#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 -1.04 0.28 1.61 0.01 -1.26 -5.17 113.70 108.12 2dat s SER 2 Ca 0.00 1.50 0.06 0.00 1.31 0.00 0.00 55.95 58.82 2dat s SER 2 Cb 0.00 1.99 -0.03 0.00 0.21 0.00 0.00 66.02 68.19 2dat s SER 2 CO 0.00 -0.22 0.32 -0.44 0.41 0.00 0.00 173.24 173.31 2dat s SER 3 N 2.48 5.83 0.00 2.44 0.01 -1.26 -4.57 113.70 118.63 2dat s SER 3 Ca -0.07 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2dat s SER 3 Cb -0.09 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2dat s SER 3 CO -0.19 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dat n GLY 4 N -1.38 2.34 0.51 3.44 0.00 -1.26 -4.77 105.19 104.07 2dat n GLY 4 Ca -0.06 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2dat n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dat h SER 5 N 0.00 -1.11 -5.19 1.61 0.02 -2.05 -3.46 113.55 103.38 2dat h SER 5 Ca 0.00 0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 2dat h SER 5 Cb 0.00 0.29 -0.15 0.00 0.14 0.00 0.00 62.40 62.69 2dat h SER 5 CO 0.00 -0.77 -0.66 -0.55 -1.14 0.00 0.00 176.83 173.72 2dat s SER 6 N -4.09 0.54 0.37 3.07 0.15 -1.26 -5.18 113.70 107.31 2dat s SER 6 Ca -0.19 -1.17 -0.14 0.00 0.70 0.00 0.00 55.95 55.15 2dat s SER 6 Cb 0.02 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2dat s SER 6 CO 0.60 -0.67 0.73 -0.83 1.20 0.00 0.00 173.24 174.28 2dat s GLY 7 N -3.06 0.54 -0.06 9.45 0.00 -1.26 -4.79 107.32 108.14 2dat s GLY 7 Ca 0.22 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.98 2dat s GLY 7 CO 0.01 -0.42 0.24 -1.35 0.00 0.00 0.00 173.10 171.57 2dat s SER 8 N -3.09 -0.19 0.21 1.64 1.04 -1.26 -5.15 113.70 106.91 2dat s SER 8 Ca 0.18 0.28 -0.30 0.00 0.48 0.00 0.00 55.95 56.59 2dat s SER 8 Cb -0.04 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 2dat s SER 8 CO 0.13 -0.21 1.29 -2.16 0.98 0.00 0.00 173.24 173.27 2dat s PRO 9 N -0.44 4.40 0.41 4.02 0.04 -1.26 -4.96 135.00 137.22 2dat s PRO 9 Ca -0.05 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 2dat s PRO 9 Cb -0.04 -3.19 -0.12 0.00 0.04 0.00 0.00 34.50 31.20 2dat s PRO 9 CO 0.01 -0.22 0.80 0.09 0.04 0.00 0.00 177.00 177.73 2dat n ASN 10 N 2.40 0.28 -4.70 6.66 3.02 -1.26 -4.95 115.26 116.71 2dat n ASN 10 Ca 0.05 0.99 -0.29 0.00 -0.03 0.00 0.00 54.58 55.29 2dat n ASN 10 Cb 0.43 -1.24 0.15 0.00 -0.61 0.00 0.00 39.78 38.51 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 -1.80 0.93 0.12 3.52 0.04 -1.26 -4.74 135.00 131.81 2dat s PRO 11 Ca 0.63 0.71 0.18 0.00 0.04 0.00 0.00 61.00 62.56 2dat s PRO 11 Cb -0.59 -1.78 0.78 0.00 0.04 0.00 0.00 34.50 32.95 2dat s PRO 11 CO 0.57 -2.44 1.57 -0.35 0.04 0.00 0.00 177.00 176.39 2dat n PRO 12 N -4.00 0.09 0.08 0.56 -0.04 -1.26 -1.17 135.00 129.26 2dat n PRO 12 Ca 0.06 0.34 -0.22 0.00 -0.04 0.00 0.00 63.50 63.64 2dat n PRO 12 Cb 0.56 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 2dat n PRO 12 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2dat h LYS 13 N 0.00 0.39 0.00 0.54 3.64 -1.99 -3.22 116.57 115.93 2dat h LYS 13 Ca 0.00 -0.66 -0.10 0.00 -1.27 0.00 0.00 60.65 58.62 2dat h LYS 13 Cb 0.29 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2dat h LYS 13 CO 0.00 1.29 -0.60 1.25 -2.27 0.00 0.00 179.45 179.13 2dat h LEU 14 N 0.11 0.00 -0.44 5.20 6.46 -1.89 -3.21 115.31 121.54 2dat h LEU 14 Ca -0.31 -0.53 0.09 0.00 -0.12 0.00 0.00 57.88 57.01 2dat h LEU 14 Cb 2.09 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 41.93 2dat h LEU 14 CO 0.19 1.11 -0.19 0.74 -0.62 0.00 0.00 178.44 179.66 2dat h THR 15 N -1.00 0.41 -0.22 1.05 2.02 -1.35 -1.59 112.91 112.23 2dat h THR 15 Ca -0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.07 2dat h THR 15 Cb 0.94 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2dat h THR 15 CO -0.09 0.00 0.03 0.11 0.37 0.00 0.00 175.52 175.94 2dat h LYS 16 N -0.10 0.10 -0.02 6.66 1.57 -1.74 -3.16 116.57 119.88 2dat h LYS 16 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2dat h LYS 16 Cb 0.43 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2dat h LYS 16 CO -0.51 0.07 -0.01 0.37 -0.57 0.00 0.00 179.45 178.80 2dat h GLN 17 N 0.11 -0.00 0.00 3.15 4.15 -1.29 0.10 115.11 121.33 2dat h GLN 17 