#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 0.97 -0.33 1.61 0.01 -1.26 -5.12 113.70 109.58 2dat s SER 2 Ca 0.00 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2dat s SER 2 Cb 0.00 -0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.24 2dat s SER 2 CO 0.00 0.06 0.10 -0.55 0.41 0.00 0.00 173.24 173.26 2dat s SER 3 N -0.40 4.22 0.20 2.44 0.15 -1.26 -5.06 113.70 113.99 2dat s SER 3 Ca 0.02 -1.89 0.00 0.00 0.70 0.00 0.00 55.95 54.78 2dat s SER 3 Cb -0.04 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2dat s SER 3 CO -0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2dat n GLY 4 N 4.54 -3.16 3.35 9.45 0.00 -1.26 -4.92 105.19 113.19 2dat n GLY 4 Ca 0.01 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 2dat n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 5 N -4.00 4.70 -0.27 1.61 0.01 -1.26 -5.07 113.70 109.42 2dat s SER 5 Ca 0.00 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2dat s SER 5 Cb 0.00 -1.81 0.07 0.00 0.21 0.00 0.00 66.02 64.49 2dat s SER 5 CO 0.00 -0.07 -0.04 -0.44 0.41 0.00 0.00 173.24 173.10 2dat s SER 6 N 1.51 4.30 0.00 2.44 0.01 -1.26 -4.86 113.70 115.84 2dat s SER 6 Ca 0.05 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 55.79 2dat s SER 6 Cb -0.15 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2dat s SER 6 CO -0.00 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dat n GLY 7 N 4.49 -0.17 3.55 3.44 0.00 -1.26 -5.18 105.19 110.07 2dat n GLY 7 Ca -0.08 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 2dat n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dat s SER 8 N 0.00 -0.67 0.08 1.61 1.04 -1.26 -5.14 113.70 109.35 2dat s SER 8 Ca 0.00 1.09 -0.31 0.00 0.48 0.00 0.00 55.95 57.21 2dat s SER 8 Cb 0.00 1.04 -0.07 0.00 0.10 0.00 0.00 66.02 67.09 2dat s SER 8 CO 0.00 -0.38 1.39 -2.16 0.98 0.00 0.00 173.24 173.07 2dat s PRO 9 N -0.27 4.31 0.45 4.02 0.04 -1.26 -4.87 135.00 137.42 2dat s PRO 9 Ca -0.05 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 2dat s PRO 9 Cb -0.03 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2dat s PRO 9 CO 0.04 -0.47 0.77 0.54 0.04 0.00 0.00 177.00 177.92 2dat s ASN 10 N 1.35 6.33 0.85 6.66 2.20 -1.26 -5.07 114.94 126.00 2dat s ASN 10 Ca 0.64 0.96 -0.11 0.00 -0.94 0.00 0.00 52.86 53.41 2dat s ASN 10 Cb -0.35 -2.26 0.10 0.00 -2.00 0.00 0.00 41.25 36.75 2dat s ASN 10 CO 0.29 -0.51 1.09 -2.16 -2.94 0.00 0.00 177.10 172.87 2dat s PRO 11 N -4.46 1.59 0.54 3.55 0.04 -1.26 -4.84 135.00 130.16 2dat s PRO 11 Ca 0.48 0.93 0.34 0.00 0.04 0.00 0.00 61.00 62.79 2dat s PRO 11 Cb -0.10 -1.84 1.39 0.00 0.04 0.00 0.00 34.50 33.99 2dat s PRO 11 CO 0.41 -2.04 1.98 -1.00 0.04 0.00 0.00 177.00 176.39 2dat h PRO 12 N -1.41 0.00 0.05 0.56 0.13 -1.98 -1.71 132.00 127.65 2dat h PRO 12 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dat h PRO 12 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dat h PRO 12 CO 0.54 0.00 -0.02 -0.22 -0.23 0.00 0.00 178.00 178.06 2dat h LYS 13 N 0.00 -0.07 -0.04 0.86 1.63 -1.99 -2.54 116.57 114.42 2dat h LYS 13 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2dat h LYS 13 Cb 0.47 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2dat h LYS 13 CO 0.00 0.55 -0.03 1.25 -3.45 0.00 0.00 179.45 177.77 2dat h LEU 14 N -0.83 0.09 0.40 5.20 5.85 -1.94 -3.17 115.31 120.91 2dat h LEU 14 Ca -0.01 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2dat h LEU 14 Cb 0.65 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2dat h LEU 14 CO 0.01 0.55 -0.43 0.74 -0.34 0.00 0.00 178.44 178.97 2dat h THR 15 N -0.37 0.00 -0.70 1.05 2.02 -1.46 -3.04 112.91 110.42 2dat h THR 15 Ca 0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 2dat h THR 15 Cb 0.53 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 2dat h THR 15 CO 0.01 0.00 -0.41 1.17 0.37 0.00 0.00 175.52 176.66 2dat n LYS 16 N -5.02 -0.31 -0.26 6.66 4.81 -0.96 -0.85 118.16 122.23 2dat n LYS 16 Ca -0.10 1.24 -0.07 0.00 -0.87 0.00 0.00 58.31 58.51 2dat n LYS 16 Cb 0.39 -1.82 -0.06 0.00 0.02 0.00 0.00 35.03 33.55 2dat n LYS 16 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2dat n GLN 17 N -4.64 -0.27 0.00 1.64 7.27 -1.15 -0.24 