#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 4.83 0.25 1.61 1.04 -1.26 -5.01 113.70 115.17 2d89 s SER 2 Ca 0.00 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 2d89 s SER 2 Cb 0.00 -1.56 0.51 0.00 0.10 0.00 0.00 66.02 65.06 2d89 s SER 2 CO 0.00 0.26 1.71 0.77 0.98 0.00 0.00 173.24 176.96 2d89 h SER 3 N 6.04 0.21 -5.00 7.02 4.64 -1.99 -3.48 113.55 120.99 2d89 h SER 3 Ca -0.39 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2d89 h SER 3 Cb 1.19 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2d89 h SER 3 CO 0.59 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 2d89 n GLY 4 N -1.34 3.10 0.13 -0.77 0.00 -1.26 -4.90 105.19 100.15 2d89 n GLY 4 Ca 0.16 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 2d89 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d89 h SER 5 N 0.00 0.42 -3.05 1.61 0.02 -1.97 -3.39 113.55 107.19 2d89 h SER 5 Ca 0.00 -0.67 -0.75 0.00 -0.84 0.00 0.00 61.79 59.53 2d89 h SER 5 Cb 0.00 -0.12 -0.22 0.00 0.14 0.00 0.00 62.40 62.19 2d89 h SER 5 CO 0.00 1.03 0.59 -0.44 -1.14 0.00 0.00 176.83 176.87 2d89 s SER 6 N -6.45 6.85 0.00 3.07 0.01 -1.26 -4.77 113.70 111.15 2d89 s SER 6 Ca -0.14 -2.66 0.00 0.00 1.31 0.00 0.00 55.95 54.46 2d89 s SER 6 Cb 0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2d89 s SER 6 CO 0.78 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2d89 n GLY 7 N 4.32 -1.75 0.00 3.44 0.00 -1.26 -4.86 105.19 105.07 2d89 n GLY 7 Ca 0.22 0.93 0.07 0.00 0.00 0.00 0.00 46.02 47.24 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 0.32 0.36 1.61 -0.04 -1.26 -3.59 135.00 132.40 2d89 n PRO 8 Ca 0.00 0.09 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 2d89 n PRO 8 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2d89 n PRO 8 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2d89 h ASN 9 N 0.00 -1.14 -3.94 3.54 4.21 -1.99 -3.42 115.58 112.83 2d89 h ASN 9 Ca 0.00 0.07 -0.51 0.00 1.21 0.00 0.00 56.30 57.08 2d89 h ASN 9 Cb 0.08 0.35 0.05 0.00 -1.12 0.00 0.00 38.32 37.68 2d89 h ASN 9 CO 0.00 -0.66 0.50 0.00 -1.29 0.00 0.00 177.43 175.98 2d89 s ALA 10 N -5.96 3.16 -2.03 -0.83 0.00 -1.24 -4.91 121.76 109.95 2d89 s ALA 10 Ca -0.18 0.95 0.10 0.00 0.00 0.00 0.00 51.96 52.83 2d89 s ALA 10 Cb 0.04 -3.37 0.51 0.00 0.00 0.00 0.00 23.12 20.30 2d89 s ALA 10 CO 0.61 -0.50 1.34 -1.13 0.00 0.00 0.00 175.76 176.08 2d89 n SER 11 N 0.10 0.35 -0.05 0.00 3.41 -1.26 -3.62 113.62 112.54 2d89 n SER 11 Ca 0.04 -1.76 -0.21 0.00 -0.26 0.00 0.00 58.87 56.68 2d89 n SER 11 Cb 0.47 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.25 2d89 n SER 11 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2d89 h GLN 12 N 0.42 0.11 -1.10 4.33 4.15 -1.93 -3.36 115.11 117.73 2d89 h GLN 12 Ca 0.00 -0.19 0.34 0.00 0.77 0.00 0.00 58.65 59.56 2d89 h GLN 12 Cb 0.09 0.07 -0.13 0.00 0.21 0.00 0.00 27.48 27.73 2d89 h GLN 12 CO 0.00 1.09 0.67 0.77 -1.93 0.00 0.00 178.83 179.44 2d89 h SER 13 N -0.60 0.43 0.30 -0.69 0.02 -1.84 -1.68 113.55 109.49 2d89 h SER 13 Ca -0.34 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2d89 h SER 13 Cb 1.56 0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2d89 h SER 13 CO -0.08 -0.08 -0.14 0.25 -1.14 0.00 0.00 176.83 175.64 2d89 h LEU 14 N 0.29 -0.34 -0.97 5.07 5.85 -1.77 0.27 115.31 123.70 2d89 h LEU 14 Ca 0.72 0.01 0.32 0.00 0.84 0.00 0.00 57.88 59.77 2d89 h LEU 14 Cb 1.86 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.81 2d89 h LEU 14 CO -0.47 -0.24 0.35 0.25 -0.34 0.00 0.00 178.44 177.99 2d89 h LEU 15 N -0.42 0.08 -0.05 2.25 5.85 -1.48 0.28 115.31 121.82 2d89 h LEU 15 Ca -0.04 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2d89 h LEU 15 Cb 0.31 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2d89 h LEU 15 CO 0.07 -0.30 -0.03 0.58 -0.34 0.00 0.00 178.44 178.42 2d89 h VAL 16 N 0.11 1.34 -0.77 1.05 2.07 -1.26 -2.66 116.25 116.13 2d89 h