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2dat h GLN 17 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 2dat h GLN 17 CO -0.15 -0.00 0.00 -1.33 -1.93 0.00 0.00 178.83 175.42 2dat n MET 18 N -3.02 0.00 -0.26 1.69 2.81 -1.11 -0.61 117.12 116.62 2dat n MET 18 Ca 0.00 0.70 -0.07 0.00 -1.81 0.00 0.00 57.70 56.52 2dat n MET 18 Cb 0.01 -1.07 -0.02 0.00 -0.71 0.00 0.00 33.22 31.42 2dat n MET 18 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2dat h ASN 19 N 0.00 -1.51 -0.94 7.83 2.35 -1.48 0.14 115.58 121.97 2dat h ASN 19 Ca 0.00 0.26 0.25 0.00 -0.55 0.00 0.00 56.30 56.26 2dat h ASN 19 Cb 0.00 0.71 -0.18 0.00 0.05 0.00 0.00 38.32 38.90 2dat h ASN 19 CO 0.00 -0.31 -0.02 0.00 -1.65 0.00 0.00 177.43 175.45 2dat n ALA 20 N -3.22 0.44 0.14 -0.83 0.00 0.32 0.26 120.51 117.63 2dat n ALA 20 Ca 0.04 1.01 -0.14 0.00 0.00 0.00 0.00 53.44 54.35 2dat n ALA 20 Cb 0.35 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 2dat n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2dat h ILE 21 N 0.00 0.80 0.55 0.00 2.04 0.16 -3.04 117.51 118.01 2dat h ILE 21 Ca 0.55 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 66.38 2dat h ILE 21 Cb 1.10 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2dat h ILE 21 CO -0.90 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 177.34 2dat h ILE 22 N -0.29 0.34 -0.52 -0.67 1.08 0.09 -2.90 117.51 114.64 2dat h ILE 22 Ca -0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 2dat h ILE 22 Cb 0.22 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.25 2dat h ILE 22 CO 0.05 0.00 -0.31 -0.67 -0.69 0.00 0.00 178.15 176.53 2dat n ASP 23 N -5.46 -0.56 -0.33 1.72 2.03 0.57 0.20 116.55 114.74 2dat n ASP 23 Ca -0.12 1.13 0.14 0.00 0.52 0.00 0.00 54.79 56.46 2dat n ASP 23 Cb 0.35 -0.22 0.36 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.72 0.00 5.18 2.02 -1.49 0.11 112.91 119.45 2dat h THR 24 Ca 0.08 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2dat h THR 24 Cb 0.21 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 2dat h THR 24 CO -0.49 0.13 0.00 0.52 0.37 0.00 0.00 175.52 176.04 2dat n VAL 25 N -4.68 0.00 -0.48 3.16 0.31 0.55 -0.68 118.33 116.51 2dat n VAL 25 Ca 0.22 0.78 0.39 0.00 -0.01 0.00 0.00 64.34 65.72 2dat n VAL 25 Cb 0.58 -1.58 0.68 0.00 -0.91 0.00 0.00 33.84 32.62 2dat n VAL 25 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dat h ILE 26 N 0.00 0.12 -0.01 2.52 2.04 -0.40 0.73 117.51 122.50 2dat h ILE 26 Ca 0.00 -0.02 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 2dat h ILE 26 Cb 0.00 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2dat h ILE 26 CO 0.00 0.01 -0.63 0.78 0.00 0.00 0.00 178.15 178.32 2dat h ASN 27 N 0.07 0.57 -1.71 1.72 -0.26 -0.85 -3.40 115.58 111.71 2dat h ASN 27 Ca 0.83 -0.75 -0.51 0.00 -0.56 0.00 0.00 56.30 55.31 2dat h ASN 27 Cb 2.74 -0.17 0.16 0.00 -1.06 0.00 0.00 38.32 39.99 2dat h ASN 27 CO -0.33 1.24 -1.06 0.00 -1.06 0.00 0.00 177.43 176.22 2dat n TYR 28 N -4.19 -2.72 -4.19 1.19 4.19 0.25 -4.90 117.16 106.80 2dat n TYR 28 Ca -0.10 0.34 -0.12 0.00 3.31 0.00 0.00 57.90 61.33 2dat n TYR 28 Cb 0.68 -1.42 -0.10 0.00 0.49 0.00 0.00 39.34 38.99 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 -0.96 0.89 0.52 2.98 0.00 -1.26 -4.32 119.74 117.59 2dat s LYS 29 Ca 0.47 -1.32 -0.02 0.00 0.00 0.00 0.00 55.97 55.10 2dat s LYS 29 Cb -0.39 -0.38 0.11 0.00 0.00 0.00 0.00 37.83 37.17 2dat s LYS 29 CO 0.58 0.03 0.72 -0.40 0.00 0.00 0.00 175.35 176.28 2dat n ASP 30 N 0.06 0.72 0.32 0.03 5.68 -1.26 -4.87 116.55 117.23 2dat n ASP 30 Ca -0.13 -1.67 0.21 0.00 -0.50 0.00 0.00 54.79 52.71 2dat n ASP 30 Cb 0.60 -0.49 1.12 0.00 -1.14 0.00 0.00 41.12 41.22 2dat n ASP 30 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2dat h SER 31 N -0.56 0.00 -0.26 -1.12 4.64 -2.02 0.16 113.55 114.39 2dat h SER 31 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2dat h SER 31 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2dat h SER 31 CO 0.23 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.99 2dat n SER 32 N -3.01 2.20 -1.10 4.97 7.64 -1.26 -4.91 113.62 118.16 2dat n SER 32 Ca -0.02 -1.82 -0.14 0.00 1.01 0.00 0.00 58.87 57.89 2dat n SER 32 Cb 0.09 