#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 5.99 -0.03 1.61 1.04 -1.26 -4.95 113.70 116.10 2d89 s SER 2 Ca 0.00 -1.01 -0.24 0.00 0.48 0.00 0.00 55.95 55.18 2d89 s SER 2 Cb 0.00 -2.12 -0.21 0.00 0.10 0.00 0.00 66.02 63.79 2d89 s SER 2 CO 0.00 -0.46 1.13 0.77 0.98 0.00 0.00 173.24 175.66 2d89 h SER 3 N 8.58 0.22 0.00 7.02 4.64 -2.03 -3.50 113.55 128.49 2d89 h SER 3 Ca -0.27 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 2d89 h SER 3 Cb 1.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2d89 h SER 3 CO 0.73 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 178.16 2d89 n GLY 4 N 0.75 1.28 3.69 -0.77 0.00 -1.26 -5.03 105.19 103.85 2d89 n GLY 4 Ca -0.09 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.00 6.46 0.21 1.61 1.04 -1.26 -5.04 113.70 112.72 2d89 s SER 5 Ca 0.00 0.54 -0.32 0.00 0.48 0.00 0.00 55.95 56.65 2d89 s SER 5 Cb 0.00 -2.22 -0.12 0.00 0.10 0.00 0.00 66.02 63.78 2d89 s SER 5 CO 0.00 -0.03 1.70 -0.44 0.98 0.00 0.00 173.24 175.46 2d89 s SER 6 N 0.88 6.39 0.00 7.02 0.01 -1.26 -4.88 113.70 121.86 2d89 s SER 6 Ca 0.19 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.30 2d89 s SER 6 Cb -0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2d89 s SER 6 CO 0.07 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2d89 n GLY 7 N 3.86 4.23 0.00 3.44 0.00 -1.26 -4.94 105.19 110.51 2d89 n GLY 7 Ca 0.15 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.24 0.45 -0.26 1.61 -0.04 -1.26 -3.98 135.00 131.28 2d89 n PRO 8 Ca 0.00 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.59 2d89 n PRO 8 Cb 0.00 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.18 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 -1.04 -0.09 -4.81 3.54 5.15 -1.26 -4.05 115.26 112.71 2d89 n ASN 9 Ca 0.11 1.26 -0.37 0.00 -0.60 0.00 0.00 54.58 54.98 2d89 n ASN 9 Cb 0.06 -0.46 -0.06 0.00 -0.53 0.00 0.00 39.78 38.79 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 -5.66 3.71 0.13 5.20 0.00 -1.26 -5.00 121.76 118.89 2d89 s ALA 10 Ca -0.10 -0.45 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2d89 s ALA 10 Cb 0.22 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 2d89 s ALA 10 CO 0.58 0.37 1.65 0.66 0.00 0.00 0.00 175.76 179.02 2d89 h SER 11 N 5.58 -0.62 -0.73 0.00 4.64 -1.95 -1.84 113.55 118.63 2d89 h SER 11 Ca -0.48 0.10 0.28 0.00 -0.47 0.00 0.00 61.79 61.22 2d89 h SER 11 Cb 1.20 0.28 -0.13 0.00 -0.31 0.00 0.00 62.40 63.44 2d89 h SER 11 CO 0.66 -0.25 0.30 1.67 -0.87 0.00 0.00 176.83 178.34 2d89 n GLN 12 N -5.34 -0.05 -0.32 4.77 -0.06 -1.26 0.79 117.38 115.91 2d89 n GLN 12 Ca -0.03 1.03 0.03 0.00 -2.00 0.00 0.00 57.00 56.03 2d89 n GLN 12 Cb 0.25 -1.80 0.11 0.00 -4.06 0.00 0.00 30.24 24.74 2d89 n GLN 12 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 2d89 h SER 13 N 0.00 -0.89 0.73 1.69 0.87 -1.66 -0.19 113.55 114.10 2d89 h SER 13 Ca 0.58 0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 61.37 2d89 h SER 13 Cb 1.47 0.57 0.01 0.00 -0.44 0.00 0.00 62.40 64.00 2d89 h SER 13 CO -0.59 -0.29 -0.35 0.25 -0.53 0.00 0.00 176.83 175.31 2d89 h LEU 14 N -0.01 -0.83 -0.94 2.23 5.85 0.20 -2.23 115.31 119.58 2d89 h LEU 14 Ca 0.41 0.03 0.36 0.00 0.84 0.00 0.00 57.88 59.52 2d89 h LEU 14 Cb 0.64 0.21 -0.17 0.00 0.37 0.00 0.00 40.66 41.71 2d89 h LEU 14 CO -0.91 -0.45 0.39 -0.11 -0.34 0.00 0.00 178.44 177.02 2d89 n LEU 15 N -5.42 0.22 0.17 2.25 7.94 -0.64 -0.18 117.00 121.35 2d89 n LEU 15 Ca -0.12 1.57 -0.12 0.00 -1.11 0.00 0.00 56.01 56.23 2d89 n LEU 15 Cb 0.39 -0.72 -0.07 0.00 0.53 0.00 0.00 43.42 43.54 2d89 n LEU 15 CO 0.29 -1.72 0.43 0.58 -1.11 0.00 0.00 177.39 175.87 2d89 h VAL 16 N 0.00 0.50 -0.91 1.96 2.07 -0.99 -2.64 116.25 116.23 2d89 h VAL 16 Ca 0.75 -0.66 0.20 0.00 0.82 0.00 0.00 66.70 67.80 2d89 h VAL 16 Cb 1.89 0.76 -0.17 0.00 -1.52 0.00 0.00 31.29 32.26 2d89 h VAL 16 CO -0.76 0.10 -0.15 -0.25 0.02 0.00 0.00 177.57 176.52 2d89 h TRP 17 N -0.92 -0.35 -0.12 1.57 7.01 0.07 0.75 115.95 123.96 2d89 h TRP 17 Ca -0.05 0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2d89 h TRP 17 Cb 0.53 0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 2d89 h TRP 17 CO 0.03 -0.39 0.07 0.00 -2.79 0.00 0.00 178.44 175.36 2d89 h LYS 19 N 0.11 0.00 0.37 0.00 1.57 -0.15 -2.41 116.57 116.06 2d89 h LYS 19 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2d89 h LYS 19 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2d89 h LYS 19 CO -0.01 0.12 -0.18 1.49 -0.57 0.00 0.00 179.45 180.31 2d89 h GLU 20 N 0.00 -0.48 0.00 3.15 4.81 0.98 -0.45 114.58 122.59 2d89 h GLU 20 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2d89 h GLU 20 Cb 0.36 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2d89 h GLU 20 CO 0.02 -0.32 0.08 -0.39 -0.73 0.00 0.00 179.01 177.67 2d89 h VAL 21 N -1.11 0.00 -0.17 0.32 -1.51 -1.26 0.13 116.25 112.66 2d89 h VAL 21 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 2d89 h VAL 21 Cb 0.38 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 2d89 h VAL 21 CO 0.08 0.00 -0.01 0.35 -1.23 0.00 0.00 177.57 176.76 2d89 n THR 22 N -2.80 2.16 0.21 7.19 -2.24 -0.91 -4.63 114.28 113.27 2d89 n THR 22 Ca -0.02 -2.09 0.06 0.00 -2.27 0.00 0.00 64.05 59.73 2d89 n THR 22 Cb 0.14 -0.25 0.48 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.10 0.00 -0.90 -0.78 2.10 0.10 -2.81 116.57 115.39 2d89 h LYS 23 Ca 0.01 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.04 2d89 h LYS 23 Cb 1.29 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 32.28 2d89 h LYS 23 CO 0.15 0.27 0.20 0.09 -2.00 0.00 0.00 179.45 178.16 2d89 n ASN 24 N -3.93 6.55 -4.71 7.07 3.02 -1.26 -4.99 115.26 117.01 2d89 n ASN 24 Ca -0.02 -3.77 -0.32 0.00 -0.03 0.00 0.00 54.58 50.44 2d89 n ASN 24 Cb 0.35 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 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 -0.84 0.91 -5.11 3.10 4.02 -1.06 -5.15 117.16 113.02 2d89 n TYR 25 Ca 0.55 -2.49 -0.30 0.00 -0.01 0.00 0.00 57.90 55.66 2d89 n TYR 25 Cb 0.79 -0.35 -0.16 0.00 -0.02 0.00 0.00 39.34 39.59 2d89 n TYR 25 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2d89 s ARG 26 N -3.91 2.38 -1.26 -0.72 3.00 -1.26 -4.71 118.95 112.48 2d89 s ARG 26 Ca 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 55.73 54.92 2d89 s ARG 26 Cb -0.00 -1.98 0.01 0.00 0.00 0.00 0.00 34.95 32.97 2d89 s ARG 26 CO 0.03 0.30 0.79 0.41 0.00 0.00 0.00 175.30 176.83 2d89 n GLY 27 N 3.13 -0.35 2.96 -3.53 0.00 -1.26 -4.97 105.19 101.17 2d89 n GLY 27 Ca -0.18 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.19 2.87 -0.34 1.61 1.01 -1.26 -4.93 120.40 116.17 2d89 s VAL 28 Ca 0.39 -3.57 0.01 0.00 0.00 0.00 0.00 61.98 58.81 2d89 s VAL 28 Cb -0.17 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.36 2d89 s VAL 28 CO 0.49 -0.88 0.06 -0.54 0.00 0.00 0.00 175.10 174.23 2d89 s LYS 29 N -0.64 1.90 -1.28 2.72 1.02 -1.26 -4.99 119.74 117.22 2d89 s LYS 29 Ca 0.20 -1.68 -0.07 0.00 0.02 0.00 0.00 55.97 54.43 2d89 s LYS 29 Cb -0.19 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2d89 s LYS 29 CO -0.05 -0.87 2.80 -0.89 -0.92 0.00 0.00 175.35 175.42 2d89 n ILE 30 N 4.44 4.48 0.18 2.17 -0.00 -1.26 -4.57 119.36 124.80 2d89 n ILE 30 Ca -0.03 -3.17 0.04 0.00 -0.00 0.00 0.00 62.75 59.59 2d89 n ILE 30 Cb 0.42 -2.28 0.32 0.00 -0.00 0.00 0.00 39.64 38.10 2d89 n ILE 30 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 2d89 h THR 31 N 2.68 1.03 -4.63 1.39 1.35 -1.97 -3.46 112.91 109.31 2d89 h THR 31 Ca 0.72 -1.57 -0.27 0.00 -0.55 0.00 0.00 66.41 64.74 2d89 h THR 31 Cb 0.43 1.91 -0.15 0.00 -1.73 0.00 0.00 68.15 68.62 2d89 h THR 31 CO 1.46 0.41 -0.60 0.20 -0.25 0.00 0.00 175.52 176.73 2d89 s ASN 32 N -6.57 0.34 -0.33 5.36 0.01 -1.26 -5.06 114.94 107.42 2d89 s ASN 32 