.00 0.00 58.65 59.14 2d89 h GLN 12 Cb 0.77 0.01 -0.19 0.00 1.07 0.00 0.00 27.48 29.15 2d89 h GLN 12 CO -0.70 -0.04 -0.14 0.66 -2.65 0.00 0.00 178.83 175.95 2d89 h SER 13 N -0.07 -0.75 0.09 -0.69 4.64 0.65 0.30 113.55 117.72 2d89 h SER 13 Ca 0.29 0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2d89 h SER 13 Cb 0.53 0.57 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2d89 h SER 13 CO -0.70 -0.34 -0.04 0.25 -0.87 0.00 0.00 176.83 175.13 2d89 h LEU 14 N 0.00 -0.10 -1.22 5.97 5.85 -1.04 -2.91 115.31 121.85 2d89 h LEU 14 Ca 0.53 0.00 0.42 0.00 0.84 0.00 0.00 57.88 59.67 2d89 h LEU 14 Cb 0.94 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 2d89 h LEU 14 CO -0.99 0.21 0.79 -0.11 -0.34 0.00 0.00 178.44 178.01 2d89 n LEU 15 N -3.88 0.17 0.05 2.25 7.94 -0.02 0.63 117.00 124.14 2d89 n LEU 15 Ca -0.01 1.19 -0.11 0.00 -1.11 0.00 0.00 56.01 55.97 2d89 n LEU 15 Cb 0.05 -0.58 -0.08 0.00 0.53 0.00 0.00 43.42 43.33 2d89 n LEU 15 CO 0.03 -1.29 0.39 0.58 -1.11 0.00 0.00 177.39 176.00 2d89 h VAL 16 N 0.00 0.84 -0.76 1.96 2.07 -0.51 -2.92 116.25 116.93 2d89 h VAL 16 Ca 0.77 -1.14 0.13 0.00 0.82 0.00 0.00 66.70 67.27 2d89 h VAL 16 Cb 2.51 1.42 -0.13 0.00 -1.52 0.00 0.00 31.29 33.57 2d89 h VAL 16 CO -0.39 0.22 -0.27 1.87 0.02 0.00 0.00 177.57 179.03 2d89 n TRP 17 N -4.92 0.09 0.25 1.57 -0.00 0.21 0.10 117.44 114.74 2d89 n TRP 17 Ca -0.08 0.93 -0.10 0.00 -0.00 0.00 0.00 57.50 58.26 2d89 n TRP 17 Cb 0.26 -0.83 -0.05 0.00 -0.00 0.00 0.00 31.31 30.70 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 -0.80 0.00 0.12 0.00 1.57 -0.89 0.22 116.57 116.79 2d89 h LYS 19 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2d89 h LYS 19 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2d89 h LYS 19 CO 0.11 0.00 -0.06 1.49 -0.57 0.00 0.00 179.45 180.42 2d89 h GLU 20 N 0.00 -0.16 0.00 3.15 4.81 0.93 -2.78 114.58 120.54 2d89 h GLU 20 Ca 0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2d89 h GLU 20 Cb 1.24 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2d89 h GLU 20 CO -0.00 -0.11 0.00 -0.39 -0.73 0.00 0.00 179.01 177.78 2d89 h VAL 21 N -0.81 0.00 -0.62 0.32 -1.51 -0.64 -1.70 116.25 111.29 2d89 h VAL 21 Ca -0.02 -0.22 -0.25 0.00 -1.23 0.00 0.00 66.70 64.98 2d89 h VAL 21 Cb 0.13 1.22 -0.15 0.00 -2.13 0.00 0.00 31.29 30.36 2d89 h VAL 21 CO 0.03 0.00 0.22 0.35 -1.23 0.00 0.00 177.57 176.94 2d89 n THR 22 N -3.08 2.80 -0.06 7.19 -2.24 0.66 -4.59 114.28 114.96 2d89 n THR 22 Ca -0.01 -2.11 -0.13 0.00 -2.27 0.00 0.00 64.05 59.53 2d89 n THR 22 Cb 0.17 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 2d89 n THR 22 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2d89 h LYS 23 N 1.57 0.36 -1.67 -0.78 1.57 -1.00 -3.18 116.57 113.44 2d89 h LYS 23 Ca 0.31 -0.17 -0.56 0.00 -1.87 0.00 0.00 60.65 58.36 2d89 h LYS 23 Cb 2.14 -0.00 -0.21 0.00 0.08 0.00 0.00 32.23 34.23 2d89 h LYS 23 CO 0.65 0.70 0.66 0.27 -0.57 0.00 0.00 179.45 181.16 2d89 n ASN 24 N -4.59 6.99 -4.78 0.86 0.23 -1.26 -4.93 115.26 107.78 2d89 n ASN 24 Ca -0.06 -3.45 -0.31 0.00 -0.53 0.00 0.00 54.58 50.24 2d89 n ASN 24 Cb 0.33 -1.10 -0.06 0.00 -2.08 0.00 0.00 39.78 36.87 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 2d89 s TYR 25 N -2.75 1.89 -0.19 -2.53 1.51 -1.20 -5.14 117.35 108.94 2d89 s TYR 25 Ca 0.52 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 2d89 s TYR 25 Cb 0.39 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2d89 s TYR 25 CO -0.17 0.09 -0.19 1.03 -1.11 0.00 0.00 175.55 175.20 2d89 s ARG 26 N -3.96 2.93 0.00 -0.62 0.52 -1.26 -4.67 118.95 111.89 2d89 s ARG 26 Ca 0.15 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 