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 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 1.23 1.32 3.34 0.23 0.00 0.58 -4.92 105.19 106.97 2dat n GLY 33 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2dat n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dat s ARG 34 N -3.15 3.01 -1.00 1.61 0.52 -1.26 -4.83 118.95 113.86 2dat s ARG 34 Ca 0.00 -1.52 -0.19 0.00 -0.52 0.00 0.00 55.73 53.50 2dat s ARG 34 Cb 0.00 -4.28 -0.29 0.00 0.52 0.00 0.00 34.95 30.91 2dat s ARG 34 CO 0.00 -1.40 2.39 0.94 0.02 0.00 0.00 175.30 177.25 2dat n GLN 35 N 5.71 0.01 -0.28 3.54 7.27 -1.26 -4.20 117.38 128.17 2dat n GLN 35 Ca -0.12 -0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.04 2dat n GLN 35 Cb 0.41 -1.24 0.24 0.00 2.41 0.00 0.00 30.24 32.06 2dat n GLN 35 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2dat h LEU 36 N 11.52 -0.01 -1.61 1.69 4.07 -1.88 0.26 115.31 129.34 2dat h LEU 36 Ca 0.00 0.18 0.47 0.00 0.08 0.00 0.00 57.88 58.60 2dat h LEU 36 Cb 1.21 0.24 -0.06 0.00 1.08 0.00 0.00 40.66 43.12 2dat h LEU 36 CO 1.52 -0.11 1.35 0.77 -1.08 0.00 0.00 178.44 180.90 2dat h SER 37 N 0.23 0.00 -0.07 -0.43 4.64 -1.84 -1.95 113.55 114.13 2dat h SER 37 Ca 0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.82 2dat h SER 37 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2dat h SER 37 CO -0.60 0.00 -0.05 -0.33 -0.87 0.00 0.00 176.83 174.99 2dat h GLU 38 N 0.00 -0.00 0.00 4.77 5.08 -0.81 1.54 114.58 125.16 2dat h GLU 38 Ca 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 2dat h GLU 38 Cb 3.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.71 2dat h GLU 38 CO -0.01 -0.00 0.04 1.33 -1.00 0.00 0.00 179.01 179.37 2dat n VAL 39 N -3.16 1.24 -0.75 3.13 0.24 -0.73 0.00 118.33 118.31 2dat n VAL 39 Ca 0.00 0.67 0.08 0.00 -2.04 0.00 0.00 64.34 63.05 2dat n VAL 39 Cb 0.02 -1.67 0.26 0.00 -1.47 0.00 0.00 33.84 30.98 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 -2.01 1.03 0.00 6.34 3.72 0.47 -4.71 117.46 122.29 2dat n PHE 40 Ca -0.01 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 2dat n PHE 40 Cb 0.06 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2dat n ILE 41 N 0.06 0.00 -3.86 4.37 2.08 0.22 -2.22 119.36 120.02 2dat n ILE 41 Ca 0.20 0.27 -0.28 0.00 0.56 0.00 0.00 62.75 63.51 2dat n ILE 41 Cb 0.82 -0.83 -0.16 0.00 -0.75 0.00 0.00 39.64 38.71 2dat n ILE 41 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2dat s GLN 42 N -0.55 1.25 0.86 0.38 2.00 -1.26 -3.34 119.66 119.01 2dat s GLN 42 Ca 0.00 -0.47 -0.10 0.00 -2.00 0.00 0.00 55.36 52.79 2dat s GLN 42 Cb 0.00 -1.96 0.11 0.00 0.80 0.00 0.00 33.01 31.96 2dat s GLN 42 CO 0.00 -0.46 1.12 -0.51 -0.50 0.00 0.00 175.29 174.94 2dat s LEU 43 N 1.68 2.86 0.44 3.68 1.43 -1.26 -4.98 118.68 122.54 2dat s LEU 43 Ca 0.00 2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 54.89 2dat s LEU 43 Cb -0.15 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 2dat s LEU 43 CO -0.07 -2.71 1.17 -2.16 0.23 0.00 0.00 176.35 172.80 2dat s PRO 44 N -4.75 3.84 1.10 1.29 0.04 -1.26 -5.01 135.00 130.25 2dat s PRO 44 Ca 0.65 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 2dat s PRO 44 Cb -0.21 -2.48 0.17 0.00 0.04 0.00 0.00 34.50 32.03 2dat s PRO 44 CO 0.57 -0.49 0.57 0.43 0.04 0.00 0.00 177.00 178.12 2dat n SER 45 N -0.33 -1.81 0.07 6.66 7.64 -1.26 -4.72 113.62 119.87 2dat n SER 45 Ca 0.06 -0.02 -0.21 0.00 1.01 0.00 0.00 58.87 59.71 2dat n SER 45 Cb 0.48 -1.16 -0.15 0.00 -1.01 0.00 0.00 64.21 62.36 2dat n SER 45 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dat h ARG 46 N -2.23 0.37 -0.06 1.43 3.08 -1.95 -0.55 114.38 114.47 2dat h ARG 46 Ca -0.54 -0.61 0.02 0.00 0.07 0.00 0.00 59.98 58.91 2dat h ARG 46 Cb 1.33 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.60 2dat h ARG 46 CO 0.42 1.29 0.06 -0.22 -1.07 0.00 0.00 179.97 180.45 2dat h LYS 47 N -0.23 0.00 0.00 0.04 3.64 -1.98 0.12 116.57 118.17 2dat h LYS 47 Ca -0.17 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.97 2dat h LYS 47 Cb 1.75 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.54 2dat h LYS 47 CO 0.18 0.00 -1.49 0.39 -2.27 0.00 0.00 179.45 176.26 2dat n GLU 48 N -3.95 0.55 -3.40 1.90 1.02 -1.23 -4.71 120.64 110.83 2dat n GLU 48 Ca -0.02 0.45 -0.27 0.00 -0.02 0.00 0.00 57.16 57.31 2dat n GLU 48 Cb 0.15 -1.64 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 2dat n GLU 48 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2dat n LEU 49 N -4.41 3.51 0.01 -4.62 7.94 -0.22 -4.91 117.00 114.30 2dat n LEU 49 Ca -0.33 -5.39 -0.13 0.00 -1.11 0.00 0.00 56.01 49.05 2dat n LEU 49 Cb 0.66 -0.57 -0.10 0.00 0.53 0.00 0.00 43.42 43.95 2dat n LEU 49 CO 0.13 2.06 0.61 1.55 -1.11 0.00 0.00 177.39 180.63 2dat h PRO 50 N 4.14 -0.05 -0.91 1.96 0.13 -0.94 -3.24 132.00 133.09 2dat h PRO 50 Ca 0.19 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.61 2dat h PRO 50 Cb 0.68 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.65 2dat h PRO 50 CO 0.81 0.42 0.15 -0.85 -0.23 0.00 0.00 178.00 178.30 2dat n GLU 51 N -4.88 -0.07 -0.24 0.86 0.28 -1.26 0.15 120.64 115.48 2dat n GLU 51 Ca -0.08 1.33 0.03 0.00 -0.16 0.00 0.00 57.16 58.27 2dat n GLU 51 Cb 0.25 -2.18 0.15 0.00 1.43 0.00 0.00 31.44 31.09 2dat n GLU 51 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 2dat h TYR 52 N 0.00 0.47 0.00 -1.84 5.03 -1.96 0.50 116.97 119.17 2dat h TYR 52 Ca 0.61 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.96 2dat h TYR 52 Cb 1.39 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.57 2dat h TYR 52 CO -0.33 0.09 0.00 0.66 -1.32 0.00 0.00 178.16 177.26 2dat n TYR 53 N -4.99 0.00 -0.03 -3.82 4.02 0.40 -1.24 117.16 111.50 2dat n TYR 53 Ca 0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.83 2dat n TYR 53 Cb 0.34 -0.45 -0.13 0.00 -0.02 0.00 0.00 39.34 39.08 2dat n TYR 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dat h GLU 54 N 0.00 0.13 0.10 -0.72 4.39 0.54 -3.37 114.58 115.64 2dat h GLU 54 Ca 0.00 -0.22 -0.28 0.00 0.34 0.00 0.00 59.36 59.20 2dat h GLU 54 Cb 0.30 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2dat h GLU 54 CO 0.00 1.11 -1.34 1.37 -1.16 0.00 0.00 179.01 178.98 2dat h LEU 55 N -0.70 0.32 -9.73 1.33 -0.00 -1.37 -3.45 115.31 101.71 2dat h LEU 55 Ca -0.14 -0.39 -0.51 0.00 -0.00 0.00 0.00 57.88 56.84 2dat h LEU 55 Cb 1.36 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2dat h LEU 55 CO 0.02 1.31 0.48 -0.63 -0.00 0.00 0.00 178.44 179.63 2dat s ILE 56 N -2.65 3.67 -0.11 0.15 -1.09 -0.37 -4.99 121.20 115.81 2dat s ILE 56 Ca -0.05 1.54 -0.04 0.00 -2.23 0.00 0.00 60.65 59.87 2dat s ILE 56 Cb 0.07 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.96 2dat s ILE 56 CO 0.86 0.31 -0.07 0.03 -1.23 0.00 0.00 174.94 174.84 2dat h ARG 57 N 4.53 0.00 -3.04 2.79 2.47 -1.88 -3.44 114.38 115.81 2dat h ARG 57 Ca -0.45 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.65 2dat h ARG 57 Cb 1.21 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 29.12 2dat h ARG 57 CO 0.70 0.00 -0.69 0.15 0.56 0.00 0.00 179.97 180.69 2dat s LYS 58 N -1.81 1.79 -0.48 0.04 1.02 -1.26 -5.07 119.74 113.96 2dat s LYS 58 Ca -0.06 -2.60 -0.27 0.00 0.02 0.00 0.00 55.97 53.05 2dat s LYS 58 Cb 0.01 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.49 2dat s LYS 58 CO 0.09 -1.22 1.78 -1.25 -0.92 0.00 0.00 175.35 173.84 2dat s PRO 59 N -0.43 3.00 0.28 -1.68 0.04 -1.26 -4.90 135.00 130.05 2dat s PRO 59 Ca 0.22 0.96 0.09 0.00 0.04 0.00 0.00 61.00 62.31 2dat s PRO 59 Cb -0.15 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.07 2dat s PRO 59 CO -0.08 -2.27 -0.14 0.54 0.04 0.00 0.00 177.00 175.10 2dat s VAL 60 N 7.82 2.10 0.33 -0.36 0.11 -1.26 -5.12 120.40 124.02 2dat s VAL 60 Ca 0.71 -2.26 -0.03 0.00 -2.93 0.00 0.00 61.98 57.47 2dat s VAL 60 Cb -0.16 -2.35 -0.00 0.00 -1.53 0.00 0.00 36.38 32.34 2dat s VAL 60 CO 0.27 -0.38 0.45 -1.81 -3.33 0.00 0.00 175.10 170.30 2dat s ASP 61 N -3.48 0.79 0.07 3.54 1.01 -1.26 -4.67 116.67 112.67 2dat s ASP 61 Ca 0.29 -1.43 -0.33 0.00 0.71 0.00 0.00 52.55 51.79 2dat s ASP 61 Cb -0.01 0.64 -0.19 0.00 1.01 0.00 0.00 42.92 44.37 2dat s ASP 61 CO 0.13 -1.26 1.62 -0.26 0.21 0.00 0.00 175.17 175.61 2dat h PHE 62 N 2.15 -0.83 -0.58 4.23 0.04 -1.54 -0.41 116.94 120.00 2dat h PHE 62 Ca -0.28 -0.02 0.17 0.00 2.80 0.00 0.00 57.97 60.64 2dat h PHE 62 Cb 1.24 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 39.64 2dat h PHE 62 CO 1.32 -0.52 0.64 0.87 -0.60 0.00 0.00 178.31 180.02 2dat h LYS 63 N -0.90 0.00 0.00 1.51 1.57 -1.80 -0.67 116.57 116.28 2dat h LYS 63 Ca -0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2dat h LYS 63 Cb 0.