Ca -0.01 -1.44 0.07 0.00 -0.71 0.00 0.00 52.86 50.78 2d89 s ASN 32 Cb 0.12 0.40 0.47 0.00 0.41 0.00 0.00 41.25 42.65 2d89 s ASN 32 CO 0.70 -0.87 1.42 0.49 -1.51 0.00 0.00 177.10 177.33 2d89 n PHE 33 N -0.31 1.78 0.03 2.20 3.72 -1.26 -4.36 117.46 119.26 2d89 n PHE 33 Ca 0.03 -1.98 0.00 0.00 -0.05 0.00 0.00 57.45 55.44 2d89 n PHE 33 Cb 0.66 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.96 0.15 -0.05 4.37 -2.24 -1.26 -4.24 114.28 110.05 2d89 n THR 34 Ca 0.39 0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 62.07 2d89 n THR 34 Cb 0.93 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.72 -1.46 4.28 1.35 -1.94 -1.77 112.91 115.09 2d89 h THR 35 Ca 0.00 -2.37 0.42 0.00 -0.55 0.00 0.00 66.41 63.91 2d89 h THR 35 Cb 0.00 3.32 -0.06 0.00 -1.73 0.00 0.00 68.15 69.68 2d89 h THR 35 CO 0.00 0.61 1.27 -1.20 -0.25 0.00 0.00 175.52 175.95 2d89 n SER 36 N -4.53 0.00 -0.05 5.36 7.64 -1.26 0.18 113.62 120.96 2d89 n SER 36 Ca -0.12 0.84 -0.02 0.00 1.01 0.00 0.00 58.87 60.58 2d89 n SER 36 Cb 0.54 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 2d89 n SER 36 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2d89 n TRP 37 N -3.50 0.00 -0.28 1.43 7.02 -1.24 -4.32 117.44 116.55 2d89 n TRP 37 Ca 0.33 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.86 2d89 n TRP 37 Cb 1.70 -0.54 0.12 0.00 -2.42 0.00 0.00 31.31 30.18 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 -2.32 -0.07 -0.06 -0.99 0.63 0.47 0.12 116.66 114.43 2d89 n ARG 38 Ca -0.15 1.22 -0.12 0.00 -0.92 0.00 0.00 57.85 57.88 2d89 n ARG 38 Cb 0.75 -1.84 -0.05 0.00 0.45 0.00 0.00 32.46 31.76 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 0.34 0.00 6.15 7.08 -1.80 -3.45 115.58 123.90 2d89 h ASN 39 Ca 0.39 -0.32 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 2d89 h ASN 39 Cb 0.62 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 2d89 h ASN 39 CO -0.80 0.58 0.00 0.61 -2.08 0.00 0.00 177.43 175.74 2d89 n GLY 40 N -0.27 1.96 0.01 9.14 0.00 0.32 -3.77 105.19 112.57 2d89 n GLY 40 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.22 0.99 3.38 -1.77 -3.20 115.31 113.49 2d89 h LEU 41 Ca 0.00 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.34 2d89 h LEU 41 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 2d89 h LEU 41 CO 0.00 0.07 0.70 0.28 0.09 0.00 0.00 178.44 179.58 2d89 h SER 42 N -0.13 0.37 0.45 -0.43 0.02 -1.92 0.29 113.55 112.20 2d89 h SER 42 Ca 0.00 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 2d89 h SER 42 Cb 0.01 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2d89 h SER 42 CO 0.00 -0.16 -0.24 -0.26 -1.14 0.00 0.00 176.83 175.03 2d89 h PHE 43 N 0.19 -0.63 -0.35 3.45 0.04 -1.91 0.90 116.94 118.63 2d89 h PHE 43 Ca 0.77 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 61.43 2d89 h PHE 43 Cb 2.10 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 40.45 2d89 h PHE 43 CO -0.01 -0.38 -0.17 0.00 -0.60 0.00 0.00 178.31 177.15 2d89 h ALA 45 N 1.24 0.09 0.17 0.00 0.00 -0.38 -0.40 119.26 119.99 2d89 h ALA 45 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2d89 h ALA 45 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2d89 h ALA 45 CO 0.04 -0.35 -0.27 0.82 0.00 0.00 0.00 179.25 179.50 2d89 h ILE 46 N -0.00 0.42 0.00 0.00 2.04 -0.75 0.20 117.51 119.42 2d89 h ILE 46 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2d89 h ILE 46 Cb 0.12 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2d89 h ILE 46 CO -0.00 0.00 -0.05 0.25 0.00 0.00 0.00 178.15 178.35 2d89 h LEU 47 N -0.51 0.00 0.00 1.44 5.85 -1.47 -1.45 115.31 119.17 2d89 h LEU 47 Ca 0.02 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.52 2d89 h LEU 47 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2d89 h LEU 47 CO -0.12 0.05 -1.02 -0.74 -0.34 0.00 0.00 178.44 176.26 2d89 h HIS 48 N 0.00 0.07 0.40 1.25 2.76 0.17 -3.03 115.15 116.77 