117.38 119.99 2dat n GLN 17 Ca 0.01 1.03 0.00 0.00 0.07 0.00 0.00 57.00 58.11 2dat n GLN 17 Cb 0.18 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.32 2dat n GLN 17 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 2dat n MET 18 N -4.61 0.00 -0.32 3.69 2.81 -0.03 -0.63 117.12 118.03 2dat n MET 18 Ca 0.01 0.88 0.16 0.00 -1.81 0.00 0.00 57.70 56.93 2dat n MET 18 Cb 0.16 -1.42 0.35 0.00 -0.71 0.00 0.00 33.22 31.60 2dat n MET 18 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2dat h ASN 19 N 0.00 0.44 -0.88 7.83 7.08 -1.12 0.53 115.58 129.46 2dat h ASN 19 Ca 0.00 0.16 0.24 0.00 -3.08 0.00 0.00 56.30 53.61 2dat h ASN 19 Cb 0.00 0.11 -0.05 0.00 -2.08 0.00 0.00 38.32 36.31 2dat h ASN 19 CO 0.00 0.01 0.61 0.00 -2.08 0.00 0.00 177.43 175.97 2dat h ALA 20 N 1.74 2.64 0.08 4.14 0.00 0.18 0.13 119.26 128.16 2dat h ALA 20 Ca 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 2dat h ALA 20 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dat h ALA 20 CO -0.53 -0.90 -0.04 0.82 0.00 0.00 0.00 179.25 178.60 2dat h ILE 21 N 0.12 0.00 -0.02 0.00 2.04 0.96 -3.25 117.51 117.35 2dat h ILE 21 Ca 0.43 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2dat h ILE 21 Cb 1.52 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 2dat h ILE 21 CO -0.06 0.00 -0.44 0.40 0.00 0.00 0.00 178.15 178.05 2dat h ILE 22 N -0.75 0.12 -1.26 -0.67 1.08 -1.25 0.13 117.51 114.91 2dat h ILE 22 Ca -0.01 0.00 0.36 0.00 -0.39 0.00 0.00 64.86 64.82 2dat h ILE 22 Cb 0.09 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.91 2dat h ILE 22 CO 0.02 0.00 1.04 -0.78 -0.69 0.00 0.00 178.15 177.73 2dat h ASP 23 N -0.58 0.00 0.79 1.72 1.82 -0.94 1.58 116.42 120.80 2dat h ASP 23 Ca 0.05 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.44 2dat h ASP 23 Cb 0.66 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.64 2dat h ASP 23 CO -0.34 0.00 -1.30 0.74 -1.61 0.00 0.00 179.24 176.73 2dat h THR 24 N 0.00 1.35 0.00 2.25 2.02 -0.83 -2.93 112.91 114.77 2dat h THR 24 Ca 0.60 -3.12 -0.00 0.00 0.77 0.00 0.00 66.41 64.66 2dat h THR 24 Cb 2.66 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 71.74 2dat h THR 24 CO -0.01 0.77 -0.00 0.58 0.37 0.00 0.00 175.52 177.23 2dat h VAL 25 N 0.00 1.68 -0.87 3.16 2.07 0.32 -2.76 116.25 119.86 2dat h VAL 25 Ca -0.13 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 2dat h VAL 25 Cb 1.87 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 34.77 2dat h VAL 25 CO 0.11 0.57 0.45 0.40 0.02 0.00 0.00 177.57 179.11 2dat h ILE 26 N -1.00 1.26 -0.41 4.57 2.04 -0.72 -2.56 117.51 120.69 2dat h ILE 26 Ca -0.00 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 2dat h ILE 26 Cb 0.93 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2dat h ILE 26 CO 0.00 0.30 -0.15 0.78 0.00 0.00 0.00 178.15 179.08 2dat h ASN 27 N 1.22 0.76 -2.31 1.72 -0.26 -1.65 -3.41 115.58 111.65 2dat h ASN 27 Ca 0.30 -0.24 -0.58 0.00 -0.56 0.00 0.00 56.30 55.21 2dat h ASN 27 Cb 0.07 -0.21 0.19 0.00 -1.06 0.00 0.00 38.32 37.31 2dat h ASN 27 CO -0.04 0.92 -1.03 0.00 -1.06 0.00 0.00 177.43 176.22 2dat n TYR 28 N -4.14 -2.59 -4.18 1.19 9.36 -0.97 -4.98 117.16 110.85 2dat n TYR 28 Ca 0.01 0.37 -0.17 0.00 3.32 0.00 0.00 57.90 61.44 2dat n TYR 28 Cb 0.39 -1.72 -0.12 0.00 -0.63 0.00 0.00 39.34 37.25 2dat n TYR 28 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 2dat s LYS 29 N -1.54 0.69 1.15 2.98 -2.85 -1.26 -4.24 119.74 114.66 2dat s LYS 29 Ca 0.58 -0.72 -0.16 0.00 -1.00 0.00 0.00 55.97 54.66 2dat s LYS 29 Cb -0.43 -0.61 0.26 0.00 -2.06 0.00 0.00 37.83 35.00 2dat s LYS 29 CO 0.65 0.14 1.07 0.16 0.10 0.00 0.00 175.35 177.48 2dat s ASP 30 N -1.29 1.30 0.02 0.03 -4.77 -1.06 -4.84 116.67 106.06 2dat s ASP 30 Ca -0.03 0.97 -0.04 0.00 -3.30 0.00 0.00 52.55 50.15 2dat s ASP 30 Cb -0.08 -1.47 -0.01 0.00 -1.09 0.00 0.00 42.92 40.26 2dat s ASP 30 CO 0.01 -3.93 1.07 0.77 0.70 0.00 0.00 175.17 173.80 2dat h SER 31 N -2.44 -0.27 -0.67 2.11 4.64 -2.02 -1.46 113.55 113.44 2dat h SER 31 Ca -0.51 0.04 0.14 0.00 -0.47 0.00 0.00 61.79 60.98 2dat h SER 31 Cb 1.32 0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 63.40 2dat h SER 31 CO 0.45 -0.05 -0.08 -1.28 -0.87 0.00 0.00 176.83 175.00 2dat h SER 32 N -0.04 -0.47 0.00 4.97 0.87 -2.05 -3.45 113.55 113.38 2dat h SER 32 Ca 0.01 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2dat h SER 32 Cb 0.08 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2dat h SER 32 CO -0.09 -0.18 0.00 0.61 -0.53 0.00 0.00 176.83 176.63 2dat n GLY 33 N -1.42 0.72 3.70 5.77 0.00 -0.55 -5.12 105.19 108.29 2dat n GLY 33 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 4.22 0.60 1.61 0.52 -1.26 -4.47 118.95 120.17 2dat s ARG 34 Ca 0.00 2.28 -0.19 0.00 -0.52 0.00 0.00 55.73 57.30 2dat s ARG 34 Cb 0.00 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 2dat s ARG 34 CO 0.00 -0.67 1.20 0.94 0.02 0.00 0.00 175.30 176.79 2dat n GLN 35 N 5.12 1.19 -0.09 3.54 7.27 -1.26 -2.55 117.38 130.61 2dat n GLN 35 Ca 0.15 0.46 -0.09 0.00 0.07 0.00 0.00 57.00 57.58 2dat n GLN 35 Cb 0.40 -2.41 -0.03 0.00 2.41 0.00 0.00 30.24 30.61 2dat n GLN 35 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2dat n LEU 36 N -1.26 1.89 -0.14 1.69 4.32 -1.26 -4.31 117.00 117.93 2dat n LEU 36 Ca 0.14 0.44 0.25 0.00 -0.02 0.00 0.00 56.01 56.81 2dat n LEU 36 Cb 0.47 -0.80 0.40 0.00 -1.62 0.00 0.00 43.42 41.87 2dat n LEU 36 CO 0.50 -0.27 1.23 0.77 -1.22 0.00 0.00 177.39 178.39 2dat h SER 37 N -1.00 0.00 -0.37 -1.43 4.64 -1.86 -1.41 113.55 112.11 2dat h SER 37 Ca -0.05 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2dat h SER 37 Cb 0.88 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.91 2dat h SER 37 CO -0.03 0.00 -0.35 -0.33 -0.87 0.00 0.00 176.83 175.25 2dat h GLU 38 N 0.00 -0.15 0.00 4.77 5.08 -1.90 1.12 114.58 123.49 2dat h GLU 38 Ca 0.43 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2dat h GLU 38 Cb 2.76 0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.04 2dat h GLU 38 CO -0.00 -0.10 0.00 1.33 -1.00 0.00 0.00 179.01 179.23 2dat n VAL 39 N -4.35 0.84 -1.08 3.13 0.24 -0.53 -1.39 118.33 115.19 2dat n VAL 39 Ca -0.01 0.21 0.08 0.00 -2.04 0.00 0.00 64.34 62.58 2dat n VAL 39 Cb 0.19 -1.05 0.22 0.00 -1.47 0.00 0.00 33.84 31.72 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 -1.30 0.65 -0.00 6.34 3.01 0.35 -4.75 117.46 121.76 2dat n PHE 40 Ca 0.04 -1.00 -0.00 0.00 1.01 0.00 0.00 57.45 57.50 2dat n PHE 40 Cb 0.08 -0.28 -0.00 0.00 -0.01 0.00 0.00 39.48 39.27 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2dat h ILE 41 N 1.15 0.00 -2.98 4.37 1.08 0.69 -2.84 117.51 118.98 2dat h ILE 41 Ca 0.02 -0.02 -0.62 0.00 -0.39 0.00 0.00 64.86 63.85 2dat h ILE 41 Cb 1.32 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 2dat h ILE 41 CO 0.17 0.00 -0.54 -1.58 -0.69 0.00 0.00 178.15 175.51 2dat s GLN 42 N -1.02 3.23 0.22 2.37 -0.44 -1.26 -3.72 119.66 119.04 2dat s GLN 42 Ca -0.00 -0.55 0.06 0.00 -2.50 0.00 0.00 55.36 52.37 2dat s GLN 42 Cb 0.00 -2.91 -0.04 0.00 -1.64 0.00 0.00 33.01 28.42 2dat s GLN 42 CO 0.00 0.59 0.21 -0.51 0.50 0.00 0.00 175.29 176.08 2dat s LEU 43 N -2.52 3.91 -0.32 3.68 1.43 -1.26 -5.02 118.68 118.59 2dat s LEU 43 Ca 0.33 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 2dat s LEU 43 Cb -0.13 -2.47 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2dat s LEU 43 CO 0.26 -0.01 1.68 -2.16 0.23 0.00 0.00 176.35 176.35 2dat s PRO 44 N -3.61 3.50 -0.15 1.29 0.04 -1.26 -4.90 135.00 129.91 2dat s PRO 44 Ca 0.33 1.40 -0.35 0.00 0.04 0.00 0.00 61.00 62.41 2dat s PRO 44 Cb -0.09 -4.12 -0.16 0.00 0.04 0.00 0.00 34.50 30.16 2dat s PRO 44 CO 0.25 -1.66 1.04 0.43 0.04 0.00 0.00 177.00 177.11 2dat n SER 45 N 9.53 0.36 -0.30 6.66 7.64 -1.26 -4.48 113.62 131.76 2dat n SER 45 Ca 0.21 0.97 0.12 0.00 1.01 0.00 0.00 58.87 61.17 2dat n SER 45 Cb 0.47 -0.75 0.27 0.00 -1.01 0.00 0.00 64.21 63.19 2dat n SER 45 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2dat h ARG 46 N 3.07 0.10 -0.21 1.43 1.12 -1.91 0.16 114.38 118.15 2dat h ARG 46 Ca -0.40 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 58.52 2dat h ARG 46 Cb 1.16 -0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 31.03 2dat h ARG 46 CO 0.63 0.07 -0.21 -0.22 -3.11 0.00 0.00 179.97 177.13 2dat h LYS 47 N 0.11 -0.22 0.84 0.20 3.64 -1.97 0.22 116.57 119.39 