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2dat h LYS 63 CO 0.15 0.00 -0.18 0.87 -0.57 0.00 0.00 179.45 179.72 2dat h LYS 64 N 0.00 0.00 -0.82 3.15 1.79 -1.67 -3.09 116.57 115.93 2dat h LYS 64 Ca 0.28 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.90 2dat h LYS 64 Cb 1.55 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.10 2dat h LYS 64 CO -0.00 0.66 0.39 0.82 -1.08 0.00 0.00 179.45 180.23 2dat h ILE 65 N -1.00 0.68 0.57 1.86 2.04 0.31 -1.10 117.51 120.87 2dat h ILE 65 Ca -0.04 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2dat h ILE 65 Cb 0.72 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2dat h ILE 65 CO -0.02 0.10 -0.27 0.11 0.00 0.00 0.00 178.15 178.06 2dat h LYS 66 N 0.54 -0.73 -0.25 2.37 1.79 -1.36 -2.02 116.57 116.91 2dat h LYS 66 Ca 0.46 0.05 0.07 0.00 -2.18 0.00 0.00 60.65 59.05 2dat h LYS 66 Cb 0.69 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 2dat h LYS 66 CO -0.39 -0.46 0.35 1.49 -1.08 0.00 0.00 179.45 179.36 2dat h GLU 67 N -0.85 0.00 0.04 3.15 4.57 -1.32 0.30 114.58 120.48 2dat h GLU 67 Ca -0.08 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.88 2dat h GLU 67 Cb 0.62 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 2dat h GLU 67 CO 0.13 0.00 -1.03 -0.09 -1.18 0.00 0.00 179.01 176.84 2dat h ARG 68 N 0.00 0.12 0.11 1.92 9.65 -0.66 -3.05 114.38 122.47 2dat h ARG 68 Ca 0.12 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2dat h ARG 68 Cb 0.82 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 2dat h ARG 68 CO -0.00 1.04 -0.05 0.82 2.80 0.00 0.00 179.97 184.57 2dat h ILE 69 N 0.04 0.37 0.00 1.20 2.04 0.25 -1.88 117.51 119.54 2dat h ILE 69 Ca -0.05 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2dat h ILE 69 Cb 1.75 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2dat h ILE 69 CO 0.15 0.12 0.11 -2.11 0.00 0.00 0.00 178.15 176.42 2dat n ARG 70 N -4.85 0.12 -0.35 2.37 1.85 -0.56 0.41 116.66 115.65 2dat n ARG 70 Ca -0.04 0.62 0.08 0.00 -1.00 0.00 0.00 57.85 57.51 2dat n ARG 70 Cb 0.15 -2.02 0.26 0.00 -1.05 0.00 0.00 32.46 29.80 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 -2.20 3.29 -2.58 2.89 3.02 -1.15 -4.91 115.26 113.61 2dat n ASN 71 Ca -0.01 -2.12 -0.12 0.00 -0.03 0.00 0.00 54.58 52.29 2dat n ASN 71 Cb 0.14 -0.42 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 1.03 -1.55 0.40 3.10 8.25 0.17 -4.79 115.22 121.83 2dat n HIS 72 Ca 0.19 0.07 0.13 0.00 -0.26 0.00 0.00 57.72 57.85 2dat n HIS 72 Cb 0.56 -2.55 0.31 0.00 1.12 0.00 0.00 29.99 29.42 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 -0.14 0.00 -6.66 -0.41 1.79 -1.49 -3.46 116.57 106.19 2dat h LYS 73 Ca -0.27 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.69 2dat h LYS 73 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2dat h LYS 73 CO 0.33 0.00 -0.02 0.71 -1.08 0.00 0.00 179.45 179.38 2dat s TYR 74 N -3.19 3.48 -0.07 -1.35 2.02 -1.25 -5.02 117.35 111.97 2dat s TYR 74 Ca 0.08 0.79 0.02 0.00 -0.37 0.00 0.00 57.07 57.60 2dat s TYR 74 Cb 0.08 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.34 2dat s TYR 74 CO 0.62 0.03 -0.04 0.54 -1.57 0.00 0.00 175.55 175.13 2dat n ARG 75 N -1.22 1.06 -3.83 -0.62 1.74 -1.26 -4.99 116.66 107.54 2dat n ARG 75 Ca -0.00 0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 2dat n ARG 75 Cb 0.54 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.71 2dat n ARG 75 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dat s SER 76 N -4.47 -0.10 0.22 0.55 0.15 -1.26 -5.05 113.70 103.74 2dat s SER 76 Ca -0.08 0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.50 2dat s SER 76 Cb 0.02 0.31 0.23 0.00 -1.71 0.00 0.00 66.02 64.87 2dat s SER 76 CO 0.21 -0.24 1.58 0.25 1.20 0.00 0.00 173.24 176.24 2dat h LEU 77 N 4.97 -1.06 -0.95 3.45 5.85 -1.97 0.21 115.31 125.81 2dat h LEU 77 Ca -0.28 0.25 0.37 0.00 0.84 0.00 0.00 57.88 59.06 2dat h LEU 77 Cb 1.19 0.58 -0.17 0.00 0.37 0.00 0.00 40.66 42.64 2dat h LEU 77 CO 0.39 -0.29 0.43 