2d89 h HIS 48 Ca -0.00 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2d89 h HIS 48 Cb 0.14 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2d89 h HIS 48 CO 0.00 1.03 -0.39 1.25 -1.30 0.00 0.00 177.93 178.52 2d89 h HIS 49 N 0.01 -1.08 0.19 5.26 -0.00 0.48 0.95 115.15 120.96 2d89 h HIS 49 Ca -0.03 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2d89 h HIS 49 Cb 1.78 0.42 0.00 0.00 -0.00 0.00 0.00 27.41 29.61 2d89 h HIS 49 CO 0.01 -0.52 -0.09 0.74 -0.00 0.00 0.00 177.93 178.07 2d89 h PHE 50 N -0.78 -0.23 -3.09 5.26 -1.00 -1.70 -3.38 116.94 112.01 2d89 h PHE 50 Ca -0.05 -0.01 -0.61 0.00 2.81 0.00 0.00 57.97 60.12 2d89 h PHE 50 Cb 0.68 0.08 -0.40 0.00 3.61 0.00 0.00 35.95 39.91 2d89 h PHE 50 CO -0.20 -0.10 -0.74 0.50 -1.61 0.00 0.00 178.31 176.15 2d89 s ARG 51 N -5.95 1.16 0.00 1.51 6.06 -1.14 -4.96 118.95 115.64 2d89 s ARG 51 Ca -0.14 -1.76 0.11 0.00 -2.50 0.00 0.00 55.73 51.43 2d89 s ARG 51 Cb 0.05 -2.33 0.66 0.00 0.06 0.00 0.00 34.95 33.39 2d89 s ARG 51 CO 0.64 -1.10 1.09 -0.35 -2.50 0.00 0.00 175.30 173.09 2d89 n PRO 52 N 3.93 0.49 -0.76 5.12 -0.04 0.32 -2.43 135.00 141.64 2d89 n PRO 52 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2d89 n PRO 52 Cb 0.37 -1.35 0.20 0.00 -0.04 0.00 0.00 33.50 32.68 2d89 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2d89 n ASP 53 N -0.85 2.59 -0.03 3.54 -0.08 -1.26 -4.52 116.55 115.93 2d89 n ASP 53 Ca 0.08 -3.70 -0.04 0.00 -1.51 0.00 0.00 54.79 49.63 2d89 n ASP 53 Cb 0.04 -0.62 -0.04 0.00 2.34 0.00 0.00 41.12 42.83 2d89 n ASP 53 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2d89 n LEU 54 N -1.07 1.24 0.00 -2.67 4.77 -1.02 -5.07 117.00 113.18 2d89 n LEU 54 Ca 0.32 -0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 56.08 2d89 n LEU 54 Cb 1.01 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 42.03 2d89 n LEU 54 CO 0.18 0.35 -0.14 -0.38 -1.33 0.00 0.00 177.39 176.07 2d89 n ILE 55 N -2.43 0.00 -1.42 -0.08 -0.00 -1.26 -4.97 119.36 109.19 2d89 n ILE 55 Ca -0.12 -1.60 -0.03 0.00 -0.00 0.00 0.00 62.75 61.00 2d89 n ILE 55 Cb 0.68 0.40 0.20 0.00 -0.00 0.00 0.00 39.64 40.92 2d89 n ILE 55 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2d89 n ASP 56 N -1.36 2.56 0.29 4.38 9.92 -1.26 -4.69 116.55 126.39 2d89 n ASP 56 Ca -0.11 -3.72 0.15 0.00 -0.53 0.00 0.00 54.79 50.58 2d89 n ASP 56 Cb 0.42 -0.63 0.82 0.00 -0.64 0.00 0.00 41.12 41.10 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 1.05 0.00 0.00 1.24 5.03 -1.92 0.25 116.97 122.62 2d89 h TYR 57 Ca 0.21 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 2d89 h TYR 57 Cb 1.65 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.92 2d89 h TYR 57 CO 1.00 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 0.00 1.82 2.10 -1.93 -3.07 116.57 115.49 2d89 h LYS 58 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2d89 h LYS 58 Cb 0.39 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.63 2d89 h LYS 58 CO 0.00 0.05 -0.51 0.43 -2.00 0.00 0.00 179.45 177.42 2d89 n SER 59 N -3.19 1.00 -3.14 7.07 7.64 0.81 -5.08 113.62 118.73 2d89 n SER 59 Ca -0.00 -2.50 -0.13 0.00 1.01 0.00 0.00 58.87 57.25 2d89 n SER 59 Cb 0.29 -0.32 0.08 0.00 -1.01 0.00 0.00 64.21 63.26 2d89 n SER 59 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2d89 n LEU 60 N -0.36 0.00 -3.55 -3.43 4.77 -0.75 -5.10 117.00 108.57 2d89 n LEU 60 Ca 0.08 -0.92 -0.06 0.00 -0.03 0.00 0.00 56.01 55.07 2d89 n LEU 60 Cb 0.79 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2d89 n LEU 60 CO -0.01 -0.85 0.87 0.20 -1.33 0.00 0.00 177.39 176.26 2d89 s ASN 61 N -3.24 -0.24 0.00 -1.43 0.02 -1.26 -5.01 114.94 103.78 2d89 s ASN 61 Ca 0.36 0.00 0.10 0.00 -1.02 0.00 0.00 52.86 52.30 2d89 s ASN 61 Cb -0.01 0.25 0.63 0.00 0.02 0.00 0.00 41.25 42.13 2d89 s ASN 61 CO 0.24 -0.40 1.06 -0.81 0.02 0.00 0.00 177.10 177.21 2d89 n PRO 62 N -0.15 