VAL 16 Ca 0.70 -1.08 0.17 0.00 0.82 0.00 0.00 66.70 67.31 2d89 h VAL 16 Cb 1.63 1.96 -0.14 0.00 -1.52 0.00 0.00 31.29 33.22 2d89 h VAL 16 CO -0.76 0.29 -0.05 -0.25 0.02 0.00 0.00 177.57 176.83 2d89 h TRP 17 N -0.29 -0.15 0.21 1.57 7.01 0.32 0.13 115.95 124.74 2d89 h TRP 17 Ca 0.01 0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2d89 h TRP 17 Cb 0.49 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 2d89 h TRP 17 CO 0.08 -0.28 -0.10 0.00 -2.79 0.00 0.00 178.44 175.35 2d89 h LYS 19 N -0.34 0.00 0.26 0.00 1.57 -1.12 0.19 116.57 117.13 2d89 h LYS 19 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2d89 h LYS 19 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2d89 h LYS 19 CO 0.05 0.00 -0.13 1.49 -0.57 0.00 0.00 179.45 180.29 2d89 h GLU 20 N 0.00 -0.34 0.00 3.15 4.81 -0.54 -0.09 114.58 121.57 2d89 h GLU 20 Ca 0.31 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2d89 h GLU 20 Cb 2.22 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.67 2d89 h GLU 20 CO -0.00 -0.07 -0.02 -0.39 -0.73 0.00 0.00 179.01 177.79 2d89 h VAL 21 N -1.02 0.55 -0.36 0.32 -1.51 -0.29 -0.99 116.25 112.96 2d89 h VAL 21 Ca -0.04 -0.09 -0.09 0.00 -1.23 0.00 0.00 66.70 65.25 2d89 h VAL 21 Cb 0.42 1.06 -0.05 0.00 -2.13 0.00 0.00 31.29 30.59 2d89 h VAL 21 CO 0.06 0.02 0.02 0.35 -1.23 0.00 0.00 177.57 176.80 2d89 n THR 22 N -3.83 2.46 0.21 7.19 -2.24 -0.43 -4.59 114.28 113.05 2d89 n THR 22 Ca -0.03 -2.10 0.05 0.00 -2.27 0.00 0.00 64.05 59.70 2d89 n THR 22 Cb 0.11 -0.29 0.46 0.00 -2.10 0.00 0.00 70.33 68.50 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 1.66 0.00 -1.45 -0.78 2.10 0.42 -2.95 116.57 115.57 2d89 h LYS 23 Ca 0.11 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 58.10 2d89 h LYS 23 Cb 1.64 0.00 -0.35 0.00 -0.90 0.00 0.00 32.23 32.62 2d89 h LYS 23 CO 0.35 0.28 0.12 0.09 -2.00 0.00 0.00 179.45 178.28 2d89 n ASN 24 N -4.08 6.19 -4.75 7.07 3.02 -1.26 -5.00 115.26 116.44 2d89 n ASN 24 Ca -0.02 -3.78 -0.32 0.00 -0.03 0.00 0.00 54.58 50.43 2d89 n ASN 24 Cb 0.34 -0.73 -0.08 0.00 -0.61 0.00 0.00 39.78 38.70 2d89 n ASN 24 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2d89 s TYR 25 N -3.78 1.92 -0.14 3.10 1.51 -1.11 -5.14 117.35 113.71 2d89 s TYR 25 Ca 0.53 -0.93 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 2d89 s TYR 25 Cb 0.43 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 2d89 s TYR 25 CO -0.19 0.24 -0.18 1.03 -1.11 0.00 0.00 175.55 175.33 2d89 s ARG 26 N -3.87 3.16 -1.04 -0.62 3.00 -1.26 -4.64 118.95 113.68 2d89 s ARG 26 Ca 0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 55.73 55.02 2d89 s ARG 26 Cb 0.02 -2.53 0.00 0.00 0.00 0.00 0.00 34.95 32.44 2d89 s ARG 26 CO 0.05 0.05 0.15 0.41 0.00 0.00 0.00 175.30 175.96 2d89 n GLY 27 N 3.93 -0.12 3.07 -3.53 0.00 -1.26 -4.98 105.19 102.30 2d89 n GLY 27 Ca -0.19 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.76 3.55 -0.27 1.61 1.01 -1.26 -4.97 120.40 117.32 2d89 s VAL 28 Ca 0.08 -3.11 0.02 0.00 0.00 0.00 0.00 61.98 58.97 2d89 s VAL 28 Cb -0.03 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 33.08 2d89 s VAL 28 CO 0.09 -0.88 -0.07 -0.75 0.00 0.00 0.00 175.10 173.49 2d89 s LYS 29 N -0.21 1.95 -1.19 2.72 2.47 -1.26 -4.96 119.74 119.24 2d89 s LYS 29 Ca 0.18 -1.32 -0.10 0.00 -1.56 0.00 0.00 55.97 53.17 2d89 s LYS 29 Cb -0.20 -2.84 0.21 0.00 -1.46 0.00 0.00 37.83 33.54 2d89 s LYS 29 CO -0.03 -0.64 1.53 -0.89 0.16 0.00 0.00 175.35 175.48 2d89 n ILE 30 N 4.48 4.54 0.08 5.43 -0.00 -1.26 -4.73 119.36 127.89 2d89 n ILE 30 Ca -0.11 -4.96 -0.05 0.00 -0.00 0.00 0.00 62.75 57.63 2d89 n ILE 30 Cb 0.43 -2.38 -0.08 0.00 -0.00 0.00 0.00 39.64 37.60 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 3.96 1.60 -4.80 1.39 1.35 -1.96 -3.48 112.91 110.97 2d89 h THR 31 Ca 0.30 -3.19 -0.49 0.00 -0.55 0.00 0.00 66.41 62.48 2d89 h THR 31 Cb 0.75 2.75 -0.13 0.00 -1.73 0.00 0.00 68.15 69.78 2d89 h THR 31 CO 1.34 0.89 -0.49 0.20 -0.25 0.00 0.00 175.52 177.22 2d89 s ASN 32 N -6.69 1.80 -0.17 5.36 0.01 -1.26 -5.06 114.94 108.93 2d89 s ASN 32 Ca 0.01 -1.77 0.16 0.00 -0.71 0.00 0.00 52.86 50.55 2d89 s ASN 32 Cb 0.10 0.57 0.37 0.00 0.41 0.00 0.00 41.25 42.69 2d89 s ASN 32 CO 0.81 -1.07 1.22 0.49 -1.51 0.00 0.00 177.10 177.04 2d89 n PHE 33 N -0.65 0.19 0.00 2.20 3.72 -1.26 -4.41 117.46 117.25 2d89 n PHE 33 Ca 0.07 -1.15 0.00 0.00 -0.05 0.00 0.00 57.45 56.32 2d89 n PHE 33 Cb 0.62 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 -1.23 0.00 0.14 4.37 -2.24 -1.26 -4.53 114.28 109.52 2d89 n THR 34 Ca 0.19 0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.76 2d89 n THR 34 Cb 0.71 -0.90 -0.16 0.00 -2.10 0.00 0.00 70.33 67.89 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 1.25 -0.94 4.28 1.35 -1.91 -2.01 112.91 114.93 2d89 h THR 35 Ca 0.00 -2.67 0.27 0.00 -0.55 0.00 0.00 66.41 63.47 2d89 h THR 35 Cb 0.00 3.02 -0.04 0.00 -1.73 0.00 0.00 68.15 69.41 2d89 h THR 35 CO 0.00 0.81 0.92 -1.28 -0.25 0.00 0.00 175.52 175.72 2d89 h SER 36 N 0.12 0.00 0.00 5.36 0.87 -1.91 0.45 113.55 118.44 2d89 h SER 36 Ca -0.26 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 2d89 h SER 36 Cb 2.14 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.10 2d89 h SER 36 CO 0.26 0.00 -1.50 0.79 -0.53 0.00 0.00 176.83 175.85 2d89 n TRP 37 N -3.62 0.00 -0.34 2.24 7.02 -1.24 -4.51 117.44 117.00 2d89 n TRP 37 Ca 0.20 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.87 2d89 n TRP 37 Cb 1.23 -0.27 0.36 0.00 -2.42 0.00 0.00 31.31 30.22 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 -1.92 -0.07 0.06 -0.99 0.63 0.16 -0.18 116.66 114.34 2d89 n ARG 38 Ca -0.03 1.46 -0.13 0.00 -0.92 0.00 0.00 57.85 58.23 2d89 n ARG 38 Cb 0.33 -2.38 -0.09 0.00 0.45 0.00 0.00 32.46 30.77 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 -0.15 0.00 6.15 7.08 -1.81 -3.45 115.58 123.39 2d89 h ASN 39 Ca 0.66 -0.34 0.00 0.00 -3.08 0.00 0.00 56.30 53.54 2d89 h ASN 39 Cb 1.49 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 37.77 2d89 h ASN 39 CO -0.89 0.29 0.00 0.61 -2.08 0.00 0.00 177.43 175.36 2d89 n GLY 40 N 0.07 1.93 0.02 9.14 0.00 0.75 -3.72 105.19 113.38 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 -1.01 0.99 3.38 -1.80 -3.22 115.31 113.65 2d89 h LEU 41 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 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 0.20 0.58 0.28 0.09 0.00 0.00 178.44 179.60 2d89 h SER 42 N -0.37 0.59 0.36 -0.43 0.02 -1.93 0.25 113.55 112.04 2d89 h SER 42 Ca 0.00 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2d89 h SER 42 Cb 0.03 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2d89 h SER 42 CO 0.00 -0.02 -0.32 -0.26 -1.14 0.00 0.00 176.83 175.08 2d89 h PHE 43 N 0.44 -0.87 -0.49 3.45 0.04 -1.93 0.13 116.94 117.72 2d89 h PHE 43 Ca 0.69 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 61.39 2d89 h PHE 43 Cb 1.47 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.93 2d89 h PHE 43 CO -0.01 -0.47 0.00 0.00 -0.60 0.00 0.00 178.31 177.24 2d89 h ALA 45 N 1.23 0.34 0.56 0.00 0.00 -0.26 -1.60 119.26 119.53 2d89 h ALA 45 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2d89 h ALA 45 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2d89 h ALA 45 CO 0.02 -0.16 -0.48 0.82 0.00 0.00 0.00 179.25 179.45 2d89 h ILE 46 N 0.34 0.05 -0.67 0.00 2.04 -0.60 0.10 117.51 118.77 2d89 h ILE 46 Ca 0.10 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.14 2d89 h ILE 46 Cb 0.01 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 2d89 h ILE 46 CO -0.02 0.00 0.47 0.25 0.00 0.00 0.00 178.15 178.86 2d89 h LEU 47 N -1.03 0.10 -0.36 1.44 5.85 -1.48 0.16 115.31 119.98 2d89 h LEU 47 Ca -0.07 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 2d89 h LEU 47 Cb 0.87 