2d89 s ARG 26 Cb 0.01 -2.62 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2d89 s ARG 26 CO 0.09 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.57 2d89 n GLY 27 N 4.61 0.80 2.84 -3.53 0.00 -1.26 -5.06 105.19 103.59 2d89 n GLY 27 Ca -0.20 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.71 0.89 0.00 1.61 1.01 -1.26 -4.93 120.40 115.01 2d89 s VAL 28 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2d89 s VAL 28 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2d89 s VAL 28 CO 0.00 0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.45 2d89 n LYS 29 N 4.95 0.83 -3.37 2.72 5.02 -1.26 -4.94 118.16 122.10 2d89 n LYS 29 Ca -0.11 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.02 2d89 n LYS 29 Cb 0.48 -0.68 0.09 0.00 -0.02 0.00 0.00 35.03 34.89 2d89 n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2d89 n ILE 30 N -1.40 -6.00 0.21 -0.18 -0.00 -1.26 -4.82 119.36 105.90 2d89 n ILE 30 Ca 0.00 -0.54 0.07 0.00 -0.00 0.00 0.00 62.75 62.29 2d89 n ILE 30 Cb 0.18 -5.01 0.44 0.00 -0.00 0.00 0.00 39.64 35.25 2d89 n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2d89 h THR 31 N -1.79 0.84 -4.27 1.39 1.03 -1.97 -3.45 112.91 104.69 2d89 h THR 31 Ca -0.57 -1.22 -0.17 0.00 -0.01 0.00 0.00 66.41 64.44 2d89 h THR 31 Cb 1.33 1.74 -0.14 0.00 -1.07 0.00 0.00 68.15 70.01 2d89 h THR 31 CO 0.48 0.30 -0.50 0.20 -0.01 0.00 0.00 175.52 175.98 2d89 s ASN 32 N -6.43 0.15 -0.39 0.00 0.01 -1.26 -5.06 114.94 101.96 2d89 s ASN 32 Ca -0.01 -1.16 0.05 0.00 -0.71 0.00 0.00 52.86 51.04 2d89 s ASN 32 Cb 0.12 0.39 0.48 0.00 0.41 0.00 0.00 41.25 42.65 2d89 s ASN 32 CO 0.66 -0.85 1.51 0.49 -1.51 0.00 0.00 177.10 177.41 2d89 n PHE 33 N -0.21 2.26 0.00 2.20 3.72 -1.26 -4.28 117.46 119.88 2d89 n PHE 33 Ca -0.03 -2.18 0.00 0.00 -0.05 0.00 0.00 57.45 55.19 2d89 n PHE 33 Cb 0.64 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.93 0.00 0.05 4.37 -2.24 -1.26 -4.19 114.28 110.08 2d89 n THR 34 Ca 0.45 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 62.02 2d89 n THR 34 Cb 0.94 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.00 1.26 -1.32 4.28 1.35 -1.93 -1.97 112.91 114.57 2d89 h THR 35 Ca 0.00 -2.50 0.38 0.00 -0.55 0.00 0.00 66.41 63.74 2d89 h THR 35 Cb 0.00 2.97 -0.05 0.00 -1.73 0.00 0.00 68.15 69.33 2d89 h THR 35 CO 0.00 0.73 1.03 -1.28 -0.25 0.00 0.00 175.52 175.75 2d89 h SER 36 N -0.26 0.00 0.00 5.36 0.87 -1.93 0.36 113.55 117.95 2d89 h SER 36 Ca -0.23 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.13 2d89 h SER 36 Cb 1.78 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.70 2d89 h SER 36 CO 0.13 0.00 -1.97 0.79 -0.53 0.00 0.00 176.83 175.25 2d89 n TRP 37 N -3.94 0.00 -0.27 2.24 7.02 -1.25 -4.45 117.44 116.79 2d89 n TRP 37 Ca 0.29 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.80 2d89 n TRP 37 Cb 1.45 -0.65 0.09 0.00 -2.42 0.00 0.00 31.31 29.78 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 -2.43 -0.09 0.16 -0.99 0.63 0.12 0.51 116.66 114.58 2d89 n ARG 38 Ca -0.19 1.16 -0.14 0.00 -0.92 0.00 0.00 57.85 57.77 2d89 n ARG 38 Cb 0.84 -1.73 -0.08 0.00 0.45 0.00 0.00 32.46 31.93 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 -0.33 0.00 6.15 7.08 -1.80 -3.45 115.58 123.23 2d89 h ASN 39 Ca 0.34 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.45 2d89 h ASN 39 Cb 0.52 0.08 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 2d89 h ASN 39 CO -0.76 -0.09 0.00 0.61 -2.08 0.00 0.00 177.43 175.11 2d89 n GLY 40 N -0.77 0.97 0.12 9.14 0.00 0.18 -3.82 105.19 111.01 2d89 n GLY 40 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2d89 