0.49 0.03 -0.60 -0.04 -1.26 -2.57 135.00 130.90 2d89 n PRO 62 Ca -0.04 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 2d89 n PRO 62 Cb 0.60 -1.34 0.55 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.84 0.08 -3.86 0.54 -0.00 -1.26 -4.64 117.38 107.40 2d89 n GLN 63 Ca 0.08 0.07 -0.36 0.00 -0.00 0.00 0.00 57.00 56.79 2d89 n GLN 63 Cb 0.04 -1.59 -0.13 0.00 -0.00 0.00 0.00 30.24 28.55 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 -3.47 4.76 -0.26 2.61 1.01 -1.06 -4.96 116.67 115.29 2d89 s ASP 64 Ca 0.13 -0.86 -0.05 0.00 0.71 0.00 0.00 52.55 52.48 2d89 s ASP 64 Cb 0.17 -1.77 -0.15 0.00 1.01 0.00 0.00 42.92 42.18 2d89 s ASP 64 CO 0.55 -0.18 -0.28 -0.38 0.21 0.00 0.00 175.17 175.10 2d89 n ILE 65 N 4.75 1.48 0.08 0.77 5.41 -1.25 -3.84 119.36 126.75 2d89 n ILE 65 Ca -0.15 -0.49 -0.21 0.00 1.00 0.00 0.00 62.75 62.90 2d89 n ILE 65 Cb 0.47 -1.60 -0.14 0.00 -0.71 0.00 0.00 39.64 37.66 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 -0.40 0.42 0.40 0.38 3.64 -1.79 -3.27 116.57 115.94 2d89 h LYS 66 Ca -0.62 -0.66 -0.02 0.00 -1.27 0.00 0.00 60.65 58.08 2d89 h LYS 66 Cb 1.77 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2d89 h LYS 66 CO -0.23 1.30 -0.19 1.49 -2.27 0.00 0.00 179.45 179.56 2d89 h GLU 67 N -0.13 -0.52 -0.78 1.90 4.57 -1.88 -1.58 114.58 116.16 2d89 h GLU 67 Ca -0.17 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2d89 h GLU 67 Cb 1.79 0.12 -0.13 0.00 -0.16 0.00 0.00 28.75 30.37 2d89 h GLU 67 CO 0.19 -0.34 -0.30 0.09 -1.18 0.00 0.00 179.01 177.47 2d89 n ASN 68 N -3.97 -0.49 -0.07 1.04 4.13 -1.25 0.97 115.26 115.62 2d89 n ASN 68 Ca -0.07 1.36 -0.10 0.00 1.68 0.00 0.00 54.58 57.45 2d89 n ASN 68 Cb 0.21 -0.32 -0.04 0.00 -1.54 0.00 0.00 39.78 38.10 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 0.30 -0.52 6.41 2.35 -1.61 -2.93 115.58 119.58 2d89 h ASN 69 Ca 0.28 -0.12 0.09 0.00 -0.55 0.00 0.00 56.30 56.00 2d89 h ASN 69 Cb 0.47 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.69 2d89 h ASN 69 CO -0.78 0.34 0.12 0.50 -1.65 0.00 0.00 177.43 175.96 2d89 h LYS 70 N 0.25 0.25 -0.23 0.81 1.63 0.17 -2.56 116.57 116.88 2d89 h LYS 70 Ca 0.08 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2d89 h LYS 70 Cb 0.11 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.61 2d89 h LYS 70 CO -0.01 0.17 -0.53 0.87 -3.45 0.00 0.00 179.45 176.49 2d89 h LYS 71 N 0.26 -0.49 0.00 1.90 1.57 -0.46 -1.66 116.57 117.68 2d89 h LYS 71 Ca 0.26 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2d89 h LYS 71 Cb 0.36 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2d89 h LYS 71 CO -0.33 -0.33 0.00 0.00 -0.57 0.00 0.00 179.45 178.22 2d89 n ALA 72 N -3.03 -0.18 -0.26 3.86 0.00 -0.99 -1.99 120.51 117.93 2d89 n ALA 72 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2d89 n ALA 72 Cb 0.37 0.26 0.08 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.29 0.19 -0.21 0.00 4.01 -1.05 0.22 117.16 118.02 2d89 n TYR 73 Ca 0.00 0.86 0.01 0.00 -0.16 0.00 0.00 57.90 58.62 2d89 n TYR 73 Cb 0.00 -0.87 0.12 0.00 -0.31 0.00 0.00 39.34 38.29 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 0.07 7.72 1.82 -0.69 0.19 116.42 125.61 2d89 h ASP 74 Ca 0.31 0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 57.06 2d89 h ASP 74 Cb 0.49 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.63 2d89 h ASP 74 CO -0.72 0.04 -0.03 1.23 -1.61 0.00 0.00 179.24 178.15 2d89 h GLY 75 N 0.31 -0.10 -0.01 -0.78 0.00 0.32 -3.00 103.07 99.81 2d89 h GLY 75 Ca 0.33 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.75 2d89 h GLY 75 CO -0.39 -0.03 -0.38 0.74 0.00 0.00 0.00 176.54 176.47 2d89 h PHE 76 N -0.94 -1.08 0.00 5.60 0.04 -0.15 0.51 116.94 120.93 2d89 h PHE 76 Ca -0.01 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2d89 h PHE 76 Cb 0.55 0.50 0.00 0.00 2.20 0.00 0.00 35.95 39.20 2d89 h PHE 76 CO 0.13 -0.44 0.00 