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2d89 h LEU 47 CO -0.02 0.05 -0.80 -0.74 -0.34 0.00 0.00 178.44 176.59 2d89 h HIS 48 N 0.10 0.43 -0.47 1.25 2.76 -0.44 -2.17 115.15 116.62 2d89 h HIS 48 Ca 0.32 -0.21 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 2d89 h HIS 48 Cb 1.14 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.98 2d89 h HIS 48 CO -0.00 0.98 0.09 1.25 -1.30 0.00 0.00 177.93 178.95 2d89 h HIS 49 N 0.19 0.13 0.03 5.26 -0.00 0.19 -1.21 115.15 119.75 2d89 h HIS 49 Ca -0.04 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.20 2d89 h HIS 49 Cb 1.39 0.01 0.01 0.00 -0.00 0.00 0.00 27.41 28.82 2d89 h HIS 49 CO 0.04 -0.01 -0.63 0.74 -0.00 0.00 0.00 177.93 178.07 2d89 h PHE 50 N 0.22 0.57 -3.03 5.26 0.04 -1.58 -3.42 116.94 115.01 2d89 h PHE 50 Ca 0.23 -0.33 -0.58 0.00 2.80 0.00 0.00 57.97 60.08 2d89 h PHE 50 Cb 0.31 -0.06 -0.40 0.00 2.20 0.00 0.00 35.95 38.00 2d89 h PHE 50 CO -0.23 1.18 -0.76 1.03 -0.60 0.00 0.00 178.31 178.93 2d89 s ARG 51 N -3.01 0.76 0.00 1.51 1.81 -0.82 -4.97 118.95 114.23 2d89 s ARG 51 Ca -0.13 -1.23 0.10 0.00 -1.72 0.00 0.00 55.73 52.75 2d89 s ARG 51 Cb 0.03 -1.90 0.61 0.00 -0.45 0.00 0.00 34.95 33.23 2d89 s ARG 51 CO 0.82 -1.05 1.04 -0.35 -0.68 0.00 0.00 175.30 175.09 2d89 n PRO 52 N 4.54 0.49 -0.55 3.54 -0.04 -0.48 -2.27 135.00 140.23 2d89 n PRO 52 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2d89 n PRO 52 Cb 0.40 -1.32 0.19 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.82 1.77 -0.06 3.54 8.00 -1.26 -4.66 116.55 123.05 2d89 n ASP 53 Ca 0.08 -3.70 -0.08 0.00 0.71 0.00 0.00 54.79 51.80 2d89 n ASP 53 Cb 0.03 -0.50 -0.07 0.00 -0.02 0.00 0.00 41.12 40.57 2d89 n ASP 53 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2d89 n LEU 54 N -1.10 2.16 0.00 0.64 4.77 -0.96 -5.07 117.00 117.43 2d89 n LEU 54 Ca 0.18 -0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 2d89 n LEU 54 Cb 0.70 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2d89 n LEU 54 CO -0.03 0.59 -0.17 -0.38 -1.33 0.00 0.00 177.39 176.07 2d89 n ILE 55 N -2.74 0.00 -1.47 -0.08 -0.00 -1.26 -4.99 119.36 108.82 2d89 n ILE 55 Ca -0.21 -1.79 -0.03 0.00 -0.00 0.00 0.00 62.75 60.72 2d89 n ILE 55 Cb 0.77 0.42 0.20 0.00 -0.00 0.00 0.00 39.64 41.03 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 -1.32 2.38 0.12 4.38 8.00 -1.26 -4.71 116.55 124.14 2d89 n ASP 56 Ca -0.13 -3.79 0.19 0.00 0.71 0.00 0.00 54.79 51.77 2d89 n ASP 56 Cb 0.48 -0.62 0.77 0.00 -0.02 0.00 0.00 41.12 41.72 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 1.01 0.00 0.00 1.24 5.03 -1.94 0.27 116.97 122.58 2d89 h TYR 57 Ca 0.19 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 2d89 h TYR 57 Cb 1.57 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.85 2d89 h TYR 57 CO 0.99 0.00 -0.01 1.57 -1.32 0.00 0.00 178.16 179.40 2d89 h LYS 58 N 0.00 0.00 0.00 1.82 5.09 -1.94 -2.40 116.57 119.13 2d89 h LYS 58 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.83 2d89 h LYS 58 Cb 0.88 0.00 -0.16 0.00 0.10 0.00 0.00 32.23 33.06 2d89 h LYS 58 CO -0.00 0.01 -0.65 0.45 -2.09 0.00 0.00 179.45 177.17 2d89 n SER 59 N -3.17 1.16 -3.35 7.07 2.88 0.90 -5.08 113.62 114.03 2d89 n SER 59 Ca -0.02 -2.65 -0.12 0.00 -1.33 0.00 0.00 58.87 54.75 2d89 n SER 59 Cb 0.11 -0.36 0.06 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.29 0.00 -3.55 2.46 4.77 -0.86 -5.09 117.00 114.44 2d89 n LEU 60 Ca 0.10 -1.12 -0.06 0.00 -0.03 0.00 0.00 56.01 54.89 2d89 n LEU 60 Cb 0.87 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2d89 n LEU 60 CO -0.03 -0.76 0.86 0.20 -1.33 0.00 0.00 177.39 176.34 2d89 s ASN 61 N -3.16 -0.24 0.00 -1.43 0.02 -1.26 -5.01 114.94 103.86 2d89 s ASN 61 Ca 0.35 0.01 0.11 0.00 -1.02 0.00 0.00 52.86 52.31 2d89 s ASN 61 Cb -0.02 0.25 0.66 0.00 0.02 0.00 0.00 41.25 42.17 2d89 s ASN 61 CO 0.23 -0.41 1.10 -0.81 0.02 0.00 0.00 177.10 177.23 2d89 n PRO 