n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d89 n LEU 41 N 0.00 1.92 0.05 0.99 4.77 -1.26 -4.00 117.00 119.48 2d89 n LEU 41 Ca 0.00 0.38 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 2d89 n LEU 41 Cb 0.00 -0.85 0.48 0.00 -2.33 0.00 0.00 43.42 40.72 2d89 n LEU 41 CO 0.00 0.30 1.14 0.28 -1.33 0.00 0.00 177.39 177.79 2d89 h SER 42 N -1.00 0.35 -0.40 -1.43 0.02 -1.91 0.34 113.55 109.52 2d89 h SER 42 Ca -0.46 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2d89 h SER 42 Cb 1.37 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2d89 h SER 42 CO -0.28 0.25 0.11 -0.26 -1.14 0.00 0.00 176.83 175.51 2d89 h PHE 43 N 0.42 0.67 0.07 3.45 0.04 -1.92 -2.54 116.94 117.12 2d89 h PHE 43 Ca 0.12 -0.08 -0.25 0.00 2.80 0.00 0.00 57.97 60.57 2d89 h PHE 43 Cb -0.01 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2d89 h PHE 43 CO -0.00 0.63 -1.10 0.00 -0.60 0.00 0.00 178.31 177.25 2d89 h ALA 45 N 0.69 0.80 0.35 0.00 0.00 -0.27 -0.09 119.26 120.74 2d89 h ALA 45 Ca -0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2d89 h ALA 45 Cb 1.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2d89 h ALA 45 CO 0.18 -0.10 -0.17 0.82 0.00 0.00 0.00 179.25 179.98 2d89 h ILE 46 N 0.51 0.00 -1.22 0.00 2.04 -1.53 -1.61 117.51 115.70 2d89 h ILE 46 Ca 0.29 -0.05 0.35 0.00 1.00 0.00 0.00 64.86 66.46 2d89 h ILE 46 Cb 0.29 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 2d89 h ILE 46 CO -0.24 0.00 0.86 0.25 0.00 0.00 0.00 178.15 179.01 2d89 h LEU 47 N -0.51 0.11 -0.35 1.44 5.85 -1.57 0.50 115.31 120.78 2d89 h LEU 47 Ca -0.05 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 2d89 h LEU 47 Cb 0.36 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2d89 h LEU 47 CO 0.08 0.00 -0.33 -0.74 -0.34 0.00 0.00 178.44 177.11 2d89 h HIS 48 N 0.09 1.02 -0.57 1.25 2.76 -0.82 -0.98 115.15 117.90 2d89 h HIS 48 Ca 0.62 -0.30 0.11 0.00 -2.20 0.00 0.00 60.37 58.60 2d89 h HIS 48 Cb 2.24 -0.22 -0.11 0.00 1.55 0.00 0.00 27.41 30.87 2d89 h HIS 48 CO -0.00 1.10 -0.21 1.25 -1.30 0.00 0.00 177.93 178.77 2d89 h HIS 49 N 0.64 -0.51 -0.00 5.26 -0.00 0.10 -1.63 115.15 119.02 2d89 h HIS 49 Ca 0.06 0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 2d89 h HIS 49 Cb 0.92 0.31 0.01 0.00 -0.00 0.00 0.00 27.41 28.64 2d89 h HIS 49 CO 0.07 -0.30 -0.33 0.74 -0.00 0.00 0.00 177.93 178.10 2d89 h PHE 50 N -0.07 0.34 -2.89 5.26 -1.00 -1.55 -3.43 116.94 113.59 2d89 h PHE 50 Ca 0.26 -0.18 -0.49 0.00 2.81 0.00 0.00 57.97 60.38 2d89 h PHE 50 Cb 0.48 -0.04 -0.40 0.00 3.61 0.00 0.00 35.95 39.60 2d89 h PHE 50 CO -0.53 0.99 -0.76 0.50 -1.61 0.00 0.00 178.31 176.90 2d89 s ARG 51 N -3.14 0.13 0.07 1.51 6.06 -0.37 -5.02 118.95 118.19 2d89 s ARG 51 Ca -0.15 -0.29 -0.17 0.00 -2.50 0.00 0.00 55.73 52.62 2d89 s ARG 51 Cb 0.01 -1.46 -0.11 0.00 0.06 0.00 0.00 34.95 33.45 2d89 s ARG 51 CO 0.76 -0.84 1.39 -1.00 -2.50 0.00 0.00 175.30 173.10 2d89 h PRO 52 N 8.41 0.56 -0.96 5.12 0.13 -1.51 -3.16 132.00 140.58 2d89 h PRO 52 Ca -0.17 -0.29 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 2d89 h PRO 52 Cb 1.08 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.14 2d89 h PRO 52 CO 0.36 0.88 0.61 0.22 -0.23 0.00 0.00 178.00 179.84 2d89 h ASP 53 N 0.25 0.77 -1.03 1.44 3.58 -1.94 -0.30 116.42 119.18 2d89 h ASP 53 Ca 0.04 0.06 0.26 0.00 0.42 0.00 0.00 57.03 57.81 2d89 h ASP 53 Cb 0.78 -0.09 -0.11 0.00 1.72 0.00 0.00 39.33 41.63 2d89 h ASP 53 CO 0.06 0.36 0.65 -0.07 -2.88 0.00 0.00 179.24 177.35 2d89 h LEU 54 N 0.79 0.52 -9.82 2.28 3.38 -1.90 -3.42 115.31 107.15 2d89 h LEU 54 Ca 0.50 0.10 -0.64 0.00 0.09 0.00 0.00 57.88 