0.00 -0.60 0.00 0.00 178.31 177.40 2d89 n ALA 77 N -2.93 1.36 0.03 2.45 0.00 0.65 -1.99 120.51 120.09 2d89 n ALA 77 Ca -0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2d89 n ALA 77 Cb 0.35 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 0.71 0.74 0.00 0.87 0.18 -3.27 113.55 112.78 2d89 h SER 78 Ca 0.00 -0.50 -0.25 0.00 -1.23 0.00 0.00 61.79 59.81 2d89 h SER 78 Cb 0.10 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2d89 h SER 78 CO 0.00 1.28 -1.30 0.16 -0.53 0.00 0.00 176.83 176.44 2d89 h ILE 79 N 0.37 1.37 0.00 2.23 3.07 -1.27 -3.47 117.51 119.82 2d89 h ILE 79 Ca -0.06 -3.10 0.00 0.00 1.55 0.00 0.00 64.86 63.25 2d89 h ILE 79 Cb 1.45 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 40.73 2d89 h ILE 79 CO 0.16 0.82 0.00 0.61 -1.05 0.00 0.00 178.15 178.68 2d89 n GLY 80 N 1.47 0.02 3.16 0.16 0.00 -1.14 -5.11 105.19 103.75 2d89 n GLY 80 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.03 4.05 0.03 -0.61 1.01 -0.99 -4.98 121.20 119.69 2d89 s ILE 81 Ca 0.00 -2.53 -0.38 0.00 0.00 0.00 0.00 60.65 57.74 2d89 s ILE 81 Cb 0.00 -3.64 -0.18 0.00 0.01 0.00 0.00 42.46 38.65 2d89 s ILE 81 CO 0.00 -0.86 1.23 -1.54 0.00 0.00 0.00 174.94 173.77 2d89 n SER 82 N 4.00 0.89 -4.68 3.58 3.41 -1.26 -3.39 113.62 116.16 2d89 n SER 82 Ca 0.04 1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 59.37 2d89 n SER 82 Cb 0.40 -1.06 -0.02 0.00 -0.26 0.00 0.00 64.21 63.27 2d89 n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d89 s ARG 83 N 0.36 4.37 -0.17 4.33 1.70 -1.26 -4.92 118.95 123.37 2d89 s ARG 83 Ca 0.88 1.50 -0.09 0.00 -0.47 0.00 0.00 55.73 57.55 2d89 s ARG 83 Cb -1.11 -3.57 -0.07 0.00 -0.57 0.00 0.00 34.95 29.63 2d89 s ARG 83 CO 0.52 -0.41 -0.23 1.28 -1.08 0.00 0.00 175.30 175.39 2d89 n LEU 84 N 5.30 1.26 -4.86 -1.89 4.77 -1.26 -5.01 117.00 115.31 2d89 n LEU 84 Ca 0.10 0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.96 2d89 n LEU 84 Cb 0.47 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 2d89 n LEU 84 CO 0.53 0.30 0.24 -0.22 -1.33 0.00 0.00 177.39 176.91 2d89 s LEU 85 N -7.00 4.24 -0.01 2.23 2.96 -1.26 -5.09 118.68 114.76 2d89 s LEU 85 Ca -0.24 1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.68 2d89 s LEU 85 Cb 0.09 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 2d89 s LEU 85 CO 0.30 0.00 0.13 -1.61 -1.32 0.00 0.00 176.35 173.85 2d89 s GLU 86 N -2.43 3.24 0.09 1.98 2.02 -1.26 -5.03 118.70 117.32 2d89 s GLU 86 Ca 0.43 -0.41 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 2d89 s GLU 86 Cb -0.13 -2.97 -0.09 0.00 0.10 0.00 0.00 34.13 31.03 2d89 s GLU 86 CO 0.20 0.66 1.41 -1.00 0.02 0.00 0.00 175.26 176.55 2d89 h PRO 87 N 3.95 0.64 0.06 0.39 0.13 -1.89 -3.29 132.00 131.99 2d89 h PRO 87 Ca -0.49 -0.34 -0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2d89 h PRO 87 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2d89 h PRO 87 CO 0.66 0.94 -0.03 0.66 -0.23 0.00 0.00 178.00 180.00 2d89 h SER 88 N 0.37 -0.07 -0.83 1.44 4.64 -1.89 -3.16 113.55 114.04 2d89 h SER 88 Ca 0.04 -0.32 0.22 0.00 -0.47 0.00 0.00 61.79 61.26 2d89 h SER 88 Cb 0.82 0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 62.78 2d89 h SER 88 CO 0.07 0.29 -0.02 0.47 -0.87 0.00 0.00 176.83 176.76 2d89 n ASP 89 N -4.96 -0.13 -0.20 4.97 9.92 -1.24 0.14 116.55 125.05 2d89 n ASP 89 Ca -0.08 1.42 0.01 0.00 -0.53 0.00 0.00 54.79 55.60 2d89 n ASP 89 Cb 0.20 -0.50 0.10 0.00 -0.64 0.00 0.00 41.12 40.28 2d89 n ASP 89 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 2d89 h MET 90 N 0.00 0.15 -0.03 -1.24 2.86 -1.62 -1.99 114.93 113.06 2d89 h MET 90 Ca 0.49 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.11 2d89 h MET 90 Cb 0.97 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 2d89 h MET 90 CO -0.80 0.10 -0.01 0.28 1.06 0.00 0.00 176.91 177.54 2d89 h VAL 91 N 0.15 1.32 -0.81 -2.22 2.07 0.11 -3.28 