62 N -0.13 0.49 0.00 -0.60 -0.04 -1.26 -2.60 135.00 130.86 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 -1.35 0.67 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.85 0.17 -3.98 0.54 -0.00 -1.26 -4.62 117.38 107.37 2d89 n GLN 63 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.75 2d89 n GLN 63 Cb 0.04 -1.50 -0.14 0.00 -0.00 0.00 0.00 30.24 28.63 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 -2.83 4.44 -0.24 2.61 1.01 -1.07 -4.97 116.67 115.61 2d89 s ASP 64 Ca 0.20 -1.11 -0.15 0.00 0.71 0.00 0.00 52.55 52.20 2d89 s ASP 64 Cb 0.19 -1.64 -0.16 0.00 1.01 0.00 0.00 42.92 42.33 2d89 s ASP 64 CO 0.50 -0.17 -0.10 -0.38 0.21 0.00 0.00 175.17 175.23 2d89 n ILE 65 N 4.59 1.55 -0.04 0.77 5.41 -1.26 -3.77 119.36 126.61 2d89 n ILE 65 Ca -0.15 -0.30 -0.14 0.00 1.00 0.00 0.00 62.75 63.16 2d89 n ILE 65 Cb 0.45 -1.88 -0.12 0.00 -0.71 0.00 0.00 39.64 37.38 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 -0.83 0.01 0.45 0.38 3.64 -1.79 -3.22 116.57 115.21 2d89 h LYS 66 Ca -0.55 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.80 2d89 h LYS 66 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2d89 h LYS 66 CO -0.28 0.78 -0.24 1.49 -2.27 0.00 0.00 179.45 178.92 2d89 h GLU 67 N -0.76 -0.62 -0.75 1.90 4.81 -1.89 -0.34 114.58 116.94 2d89 h GLU 67 Ca -0.00 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2d89 h GLU 67 Cb 0.79 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.20 2d89 h GLU 67 CO 0.00 -0.41 -0.36 0.09 -0.73 0.00 0.00 179.01 177.60 2d89 n ASN 68 N -3.83 -0.63 -0.04 1.04 4.13 -1.25 0.83 115.26 115.52 2d89 n ASN 68 Ca -0.08 1.31 -0.10 0.00 1.68 0.00 0.00 54.58 57.39 2d89 n ASN 68 Cb 0.26 -0.24 -0.04 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 0.20 -0.70 6.41 2.35 -1.55 -2.68 115.58 119.61 2d89 h ASN 69 Ca 0.20 -0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.06 2d89 h ASN 69 Cb 0.38 -0.05 -0.09 0.00 0.05 0.00 0.00 38.32 38.62 2d89 h ASN 69 CO -0.72 0.15 0.27 0.50 -1.65 0.00 0.00 177.43 175.98 2d89 h LYS 70 N 0.24 0.43 -0.42 0.81 3.64 0.22 -2.03 116.57 119.46 2d89 h LYS 70 Ca 0.07 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2d89 h LYS 70 Cb -0.02 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 31.61 2d89 h LYS 70 CO -0.02 0.28 -0.38 0.87 -2.27 0.00 0.00 179.45 177.93 2d89 h LYS 71 N 0.44 -0.27 0.38 1.90 1.57 -0.24 -1.37 116.57 118.97 2d89 h LYS 71 Ca 0.37 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2d89 h LYS 71 Cb 0.52 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2d89 h LYS 71 CO -0.37 -0.18 -0.23 0.00 -0.57 0.00 0.00 179.45 178.10 2d89 h ALA 72 N 0.61 -1.08 -0.73 3.86 0.00 -1.36 -2.61 119.26 117.94 2d89 h ALA 72 Ca 0.16 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.12 2d89 h ALA 72 Cb 0.56 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 18.55 2d89 h ALA 72 CO -0.57 -1.06 -0.10 0.66 0.00 0.00 0.00 179.25 178.18 2d89 n TYR 73 N -3.71 0.35 -0.16 0.00 4.01 -0.90 0.22 117.16 116.96 2d89 n TYR 73 Ca -0.07 0.89 -0.05 0.00 -0.16 0.00 0.00 57.90 58.51 2d89 n TYR 73 Cb 0.23 -0.98 0.04 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 0.38 0.20 7.72 1.82 -1.07 0.48 116.42 125.95 2d89 h ASP 74 Ca 0.39 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 57.04 2d89 h ASP 74 Cb 0.69 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.65 2d89 h ASP 74 CO -0.73 0.27 -0.09 1.23 -1.61 0.00 0.00 179.24 178.31 2d89 h GLY 75 N 0.51 -0.28 0.03 -0.78 0.00 0.30 -2.74 103.07 100.10 2d89 h GLY 75 Ca 0.21 0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.72 2d89 h GLY 75 CO -0.13 -0.10 -0.21 0.74 0.00 0.00 0.00 176.54 176.84 2d89 h PHE 76 N -0.94 -0.54 0.00 5.60 0.04 -0.20 0.58 116.94 121.48 2d89 h PHE 76 Ca -0.03 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2d89 h PHE 76 Cb 0.48 0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.92 