0.61 -0.34 0.00 0.00 178.44 179.24 2dat n GLY 78 N -1.48 -0.81 0.34 3.75 0.00 -1.26 -0.73 105.19 105.00 2dat n GLY 78 Ca 0.08 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 2dat n GLY 78 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dat h ASP 79 N 0.00 -0.95 -0.81 1.61 3.58 -1.01 -2.66 116.42 116.18 2dat h ASP 79 Ca 0.77 0.08 0.17 0.00 0.42 0.00 0.00 57.03 58.46 2dat h ASP 79 Cb 1.97 0.32 -0.15 0.00 1.72 0.00 0.00 39.33 43.18 2dat h ASP 79 CO -0.76 -0.45 -0.18 -0.11 -2.88 0.00 0.00 179.24 174.86 2dat n LEU 80 N -4.46 -0.27 -0.17 2.28 7.94 0.09 -0.04 117.00 122.37 2dat n LEU 80 Ca -0.08 1.39 -0.13 0.00 -1.11 0.00 0.00 56.01 56.08 2dat n LEU 80 Cb 0.31 -0.43 -0.10 0.00 0.53 0.00 0.00 43.42 43.73 2dat n LEU 80 CO 0.17 -1.34 0.50 -0.08 -1.11 0.00 0.00 177.39 175.52 2dat h GLU 81 N 0.00 -0.34 -0.77 1.96 4.81 -1.40 -0.11 114.58 118.73 2dat h GLU 81 Ca 0.40 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.81 2dat h GLU 81 Cb 0.63 0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.94 2dat h GLU 81 CO -0.83 -0.23 -0.17 1.63 -0.73 0.00 0.00 179.01 178.68 2dat n LYS 82 N -5.34 -0.07 0.16 1.92 4.76 0.95 0.18 118.16 120.72 2dat n LYS 82 Ca -0.03 1.20 -0.13 0.00 -2.87 0.00 0.00 58.31 56.48 2dat n LYS 82 Cb 0.33 -1.81 -0.08 0.00 -1.84 0.00 0.00 35.03 31.63 2dat n LYS 82 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2dat h ASP 83 N 0.00 -0.36 -0.81 4.39 3.58 -1.08 -2.49 116.42 119.65 2dat h ASP 83 Ca 0.38 -0.16 0.19 0.00 0.42 0.00 0.00 57.03 57.86 2dat h ASP 83 Cb 0.61 0.09 -0.14 0.00 1.72 0.00 0.00 39.33 41.61 2dat h ASP 83 CO -0.79 -0.02 0.00 0.58 -2.88 0.00 0.00 179.24 176.14 2dat h VAL 84 N -0.75 0.27 -0.55 2.25 2.07 0.93 0.59 116.25 121.06 2dat h VAL 84 Ca -0.04 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2dat h VAL 84 Cb 0.50 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2dat h VAL 84 CO 0.07 0.02 0.16 0.24 0.02 0.00 0.00 177.57 178.08 2dat h MET 85 N 0.09 0.83 -0.02 1.57 2.86 -0.88 -3.01 114.93 116.36 2dat h MET 85 Ca 0.45 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 2dat h MET 85 Cb 0.82 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2dat h MET 85 CO -0.73 0.73 -0.01 1.25 1.06 0.00 0.00 176.91 179.21 2dat h LEU 86 N 0.81 0.05 -1.55 1.22 5.85 0.48 -1.66 115.31 120.49 2dat h LEU 86 Ca 0.18 -0.40 0.36 0.00 0.84 0.00 0.00 57.88 58.86 2dat h LEU 86 Cb 0.25 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 2dat h LEU 86 CO -0.01 0.44 0.83 0.25 -0.34 0.00 0.00 178.44 179.61 2dat h LEU 87 N -0.35 0.25 0.01 2.25 6.46 -0.48 0.19 115.31 123.65 2dat h LEU 87 Ca 0.01 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 2dat h LEU 87 Cb 0.42 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2dat h LEU 87 CO 0.00 -0.03 -0.36 0.00 -0.62 0.00 0.00 178.44 177.43 2dat h HIS 89 N -0.94 -0.36 -0.92 0.00 -0.00 -0.03 -1.31 115.15 111.60 2dat h HIS 89 Ca -0.09 0.03 0.27 0.00 -0.00 0.00 0.00 60.37 60.58 2dat h HIS 89 Cb 1.13 0.20 -0.15 0.00 -0.00 0.00 0.00 27.41 28.59 2dat h HIS 89 CO 0.23 -0.22 0.24 -0.91 -0.00 0.00 0.00 177.93 177.28 2dat h ASN 90 N -0.10 -0.04 1.00 3.26 2.35 -0.89 -0.71 115.58 120.45 2dat h ASN 90 Ca 0.16 0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 56.08 2dat h ASN 90 Cb 0.34 0.31 0.01 0.00 0.05 0.00 0.00 38.32 39.02 2dat h ASN 90 CO -0.37 -0.23 -0.48 0.00 -1.65 0.00 0.00 177.43 174.70 2dat h ALA 91 N 1.85 -1.34 -1.23 -0.83 0.00 -1.37 -2.58 119.26 113.77 2dat h ALA 91 Ca 0.60 -0.29 0.36 0.00 0.00 0.00 0.00 54.91 55.58 2dat h ALA 91 Cb 1.29 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 2dat h ALA 91 CO -0.72 -1.25 0.82 1.96 0.00 0.00 0.00 179.25 180.06 2dat h GLN 92 N -1.35 0.18 -0.43 0.00 4.20 -0.93 0.52 115.11 117.30 2dat h GLN 92 Ca -0.14 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2dat h GLN 92 Cb 1.