2dat h LYS 47 Ca 0.55 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.90 2dat h LYS 47 Cb 1.10 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2dat h LYS 47 CO -0.75 -0.15 -0.41 0.93 -2.27 0.00 0.00 179.45 176.80 2dat h GLU 48 N -0.23 -1.09 -3.18 1.90 4.39 -1.05 -3.37 114.58 111.94 2dat h GLU 48 Ca 0.13 0.07 -0.63 0.00 0.34 0.00 0.00 59.36 59.27 2dat h GLU 48 Cb 0.42 0.25 -0.42 0.00 -0.10 0.00 0.00 28.75 28.90 2dat h GLU 48 CO -0.34 -0.73 -0.59 -1.17 -1.16 0.00 0.00 179.01 175.02 2dat s LEU 49 N -8.97 4.67 0.21 1.33 2.96 -0.51 -4.92 118.68 113.45 2dat s LEU 49 Ca -0.17 -3.59 -0.02 0.00 -0.22 0.00 0.00 54.13 50.13 2dat s LEU 49 Cb 0.02 -1.64 0.18 0.00 0.50 0.00 0.00 46.19 45.25 2dat s LEU 49 CO 0.50 -0.13 1.57 1.55 -1.32 0.00 0.00 176.35 178.52 2dat h PRO 50 N 5.75 0.59 -0.80 0.98 0.13 -0.73 -3.07 132.00 134.84 2dat h PRO 50 Ca 0.07 -0.31 0.13 0.00 -0.87 0.00 0.00 66.00 65.02 2dat h PRO 50 Cb 0.80 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.88 2dat h PRO 50 CO 0.71 0.90 0.52 1.05 -0.23 0.00 0.00 178.00 180.96 2dat h GLU 51 N 0.48 0.55 -0.88 0.86 4.11 -1.91 -0.21 114.58 117.59 2dat h GLU 51 Ca 0.04 -0.03 0.18 0.00 0.07 0.00 0.00 59.36 59.61 2dat h GLU 51 Cb 0.94 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 2dat h GLU 51 CO 0.08 0.37 0.58 -0.92 0.07 0.00 0.00 179.01 179.19 2dat h TYR 52 N 0.57 0.60 0.00 2.06 3.20 -1.92 0.41 116.97 121.89 2dat h TYR 52 Ca 0.39 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.28 2dat h TYR 52 Cb 0.70 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2dat h TYR 52 CO -0.00 0.18 -0.55 0.66 -1.64 0.00 0.00 178.16 176.81 2dat n TYR 53 N -4.52 0.59 0.04 -3.82 4.02 -0.12 -2.61 117.16 110.74 2dat n TYR 53 Ca 0.18 0.17 -0.09 0.00 -0.01 0.00 0.00 57.90 58.15 2dat n TYR 53 Cb 0.62 -0.68 -0.07 0.00 -0.02 0.00 0.00 39.34 39.19 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 -0.19 -0.06 -0.72 5.08 0.14 -3.36 114.58 115.46 2dat h GLU 54 Ca 0.00 0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 2dat h GLU 54 Cb 0.74 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.05 2dat h GLU 54 CO 0.00 0.21 -0.80 1.37 -1.00 0.00 0.00 179.01 178.80 2dat h LEU 55 N -0.92 0.81 -9.34 1.33 -0.00 -1.52 -3.43 115.31 102.24 2dat h LEU 55 Ca -0.02 -0.69 -0.55 0.00 -0.00 0.00 0.00 57.88 56.62 2dat h LEU 55 Cb 0.50 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 2dat h LEU 55 CO 0.03 1.39 0.78 -0.63 -0.00 0.00 0.00 178.44 180.01 2dat s ILE 56 N -3.48 3.96 0.00 0.15 -1.09 -1.07 -4.95 121.20 114.72 2dat s ILE 56 Ca -0.11 1.32 -0.24 0.00 -2.23 0.00 0.00 60.65 59.38 2dat s ILE 56 Cb 0.07 -3.85 -0.14 0.00 -1.58 0.00 0.00 42.46 36.96 2dat s ILE 56 CO 0.88 -0.00 1.04 0.03 -1.23 0.00 0.00 174.94 175.66 2dat h ARG 57 N 7.67 -0.75 -2.68 2.79 2.47 -1.85 -3.42 114.38 118.63 2dat h ARG 57 Ca -0.36 0.05 -0.60 0.00 -1.26 0.00 0.00 59.98 57.81 2dat h ARG 57 Cb 1.17 0.17 -0.39 0.00 -1.65 0.00 0.00 29.97 29.27 2dat h ARG 57 CO 0.89 -0.46 -0.83 0.15 0.56 0.00 0.00 179.97 180.29 2dat s LYS 58 N -4.41 1.20 -0.96 0.04 1.02 -1.26 -5.07 119.74 110.30 2dat s LYS 58 Ca -0.13 -2.15 -0.24 0.00 0.02 0.00 0.00 55.97 53.46 2dat s LYS 58 Cb 0.01 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 2dat s LYS 58 CO 0.41 -1.28 1.94 -1.25 -0.92 0.00 0.00 175.35 174.25 2dat s PRO 59 N 0.06 2.54 0.33 -1.68 0.04 -1.26 -4.88 135.00 130.14 2dat s PRO 59 Ca 0.25 -0.45 -0.01 0.00 0.04 0.00 0.00 61.00 60.83 2dat s PRO 59 Cb -0.09 -5.10 -0.04 0.00 0.04 0.00 0.00 34.50 29.31 2dat s PRO 59 CO -0.11 -3.49 0.55 0.54 0.04 0.00 0.00 177.00 174.53 2dat s VAL 60 N 10.25 5.09 0.25 -0.36 0.11 -1.26 -5.09 120.40 129.40 2dat s VAL 60 Ca 0.70 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 59.43 2dat s VAL 60 Cb -0.06 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2dat s VAL 60 CO 0.02 -0.49 0.13 1.51 -3.33 0.00 0.00 175.10 172.93 2dat s ASP 61 N -3.80 0.97 0.25 3.54 -4.77 -1.26 -4.65 116.67 106.94 2dat s ASP 61 Ca 0.41 -1.44 -0.03 0.00 -3.30 0.00 0.00 52.55 48.19 2dat s ASP 61 Cb -0.10 0.30 0.28 0.00 -1.09 0.00 0.00 42.92 42.31 2dat s ASP 61 CO 0.35 -0.81 1.74 -0.26 0.70 0.00 0.00 175.17 176.89 2dat h PHE 