2d89 h PHE 76 CO 0.07 -0.29 0.00 0.00 -0.60 0.00 0.00 178.31 177.49 2d89 n ALA 77 N -2.86 1.63 0.02 2.45 0.00 0.16 -1.93 120.51 119.97 2d89 n ALA 77 Ca 0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2d89 n ALA 77 Cb 0.29 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 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 0.77 0.89 0.00 0.87 0.50 -3.26 113.55 113.32 2d89 h SER 78 Ca 0.00 -0.54 -0.22 0.00 -1.23 0.00 0.00 61.79 59.80 2d89 h SER 78 Cb 0.15 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 2d89 h SER 78 CO 0.00 1.33 -1.17 0.16 -0.53 0.00 0.00 176.83 176.62 2d89 h ILE 79 N 0.40 1.32 0.00 2.23 3.07 -1.38 -3.47 117.51 119.69 2d89 h ILE 79 Ca -0.07 -3.03 0.00 0.00 1.55 0.00 0.00 64.86 63.31 2d89 h ILE 79 Cb 1.47 2.64 0.00 0.00 -0.27 0.00 0.00 36.82 40.66 2d89 h ILE 79 CO 0.16 0.75 0.00 0.61 -1.05 0.00 0.00 178.15 178.63 2d89 n GLY 80 N 1.40 0.08 3.25 0.16 0.00 -1.16 -5.12 105.19 103.80 2d89 n GLY 80 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.09 4.34 -0.24 -0.61 1.01 -0.81 -4.97 121.20 119.82 2d89 s ILE 81 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 60.65 58.76 2d89 s ILE 81 Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 2d89 s ILE 81 CO 0.00 -0.67 2.18 -1.20 0.00 0.00 0.00 174.94 175.25 2d89 n SER 82 N 4.95 2.94 -4.56 3.58 7.64 -1.26 -3.09 113.62 123.82 2d89 n SER 82 Ca -0.09 0.35 -0.39 0.00 1.01 0.00 0.00 58.87 59.74 2d89 n SER 82 Cb 0.42 -1.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 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 6.09 2.68 -0.09 1.43 1.70 -1.26 -4.83 118.95 124.67 2d89 s ARG 83 Ca 1.03 0.91 -0.26 0.00 -0.47 0.00 0.00 55.73 56.94 2d89 s ARG 83 Cb -0.53 -4.38 -0.26 0.00 -0.57 0.00 0.00 34.95 29.21 2d89 s ARG 83 CO 0.41 -2.64 0.89 -0.07 -1.08 0.00 0.00 175.30 172.81 2d89 h LEU 84 N 16.39 0.14-10.18 -1.89 3.38 -1.96 -3.46 115.31 117.74 2d89 h LEU 84 Ca -0.27 -0.90 -0.49 0.00 0.09 0.00 0.00 57.88 56.31 2d89 h LEU 84 Cb 1.18 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.90 2d89 h LEU 84 CO 1.17 1.03 0.24 -0.22 0.09 0.00 0.00 178.44 180.75 2d89 s LEU 85 N -8.30 3.72 0.02 1.67 2.96 -1.26 -5.08 118.68 112.41 2d89 s LEU 85 Ca -0.17 1.33 0.05 0.00 -0.22 0.00 0.00 54.13 55.12 2d89 s LEU 85 Cb -0.01 -4.24 -0.03 0.00 0.50 0.00 0.00 46.19 42.40 2d89 s LEU 85 CO 0.73 -0.50 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.54 2d89 s GLU 86 N -3.99 2.38 0.04 1.98 8.01 -1.26 -5.04 118.70 120.81 2d89 s GLU 86 Ca 0.55 -0.82 -0.21 0.00 0.01 0.00 0.00 54.97 54.50 2d89 s GLU 86 Cb -0.10 -2.39 -0.15 0.00 -4.31 0.00 0.00 34.13 27.18 2d89 s GLU 86 CO 0.32 0.58 1.34 -1.00 0.01 0.00 0.00 175.26 176.51 2d89 h PRO 87 N 4.50 0.34 -0.20 0.39 0.13 -1.90 -3.25 132.00 132.00 2d89 h PRO 87 Ca -0.48 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2d89 h PRO 87 Cb 1.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2d89 h PRO 87 CO 0.52 0.73 0.13 0.77 -0.23 0.00 0.00 178.00 179.92 2d89 h SER 88 N -0.04 0.23 -0.82 1.44 0.02 -1.91 -2.84 113.55 109.63 2d89 h SER 88 Ca 0.02 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.13 2d89 h SER 88 Cb 0.67 -0.06 -0.16 0.00 0.14 0.00 0.00 62.40 62.99 2d89 h SER 88 CO 0.03 0.17 -0.20 -0.78 -1.14 0.00 0.00 176.83 174.91 2d89 h ASP 89 N 0.27 -0.76 -1.06 3.07 3.58 -1.99 0.67 116.42 120.20 2d89 h ASP 89 Ca 0.07 0.25 0.30 0.00 0.42 0.00 0.00 57.03 58.06 2d89 h ASP 89 Cb -0.03 0.51 -0.12 0.00 1.72 0.00 0.00 39.33 41.41 2d89 h ASP 89 CO -0.02 -0.27 0.65 0.24 -2.88 0.00 0.00 179.24 176.96 2d89 h MET 90 N 0.00 0.38 0.10 0.28 2.86 -1.53 -0.14 114.93 116.88 2d89 h MET 90 Ca 0.39 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.87 2d89 h MET 90 Cb 0.60 -0.09 0.02 0.00 0.06 0.00 0.00 31.60 32.19 2d89 h MET 90 CO -0.84 0.25 -0.60 0.28 1.06 0.00 0.00 176.91 177.05 2d89 h VAL 91 N 0.39 1.58 -0.10 -2.22 2.07 0.19 -3.37 