#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat s SER 2 N 0.00 0.03 0.11 1.61 1.04 -1.26 -5.16 113.70 110.07 2dat s SER 2 Ca 0.00 -0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.35 2dat s SER 2 Cb 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 2dat s SER 2 CO 0.00 -0.01 0.20 -0.44 0.98 0.00 0.00 173.24 173.97 2dat s SER 3 N 0.09 0.12 0.00 7.02 0.01 -1.26 -5.10 113.70 114.59 2dat s SER 3 Ca -0.01 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2dat s SER 3 Cb -0.01 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dat s SER 3 CO -0.00 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2dat n GLY 4 N -0.09 -0.92 3.39 3.44 0.00 -1.26 -5.15 105.19 104.60 2dat n GLY 4 Ca -0.13 0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2dat n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dat n SER 5 N 0.00 -2.14 -2.91 1.61 7.64 -1.26 -4.86 113.62 111.71 2dat n SER 5 Ca 0.00 0.44 -0.34 0.00 1.01 0.00 0.00 58.87 59.98 2dat n SER 5 Cb 0.00 -1.16 -0.01 0.00 -1.01 0.00 0.00 64.21 62.03 2dat n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dat n SER 6 N -0.27 7.13 0.00 6.43 3.41 -1.26 -4.83 113.62 124.23 2dat n SER 6 Ca 0.07 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.25 2dat n SER 6 Cb 0.52 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2dat n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dat n GLY 7 N 0.50 -2.13 3.83 5.00 0.00 -1.26 -4.70 105.19 106.44 2dat n GLY 7 Ca 0.52 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 2dat n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 8 N -2.45 6.92 0.18 1.61 0.01 -1.26 -5.04 113.70 113.66 2dat s SER 8 Ca 0.00 1.19 -0.30 0.00 1.31 0.00 0.00 55.95 58.14 2dat s SER 8 Cb 0.00 -2.33 -0.08 0.00 0.21 0.00 0.00 66.02 63.82 2dat s SER 8 CO 0.00 0.11 1.32 -2.16 0.41 0.00 0.00 173.24 172.92 2dat s PRO 9 N -1.84 4.38 0.34 12.44 0.04 -1.26 -4.94 135.00 144.16 2dat s PRO 9 Ca 0.38 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 2dat s PRO 9 Cb -0.16 -3.21 -0.16 0.00 0.04 0.00 0.00 34.50 31.01 2dat s PRO 9 CO 0.20 -0.28 0.25 0.09 0.04 0.00 0.00 177.00 177.29 2dat n ASN 10 N 2.91 -2.24 -4.69 6.66 3.02 -1.26 -4.92 115.26 114.74 2dat n ASN 10 Ca 0.07 0.91 -0.29 0.00 -0.03 0.00 0.00 54.58 55.24 2dat n ASN 10 Cb 0.43 -0.92 0.16 0.00 -0.61 0.00 0.00 39.78 38.84 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dat s PRO 11 N -1.04 0.77 0.51 3.52 0.04 -1.26 -4.79 135.00 132.75 2dat s PRO 11 Ca 0.61 0.65 0.30 0.00 0.04 0.00 0.00 61.00 62.60 2dat s PRO 11 Cb -0.72 -1.77 1.25 0.00 0.04 0.00 0.00 34.50 33.30 2dat s PRO 11 CO 0.60 -2.53 1.95 -1.00 0.04 0.00 0.00 177.00 176.06 2dat h PRO 12 N -1.75 0.00 -0.01 0.56 0.13 -1.99 -1.82 132.00 127.12 2dat h PRO 12 Ca -0.52 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.39 2dat h PRO 12 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2dat h PRO 12 CO 0.56 0.10 -0.91 0.87 -0.23 0.00 0.00 178.00 178.38 2dat h LYS 13 N 0.00 0.39 0.00 0.86 1.79 -1.99 -2.86 116.57 114.75 2dat h LYS 13 Ca -0.00 -0.41 -0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2dat h LYS 13 Cb 0.56 0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2dat h LYS 13 CO 0.01 1.08 -0.11 1.25 -1.08 0.00 0.00 179.45 180.60 2dat h LEU 14 N 0.22 0.00 -0.67 2.94 6.46 -1.89 -3.21 115.31 119.17 2dat h LEU 14 Ca -0.07 -0.08 0.14 0.00 -0.12 0.00 0.00 57.88 57.75 2dat h LEU 14 Cb 1.54 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 41.35 2dat h LEU 14 CO 0.16 0.59 -0.15 0.74 -0.62 0.00 0.00 178.44 179.16 2dat h THR 15 N -1.00 0.34 -0.31 1.05 2.02 -1.50 -0.20 112.91 113.32 2dat h THR 15 Ca -0.01 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2dat h THR 15 Cb 0.18 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 2dat h THR 15 CO -0.00 0.00 -0.08 0.50 0.37 0.00 0.00 175.52 176.31 2dat h LYS 16 N 0.01 -0.00 -0.49 6.66 3.64 -1.67 -2.09 116.57 122.62 2dat h LYS 16 Ca 0.33 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 2dat h LYS 16 Cb 0.51 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.23 2dat h LYS 16 CO -0.68 -0.00 -0.25 0.37 -2.27 0.00 0.00 179.45 176.62 2dat h GLN 17 N -0.00 -0.13 -0.02 1.90 4.15 -1.04 0.10 115.11 120.07 2dat h GLN 17 