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2dat h GLN 92 CO 0.23 0.12 0.15 1.15 -0.67 0.00 0.00 178.83 179.81 2dat h THR 93 N 0.18 1.21 0.00 -0.54 2.02 -0.93 -3.32 112.91 111.54 2dat h THR 93 Ca 0.69 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 2dat h THR 93 Cb 2.17 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2dat h THR 93 CO -0.26 0.24 -0.04 0.15 0.37 0.00 0.00 175.52 175.98 2dat h PHE 94 N 0.55 0.00 -4.13 3.16 3.57 0.06 -3.46 116.94 116.69 2dat h PHE 94 Ca 0.14 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 61.13 2dat h PHE 94 Cb 0.22 0.00 0.10 0.00 2.79 0.00 0.00 35.95 39.06 2dat h PHE 94 CO 0.01 0.30 0.42 -0.80 -2.23 0.00 0.00 178.31 176.01 2dat s ASN 95 N -5.76 5.30 1.11 0.41 0.01 0.12 -5.03 114.94 111.09 2dat s ASN 95 Ca -0.06 2.19 -0.18 0.00 -0.71 0.00 0.00 52.86 54.09 2dat s ASN 95 Cb -0.01 -2.58 0.25 0.00 0.41 0.00 0.00 41.25 39.33 2dat s ASN 95 CO 0.21 -1.50 1.19 -0.76 -1.51 0.00 0.00 177.10 174.72 2dat s LEU 96 N -4.28 1.48 0.68 0.60 1.02 -1.26 -4.63 118.68 112.30 2dat s LEU 96 Ca 0.72 0.51 -0.11 0.00 0.02 0.00 0.00 54.13 55.27 2dat s LEU 96 Cb -0.25 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.59 2dat s LEU 96 CO 0.34 -3.57 1.06 -1.61 0.02 0.00 0.00 176.35 172.59 2dat s GLU 97 N -5.58 3.02 0.00 1.70 2.02 -1.26 -3.50 118.70 115.10 2dat s GLU 97 Ca 0.72 0.96 0.00 0.00 0.02 0.00 0.00 54.97 56.66 2dat s GLU 97 Cb -0.08 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.15 2dat s GLU 97 CO 0.55 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2dat n GLY 98 N -1.98 -0.33 3.93 -1.39 0.00 -1.26 -4.85 105.19 99.32 2dat n GLY 98 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2dat n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 99 N -1.53 5.08 0.12 1.61 0.15 -1.23 -4.86 113.70 113.04 2dat s SER 99 Ca 0.00 0.43 -0.33 0.00 0.70 0.00 0.00 55.95 56.75 2dat s SER 99 Cb 0.00 -1.20 -0.11 0.00 -1.71 0.00 0.00 66.02 63.00 2dat s SER 99 CO 0.00 -1.39 1.56 -0.61 1.20 0.00 0.00 173.24 174.00 2dat h GLN 100 N -0.37 -0.52 -0.50 5.44 5.75 -1.90 -1.90 115.11 121.10 2dat h GLN 100 Ca -0.44 0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 57.98 2dat h GLN 100 Cb 1.30 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.95 2dat h GLN 100 CO 0.59 -0.35 -0.14 0.82 -2.65 0.00 0.00 178.83 177.10 2dat h ILE 101 N -0.54 1.27 -0.22 2.39 2.04 -1.94 -3.30 117.51 117.20 2dat h ILE 101 Ca 0.05 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.64 2dat h ILE 101 Cb 0.67 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2dat h ILE 101 CO -0.45 0.45 -0.16 0.22 0.00 0.00 0.00 178.15 178.20 2dat h TYR 102 N 0.85 -0.51 -0.97 1.37 3.20 -1.59 0.29 116.97 119.61 2dat h TYR 102 Ca 0.13 0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.23 2dat h TYR 102 Cb 0.69 0.25 -0.19 0.00 1.54 0.00 0.00 36.73 39.03 2dat h TYR 102 CO 0.04 -0.11 -0.23 0.93 -1.64 0.00 0.00 178.16 177.15 2dat h GLU 103 N -0.04 0.00 -0.82 1.82 4.39 -1.50 0.66 114.58 119.09 2dat h GLU 103 Ca 0.04 -0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.94 2dat h GLU 103 Cb 0.13 -0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.65 2dat h GLU 103 CO -0.23 0.00 0.20 -0.44 -1.16 0.00 0.00 179.01 177.38 2dat h ASP 104 N 0.00 -0.02 -0.74 1.42 5.19 -1.05 0.51 116.42 121.73 2dat h ASP 104 Ca 0.47 0.18 0.06 0.00 -0.62 0.00 0.00 57.03 57.12 2dat h ASP 104 Cb 0.73 0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 2dat h ASP 104 CO -1.00 -0.11 0.49 0.77 -3.12 0.00 0.00 179.24 176.27 2dat h SER 105 N 0.23 0.70 0.99 6.45 4.64 0.78 0.07 113.55 127.41 2dat h SER 105 Ca 0.49 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.64 2dat h SER 105 Cb 0.93 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2dat h SER 105 CO -0.61 0.46 -0.83 0.40 -0.87 0.00 0.00 176.83 175.38 2dat h ILE 106 N 0.80 1.51 0.12 0.95 5.03 0.06 -3.30 117.51 122.68 2dat h ILE 106 Ca 0.32 -2.93 -0.01 0.00 -0.12 0.00 0.00 64.86 62.12 2dat h ILE 106 Cb 0.22 2.62 0.00 0.00 -3.03 0.00 0.00 36.82 36.63 2dat h ILE 106 CO -0.10 0.82 -0.06 0.58 -0.68 0.00 0.00 178.15 178.70 2dat h VAL 107 N 0.00 0.00 -0.72 1.67 2.07 0.44 -3.08 116.25 116.63 2dat h VAL 107 Ca -0.01 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.45 2dat h VAL 107 Cb 1.55 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.18 2dat h VAL 107 CO 0.11 0.00 -0.14 0.18 0.02 0.00 0.00 177.57 177.73 2dat n LEU 108 N -3.01 -0.23 -0.02 2.57 4.77 -0.11 0.15 117.00 121.13 2dat n LEU 108 Ca -0.02 1.23 -0.09 0.00 -0.03 0.00 0.00 56.01 57.10 2dat n LEU 108 Cb 0.06 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2dat n LEU 108 CO 0.05 -1.20 0.82 1.56 -1.33 0.00 0.00 177.39 177.29 2dat h GLN 109 N 0.00 -0.05 -0.26 3.23 4.20 -1.67 0.19 115.11 120.75 2dat h GLN 109 Ca 0.36 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.15 2dat h GLN 109 Cb 0.59 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2dat h GLN 109 CO -0.73 -0.03 0.26 0.77 -0.67 0.00 0.00 178.83 178.43 2dat h SER 110 N -0.05 0.00 0.18 1.46 0.02 0.15 -1.36 113.55 113.95 2dat h SER 110 Ca 0.08 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.70 2dat h SER 110 Cb 0.