116.25 114.79 2d89 h VAL 91 Ca 0.67 -2.47 0.03 0.00 0.82 0.00 0.00 66.70 65.74 2d89 h VAL 91 Cb 1.61 3.23 -0.06 0.00 -1.52 0.00 0.00 31.29 34.55 2d89 h VAL 91 CO -0.44 0.69 -0.52 -0.07 0.02 0.00 0.00 177.57 177.25 2d89 h LEU 92 N -0.52 -1.64 0.00 2.57 3.38 0.69 -3.43 115.31 116.36 2d89 h LEU 92 Ca -0.10 0.19 -0.41 0.00 0.09 0.00 0.00 57.88 57.65 2d89 h LEU 92 Cb 1.47 0.64 0.10 0.00 0.09 0.00 0.00 40.66 42.96 2d89 h LEU 92 CO 0.11 -0.47 0.19 0.00 0.09 0.00 0.00 178.44 178.36 2d89 n LEU 93 N -5.30 0.00 -0.04 1.67 -0.00 -0.45 -5.08 117.00 107.80 2d89 n LEU 93 Ca -0.06 -1.71 -0.03 0.00 -0.00 0.00 0.00 56.01 54.20 2d89 n LEU 93 Cb 0.37 -0.69 -0.01 0.00 -0.00 0.00 0.00 43.42 43.08 2d89 n LEU 93 CO 0.09 -1.08 -0.26 0.00 -0.00 0.00 0.00 177.39 176.15 2d89 n ALA 94 N -3.19 0.33 -3.13 1.47 0.00 -1.26 -4.82 120.51 109.90 2d89 n ALA 94 Ca -0.16 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.51 2d89 n ALA 94 Cb 0.53 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.76 3.81 0.75 0.00 -1.09 -1.26 -4.99 121.20 116.66 2d89 s ILE 95 Ca -0.11 -0.36 -0.11 0.00 -2.23 0.00 0.00 60.65 57.83 2d89 s ILE 95 Cb 0.02 -2.71 0.05 0.00 -1.58 0.00 0.00 42.46 38.23 2d89 s ILE 95 CO 0.16 0.44 1.09 -2.16 -1.23 0.00 0.00 174.94 173.25 2d89 s PRO 96 N 0.94 2.36 -0.78 2.79 0.04 -1.26 -4.95 135.00 134.13 2d89 s PRO 96 Ca 0.01 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 2d89 s PRO 96 Cb -0.14 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2d89 s PRO 96 CO 0.01 -1.57 1.31 -0.51 0.04 0.00 0.00 177.00 176.28 2d89 s ASP 97 N -3.25 6.21 0.18 6.66 1.11 -1.26 -4.85 116.67 121.47 2d89 s ASP 97 Ca 0.62 -0.60 -0.14 0.00 0.18 0.00 0.00 52.55 52.60 2d89 s ASP 97 Cb -0.18 -2.56 0.17 0.00 1.07 0.00 0.00 42.92 41.42 2d89 s ASP 97 CO 0.53 -1.79 1.21 1.17 1.18 0.00 0.00 175.17 177.48 2d89 n LYS 98 N 9.30 -0.19 -0.28 8.23 4.81 -1.26 0.12 118.16 138.89 2d89 n LYS 98 Ca 0.08 1.20 0.06 0.00 -0.87 0.00 0.00 58.31 58.77 2d89 n LYS 98 Cb 0.49 -1.78 0.16 0.00 0.02 0.00 0.00 35.03 33.92 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 -0.51 0.68 3.14 3.38 -1.91 0.28 115.31 120.37 2d89 h LEU 99 Ca 0.26 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 2d89 h LEU 99 Cb 0.46 0.42 0.01 0.00 0.09 0.00 0.00 40.66 41.64 2d89 h LEU 99 CO -0.77 -0.24 -0.33 0.74 0.09 0.00 0.00 178.44 177.94 2d89 h THR 100 N 0.05 0.00 -0.18 0.22 2.02 0.56 -2.48 112.91 113.10 2d89 h THR 100 Ca 0.43 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.51 2d89 h THR 100 Cb 0.76 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 2d89 h THR 100 CO -0.76 0.00 -0.46 0.58 0.37 0.00 0.00 175.52 175.25 2d89 h VAL 101 N -1.05 0.00 -0.91 3.16 2.07 -0.65 -0.99 116.25 117.89 2d89 h VAL 101 Ca -0.09 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.65 2d89 h VAL 101 Cb 0.70 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.30 2d89 h VAL 101 CO 0.15 0.00 -0.01 0.24 0.02 0.00 0.00 177.57 177.97 2d89 h MET 102 N -0.45 0.05 0.05 1.57 2.07 -0.56 0.11 114.93 117.78 2d89 h MET 102 Ca 0.04 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.69 2d89 h MET 102 Cb 0.55 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 2d89 h MET 102 CO -0.40 0.03 -0.27 1.15 1.07 0.00 0.00 176.91 178.49 2d89 h THR 103 N 0.05 0.40 -0.00 2.22 2.02 -0.72 -2.41 112.91 114.47 2d89 h THR 103 Ca 0.52 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.73 2d89 h THR 103 Cb 0.98 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 2d89 h THR 103 CO -0.84 0.00 -0.27 0.22 0.37 0.00 0.00 175.52 175.00 2d89 h TYR 104 N -0.44 -0.72 -0.67 3.16 3.20 -0.15 -2.85 116.97 118.50 2d89 h TYR 104 Ca 0.05 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.01 2d89 h TYR 104 Cb 0.50 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 2d89 h TYR 104 CO -0.28 -0.36 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.27 