Ca 0.15 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.61 2dat h GLN 17 Cb 0.23 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2dat h GLN 17 CO -0.32 -0.09 -0.20 0.52 -1.93 0.00 0.00 178.83 176.82 2dat h MET 18 N -0.14 -0.29 0.22 1.69 2.86 -0.99 -2.59 114.93 115.69 2dat h MET 18 Ca 0.23 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2dat h MET 18 Cb 0.49 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2dat h MET 18 CO -0.58 -0.20 -0.40 -0.91 1.06 0.00 0.00 176.91 175.88 2dat h ASN 19 N -0.31 -1.15 -0.82 1.22 2.35 -0.64 -2.63 115.58 113.60 2dat h ASN 19 Ca 0.07 0.12 0.07 0.00 -0.55 0.00 0.00 56.30 56.01 2dat h ASN 19 Cb 0.39 0.41 -0.10 0.00 0.05 0.00 0.00 38.32 39.08 2dat h ASN 19 CO -0.20 -0.50 -0.49 0.00 -1.65 0.00 0.00 177.43 174.59 2dat h ALA 20 N -0.25 -0.45 -0.98 -0.83 0.00 -0.64 0.81 119.26 116.92 2dat h ALA 20 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dat h ALA 20 Cb 0.69 1.31 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2dat h ALA 20 CO -0.17 -0.80 0.00 -0.89 0.00 0.00 0.00 179.25 177.39 2dat n ILE 21 N -4.86 0.00 -0.01 0.00 5.41 -0.99 -1.21 119.36 117.70 2dat n ILE 21 Ca 0.02 1.34 -0.07 0.00 1.00 0.00 0.00 62.75 65.03 2dat n ILE 21 Cb 0.21 -2.02 -0.05 0.00 -0.71 0.00 0.00 39.64 37.07 2dat n ILE 21 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2dat h ILE 22 N 0.00 0.00 -1.17 1.39 1.08 -1.10 0.13 117.51 117.84 2dat h ILE 22 Ca 0.00 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.86 2dat h ILE 22 Cb 0.00 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.65 2dat h ILE 22 CO 0.00 0.00 0.77 -0.67 -0.69 0.00 0.00 178.15 177.56 2dat n ASP 23 N -3.98 0.14 0.06 1.72 2.03 0.28 0.21 116.55 117.01 2dat n ASP 23 Ca -0.03 1.04 -0.22 0.00 0.52 0.00 0.00 54.79 56.10 2dat n ASP 23 Cb 0.19 -0.51 -0.15 0.00 -0.72 0.00 0.00 41.12 39.93 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2dat h THR 24 N 0.00 1.23 0.02 5.18 2.02 0.52 -2.75 112.91 119.13 2dat h THR 24 Ca 0.70 -2.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.35 2dat h THR 24 Cb 2.36 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 71.73 2dat h THR 24 CO -0.31 0.76 -0.01 0.58 0.37 0.00 0.00 175.52 176.91 2dat h VAL 25 N -0.16 1.11 -0.18 3.16 2.07 0.50 0.88 116.25 123.63 2dat h VAL 25 Ca -0.25 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2dat h VAL 25 Cb 1.87 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2dat h VAL 25 CO 0.16 0.10 -0.20 0.40 0.02 0.00 0.00 177.57 178.05 2dat h ILE 26 N -0.20 1.23 0.00 4.57 2.04 -0.65 -2.54 117.51 121.96 2dat h ILE 26 Ca -0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 2dat h ILE 26 Cb 0.19 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2dat h ILE 26 CO 0.00 0.32 -0.60 0.78 0.00 0.00 0.00 178.15 178.66 2dat h ASN 27 N 0.28 0.00 -2.65 1.72 2.35 -1.28 -3.42 115.58 112.58 2dat h ASN 27 Ca 0.05 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.21 2dat h ASN 27 Cb 0.52 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.98 2dat h ASN 27 CO 0.04 0.32 0.59 0.00 -1.65 0.00 0.00 177.43 176.73 2dat n TYR 28 N -3.06 2.11 -4.33 1.19 4.19 0.30 -5.00 117.16 112.57 2dat n TYR 28 Ca 0.00 0.45 -0.24 0.00 3.31 0.00 0.00 57.90 61.42 2dat n TYR 28 Cb 0.68 -2.45 -0.12 0.00 0.49 0.00 0.00 39.34 37.94 2dat n TYR 28 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2dat s LYS 29 N -0.46 1.25 -0.00 2.98 0.00 -1.26 -4.47 119.74 117.79 2dat s LYS 29 Ca 0.68 -1.31 -0.03 0.00 0.00 0.00 0.00 55.97 55.31 2dat s LYS 29 Cb -0.66 -1.47 -0.02 0.00 0.00 0.00 0.00 37.83 35.69 2dat s LYS 29 CO 0.50 0.32 -0.06 -3.47 0.00 0.00 0.00 175.35 172.64 2dat n ASP 30 N 0.68 0.80 -3.12 0.03 2.03 -1.26 -5.06 116.55 110.65 2dat n ASP 30 Ca -0.16 0.12 -0.17 0.00 0.52 0.00 0.00 54.79 55.09 2dat n ASP 30 Cb 0.55 -0.28 0.14 0.00 -0.72 0.00 0.00 41.12 40.81 2dat n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dat n SER 31 N -3.45 -1.27 -2.01 1.67 2.88 -1.24 -4.86 113.62 105.35 2dat n SER 31 Ca -0.06 -0.97 -0.12 0.00 -1.33 0.00 0.00 58.87 56.38 2dat n SER 31 Cb 0.34 -0.59 -0.15 0.00 -0.75 0.00 0.00 64.21 63.06 2dat n SER 31 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dat n SER 32 N -3.96 5.34 0.00 -3.46 7.64 -1.26 -4.32 113.62 113.60 2dat n SER 32 Ca 0.09 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.44 2dat n SER 32 Cb 0.34 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 33 N 2.32 1.76 3.56 0.23 0.00 -1.26 -5.07 105.19 106.73 2dat n GLY 33 Ca 0.41 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2dat n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dat s ARG 34 N 0.00 2.78 0.95 1.61 3.52 -1.26 -4.98 118.95 121.57 2dat s ARG 34 Ca 0.00 0.56 -0.12 0.00 -0.13 0.00 0.00 55.73 56.04 2dat s ARG 34 Cb 0.00 -4.33 0.16 0.00 -1.56 0.00 0.00 34.95 29.21 2dat s ARG 34 CO 0.00 -2.56 1.09 -1.14 -0.81 0.00 0.00 175.30 171.88 2dat s GLN 35 N 6.70 0.85 -0.20 5.12 0.74 -1.26 -3.72 119.66 127.88 2dat s GLN 35 Ca 0.63 0.78 -0.03 0.00 0.05 0.00 0.00 55.36 56.80 2dat s GLN 35 Cb -0.13 -1.76 -0.11 0.00 1.10 0.00 0.00 33.01 32.11 2dat s GLN 35 CO 0.21 -2.51 -0.21 1.28 -0.55 0.00 0.00 175.29 173.51 2dat n LEU 36 N -4.07 2.45 0.31 3.68 4.32 -1.26 -4.42 117.00 118.00 2dat n LEU 36 Ca 0.06 0.02 0.10 0.00 -0.02 0.00 0.00 56.01 56.18 2dat n LEU 36 Cb 0.55 -0.65 0.54 0.00 -1.62 0.00 0.00 43.42 42.24 2dat n LEU 36 CO 0.56 0.69 1.04 0.77 -1.22 0.00 0.00 177.39 179.23 2dat h SER 37 N -0.26 0.00 -0.35 -1.43 4.64 -1.84 -1.18 113.55 113.13 2dat h SER 37 Ca -0.47 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.93 2dat h SER 37 Cb 1.60 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.61 2dat h SER 37 CO -0.16 0.00 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.34 2dat h GLU 38 N 0.00 -0.07 0.00 4.77 5.08 -1.90 0.42 114.58 122.88 2dat h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dat h GLU 38 Cb 1.01 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2dat h GLU 38 CO 0.00 -0.05 0.00 1.33 -1.00 0.00 0.00 179.01 179.29 2dat n VAL 39 N -5.32 0.00 -0.48 3.13 0.24 -0.45 -2.42 118.33 113.03 2dat n VAL 39 Ca 0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.35 2dat n VAL 39 Cb 0.24 -0.42 0.06 0.00 -1.47 0.00 0.00 33.84 32.24 2dat n VAL 39 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dat n PHE 40 N -0.81 0.00 -0.00 6.34 3.72 0.14 -4.81 117.46 122.03 2dat n PHE 40 Ca 0.12 -0.69 -0.00 0.00 -0.05 0.00 0.00 57.45 56.83 2dat n PHE 40 Cb 0.05 -0.09 -0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2dat h ILE 41 N 0.13 0.00 -2.88 4.37 1.08 -0.85 -3.19 117.51 116.17 2dat h ILE 41 Ca 0.00 -0.00 -0.60 0.00 -0.39 0.00 0.00 64.86 63.87 2dat h ILE 41 Cb 0.73 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.38 2dat h ILE 41 CO 0.00 0.00 -0.61 -1.10 -0.69 0.00 0.00 178.15 175.75 2dat s GLN 42 N -1.00 2.70 0.25 2.37 -0.21 -1.26 -3.80 119.66 118.70 2dat s GLN 42 Ca -0.00 -0.92 0.09 0.00 0.02 0.00 0.00 55.36 54.55 2dat s GLN 42 Cb 0.00 -2.55 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 2dat s GLN 42 CO 0.00 0.49 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.12 2dat s LEU 43 N -2.89 3.14 0.41 2.90 1.43 -1.26 -5.00 118.68 117.41 2dat s LEU 43 Ca 0.29 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 2dat s LEU 43 Cb -0.10 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2dat s LEU 43 CO 0.21 0.02 1.19 -2.16 0.23 0.00 0.00 176.35 175.84 2dat s PRO 44 N -3.53 4.00 1.24 1.29 0.04 -1.26 -5.02 135.00 131.76 2dat s PRO 44 Ca 0.30 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 2dat s PRO 44 Cb -0.07 -2.64 0.31 0.00 0.04 0.00 0.00 34.50 32.14 2dat s PRO 44 CO 0.19 -0.38 1.00 0.45 0.04 0.00 0.00 177.00 178.31 2dat s SER 45 N -1.12 0.40 0.23 6.66 0.15 -1.26 -4.84 113.70 113.91 2dat s SER 45 Ca 0.58 1.22 0.12 0.00 0.70 0.00 0.00 55.95 58.58 2dat s SER 45 Cb -0.31 -1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 2dat s SER 45 CO 0.39 -4.52 1.39 0.03 1.20 0.00 0.00 173.24 171.74 2dat h ARG 46 N -2.84 0.00 0.07 5.44 -0.00 -1.96 -3.04 114.38 112.06 2dat h ARG 46 Ca -0.56 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 58.92 2dat h ARG 46 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.31 2dat h ARG 46 CO 0.44 0.67 -0.04 -0.22 0.00 0.00 0.00 179.97 180.83 2dat h LYS 47 N 0.00 -0.10 0.38 0.04 3.64 -1.96 -2.52 116.57 116.05 2dat h LYS 47 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2dat h LYS 47 Cb 1.51 