62 N 2.41 0.91 0.00 2.11 0.04 -1.64 -1.41 116.94 119.36 2dat h PHE 62 Ca -0.36 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.27 2dat h PHE 62 Cb 1.25 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2dat h PHE 62 CO 0.60 0.83 -0.04 0.87 -0.60 0.00 0.00 178.31 179.97 2dat h LYS 63 N 0.80 0.00 0.00 1.51 1.57 -1.82 -2.11 116.57 116.52 2dat h LYS 63 Ca 0.16 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 2dat h LYS 63 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2dat h LYS 63 CO 0.02 0.04 -0.94 0.87 -0.57 0.00 0.00 179.45 178.86 2dat h LYS 64 N 0.00 0.00 -0.27 3.15 1.79 -1.70 -3.20 116.57 116.33 2dat h LYS 64 Ca -0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2dat h LYS 64 Cb 0.24 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 2dat h LYS 64 CO 0.00 0.79 -0.19 0.82 -1.08 0.00 0.00 179.45 179.79 2dat h ILE 65 N -1.00 0.47 0.00 1.86 2.04 -1.19 0.33 117.51 120.02 2dat h ILE 65 Ca -0.24 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2dat h ILE 65 Cb 1.09 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2dat h ILE 65 CO -0.14 0.00 -0.12 0.11 0.00 0.00 0.00 178.15 178.00 2dat h LYS 66 N -0.18 0.00 0.00 2.37 1.57 -1.58 -1.01 116.57 117.75 2dat h LYS 66 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2dat h LYS 66 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2dat h LYS 66 CO -0.37 0.12 -0.05 1.49 -0.57 0.00 0.00 179.45 180.07 2dat h GLU 67 N 0.00 0.00 0.09 3.15 4.81 -0.94 -3.01 114.58 118.67 2dat h GLU 67 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2dat h GLU 67 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2dat h GLU 67 CO 0.01 0.05 -1.33 0.00 -0.73 0.00 0.00 179.01 177.01 2dat h ARG 68 N 0.00 0.18 -0.64 1.92 3.08 -0.63 -3.19 114.38 115.10 2dat h ARG 68 Ca -0.00 -0.31 0.13 0.00 0.07 0.00 0.00 59.98 59.86 2dat h ARG 68 Cb 0.44 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.52 2dat h ARG 68 CO 0.01 1.15 0.14 0.82 -1.07 0.00 0.00 179.97 181.01 2dat h ILE 69 N -0.45 0.60 0.00 2.04 2.04 -1.39 0.29 117.51 120.64 2dat h ILE 69 Ca -0.30 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2dat h ILE 69 Cb 1.64 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2dat h ILE 69 CO 0.01 0.05 -0.13 0.08 0.00 0.00 0.00 178.15 178.15 2dat h ARG 70 N 0.26 0.00 -0.63 2.37 -0.00 -1.69 -2.61 114.38 112.08 2dat h ARG 70 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.32 2dat h ARG 70 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.50 2dat h ARG 70 CO -0.44 0.13 0.00 0.09 -0.00 0.00 0.00 179.97 179.75 2dat n ASN 71 N -3.25 3.68 -4.17 0.08 3.02 0.90 -4.91 115.26 110.61 2dat n ASN 71 Ca 0.01 -2.37 -0.35 0.00 -0.03 0.00 0.00 54.58 51.83 2dat n ASN 71 Cb 0.40 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.70 -1.26 -0.01 3.10 8.25 -0.52 -4.81 115.22 120.66 2dat n HIS 72 Ca 0.19 0.57 -0.07 0.00 -0.26 0.00 0.00 57.72 58.15 2dat n HIS 72 Cb 0.71 -1.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.08 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 -0.72 -0.09 -6.23 -0.41 1.79 -1.68 -3.43 116.57 105.81 2dat h LYS 73 Ca -0.49 0.01 -0.42 0.00 -2.18 0.00 0.00 60.65 57.56 2dat h LYS 73 Cb 1.30 0.02 0.22 0.00 -1.58 0.00 0.00 32.23 32.19 2dat h LYS 73 CO 0.74 0.28 -1.65 0.66 -1.08 0.00 0.00 179.45 178.40 2dat n TYR 74 N -4.79 -1.45 0.00 -1.35 4.01 -1.26 -4.89 117.16 107.43 2dat n TYR 74 Ca -0.05 0.38 0.00 0.00 -0.16 0.00 0.00 57.90 58.07 2dat n TYR 74 Cb 0.20 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 37.78 2dat n TYR 74 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2dat n ARG 75 N 0.09 3.02 -3.63 -0.72 -4.01 -1.26 -5.00 116.66 105.15 2dat n ARG 75 Ca -0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.80 2dat n ARG 75 Cb 0.62 -0.68 -0.01 0.00 -3.04 0.00 0.00 32.46 29.35 2dat n ARG 75 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2dat s SER 76 N -1.23 -0.10 0.23 2.89 0.15 -1.26 -5.03 113.70 109.35 2dat s SER 76 Ca 0.00 -0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 2dat s SER 76 Cb 0.00 0.22 0.38 0.00 -1.71 0.00 0.00 66.02 64.91 2dat s SER 76 CO 0.00 -0.40 1.76 0.25 1.20 0.00 0.00 173.24 176.05 2dat h