2d89 h LEU 105 N -0.41 -1.91 -1.17 2.82 3.38 -0.99 0.45 115.31 117.47 2d89 h LEU 105 Ca 0.06 0.27 0.43 0.00 0.09 0.00 0.00 57.88 58.73 2d89 h LEU 105 Cb 0.50 0.82 -0.14 0.00 0.09 0.00 0.00 40.66 41.92 2d89 h LEU 105 CO -0.23 -0.30 0.72 -1.22 0.09 0.00 0.00 178.44 177.50 2d89 n TYR 106 N -5.17 0.78 0.30 1.13 4.01 -0.93 0.56 117.16 117.84 2d89 n TYR 106 Ca -0.01 0.79 -0.17 0.00 -0.16 0.00 0.00 57.90 58.36 2d89 n TYR 106 Cb 0.28 -1.21 -0.08 0.00 -0.31 0.00 0.00 39.34 38.02 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 0.72 -0.72 1.08 -0.09 0.29 115.11 115.71 2d89 h GLN 107 Ca 0.81 0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 58.03 2d89 h GLN 107 Cb 2.47 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 30.05 2d89 h GLN 107 CO -0.52 -0.46 -0.45 0.82 -0.95 0.00 0.00 178.83 177.28 2d89 h ILE 108 N -0.71 0.10 -0.94 2.54 5.03 0.19 0.25 117.51 123.97 2d89 h ILE 108 Ca -0.07 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.81 2d89 h ILE 108 Cb 0.55 0.10 -0.09 0.00 -3.03 0.00 0.00 36.82 34.35 2d89 h ILE 108 CO 0.11 0.00 0.55 -0.09 -0.68 0.00 0.00 178.15 178.04 2d89 h ARG 109 N -1.10 0.80 -0.25 2.37 1.12 -1.39 -1.62 114.38 114.31 2d89 h ARG 109 Ca -0.09 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 2d89 h ARG 109 Cb 0.89 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 2d89 h ARG 109 CO 0.09 0.53 0.01 0.00 -3.11 0.00 0.00 179.97 177.50 2d89 h ALA 110 N 1.55 0.34 -0.25 2.80 0.00 -0.12 0.23 119.26 123.82 2d89 h ALA 110 Ca 0.49 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.23 2d89 h ALA 110 Cb 0.59 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2d89 h ALA 110 CO -0.31 0.06 -0.52 1.25 0.00 0.00 0.00 179.25 179.73 2d89 h HIS 111 N 0.23 -1.56 -0.03 0.00 -0.00 0.49 -2.78 115.15 111.49 2d89 h HIS 111 Ca 0.07 0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2d89 h HIS 111 Cb 0.39 0.71 -0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2d89 h HIS 111 CO 0.03 -0.49 -0.03 0.74 -0.00 0.00 0.00 177.93 178.18 2d89 h PHE 112 N -0.46 0.10 -3.29 5.26 0.04 -1.53 -3.40 116.94 113.66 2d89 h PHE 112 Ca 0.05 -0.03 -0.74 0.00 2.80 0.00 0.00 57.97 60.05 2d89 h PHE 112 Cb 0.60 -0.02 -0.25 0.00 2.20 0.00 0.00 35.95 38.48 2d89 h PHE 112 CO -0.65 0.54 -0.34 0.45 -0.60 0.00 0.00 178.31 177.71 2d89 s SER 113 N -5.78 6.00 1.06 2.17 0.15 0.82 -5.07 113.70 113.04 2d89 s SER 113 Ca -0.15 -1.52 -0.14 0.00 0.70 0.00 0.00 55.95 54.84 2d89 s SER 113 Cb 0.02 -2.13 0.15 0.00 -1.71 0.00 0.00 66.02 62.36 2d89 s SER 113 CO 0.69 -0.67 0.63 -0.24 1.20 0.00 0.00 173.24 174.85 2d89 n SER 114 N 5.12 -1.56 -3.57 5.45 2.88 -1.14 -3.89 113.62 116.93 2d89 n SER 114 Ca -0.12 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2d89 n SER 114 Cb 0.42 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2d89 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d89 n GLY 115 N 1.24 -2.05 3.67 0.46 0.00 -1.26 -4.91 105.19 102.34 2d89 n GLY 115 Ca 0.05 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 4.21 -0.15 1.61 0.04 -1.26 -4.89 135.00 134.57 2d89 s PRO 116 Ca 0.00 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.98 2d89 s PRO 116 Cb 0.00 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 2d89 s PRO 116 CO 0.00 -0.76 0.09 -1.12 0.04 0.00 0.00 177.00 175.25 2d89 s SER 117 N 2.70 5.95 -0.66 6.66 0.01 -1.26 -5.06 113.70 122.04 2d89 s SER 117 Ca 0.67 0.26 -0.17 0.00 1.31 0.00 0.00 55.95 58.02 2d89 s SER 117 Cb -0.30 -1.94 0.14 0.00 0.21 0.00 0.00 66.02 64.13 2d89 s SER 117 CO 0.25 0.30 0.69 -0.55 0.41 0.00 0.00 173.24 174.34 2d89 s SER 118 N -0.36 6.35 0.00 2.44 0.15 -1.26 -5.16 113.70 115.86 2d89 s SER 118 Ca 0.10 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 54.88 2d89 s SER 118 Cb -0.12 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2d89 s SER 118 CO 0.01 -0.92 0.29 0.61 1.20 0.00 0.00 173.24 174.44