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.33 2dat h LYS 47 CO 0.09 0.37 -0.42 0.93 -2.27 0.00 0.00 179.45 178.15 2dat h GLU 48 N -0.95 -0.78 -2.97 1.90 5.08 -1.95 -3.36 114.58 111.56 2dat h GLU 48 Ca -0.01 0.05 -0.62 0.00 -1.00 0.00 0.00 59.36 57.79 2dat h GLU 48 Cb 0.51 0.18 -0.41 0.00 0.50 0.00 0.00 28.75 29.52 2dat h GLU 48 CO 0.02 -0.52 -0.67 -1.17 -1.00 0.00 0.00 179.01 175.67 2dat s LEU 49 N -9.03 3.98 0.01 1.33 2.96 -1.15 -4.95 118.68 111.83 2dat s LEU 49 Ca -0.14 -3.55 -0.23 0.00 -0.22 0.00 0.00 54.13 49.99 2dat s LEU 49 Cb 0.04 -1.37 -0.17 0.00 0.50 0.00 0.00 46.19 45.19 2dat s LEU 49 CO 0.49 -0.13 1.31 1.55 -1.32 0.00 0.00 176.35 178.25 2dat h PRO 50 N 5.63 0.20 -1.00 0.98 0.13 -1.60 -3.20 132.00 133.15 2dat h PRO 50 Ca 0.14 -0.11 0.40 0.00 -0.87 0.00 0.00 66.00 65.56 2dat h PRO 50 Cb 0.81 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.77 2dat h PRO 50 CO 0.63 0.63 0.52 1.05 -0.23 0.00 0.00 178.00 180.61 2dat h GLU 51 N -0.22 0.04 -0.83 0.86 4.11 -1.92 0.71 114.58 117.34 2dat h GLU 51 Ca 0.01 -0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.63 2dat h GLU 51 Cb 0.60 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 2dat h GLU 51 CO 0.02 0.03 0.29 -0.92 0.07 0.00 0.00 179.01 178.50 2dat h TYR 52 N 0.04 0.47 0.00 2.06 3.20 -1.95 0.84 116.97 121.64 2dat h TYR 52 Ca 0.82 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.74 2dat h TYR 52 Cb 2.13 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 40.32 2dat h TYR 52 CO -0.03 -0.07 0.00 1.88 -1.64 0.00 0.00 178.16 178.30 2dat h TYR 53 N 0.34 0.00 -0.01 -3.82 -1.99 0.26 -1.42 116.97 110.33 2dat h TYR 53 Ca 0.49 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.20 2dat h TYR 53 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 2dat h TYR 53 CO -0.20 0.00 -0.08 0.93 -0.00 0.00 0.00 178.16 178.81 2dat h GLU 54 N 0.00 0.07 0.04 4.88 4.39 0.98 -3.37 114.58 121.57 2dat h GLU 54 Ca 0.00 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 2dat h GLU 54 Cb 0.69 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2dat h GLU 54 CO 0.00 0.75 -0.50 1.37 -1.16 0.00 0.00 179.01 179.47 2dat h LEU 55 N -0.59 0.14 -9.68 1.33 -0.00 -1.35 -3.45 115.31 101.70 2dat h LEU 55 Ca -0.01 -0.90 -0.53 0.00 -0.00 0.00 0.00 57.88 56.44 2dat h LEU 55 Cb 0.77 -0.05 0.05 0.00 -0.00 0.00 0.00 40.66 41.43 2dat h LEU 55 CO 0.02 1.22 0.79 -0.63 -0.00 0.00 0.00 178.44 179.83 2dat s ILE 56 N -2.31 2.73 -0.06 0.15 -1.09 -0.53 -4.96 121.20 115.13 2dat s ILE 56 Ca -0.19 0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 58.75 2dat s ILE 56 Cb -0.00 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 2dat s ILE 56 CO 0.71 0.07 0.24 0.03 -1.23 0.00 0.00 174.94 174.77 2dat h ARG 57 N 5.77 -0.17 -2.89 2.79 2.47 -1.87 -3.43 114.38 117.05 2dat h ARG 57 Ca -0.44 0.01 -0.61 0.00 -1.26 0.00 0.00 59.98 57.68 2dat h ARG 57 Cb 1.21 0.04 -0.40 0.00 -1.65 0.00 0.00 29.97 29.17 2dat h ARG 57 CO 0.83 -0.11 -0.72 0.15 0.56 0.00 0.00 179.97 180.68 2dat s LYS 58 N -2.08 1.79 -1.14 0.04 1.02 -1.26 -5.04 119.74 113.07 2dat s LYS 58 Ca -0.03 -2.72 -0.23 0.00 0.02 0.00 0.00 55.97 53.01 2dat s LYS 58 Cb 0.00 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 2dat s LYS 58 CO 0.08 -1.28 1.94 -1.25 -0.92 0.00 0.00 175.35 173.92 2dat s PRO 59 N -0.64 2.50 0.43 -1.68 0.04 -1.26 -4.79 135.00 129.60 2dat s PRO 59 Ca 0.25 -1.02 -0.00 0.00 0.04 0.00 0.00 61.00 60.26 2dat s PRO 59 Cb -0.07 -5.21 -0.01 0.00 0.04 0.00 0.00 34.50 29.24 2dat s PRO 59 CO -0.13 -3.89 0.66 0.54 0.04 0.00 0.00 177.00 174.21 2dat s VAL 60 N 10.89 4.39 0.26 -0.36 0.11 -1.26 -5.06 120.40 129.37 2dat s VAL 60 Ca 0.69 -0.40 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2dat s VAL 60 Cb -0.02 -3.63 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 2dat s VAL 60 CO 0.11 -0.46 0.03 -0.90 -3.33 0.00 0.00 175.10 170.55 2dat n ASP 61 N -2.03 2.22 0.09 3.54 5.75 -1.26 -4.72 116.55 120.14 2dat n ASP 61 Ca -0.00 -2.20 -0.22 0.00 -0.01 0.00 0.00 54.79 52.35 2dat n ASP 61 Cb 0.57 0.32 -0.15 0.00 -1.03 0.00 0.00 41.12 40.82 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2dat h PHE 62 N 1.22 0.74 -0.38 2.11 0.04 -1.65 -3.14 116.94 115.88 2dat h PHE 62 Ca -0.21 -0.54 0.07 0.00 