LEU 77 N 2.00 0.39 -0.83 3.45 6.46 -1.99 -2.54 115.31 122.25 2dat h LEU 77 Ca -0.26 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 57.69 2dat h LEU 77 Cb 1.20 0.02 -0.13 0.00 -0.73 0.00 0.00 40.66 41.02 2dat h LEU 77 CO 0.27 0.20 -0.44 1.23 -0.62 0.00 0.00 178.44 179.09 2dat h GLY 78 N 0.54 -0.28 -0.15 3.75 0.00 -2.00 0.41 103.07 105.34 2dat h GLY 78 Ca 0.37 0.58 0.22 0.00 0.00 0.00 0.00 47.33 48.50 2dat h GLY 78 CO -0.32 -0.14 0.45 -0.55 0.00 0.00 0.00 176.54 175.98 2dat h ASP 79 N -0.08 0.44 -0.44 0.19 5.19 -1.86 0.44 116.42 120.30 2dat h ASP 79 Ca 0.25 0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.80 2dat h ASP 79 Cb 0.55 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2dat h ASP 79 CO -0.86 0.05 0.25 0.25 -3.12 0.00 0.00 179.24 175.81 2dat h LEU 80 N 0.47 0.55 0.57 1.55 5.85 -0.24 -2.92 115.31 121.13 2dat h LEU 80 Ca 0.58 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.23 2dat h LEU 80 Cb 1.08 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.97 2dat h LEU 80 CO -0.50 0.45 -0.27 -0.08 -0.34 0.00 0.00 178.44 177.70 2dat h GLU 81 N 0.64 -0.73 -0.96 1.25 4.22 0.45 -1.33 114.58 118.11 2dat h GLU 81 Ca 0.16 0.05 0.28 0.00 0.08 0.00 0.00 59.36 59.93 2dat h GLU 81 Cb 0.02 0.17 -0.18 0.00 0.50 0.00 0.00 28.75 29.25 2dat h GLU 81 CO -0.03 -0.49 0.08 1.63 -2.18 0.00 0.00 179.01 178.02 2dat n LYS 82 N -5.02 -0.07 0.18 1.92 5.02 -0.83 -0.66 118.16 118.70 2dat n LYS 82 Ca -0.09 1.42 -0.08 0.00 -2.02 0.00 0.00 58.31 57.54 2dat n LYS 82 Cb 0.30 -2.29 -0.04 0.00 -0.02 0.00 0.00 35.03 32.99 2dat n LYS 82 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dat h ASP 83 N 0.00 -0.43 -0.99 4.39 5.19 -1.53 -2.61 116.42 120.44 2dat h ASP 83 Ca 0.61 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 57.15 2dat h ASP 83 Cb 1.31 0.11 -0.14 0.00 0.18 0.00 0.00 39.33 40.79 2dat h ASP 83 CO -0.88 -0.15 -0.51 0.58 -3.12 0.00 0.00 179.24 175.16 2dat h VAL 84 N -0.81 0.00 -0.81 -1.35 2.07 0.02 0.60 116.25 115.97 2dat h VAL 84 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.60 2dat h VAL 84 Cb 0.39 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 2dat h VAL 84 CO 0.08 0.00 0.41 0.24 0.02 0.00 0.00 177.57 178.33 2dat h MET 85 N -0.01 0.61 0.89 1.57 2.86 -0.99 -2.57 114.93 117.29 2dat h MET 85 Ca 0.23 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2dat h MET 85 Cb 0.49 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2dat h MET 85 CO -0.96 0.40 -0.45 1.25 1.06 0.00 0.00 176.91 178.22 2dat h LEU 86 N 0.63 -1.07 -1.30 1.22 5.85 0.51 -0.02 115.31 121.13 2dat h LEU 86 Ca 0.43 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.45 2dat h LEU 86 Cb 0.55 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 2dat h LEU 86 CO -0.33 -0.74 1.04 0.25 -0.34 0.00 0.00 178.44 178.32 2dat h LEU 87 N -1.22 0.00 0.00 2.25 6.46 -0.57 1.95 115.31 124.18 2dat h LEU 87 Ca -0.12 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.35 2dat h LEU 87 Cb 0.94 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.82 2dat h LEU 87 CO 0.19 0.00 -1.83 0.00 -0.62 0.00 0.00 178.44 176.18 2dat h HIS 89 N 0.00 -0.06 0.00 0.00 -0.00 0.49 -3.17 115.15 112.41 2dat h HIS 89 Ca -0.32 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 2dat h HIS 89 Cb 1.99 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.42 2dat h HIS 89 CO 0.00 0.58 0.18 -2.95 -0.00 0.00 0.00 177.93 175.74 2dat h ASN 90 N -0.83 0.00 0.09 3.26 7.08 -0.94 -1.53 115.58 122.71 2dat h ASN 90 Ca -0.01 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.21 2dat h ASN 90 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.91 2dat h ASN 90 CO 0.01 0.00 -0.04 0.00 -2.08 0.00 0.00 177.43 175.32 2dat h ALA 91 N 1.54 -0.12 -0.29 4.14 0.00 -1.69 -3.17 119.26 119.67 2dat h ALA 91 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2dat h ALA 91 Cb 0.36 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2dat h ALA 91 CO 0.00 -0.23 0.10 1.96 0.00 0.00 0.00 179.25 181.08 2dat h GLN 92 N -0.81 0.41 -0.57 0.00 4.20 -1.36 0.45 115.11 117.43 2dat h GLN 92 Ca -0.01 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.69 2dat h GLN 92 Cb 0.58 