116.25 113.59 2d89 h VAL 91 Ca 0.32 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.93 2d89 h VAL 91 Cb 0.50 1.92 -0.11 0.00 -1.52 0.00 0.00 31.29 32.09 2d89 h VAL 91 CO -0.49 0.26 -0.56 -0.07 0.02 0.00 0.00 177.57 176.73 2d89 h LEU 92 N -0.32 -2.00 0.00 2.57 3.38 -0.54 -3.41 115.31 114.99 2d89 h LEU 92 Ca 0.01 0.30 -0.46 0.00 0.09 0.00 0.00 57.88 57.82 2d89 h LEU 92 Cb 0.43 0.88 0.06 0.00 0.09 0.00 0.00 40.66 42.12 2d89 h LEU 92 CO 0.00 -0.29 0.05 0.00 0.09 0.00 0.00 178.44 178.30 2d89 n LEU 93 N -5.31 0.00 -0.02 1.67 -0.00 -0.81 -5.08 117.00 107.45 2d89 n LEU 93 Ca 0.01 -2.19 -0.01 0.00 -0.00 0.00 0.00 56.01 53.82 2d89 n LEU 93 Cb 0.30 -0.55 -0.00 0.00 -0.00 0.00 0.00 43.42 43.16 2d89 n LEU 93 CO -0.10 -0.88 -0.08 0.00 -0.00 0.00 0.00 177.39 176.33 2d89 h ALA 94 N -0.35 0.00 -3.32 1.47 0.00 -1.81 -3.45 119.26 111.79 2d89 h ALA 94 Ca -0.30 -0.27 -0.65 0.00 0.00 0.00 0.00 54.91 53.70 2d89 h ALA 94 Cb 1.20 0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.87 2d89 h ALA 94 CO 0.36 0.11 -0.71 0.42 0.00 0.00 0.00 179.25 179.43 2d89 s ILE 95 N -1.30 3.56 0.02 0.00 -1.09 -1.26 -4.96 121.20 116.17 2d89 s ILE 95 Ca -0.03 -0.48 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2d89 s ILE 95 Cb 0.00 -2.53 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 2d89 s ILE 95 CO 0.05 0.51 0.02 -0.81 -1.23 0.00 0.00 174.94 173.48 2d89 n PRO 96 N 3.48 -1.06 -3.31 2.79 -0.04 -1.26 -4.98 135.00 130.61 2d89 n PRO 96 Ca -0.18 -0.03 -0.46 0.00 -0.04 0.00 0.00 63.50 62.79 2d89 n PRO 96 Cb 0.53 -0.03 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 2d89 n PRO 96 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2d89 s ASP 97 N -1.57 6.29 0.16 3.54 1.01 -1.26 -4.95 116.67 119.89 2d89 s ASP 97 Ca 0.01 -1.96 -0.14 0.00 0.71 0.00 0.00 52.55 51.18 2d89 s ASP 97 Cb -0.00 -2.21 0.15 0.00 1.01 0.00 0.00 42.92 41.87 2d89 s ASP 97 CO 0.01 -0.81 1.11 1.17 0.21 0.00 0.00 175.17 176.86 2d89 n LYS 98 N 5.01 -0.19 -0.02 8.23 4.81 -1.26 0.73 118.16 135.47 2d89 n LYS 98 Ca -0.09 1.10 -0.10 0.00 -0.87 0.00 0.00 58.31 58.35 2d89 n LYS 98 Cb 0.41 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.96 0.21 3.14 3.38 -1.92 -0.59 115.31 118.57 2d89 h LEU 99 Ca 0.23 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2d89 h LEU 99 Cb 0.41 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2d89 h LEU 99 CO -0.71 -0.34 -0.30 0.74 0.09 0.00 0.00 178.44 177.92 2d89 h THR 100 N -0.35 0.00 -0.62 0.22 2.02 -0.09 -0.54 112.91 113.56 2d89 h THR 100 Ca 0.11 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.35 2d89 h THR 100 Cb 0.53 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 2d89 h THR 100 CO -0.38 0.00 -0.53 0.58 0.37 0.00 0.00 175.52 175.56 2d89 h VAL 101 N -0.54 0.00 -0.72 3.16 2.07 -1.01 0.90 116.25 120.12 2d89 h VAL 101 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.65 2d89 h VAL 101 Cb 0.49 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.14 2d89 h VAL 101 CO -0.09 0.00 0.06 0.24 0.02 0.00 0.00 177.57 177.81 2d89 h MET 102 N -0.21 0.15 -0.36 1.57 2.07 -1.00 -0.52 114.93 116.63 2d89 h MET 102 Ca 0.10 -0.01 0.08 0.00 -2.07 0.00 0.00 59.70 57.80 2d89 h MET 102 Cb 0.47 -0.03 -0.08 0.00 -1.87 0.00 0.00 31.60 30.09 2d89 h MET 102 CO -0.69 0.10 -0.18 1.15 1.07 0.00 0.00 176.91 178.36 2d89 h THR 103 N 0.16 0.46 0.02 2.22 2.02 0.84 -1.49 112.91 117.13 2d89 h THR 103 Ca 0.40 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.58 2d89 h THR 103 Cb 0.68 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2d89 h THR 103 CO -0.59 0.00 -0.01 0.22 0.37 0.00 0.00 175.52 175.51 2d89 h TYR 104 N -0.13 -0.03 -0.30 3.16 3.20 -0.32 -3.11 116.97 119.44 2d89 h TYR 104 Ca 0.18 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2d89 h TYR 104 Cb 0.40 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.61 2d89 h TYR 104 CO -0.40 -0.02 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.49 2d89 h LEU 105 N -0.03 -1.77 -0.88 2.82 3.38 -0.60 -0.04 115.31 118.19 2d89 h LEU 105 Ca -0.00 0.23 0.30 0.00 0.09 0.00 0.00 57.88 58.49 2d89 h LEU 105 Cb 0.03 0.71 -0.16 0.00 0.09 0.00 0.00 40.66 41.33 2d89 h LEU 105 CO 0.00 -0.43 0.21 -1.22 0.09 0.00 0.00 178.44 177.09 2d89 n TYR 106 N -5.40 0.76 0.23 1.13 4.01 -0.62 -0.11 117.16 117.15 2d89 n TYR 106 Ca -0.04 1.05 -0.17 0.00 -0.16 0.00 0.00 57.90 58.58 2d89 n TYR 106 Cb 0.36 -1.28 -0.09 0.00 -0.31 0.00 0.00 39.34 38.01 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 -0.86 -0.45 -0.72 1.08 -1.01 0.50 115.11 113.66 2d89 h GLN 107 Ca 0.62 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.97 2d89 h GLN 107 Cb 1.48 0.19 -0.10 0.00 -0.05 0.00 0.00 27.48 29.00 2d89 h GLN 107 CO -0.76 -0.57 -0.28 0.82 -0.95 0.00 0.00 178.83 177.08 2d89 h ILE 108 N -0.89 0.27 -0.66 2.54 5.03 -0.45 0.20 117.51 123.55 2d89 h ILE 108 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 2d89 h ILE 108 Cb 0.80 0.27 -0.03 0.00 -3.03 0.00 0.00 36.82 34.83 2d89 h ILE 108 CO -0.12 0.00 0.39 -0.09 -0.68 0.00 0.00 178.15 177.65 2d89 h ARG 109 N -0.19 0.89 -0.26 2.37 2.43 -1.17 -2.62 114.38 115.82 2d89 h ARG 109 Ca 0.20 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2d89 h ARG 109 Cb 0.51 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2d89 h ARG 109 CO -0.56 0.63 0.08 0.00 -1.51 0.00 0.00 179.97 178.61 2d89 h ALA 110 N 1.52 0.35 0.26 2.80 0.00 0.24 0.41 119.26 124.84 2d89 h ALA 110 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2d89 h ALA 110 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2d89 h ALA 110 CO -0.04 -0.02 -0.44 1.25 0.00 0.00 0.00 179.25 179.99 2d89 h HIS 111 N 0.26 -1.26 0.67 0.00 -0.00 -0.37 -3.25 115.15 111.21 2d89 h HIS 111 Ca 0.09 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 2d89 h HIS 111 Cb 0.24 0.51 0.01 0.00 -0.00 0.00 0.00 27.41 28.17 2d89 h HIS 111 CO 0.00 -0.54 -0.32 0.74 -0.00 0.00 0.00 177.93 177.81 2d89 h PHE 112 N -0.75 -0.83 -3.41 5.26 0.04 -1.53 -3.42 116.94 112.29 2d89 h PHE 112 Ca -0.03 -0.02 -0.59 0.00 2.80 0.00 0.00 57.97 60.13 2d89 h PHE 112 Cb 0.69 0.27 -0.09 0.00 2.20 0.00 0.00 35.95 39.03 2d89 h PHE 112 CO -0.33 -0.50 0.05 0.45 -0.60 0.00 0.00 178.31 177.37 2d89 s SER 113 N -4.53 6.68 -0.91 2.17 0.15 0.14 -5.01 113.70 112.39 2d89 s SER 113 Ca -0.14 0.82 -0.23 0.00 0.70 0.00 0.00 55.95 57.10 2d89 s SER 113 Cb 0.01 -2.33 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 2d89 s SER 113 CO 0.43 -0.21 1.33 -0.94 1.20 0.00 0.00 173.24 175.05 2d89 s SER 114 N 1.09 6.41 0.00 5.45 1.04 -1.25 -3.84 113.70 122.61 2d89 s SER 114 Ca 0.28 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2d89 s SER 114 Cb -0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2d89 s SER 114 CO 0.11 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2d89 n GLY 115 N 6.22 0.26 3.77 7.32 0.00 -1.26 -5.01 105.19 116.49 2d89 n GLY 115 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 3.13 0.20 1.61 0.04 -1.26 -4.97 135.00 133.76 2d89 s PRO 116 Ca 0.00 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 2d89 s PRO 116 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2d89 s PRO 116 CO 0.00 -1.01 0.39 -1.12 0.04 0.00 0.00 177.00 175.30 2d89 s SER 117 N -2.10 6.38 -0.15 6.66 0.01 -1.26 -5.05 113.70 118.19 2d89 s SER 117 Ca 0.70 0.37 -0.13 0.00 1.31 0.00 0.00 55.95 58.21 2d89 s SER 117 Cb -0.22 -2.00 -0.06 0.00 0.21 0.00 0.00 66.02 63.94 2d89 s SER 117 CO 0.33 -0.04 -0.27 -0.24 0.41 0.00 0.00 173.24 173.42 2d89 n SER 118 N -0.71 1.65 0.00 2.44 2.88 -1.26 -5.30 113.62 113.32 2d89 n SER 118 Ca -0.05 0.28 0.05 0.00 -1.33 0.00 0.00 58.87 57.81 2d89 n SER 118 Cb 0.54 -0.64 0.28 0.00 -0.75 0.00 0.00 64.21 63.64 2d89 n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42