2.80 0.00 0.00 57.97 60.09 2dat h PHE 62 Cb 0.68 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 2dat h PHE 62 CO 0.00 1.61 0.26 0.87 -0.60 0.00 0.00 178.31 180.45 2dat h LYS 63 N 0.11 0.21 0.03 1.51 1.57 -1.86 -1.83 116.57 116.32 2dat h LYS 63 Ca -0.31 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 2dat h LYS 63 Cb 2.10 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.38 2dat h LYS 63 CO 0.20 0.14 -0.40 0.87 -0.57 0.00 0.00 179.45 179.69 2dat h LYS 64 N 0.22 0.22 -0.98 3.15 1.79 -1.92 -2.31 116.57 116.74 2dat h LYS 64 Ca 0.17 -0.27 0.13 0.00 -2.18 0.00 0.00 60.65 58.50 2dat h LYS 64 Cb 0.39 0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 31.04 2dat h LYS 64 CO -0.03 1.04 0.60 0.82 -1.08 0.00 0.00 179.45 180.80 2dat h ILE 65 N -0.48 0.86 -0.09 1.86 2.04 -1.37 -1.44 117.51 118.90 2dat h ILE 65 Ca -0.06 -0.31 -0.22 0.00 1.00 0.00 0.00 64.86 65.27 2dat h ILE 65 Cb 1.20 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2dat h ILE 65 CO 0.08 0.17 -0.81 0.11 0.00 0.00 0.00 178.15 177.70 2dat h LYS 66 N 0.91 0.70 -0.24 2.37 1.57 -1.43 -3.13 116.57 117.32 2dat h LYS 66 Ca 0.51 -0.64 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2dat h LYS 66 Cb 0.57 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2dat h LYS 66 CO -0.29 1.24 0.19 1.49 -0.57 0.00 0.00 179.45 181.51 2dat h GLU 67 N 0.38 0.00 -0.10 3.15 4.81 -0.70 -1.75 114.58 120.37 2dat h GLU 67 Ca -0.08 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2dat h GLU 67 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.84 2dat h GLU 67 CO 0.16 0.00 -0.27 0.00 -0.73 0.00 0.00 179.01 178.17 2dat h ARG 68 N 0.00 0.36 -0.98 1.92 2.47 -1.25 -2.28 114.38 114.62 2dat h ARG 68 Ca 0.11 -0.25 0.10 0.00 -1.26 0.00 0.00 59.98 58.68 2dat h ARG 68 Cb 0.49 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.78 2dat h ARG 68 CO -0.00 0.87 0.62 0.82 0.56 0.00 0.00 179.97 182.84 2dat h ILE 69 N -0.08 0.97 0.00 2.04 2.04 -1.32 0.19 117.51 121.35 2dat h ILE 69 Ca -0.01 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2dat h ILE 69 Cb 0.88 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2dat h ILE 69 CO 0.06 0.18 -0.05 -2.11 0.00 0.00 0.00 178.15 176.23 2dat n ARG 70 N -4.57 0.11 -0.50 2.37 1.85 -1.05 -3.07 116.66 111.81 2dat n ARG 70 Ca 0.17 0.08 0.10 0.00 -1.00 0.00 0.00 57.85 57.21 2dat n ARG 70 Cb 0.31 -1.62 0.33 0.00 -1.05 0.00 0.00 32.46 30.43 2dat n ARG 70 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2dat n ASN 71 N -1.82 4.35 -2.52 2.89 3.02 0.60 -4.93 115.26 116.85 2dat n ASN 71 Ca 0.06 -2.27 -0.12 0.00 -0.03 0.00 0.00 54.58 52.22 2dat n ASN 71 Cb 0.38 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 39.02 2dat n ASN 71 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dat n HIS 72 N 1.26 -1.50 0.04 3.10 8.25 -0.77 -4.87 115.22 120.73 2dat n HIS 72 Ca 0.24 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.73 2dat n HIS 72 Cb 0.77 -2.63 -0.01 0.00 1.12 0.00 0.00 29.99 29.23 2dat n HIS 72 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2dat h LYS 73 N -0.09 -0.12 -6.32 -0.41 1.79 -1.62 -3.45 116.57 106.35 2dat h LYS 73 Ca -0.28 0.01 -0.66 0.00 -2.18 0.00 0.00 60.65 57.54 2dat h LYS 73 Cb 1.20 0.03 0.05 0.00 -1.58 0.00 0.00 32.23 31.93 2dat h LYS 73 CO 0.33 -0.08 0.60 0.66 -1.08 0.00 0.00 179.45 179.88 2dat n TYR 74 N -3.09 1.78 0.03 -1.35 4.01 -1.26 -4.89 117.16 112.39 2dat n TYR 74 Ca -0.02 0.51 -0.22 0.00 -0.16 0.00 0.00 57.90 58.02 2dat n TYR 74 Cb 0.05 -2.41 -0.14 0.00 -0.31 0.00 0.00 39.34 36.53 2dat n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dat h ARG 75 N 5.31 0.29 -4.58 -0.72 2.47 -1.98 -3.49 114.38 111.68 2dat h ARG 75 Ca -0.47 -0.50 -0.23 0.00 -1.26 0.00 0.00 59.98 57.51 2dat h ARG 75 Cb 1.31 0.19 -0.15 0.00 -1.65 0.00 0.00 29.97 29.67 2dat h ARG 75 CO 0.83 1.24 -0.64 0.45 0.56 0.00 0.00 179.97 182.41 2dat s SER 76 N -7.09 0.50 0.19 7.04 0.15 -1.26 -5.05 113.70 108.17 2dat s SER 76 Ca -0.17 -1.28 -0.13 0.00 0.70 0.00 0.00 55.95 55.07 2dat s SER 76 Cb 0.04 0.28 0.19 0.00 -1.71 0.00 0.00 66.02 64.82 2dat s SER 76 CO 0.80 -0.74 1.70 0.25 1.20 0.00 0.00 173.24 176.46 2dat h LEU 77 N 2.71 -0.07 -0.96 3.45 5.85 -1.95 -2.36 115.31 121.98 2dat