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 2dat h GLN 92 CO 0.02 0.36 0.32 1.15 -0.67 0.00 0.00 178.83 180.01 2dat h THR 93 N 0.41 1.00 0.00 -0.54 2.02 -1.55 -3.32 112.91 110.93 2dat h THR 93 Ca 0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2dat h THR 93 Cb 0.12 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2dat h THR 93 CO -0.01 0.11 -0.51 0.15 0.37 0.00 0.00 175.52 175.63 2dat h PHE 94 N 0.62 0.00 -4.03 3.16 3.57 -1.42 -3.47 116.94 115.36 2dat h PHE 94 Ca 0.24 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 61.19 2dat h PHE 94 Cb 0.10 0.00 0.13 0.00 2.79 0.00 0.00 35.95 38.97 2dat h PHE 94 CO -0.08 0.05 0.65 -0.80 -2.23 0.00 0.00 178.31 175.90 2dat s ASN 95 N -5.76 5.46 1.11 0.41 0.01 0.15 -4.97 114.94 111.36 2dat s ASN 95 Ca -0.15 2.84 -0.16 0.00 -0.71 0.00 0.00 52.86 54.69 2dat s ASN 95 Cb 0.02 -2.64 0.19 0.00 0.41 0.00 0.00 41.25 39.23 2dat s ASN 95 CO 0.22 -1.45 0.35 0.18 -1.51 0.00 0.00 177.10 174.89 2dat n LEU 96 N -0.73 -1.42 -4.99 0.60 4.32 -1.26 -4.56 117.00 108.96 2dat n LEU 96 Ca 0.08 -0.40 -0.19 0.00 -0.02 0.00 0.00 56.01 55.48 2dat n LEU 96 Cb 0.44 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 2dat n LEU 96 CO 0.55 -3.43 0.12 -1.61 -1.22 0.00 0.00 177.39 171.80 2dat s GLU 97 N -3.73 3.03 -0.26 3.23 2.02 -1.26 -4.40 118.70 117.34 2dat s GLU 97 Ca 0.46 -0.98 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 2dat s GLU 97 Cb -0.09 -2.76 0.03 0.00 0.10 0.00 0.00 34.13 31.41 2dat s GLU 97 CO 0.45 -0.07 0.08 0.41 0.02 0.00 0.00 175.26 176.14 2dat n GLY 98 N -1.76 -0.35 1.94 -1.39 0.00 -1.26 -4.84 105.19 97.53 2dat n GLY 98 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2dat n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dat n SER 99 N -1.18 1.05 0.39 1.61 3.41 -1.26 -4.95 113.62 112.68 2dat n SER 99 Ca 0.02 -1.76 -0.15 0.00 -0.26 0.00 0.00 58.87 56.71 2dat n SER 99 Cb 0.36 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2dat n SER 99 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2dat h GLN 100 N 0.00 -0.96 0.82 4.33 5.75 -1.94 -2.83 115.11 120.28 2dat h GLN 100 Ca -0.13 0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 2dat h GLN 100 Cb 0.62 0.22 0.01 0.00 1.07 0.00 0.00 27.48 29.39 2dat h GLN 100 CO 0.19 -0.64 -0.41 0.82 -2.65 0.00 0.00 178.83 176.14 2dat h ILE 101 N -1.09 0.16 -0.72 2.39 2.04 -1.97 -2.90 117.51 115.44 2dat h ILE 101 Ca -0.10 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.88 2dat h ILE 101 Cb 0.76 0.16 -0.12 0.00 -0.74 0.00 0.00 36.82 36.88 2dat h ILE 101 CO 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 178.08 2dat n TYR 102 N -5.58 0.13 -0.22 1.37 4.19 -1.25 0.22 117.16 116.02 2dat n TYR 102 Ca -0.15 0.88 -0.03 0.00 3.31 0.00 0.00 57.90 61.90 2dat n TYR 102 Cb 0.45 -0.83 0.07 0.00 0.49 0.00 0.00 39.34 39.52 2dat n TYR 102 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 2dat h GLU 103 N 0.00 0.72 -0.53 2.98 4.39 -1.36 -2.46 114.58 118.32 2dat h GLU 103 Ca 0.29 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.04 2dat h GLU 103 Cb 0.47 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.88 2dat h GLU 103 CO -0.72 0.48 0.08 0.22 -1.16 0.00 0.00 179.01 177.90 2dat h ASP 104 N 0.74 -0.06 -0.90 1.42 1.82 0.29 -0.73 116.42 119.01 2dat h ASP 104 Ca 0.27 0.10 0.17 0.00 -0.39 0.00 0.00 57.03 57.18 2dat h ASP 104 Cb 0.06 0.16 -0.10 0.00 0.68 0.00 0.00 39.33 40.13 2dat h ASP 104 CO -0.12 -0.01 0.47 0.77 -1.61 0.00 0.00 179.24 178.74 2dat h SER 105 N 0.21 0.56 -0.09 2.28 4.64 -0.87 -1.27 113.55 119.00 2dat h SER 105 Ca 0.27 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2dat h SER 105 Cb 0.38 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2dat h SER 105 CO -0.37 0.20 0.01 0.40 -0.87 0.00 0.00 176.83 176.19 2dat h ILE 106 N 0.62 1.22 0.08 0.95 5.03 -1.10 -3.21 117.51 121.11 2dat h ILE 106 Ca 0.51 -0.70 0.01 0.00 -0.12 0.00 0.00 64.86 64.56 2dat h ILE 106 Cb 0.79 1.51 -0.04 0.00 -3.03 0.00 0.00 36.82 36.06 2dat h ILE 106 CO -0.40 0.20 -0.39 0.58 -0.68 0.00 0.00 178.15 177.46 2dat h VAL 107 N -0.09 0.00 -0.80 1.67 2.07 -0.52 -2.10 116.25 116.47 2dat h VAL 107 Ca 0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.72 