57.94 2d89 h LEU 54 Cb 0.73 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 2d89 h LEU 54 CO -0.27 0.09 -0.51 -0.63 0.09 0.00 0.00 178.44 177.20 2d89 s ILE 55 N -5.58 0.95 -0.21 1.22 1.09 -0.12 -4.93 121.20 113.61 2d89 s ILE 55 Ca -0.09 -2.00 0.14 0.00 -1.10 0.00 0.00 60.65 57.59 2d89 s ILE 55 Cb 0.26 -2.23 0.44 0.00 -1.06 0.00 0.00 42.46 39.88 2d89 s ILE 55 CO 0.80 0.00 1.33 0.47 -0.10 0.00 0.00 174.94 177.44 2d89 n ASP 56 N -1.29 2.61 -0.08 3.58 9.92 -1.26 -4.73 116.55 125.29 2d89 n ASP 56 Ca -0.14 -3.46 0.26 0.00 -0.53 0.00 0.00 54.79 50.92 2d89 n ASP 56 Cb 0.66 -0.54 0.66 0.00 -0.64 0.00 0.00 41.12 41.26 2d89 n ASP 56 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2d89 h TYR 57 N 0.94 0.00 -0.62 1.24 5.03 -1.91 0.46 116.97 122.11 2d89 h TYR 57 Ca 0.07 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.44 2d89 h TYR 57 Cb 1.31 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.56 2d89 h TYR 57 CO 0.60 0.00 0.41 1.57 -1.32 0.00 0.00 178.16 179.42 2d89 h LYS 58 N 0.00 0.59 -0.21 1.82 2.10 -1.91 -2.53 116.57 116.43 2d89 h LYS 58 Ca 0.36 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.80 2d89 h LYS 58 Cb 1.89 -0.13 -0.17 0.00 -0.90 0.00 0.00 32.23 32.91 2d89 h LYS 58 CO -0.00 0.39 -0.67 -1.13 -2.00 0.00 0.00 179.45 176.04 2d89 n SER 59 N -4.48 2.45 -3.38 7.07 3.41 0.16 -5.06 113.62 113.80 2d89 n SER 59 Ca 0.09 -3.56 -0.12 0.00 -0.26 0.00 0.00 58.87 55.02 2d89 n SER 59 Cb 0.23 -0.45 0.06 0.00 -0.26 0.00 0.00 64.21 63.79 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2d89 n LEU 60 N -0.81 0.00 -3.58 1.04 4.77 -0.91 -5.08 117.00 112.43 2d89 n LEU 60 Ca 0.23 -1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 55.02 2d89 n LEU 60 Cb 0.82 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2d89 n LEU 60 CO 0.08 -0.73 0.96 0.20 -1.33 0.00 0.00 177.39 176.57 2d89 s ASN 61 N -3.08 -0.17 0.00 -1.43 0.02 -1.26 -5.00 114.94 104.01 2d89 s ASN 61 Ca 0.34 -0.00 0.09 0.00 -1.02 0.00 0.00 52.86 52.27 2d89 s ASN 61 Cb -0.02 0.18 0.55 0.00 0.02 0.00 0.00 41.25 41.98 2d89 s ASN 61 CO 0.22 -0.30 0.99 -0.81 0.02 0.00 0.00 177.10 177.23 2d89 n PRO 62 N -0.12 0.49 0.21 -0.60 -0.04 -1.26 -2.59 135.00 131.08 2d89 n PRO 62 Ca -0.01 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.55 2d89 n PRO 62 Cb 0.59 -1.29 0.17 0.00 -0.04 0.00 0.00 33.50 32.92 2d89 n PRO 62 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2d89 h GLN 63 N 0.00 0.00 -4.73 0.54 -0.00 -1.97 -3.43 115.11 105.52 2d89 h GLN 63 Ca 0.00 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 57.97 2d89 h GLN 63 Cb 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 27.48 27.27 2d89 h GLN 63 CO 0.00 0.10 -0.51 -0.51 -0.00 0.00 0.00 178.83 177.91 2d89 s ASP 64 N -6.24 5.84 -0.24 0.06 1.01 -1.07 -4.93 116.67 111.10 2d89 s ASP 64 Ca 0.06 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 52.77 2d89 s ASP 64 Cb 0.06 -2.08 -0.14 0.00 1.01 0.00 0.00 42.92 41.77 2d89 s ASP 64 CO 0.68 -0.24 -0.25 -0.38 0.21 0.00 0.00 175.17 175.19 2d89 n ILE 65 N 5.05 1.36 0.05 0.77 5.41 -1.26 -3.97 119.36 126.77 2d89 n ILE 65 Ca -0.13 -0.45 -0.20 0.00 1.00 0.00 0.00 62.75 62.97 2d89 n ILE 65 Cb 0.49 -1.54 -0.14 0.00 -0.71 0.00 0.00 39.64 37.74 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 -0.36 0.31 0.35 0.38 3.64 -1.79 -3.28 116.57 115.81 2d89 h LYS 66 Ca -0.57 -0.50 -0.02 0.00 -1.27 0.00 0.00 60.65 58.29 2d89 h LYS 66 Cb 1.71 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 2d89 h LYS 66 CO -0.20 1.23 -0.17 1.49 -2.27 0.00 0.00 179.45 179.53 2d89 h GLU 67 N -0.36 -0.45 -0.71 1.90 4.81 -1.89 -1.98 114.58 