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.72 2dat h SER 110 CO -0.18 0.00 -1.62 0.58 -1.14 0.00 0.00 176.83 174.46 2dat h VAL 111 N 0.00 1.00 -0.32 2.27 2.07 -0.21 -3.31 116.25 117.75 2dat h VAL 111 Ca 0.12 -2.50 0.07 0.00 0.82 0.00 0.00 66.70 65.22 2dat h VAL 111 Cb 0.64 2.79 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 2dat h VAL 111 CO -0.00 0.82 -0.18 0.15 0.02 0.00 0.00 177.57 178.38 2dat h PHE 112 N -0.00 -0.44 -0.03 1.57 3.57 0.43 -0.16 116.94 121.89 2dat h PHE 112 Ca -0.32 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.25 2dat h PHE 112 Cb 2.01 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.95 2dat h PHE 112 CO 0.11 -0.25 -0.23 0.87 -2.23 0.00 0.00 178.31 176.58 2dat h LYS 113 N -0.13 -0.33 -0.72 1.11 1.57 -1.63 -1.67 116.57 114.76 2dat h LYS 113 Ca 0.17 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.08 2dat h LYS 113 Cb 0.39 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.69 2dat h LYS 113 CO -0.40 -0.22 0.34 1.03 -0.57 0.00 0.00 179.45 179.62 2dat h SER 114 N -0.35 0.41 -0.59 0.86 0.87 -1.50 -1.40 113.55 111.86 2dat h SER 114 Ca 0.07 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2dat h SER 114 Cb 0.44 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 2dat h SER 114 CO -0.22 0.22 0.31 0.00 -0.53 0.00 0.00 176.83 176.60 2dat h ALA 115 N 1.46 0.77 -0.81 6.23 0.00 -0.36 0.42 119.26 126.97 2dat h ALA 115 Ca 0.37 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.37 2dat h ALA 115 Cb 0.44 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2dat h ALA 115 CO -0.31 -0.03 0.53 -0.09 0.00 0.00 0.00 179.25 179.35 2dat h ARG 116 N 0.58 0.83 0.00 0.00 2.43 -0.37 -3.26 114.38 114.59 2dat h ARG 116 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2dat h ARG 116 Cb 0.17 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2dat h ARG 116 CO -0.18 0.55 -0.03 1.96 -1.51 0.00 0.00 179.97 180.77 2dat h GLN 117 N 0.86 0.00 -6.33 0.20 1.08 -0.92 -3.44 115.11 106.56 2dat h GLN 117 Ca 0.35 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.99 2dat h GLN 117 Cb 0.27 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 2dat h GLN 117 CO -0.13 0.00 1.21 -1.54 -0.95 0.00 0.00 178.83 177.42 2dat s SER 118 N -3.86 5.98 0.00 1.46 1.04 0.14 -4.81 113.70 113.65 2dat s SER 118 Ca -0.01 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2dat s SER 118 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2dat s SER 118 CO 0.01 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.14 2dat n GLY 119 N 5.33 3.18 3.59 7.32 0.00 -1.26 -4.55 105.19 118.80 2dat n GLY 119 Ca 0.20 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2dat n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dat s PRO 120 N 4.39 3.17 0.51 1.61 0.04 -1.26 -4.96 135.00 138.50 2dat s PRO 120 Ca 0.00 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 61.95 2dat s PRO 120 Cb 0.00 -4.22 -0.10 0.00 0.04 0.00 0.00 34.50 30.22 2dat s PRO 120 CO 0.00 -2.06 0.61 0.43 0.04 0.00 0.00 177.00 176.02 2dat n SER 121 N 10.74 -0.62 -4.39 6.66 7.64 -1.26 -4.88 113.62 127.51 2dat n SER 121 Ca 0.21 0.83 -0.45 0.00 1.01 0.00 0.00 58.87 60.47 2dat n SER 121 Cb 0.48 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.49 2dat n SER 121 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dat s SER 122 N -1.05 7.00 0.00 6.43 0.01 -1.26 -5.29 113.70 119.54 2dat s SER 122 Ca 0.67 -2.95 0.07 0.00 1.31 0.00 0.00 55.95 55.05 2dat s SER 122 Cb -0.50 -2.30 0.43 0.00 0.21 0.00 0.00 66.02 63.85 2dat s SER 122 CO 0.55 -0.62 0.89 0.61 0.41 0.00 0.00 173.24 175.08