h LEU 77 Ca -0.36 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.62 2dat h LEU 77 Cb 1.22 0.15 -0.17 0.00 0.37 0.00 0.00 40.66 42.24 2dat h LEU 77 CO 0.58 -0.01 -0.34 1.23 -0.34 0.00 0.00 178.44 179.57 2dat h GLY 78 N 0.19 0.28 -0.48 3.75 0.00 -2.00 0.42 103.07 105.23 2dat h GLY 78 Ca 0.25 0.45 0.22 0.00 0.00 0.00 0.00 47.33 48.25 2dat h GLY 78 CO -0.36 -0.26 0.13 -0.55 0.00 0.00 0.00 176.54 175.50 2dat h ASP 79 N -0.01 -0.18 -0.88 0.19 5.19 -1.84 0.43 116.42 119.32 2dat h ASP 79 Ca 0.38 0.21 0.07 0.00 -0.62 0.00 0.00 57.03 57.06 2dat h ASP 79 Cb 0.63 0.32 -0.06 0.00 0.18 0.00 0.00 39.33 40.40 2dat h ASP 79 CO -0.97 -0.19 0.55 0.25 -3.12 0.00 0.00 179.24 175.76 2dat h LEU 80 N 0.15 0.86 -0.70 1.55 5.85 -0.24 -1.90 115.31 120.88 2dat h LEU 80 Ca 0.51 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.23 2dat h LEU 80 Cb 0.99 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2dat h LEU 80 CO -0.69 0.54 0.37 -0.08 -0.34 0.00 0.00 178.44 178.24 2dat h GLU 81 N 0.99 0.98 -0.73 1.25 4.81 0.05 0.23 114.58 122.16 2dat h GLU 81 Ca 0.39 -0.12 0.14 0.00 -0.13 0.00 0.00 59.36 59.63 2dat h GLU 81 Cb 0.19 -0.19 -0.10 0.00 0.63 0.00 0.00 28.75 29.28 2dat h GLU 81 CO -0.18 0.75 0.26 0.87 -0.73 0.00 0.00 179.01 179.98 2dat h LYS 82 N 0.96 0.38 0.09 1.92 1.79 -0.59 -0.56 116.57 120.56 2dat h LYS 82 Ca 0.24 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2dat h LYS 82 Cb 0.06 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2dat h LYS 82 CO -0.04 0.25 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.10 2dat h ASP 83 N 0.39 -0.10 -0.84 0.86 5.19 -1.34 -2.94 116.42 117.64 2dat h ASP 83 Ca 0.40 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.94 2dat h ASP 83 Cb 0.62 0.03 -0.13 0.00 0.18 0.00 0.00 39.33 40.03 2dat h ASP 83 CO -0.42 0.28 -0.35 0.52 -3.12 0.00 0.00 179.24 176.15 2dat n VAL 84 N -4.29 -0.46 0.02 -1.35 0.31 0.04 0.23 118.33 112.83 2dat n VAL 84 Ca -0.01 1.98 0.02 0.00 -0.01 0.00 0.00 64.34 66.31 2dat n VAL 84 Cb 0.05 -2.59 0.37 0.00 -0.91 0.00 0.00 33.84 30.75 2dat n VAL 84 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2dat h MET 85 N 0.00 0.48 0.22 5.55 2.86 -1.25 -2.86 114.93 119.93 2dat h MET 85 Ca 0.27 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2dat h MET 85 Cb 0.48 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2dat h MET 85 CO -0.83 0.44 -0.10 1.25 1.06 0.00 0.00 176.91 178.73 2dat h LEU 86 N 0.48 -0.25 -1.91 1.22 7.12 0.31 -0.83 115.31 121.45 2dat h LEU 86 Ca 0.12 -0.23 0.27 0.00 0.13 0.00 0.00 57.88 58.16 2dat h LEU 86 Cb 0.17 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.32 2dat h LEU 86 CO -0.01 0.12 0.67 0.25 -0.13 0.00 0.00 178.44 179.35 2dat h LEU 87 N -0.64 0.07 0.01 2.25 6.46 -0.37 -0.57 115.31 122.52 2dat h LEU 87 Ca -0.03 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2dat h LEU 87 Cb 0.46 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2dat h LEU 87 CO 0.05 0.02 -0.00 0.00 -0.62 0.00 0.00 178.44 177.88 2dat h HIS 89 N -1.00 -0.32 -1.00 0.00 -0.00 -0.34 0.82 115.15 113.31 2dat h HIS 89 Ca -0.00 0.05 0.38 0.00 -0.00 0.00 0.00 60.37 60.80 2dat h HIS 89 Cb 0.45 0.24 -0.17 0.00 -0.00 0.00 0.00 27.41 27.92 2dat h HIS 89 CO 0.12 -0.26 0.51 -0.91 -0.00 0.00 0.00 177.93 177.40 2dat h ASN 90 N -0.00 0.33 0.37 3.26 2.35 -1.28 -0.87 115.58 119.74 2dat h ASN 90 Ca 0.28 0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 56.25 2dat h ASN 90 Cb 0.43 0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.05 2dat h ASN 90 CO -0.61 -0.33 -0.18 0.00 -1.65 0.00 0.00 177.43 174.66 2dat h ALA 91 N 1.95 -0.83 -0.73 -0.83 0.00 -0.97 -2.25 119.26 115.59 2dat h ALA 91 Ca 0.79 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.81 2dat h ALA 91 Cb 1.99 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.94 2dat h ALA 91 CO -0.73 -0.80 1.01 1.96 0.00 0.00 0.00 179.25 180.70 2dat h GLN 92 N -0.66 0.00 0.23 0.00 4.20 -1.07 1.40 115.11 119.22 2dat h GLN 92 Ca -0.05 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.32 2dat h GLN 92 Cb 0.39 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.19 2dat h GLN 92 CO 0.08 0.00 -1.57 1.15 -0.67 0.00 0.00 178.83 177.82 2dat h THR 93 N 0.00 1.17 0.00 -0.54 2.02 -1.12 -3.40 112.91 111.04 2dat h THR 93 Ca 0.35 -2.65 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 2dat h THR 93 Cb 2.37 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 71.73 2dat h THR 93 CO -0.00 0.83 -0.46 0.15 0.37 0.00 0.00 175.52 176.41 2dat h PHE 94 N 0.13 0.00 -3.21 3.16 3.57 0.22 -3.46 116.94 117.35 2dat h PHE 94 Ca -0.29 0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.69 2dat h PHE 94 Cb 2.15 0.00 0.03 0.00 2.79 0.00 0.00 35.95 40.92 2dat h PHE 94 CO 0.12 0.37 0.68 -0.80 -2.23 0.00 0.00 178.31 176.45 2dat s ASN 95 N -5.94 6.87 1.00 0.41 0.01 0.19 -4.99 114.94 112.49 2dat s ASN 95 Ca -0.14 2.36 -0.13 0.00 -0.71 0.00 0.00 52.86 54.24 2dat s ASN 95 Cb 0.02 -2.60 0.11 0.00 0.41 0.00 0.00 41.25 39.18 2dat s ASN 95 CO 0.28 -0.58 0.60 -0.11 -1.51 0.00 0.00 177.10 175.77 2dat n LEU 96 N 3.24 0.20 -4.68 0.60 7.94 -1.26 -4.52 117.00 118.51 2dat n LEU 96 Ca 0.09 0.22 -0.29 0.00 -1.11 0.00 0.00 56.01 54.92 2dat n LEU 96 Cb 0.43 -1.24 0.17 0.00 0.53 0.00 0.00 43.42 43.31 2dat n LEU 96 CO 0.58 -3.13 0.65 -1.61 -1.11 0.00 0.00 177.39 172.77 2dat s GLU 97 N -3.95 0.49 -0.34 1.96 2.02 -1.26 -3.40 118.70 114.21 2dat s GLU 97 Ca 0.61 0.51 -0.04 0.00 0.02 0.00 0.00 54.97 56.07 2dat s GLU 97 Cb -0.21 -1.74 0.04 0.00 0.10 0.00 0.00 34.13 32.32 2dat s GLU 97 CO 0.65 -2.69 0.11 0.41 0.02 0.00 0.00 175.26 173.75 2dat n GLY 98 N -1.14 -0.33 2.82 -1.39 0.00 -1.26 -4.84 105.19 99.04 2dat n GLY 98 Ca 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2dat n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dat n SER 99 N -1.17 1.34 0.01 1.61 2.88 -1.22 -4.92 113.62 112.15 2dat n SER 99 Ca 0.02 -2.02 -0.13 0.00 -1.33 0.00 0.00 58.87 55.42 2dat n SER 99 Cb 0.34 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 2dat n SER 99 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2dat h GLN 100 N 0.00 -0.03 0.00 -1.46 -0.00 -1.88 -2.91 115.11 108.83 2dat h GLN 100 Ca -0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.32 2dat h GLN 100 Cb 0.90 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.37 2dat h GLN 100 CO 0.27 0.33 -0.56 0.82 0.00 0.00 0.00 178.83 179.69 2dat h ILE 101 N -0.39 1.19 0.00 2.39 1.08 -1.96 -3.31 117.51 116.51 2dat h ILE 101 Ca -0.00 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 2dat h ILE 101 Cb 0.37 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 2dat h ILE 101 CO 0.01 0.55 0.00 0.00 -0.69 0.00 0.00 178.15 178.01 2dat n TYR 102 N -3.57 0.00 -0.30 1.37 9.36 -1.19 -2.54 117.16 120.29 2dat n TYR 102 Ca -0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 2dat n TYR 102 Cb 0.63 -0.39 0.08 0.00 -0.63 0.00 0.00 39.34 39.03 2dat n TYR 102 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2dat n GLU 103 N -1.75 -0.12 -0.19 2.98 1.02 -1.10 0.20 120.64 121.68 2dat n GLU 103 Ca 0.00 1.26 -0.10 0.00 -0.02 0.00 0.00 57.16 58.30 2dat n GLU 103 Cb 0.00 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 29.49 2dat n GLU 103 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2dat h ASP 104 N 0.00 -1.58 -0.79 1.62 5.19 -1.63 -0.09 116.42 119.14 2dat h ASP 104 Ca 0.34 0.24 0.16 0.00 -0.62 0.00 0.00 57.03 57.15 2dat h ASP 104 Cb 0.55 0.70 -0.15 0.00 0.18 0.00 0.00 39.33 40.60 2dat h ASP 104 CO -0.82 -0.35 -0.21 0.77 -3.12 0.00 0.00 179.24 175.51 2dat h SER 105 N -0.27 -0.77 -0.93 6.45 4.64 0.04 0.46 113.55 123.17 2dat h SER 105 Ca 0.15 0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.75 2dat h SER 105 Cb 0.57 0.50 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 2dat h SER 105 CO -0.66 -0.27 0.60 0.40 -0.87 0.00 0.00 176.83 176.04 2dat h ILE 106 N -0.01 1.14 0.78 0.95 5.03 -0.90 -2.83 117.51 121.68 2dat h ILE 106 Ca 0.37 -0.40 -0.04 0.00 -0.12 0.00 0.00 64.86 64.68 2dat h ILE 106 Cb 0.58 -0.12 0.01 0.00 -3.03 0.00 0.00 36.82 34.26 2dat h ILE 106 CO -0.82 0.21 -0.38 0.58 -0.68 0.00 0.00 178.15 177.07 2dat h VAL 107 N 1.16 0.00 -1.11 1.67 2.07 0.89 -2.77 116.25 118.16 2dat h VAL 107 Ca 0.38 -0.16 0.44 0.00 0.82 0.00 0.00 66.70 68.17 2dat h VAL 107 Cb 0.03 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.63 2dat h VAL 107 CO -0.13 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.03 2dat h LEU 108 N -1.21 