115.90 2d89 h GLU 67 Ca -0.14 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2d89 h GLU 67 Cb 1.61 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 31.00 2d89 h GLU 67 CO 0.15 -0.30 -0.38 0.09 -0.73 0.00 0.00 179.01 177.84 2d89 n ASN 68 N -3.54 -0.67 -0.07 1.04 4.13 -1.25 0.97 115.26 115.87 2d89 n ASN 68 Ca -0.06 1.26 -0.07 0.00 1.68 0.00 0.00 54.58 57.39 2d89 n ASN 68 Cb 0.19 -0.20 -0.01 0.00 -1.54 0.00 0.00 39.78 38.22 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 -0.07 -0.35 6.41 2.35 -1.62 -2.51 115.58 119.79 2d89 h ASN 69 Ca 0.15 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 2d89 h ASN 69 Cb 0.33 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 2d89 h ASN 69 CO -0.68 -0.00 -0.02 0.50 -1.65 0.00 0.00 177.43 175.58 2d89 h LYS 70 N 0.10 0.08 -0.85 0.81 3.64 0.14 -1.93 116.57 118.55 2d89 h LYS 70 Ca 0.13 -0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.71 2d89 h LYS 70 Cb 0.16 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 31.81 2d89 h LYS 70 CO -0.20 0.05 0.01 0.87 -2.27 0.00 0.00 179.45 177.91 2d89 h LYS 71 N 0.08 0.07 0.00 1.90 1.57 -0.08 -1.50 116.57 118.61 2d89 h LYS 71 Ca 0.17 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2d89 h LYS 71 Cb 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2d89 h LYS 71 CO -0.30 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.63 2d89 n ALA 72 N -3.04 -0.39 -0.24 3.86 0.00 -0.75 -2.71 120.51 117.25 2d89 n ALA 72 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2d89 n ALA 72 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.75 0.06 -0.24 0.00 4.01 -1.00 0.23 117.16 118.46 2d89 n TYR 73 Ca 0.00 0.78 0.05 0.00 -0.16 0.00 0.00 57.90 58.57 2d89 n TYR 73 Cb 0.00 -0.76 0.17 0.00 -0.31 0.00 0.00 39.34 38.44 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 -0.05 0.03 7.72 1.82 -1.29 0.27 116.42 124.92 2d89 h ASP 74 Ca 0.24 0.15 -0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2d89 h ASP 74 Cb 0.40 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2d89 h ASP 74 CO -0.64 -0.06 -0.01 1.23 -1.61 0.00 0.00 179.24 178.15 2d89 h GLY 75 N 0.24 -0.04 -0.09 -0.78 0.00 0.31 -2.44 103.07 100.27 2d89 h GLY 75 Ca 0.40 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.84 2d89 h GLY 75 CO -0.52 -0.01 -0.20 0.74 0.00 0.00 0.00 176.54 176.55 2d89 h PHE 76 N -0.96 -0.48 -0.08 5.60 0.04 -0.05 0.85 116.94 121.86 2d89 h PHE 76 Ca -0.00 0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 2d89 h PHE 76 Cb 0.63 0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 2d89 h PHE 76 CO 0.16 -0.28 -0.33 0.00 -0.60 0.00 0.00 178.31 177.26 2d89 h ALA 77 N 1.27 1.30 -0.81 2.45 0.00 -0.46 -2.42 119.26 120.58 2d89 h ALA 77 Ca 0.23 -0.34 0.18 0.00 0.00 0.00 0.00 54.91 54.98 2d89 h ALA 77 Cb 0.44 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.01 2d89 h ALA 77 CO -0.54 0.49 -0.05 1.03 0.00 0.00 0.00 179.25 180.18 2d89 h SER 78 N 0.13 -0.48 -0.06 0.00 0.87 -0.31 0.16 113.55 113.86 2d89 h SER 78 Ca 0.02 0.22 -0.21 0.00 -1.23 0.00 0.00 61.79 60.59 2d89 h SER 78 Cb 0.65 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2d89 h SER 78 CO 0.05 -0.23 -0.73 0.16 -0.53 0.00 0.00 176.83 175.55 2d89 h ILE 79 N 0.06 1.30 0.00 2.23 3.07 -1.47 -3.47 117.51 119.24 2d89 h ILE 79 Ca 0.44 -1.97 0.00 0.00 1.55 0.00 0.00 64.86 64.88 2d89 h ILE 79 Cb 0.77 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 2d89 h ILE 79 CO -0.75 0.62 0.00 0.61 -1.05 0.00 0.00 178.15 177.57 2d89 n GLY 80 N 0.60 0.00 3.30 0.16 0.00 0.54 -5.12 105.19 104.67 2d89 n GLY 80 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 4.92 -0.03 -0.61 1.01 -0.92 -4.96 121.20 120.60 2d89 s ILE 81 Ca 0.00 -1.45 -0.36 0.00 0.00 0.00 0.00 60.65 58.84 2d89 s ILE 81 Cb 0.00 -4.11 -0.15 0.00 0.01 0.00 0.00 42.46 38.22 2d89 s ILE 81 CO 0.00 -0.75 1.62 -1.20 0.00 0.00 0.00 174.94 174.61 2d89 n SER 82 N 5.14 2.57 -4.61 3.58 7.64 -1.26 -3.38 113.62 123.30 2d89 n SER 82 Ca -0.12 1.07 -0.42 0.00 1.01 0.00 0.00 58.87 60.40 2d89 n SER 82 Cb 0.41 -1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 62.30 2d89 n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d89 s ARG 83 N 2.19 3.86 -0.20 1.43 0.52 -1.26 -4.91 118.95 120.59 2d89 s ARG 83 Ca 0.89 0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 56.53 2d89 s ARG 83 Cb -0.86 -3.79 -0.20 0.00 0.52 0.00 0.00 34.95 30.62 2d89 s ARG 83 CO 0.51 -0.91 0.15 1.28 0.02 0.00 0.00 175.30 176.35 2d89 n LEU 84 N 6.68 2.13 -4.86 2.53 4.77 -1.26 -4.94 117.00 122.06 2d89 n LEU 84 Ca 0.07 0.33 -0.33 0.00 -0.03 0.00 0.00 56.01 56.04 2d89 n LEU 84 Cb 0.48 -0.98 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 2d89 n LEU 84 CO 0.57 0.50 0.32 -0.22 -1.33 0.00 0.00 177.39 177.23 2d89 s LEU 85 N -7.54 4.15 0.05 2.23 2.96 -1.26 -5.09 118.68 114.19 2d89 s LEU 85 Ca -0.29 1.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 2d89 s LEU 85 Cb 0.08 -3.80 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2d89 s LEU 85 CO 0.62 -0.10 0.01 -1.61 -1.32 0.00 0.00 176.35 173.95 2d89 s GLU 86 N -2.74 2.69 -0.02 1.98 0.41 -1.26 -5.05 118.70 114.71 2d89 s GLU 86 Ca 0.49 -0.72 -0.25 0.00 -0.41 0.00 0.00 54.97 54.07 2d89 s GLU 86 Cb -0.12 -2.62 -0.20 0.00 -1.78 0.00 0.00 34.13 29.42 2d89 s GLU 86 CO 0.19 0.58 1.23 -1.00 -0.49 0.00 0.00 175.26 175.77 2d89 h PRO 87 N 3.82 -0.05 -0.00 0.39 0.13 -1.90 -3.21 132.00 131.17 2d89 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2d89 h PRO 87 Cb 1.17 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2d89 h PRO 87 CO 0.59 0.42 -0.02 0.66 -0.23 0.00 0.00 178.00 179.42 2d89 h SER 88 N -0.54 -0.06 -0.91 1.44 4.64 -1.89 -2.71 113.55 113.51 2d89 h SER 88 Ca -0.01 0.01 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 2d89 h SER 88 Cb 0.49 0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 62.45 2d89 h SER 88 CO 0.01 -0.03 0.00 -0.78 -0.87 0.00 0.00 176.83 175.16 2d89 h ASP 89 N -0.04 -0.46 -0.60 4.97 3.58 -1.99 0.36 116.42 122.25 2d89 h ASP 89 Ca 0.01 0.25 0.12 0.00 0.42 0.00 0.00 57.03 57.83 2d89 h ASP 89 Cb 0.05 0.44 -0.10 0.00 1.72 0.00 0.00 39.33 41.44 2d89 h ASP 89 CO -0.03 -0.28 -0.04 0.24 -2.88 0.00 0.00 179.24 176.25 2d89 h MET 90 N 0.05 0.08 -0.15 0.28 2.86 -1.48 -0.49 114.93 116.07 2d89 h MET 90 Ca 0.52 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.13 2d89 h MET 90 Cb 1.00 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 2d89 h MET 90 CO -0.83 0.05 -0.02 0.28 1.06 0.00 0.00 176.91 177.45 2d89 h VAL 91 N 0.08 1.27 -0.05 -2.22 2.07 -0.39 -3.27 116.25 113.74 2d89 h VAL 91 Ca 0.30 -0.91 0.02 0.00 0.82 0.00 0.00 66.70 66.94 2d89 h VAL 91 Cb 0.48 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2d89 h VAL 91 CO -0.54 0.27 -0.53 -0.07 0.02 0.00 0.00 177.57 176.71 2d89 h LEU 92 N -0.01 -1.67-10.30 2.57 3.38 -0.23 -3.42 115.31 105.63 2d89 h LEU 92 Ca 0.04 0.19 -0.50 0.00 0.09 0.00 0.00 57.88 57.70 2d89 h LEU 92 Cb 0.42 0.64 0.04 0.00 0.09 0.00 0.00 40.66 41.85 2d89 h LEU 92 CO 0.01 -0.50 0.22 -1.48 0.09 0.00 0.00 178.44 176.78 2d89 s LEU 93 N -10.18 3.51 -0.08 1.67 0.05 -0.28 -5.04 118.68 108.33 2d89 s LEU 93 Ca -0.16 1.13 -0.05 0.00 0.05 0.00 0.00 54.13 55.10 2d89 s LEU 93 Cb 0.07 -4.11 -0.03 0.00 -2.05 0.00 0.00 46.19 40.07 