0.29 0.16 2.57 3.38 -0.90 0.55 115.31 120.14 2dat h LEU 108 Ca -0.11 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dat h LEU 108 Cb 0.81 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2dat h LEU 108 CO 0.18 -0.38 -0.08 1.56 0.09 0.00 0.00 178.44 179.81 2dat h GLN 109 N 0.01 -0.21 -0.77 1.13 4.20 -1.34 -1.45 115.11 116.69 2dat h GLN 109 Ca 0.86 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.73 2dat h GLN 109 Cb 2.41 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 30.19 2dat h GLN 109 CO -0.68 0.05 0.51 1.03 -0.67 0.00 0.00 178.83 179.07 2dat h SER 110 N -0.45 0.40 -0.01 1.46 0.87 0.34 -0.31 113.55 115.85 2dat h SER 110 Ca -0.02 0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2dat h SER 110 Cb 0.35 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2dat h SER 110 CO 0.04 0.20 -0.76 0.58 -0.53 0.00 0.00 176.83 176.36 2dat h VAL 111 N 0.42 1.31 0.58 2.23 2.07 -1.08 -2.96 116.25 118.81 2dat h VAL 111 Ca 0.38 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 2dat h VAL 111 Cb 0.87 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2dat h VAL 111 CO -0.12 0.63 -0.43 0.15 0.02 0.00 0.00 177.57 177.82 2dat h PHE 112 N 0.45 -1.15 0.08 1.57 3.57 0.04 -0.10 116.94 121.41 2dat h PHE 112 Ca -0.05 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.48 2dat h PHE 112 Cb 1.37 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 40.49 2dat h PHE 112 CO 0.07 -0.62 -0.38 0.87 -2.23 0.00 0.00 178.31 176.02 2dat h LYS 113 N -0.98 -0.57 -0.51 1.11 6.56 -1.55 -2.37 116.57 118.27 2dat h LYS 113 Ca -0.07 0.04 0.10 0.00 -1.06 0.00 0.00 60.65 59.66 2dat h LYS 113 Cb 0.82 0.13 -0.10 0.00 -0.57 0.00 0.00 32.23 32.51 2dat h LYS 113 CO 0.02 -0.38 -0.16 1.03 -2.06 0.00 0.00 179.45 177.91 2dat h SER 114 N -0.59 -0.57 -0.61 0.86 0.87 -1.45 -1.73 113.55 110.32 2dat h SER 114 Ca 0.03 0.16 0.10 0.00 -1.23 0.00 0.00 61.79 60.86 2dat h SER 114 Cb 0.64 0.35 -0.11 0.00 -0.44 0.00 0.00 62.40 62.83 2dat h SER 114 CO -0.25 -0.20 -0.37 0.00 -0.53 0.00 0.00 176.83 175.49 2dat h ALA 115 N 1.42 -0.11 -0.86 6.23 0.00 -0.50 0.28 119.26 125.72 2dat h ALA 115 Ca 0.24 0.16 0.30 0.00 0.00 0.00 0.00 54.91 55.61 2dat h ALA 115 Cb 0.41 0.85 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 2dat h ALA 115 CO -0.54 -0.72 0.23 0.54 0.00 0.00 0.00 179.25 178.76 2dat n ARG 116 N -5.43 -0.06 0.00 0.00 1.74 -0.65 -2.84 116.66 109.42 2dat n ARG 116 Ca 0.04 1.25 0.00 0.00 -0.77 0.00 0.00 57.85 58.37 2dat n ARG 116 Cb 0.36 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 2dat n ARG 116 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dat n GLN 117 N -5.11 0.00 -1.69 5.56 6.02 0.36 -4.79 117.38 117.73 2dat n GLN 117 Ca 0.26 0.18 -0.34 0.00 -0.01 0.00 0.00 57.00 57.09 2dat n GLN 117 Cb 0.88 -0.62 -0.03 0.00 1.02 0.00 0.00 30.24 31.48 2dat n GLN 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dat s SER 118 N -3.05 4.60 0.00 1.08 0.15 0.70 -4.83 113.70 112.35 2dat s SER 118 Ca 0.00 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2dat s SER 118 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2dat s SER 118 CO 0.00 -2.85 0.00 0.61 1.20 0.00 0.00 173.24 172.20 2dat n GLY 119 N 6.03 4.35 0.25 9.45 0.00 -1.25 -4.35 105.19 119.66 2dat n GLY 119 Ca 0.34 -1.10 0.16 0.00 0.00 0.00 0.00 46.02 45.42 2dat n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat h PRO 120 N 0.00 0.00 -5.55 1.61 0.13 -1.93 -3.43 132.00 122.82 2dat h PRO 120 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2dat h PRO 120 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dat h PRO 120 CO 0.00 0.00 1.61 0.43 -0.23 0.00 0.00 178.00 179.81 2dat n SER 121 N -2.92 1.77 -3.93 1.44 7.64 -1.26 -4.89 113.62 111.47 2dat n SER 121 Ca 0.01 -0.07 -0.31 0.00 1.01 0.00 0.00 58.87 59.51 2dat n SER 121 Cb 0.28 -1.33 -0.15 0.00 -1.01 0.00 0.00 64.21 62.00 2dat n SER 121 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dat s SER 122 N 10.03 4.53 0.00 6.43 0.15 -1.26 -5.09 113.70 128.48 2dat s SER 122 Ca 1.11 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2dat s SER 122 Cb -0.64 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2dat s SER 122 CO 0.38 -0.39 0.42 0.61 1.20 0.00 0.00 173.24 175.47