2d89 s LEU 93 CO 0.60 -0.66 0.20 0.00 -0.55 0.00 0.00 176.35 175.94 2d89 h ALA 94 N 0.14 -0.16 -3.17 1.48 0.00 -1.81 -3.45 119.26 112.29 2d89 h ALA 94 Ca -0.46 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 2d89 h ALA 94 Cb 1.20 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.71 2d89 h ALA 94 CO 0.62 -0.15 -0.86 0.42 0.00 0.00 0.00 179.25 179.28 2d89 s ILE 95 N -2.09 2.15 1.18 0.00 -1.09 -1.26 -4.98 121.20 115.11 2d89 s ILE 95 Ca -0.03 -0.94 -0.18 0.00 -2.23 0.00 0.00 60.65 57.27 2d89 s ILE 95 Cb 0.00 -1.87 0.28 0.00 -1.58 0.00 0.00 42.46 39.29 2d89 s ILE 95 CO 0.08 0.54 1.11 -2.16 -1.23 0.00 0.00 174.94 173.28 2d89 s PRO 96 N 0.92 -1.06 -0.61 2.79 0.04 -1.26 -4.97 135.00 130.86 2d89 s PRO 96 Ca -0.04 -0.01 -0.21 0.00 0.04 0.00 0.00 61.00 60.78 2d89 s PRO 96 Cb -0.15 -1.61 0.08 0.00 0.04 0.00 0.00 34.50 32.86 2d89 s PRO 96 CO -0.04 -3.61 0.82 -0.51 0.04 0.00 0.00 177.00 173.69 2d89 s ASP 97 N -3.85 6.19 0.25 6.66 1.01 -1.26 -4.91 116.67 120.77 2d89 s ASP 97 Ca 0.70 -1.12 -0.02 0.00 0.71 0.00 0.00 52.55 52.82 2d89 s ASP 97 Cb -0.11 -2.36 0.52 0.00 1.01 0.00 0.00 42.92 41.98 2d89 s ASP 97 CO 0.56 -1.23 1.31 1.17 0.21 0.00 0.00 175.17 177.19 2d89 n LYS 98 N 6.95 -0.07 0.14 8.23 4.81 -1.26 0.38 118.16 137.35 2d89 n LYS 98 Ca -0.06 1.28 -0.14 0.00 -0.87 0.00 0.00 58.31 58.52 2d89 n LYS 98 Cb 0.44 -1.97 -0.07 0.00 0.02 0.00 0.00 35.03 33.46 2d89 n LYS 98 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2d89 h LEU 99 N 0.00 -0.97 0.17 3.14 3.38 -1.91 0.76 115.31 119.87 2d89 h LEU 99 Ca 0.46 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.54 2d89 h LEU 99 Cb 0.84 0.36 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 2d89 h LEU 99 CO -0.82 -0.44 -0.48 0.74 0.09 0.00 0.00 178.44 177.52 2d89 h THR 100 N -0.61 0.00 -0.01 0.22 2.02 -0.47 0.50 112.91 114.56 2d89 h THR 100 Ca 0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 2d89 h THR 100 Cb 0.61 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.96 2d89 h THR 100 CO -0.16 0.00 -0.54 0.58 0.37 0.00 0.00 175.52 175.77 2d89 h VAL 101 N -0.73 0.00 -0.82 3.16 2.07 -1.20 -1.26 116.25 117.49 2d89 h VAL 101 Ca -0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.70 2d89 h VAL 101 Cb 0.71 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.36 2d89 h VAL 101 CO -0.23 0.00 0.20 0.24 0.02 0.00 0.00 177.57 177.80 2d89 h MET 102 N -0.67 0.23 0.36 1.57 2.07 -0.68 -1.22 114.93 116.59 2d89 h MET 102 Ca 0.01 -0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2d89 h MET 102 Cb 0.72 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 30.37 2d89 h MET 102 CO -0.37 0.15 -0.40 1.15 1.07 0.00 0.00 176.91 178.52 2d89 h THR 103 N 0.24 0.20 0.12 2.22 2.02 0.21 -2.37 112.91 115.54 2d89 h THR 103 Ca 0.49 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.68 2d89 h THR 103 Cb 0.91 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2d89 h THR 103 CO -0.59 0.00 -0.49 0.22 0.37 0.00 0.00 175.52 175.03 2d89 h TYR 104 N -0.79 -1.41 -0.99 3.16 3.20 -0.32 -2.66 116.97 117.16 2d89 h TYR 104 Ca -0.03 0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.99 2d89 h TYR 104 Cb 0.72 0.60 -0.13 0.00 1.54 0.00 0.00 36.73 39.45 2d89 h TYR 104 CO -0.24 -0.57 -0.53 1.28 -1.64 0.00 0.00 178.16 176.46 2d89 n LEU 105 N -5.48 -0.93 -0.29 2.82 4.77 -0.60 0.47 117.00 117.76 2d89 n LEU 105 Ca -0.08 1.76 0.19 0.00 -0.03 0.00 0.00 56.01 57.85 2d89 n LEU 105 Cb 0.40 -0.28 0.37 0.00 -2.33 0.00 0.00 43.42 41.59 2d89 n LEU 105 CO 0.17 -1.47 0.78 -1.22 -1.33 0.00 0.00 177.39 174.32 2d89 n TYR 106 N -5.31 0.76 0.12 -1.77 4.01 -0.90 0.20 117.16 114.26 2d89 n TYR 106 Ca 0.04 1.02 -0.15 0.00 -0.16 0.00 0.00 57.90 58.65 2d89 n TYR 106 Cb 0.30 -1.27 -0.08 0.00 -0.31 0.00 0.00 39.34 37.97 2d89 n TYR 106 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2d89 h GLN 107 N 0.00 -0.69 -0.04 -0.72 1.08 0.03 0.22 115.11 114.99 2d89 h GLN 107 Ca 0.61 0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.90 2d89 h GLN 107 Cb 1.46 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 29.00 2d89 h GLN 107 CO -0.74 -0.46 -0.31 0.82 -0.95 0.00 0.00 178.83 177.19 2d89 h ILE 108 N -0.72 0.31 -0.69 2.54 5.03 -0.27 0.24 117.51 123.95 2d89 h ILE 108 Ca 0.01 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.88 2d89 h ILE 108 Cb 0.73 0.31 -0.04 0.00 -3.03 0.00 0.00 36.82 34.79 2d89 h ILE 108 CO -0.26 0.00 0.47 -0.09 -0.68 0.00 0.00 178.15 177.59 2d89 h ARG 109 N -0.44 0.36 0.06 2.37 2.43 -1.15 0.10 114.38 118.12 2d89 h ARG 109 Ca 0.07 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2d89 h ARG 109 Cb 0.54 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2d89 h ARG 109 CO -0.29 0.24 -0.03 0.00 -1.51 0.00 0.00 179.97 178.38 2d89 h ALA 110 N 1.67 -0.08 0.11 2.80 0.00 0.10 0.20 119.26 124.06 2d89 h ALA 110 Ca 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2d89 h ALA 110 Cb 0.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2d89 h ALA 110 CO -0.10 -0.32 -0.05 0.45 0.00 0.00 0.00 179.25 179.23 2d89 h HIS 111 N -0.53 -0.14 0.35 0.00 3.86 -0.28 -3.23 115.15 115.17 2d89 h HIS 111 Ca -0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2d89 h HIS 111 Cb 0.46 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2d89 h HIS 111 CO 0.07 0.01 -0.17 0.74 0.86 0.00 0.00 177.93 179.45 2d89 h PHE 112 N -0.27 -0.43 -4.11 2.45 -1.00 -0.91 -3.44 116.94 109.23 2d89 h PHE 112 Ca -0.02 -0.01 -0.69 0.00 2.81 0.00 0.00 57.97 60.06 2d89 h PHE 112 Cb 0.22 0.14 -0.24 0.00 3.61 0.00 0.00 35.95 39.68 2d89 h PHE 112 CO -0.03 -0.17 -0.81 -1.54 -1.61 0.00 0.00 178.31 174.14 2d89 s SER 113 N -4.90 3.73 -0.20 2.17 1.04 0.69 -5.08 113.70 111.13 2d89 s SER 113 Ca -0.15 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.83 2d89 s SER 113 Cb 0.03 -0.63 -0.05 0.00 0.10 0.00 0.00 66.02 65.48 2d89 s SER 113 CO 0.60 0.30 0.11 -0.44 0.98 0.00 0.00 173.24 174.79 2d89 s SER 114 N -1.06 5.96 0.00 7.02 0.01 -1.25 -3.69 113.70 120.69 2d89 s SER 114 Ca 0.13 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2d89 s SER 114 Cb -0.10 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2d89 s SER 114 CO 0.03 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2d89 n GLY 115 N 3.74 0.74 3.69 3.44 0.00 -1.26 -4.95 105.19 110.59 2d89 n GLY 115 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 0.34 4.26 0.13 1.61 0.04 -1.26 -4.94 135.00 135.18 2d89 s PRO 116 Ca 0.00 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2d89 s PRO 116 Cb 0.00 -3.60 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 2d89 s PRO 116 CO 0.00 -0.62 1.63 0.77 0.04 0.00 0.00 177.00 178.83 2d89 h SER 117 N 8.00 -0.80 0.25 6.66 0.02 -2.05 -2.95 113.55 122.67 2d89 h SER 117 Ca -0.38 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2d89 h SER 117 Cb 1.18 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2d89 h SER 117 CO 0.91 -0.33 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.87 2d89 h SER 118 N -0.40 -0.29 0.00 3.07 0.87 -2.04 -3.54 113.55 111.22 2d89 h SER 118 Ca 0.07 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2d89 h SER 118 Cb 0.49 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2d89 h SER 118 CO -0.25 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.63