2dat h VAL 107 Cb 0.30 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.92 2dat h VAL 107 CO 0.00 0.00 -0.17 0.18 0.02 0.00 0.00 177.57 177.60 2dat n LEU 108 N -4.65 -0.26 0.17 2.57 4.77 -0.75 -0.25 117.00 118.60 2dat n LEU 108 Ca -0.06 1.38 -0.14 0.00 -0.03 0.00 0.00 56.01 57.16 2dat n LEU 108 Cb 0.30 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2dat n LEU 108 CO 0.11 -1.34 0.52 1.56 -1.33 0.00 0.00 177.39 176.91 2dat h GLN 109 N 0.00 -0.69 -1.09 3.23 4.20 -1.39 0.07 115.11 119.45 2dat h GLN 109 Ca 0.40 0.05 0.32 0.00 0.06 0.00 0.00 58.65 59.47 2dat h GLN 109 Cb 0.65 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 2dat h GLN 109 CO -0.82 -0.46 0.95 1.03 -0.67 0.00 0.00 178.83 178.86 2dat h SER 110 N -0.71 0.00 0.11 1.46 0.87 -0.35 0.46 113.55 115.38 2dat h SER 110 Ca -0.03 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.36 2dat h SER 110 Cb 0.65 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2dat h SER 110 CO -0.13 0.00 -0.72 0.58 -0.53 0.00 0.00 176.83 176.03 2dat h VAL 111 N 0.00 1.52 0.81 2.23 2.07 -0.41 -3.17 116.25 119.29 2dat h VAL 111 Ca 0.52 -2.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.56 2dat h VAL 111 Cb 2.41 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 35.29 2dat h VAL 111 CO -0.01 0.69 -0.42 0.15 0.02 0.00 0.00 177.57 178.01 2dat h PHE 112 N -0.36 -1.09 -0.38 1.57 3.04 0.17 -1.55 116.94 118.33 2dat h PHE 112 Ca -0.12 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.86 2dat h PHE 112 Cb 1.54 0.37 -0.08 0.00 2.56 0.00 0.00 35.95 40.34 2dat h PHE 112 CO 0.19 -0.66 -0.53 0.87 -2.02 0.00 0.00 178.31 176.16 2dat h LYS 113 N -1.12 -0.39 0.00 1.11 1.57 -1.45 0.84 116.57 117.12 2dat h LYS 113 Ca -0.11 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2dat h LYS 113 Cb 0.87 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dat h LYS 113 CO 0.16 -0.26 0.08 0.77 -0.57 0.00 0.00 179.45 179.63 2dat h SER 114 N -0.41 0.00 0.00 0.86 0.02 -1.52 -1.88 113.55 110.62 2dat h SER 114 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2dat h SER 114 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2dat h SER 114 CO -0.58 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.02 2dat h ALA 115 N 1.81 0.00 -0.06 3.77 0.00 0.17 -1.18 119.26 123.76 2dat h ALA 115 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dat h ALA 115 Cb 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dat h ALA 115 CO 0.00 0.09 0.23 0.07 0.00 0.00 0.00 179.25 179.64 2dat h ARG 116 N -0.79 0.00 0.08 0.00 0.11 -0.66 -0.75 114.38 112.36 2dat h ARG 116 Ca 0.00 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.72 2dat h ARG 116 Cb 0.09 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.14 2dat h ARG 116 CO 0.00 0.00 -2.03 0.00 0.10 0.00 0.00 179.97 178.04 2dat n GLN 117 N -3.16 0.72 -2.39 0.08 10.64 -0.73 -4.76 117.38 117.78 2dat n GLN 117 Ca -0.01 0.24 -0.40 0.00 -1.83 0.00 0.00 57.00 55.00 2dat n GLN 117 Cb 0.31 -1.69 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 2dat n GLN 117 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2dat s SER 118 N -6.72 5.91 0.00 2.61 0.15 -0.29 -4.83 113.70 110.52 2dat s SER 118 Ca -0.20 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2dat s SER 118 Cb 0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2dat s SER 118 CO 0.76 -2.00 0.00 0.61 1.20 0.00 0.00 173.24 173.81 2dat n GLY 119 N 5.69 3.43 3.61 9.45 0.00 -1.26 -4.85 105.19 121.26 2dat n GLY 119 Ca 0.12 -0.07 -0.30 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 -0.50 -0.89 0.00 1.61 0.04 -1.26 -5.03 135.00 128.96 2dat s PRO 120 Ca 0.00 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2dat s PRO 120 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.92 2dat s PRO 120 CO 0.00 -3.52 0.00 -1.13 0.04 0.00 0.00 177.00 172.39 2dat n SER 121 N -4.64 0.41 -4.57 6.66 3.41 -1.26 -4.97 113.62 108.66 2dat n SER 121 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.31 2dat n SER 121 Cb 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2dat n SER 121 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dat s SER 122 N -4.43 6.61 0.00 4.04 0.15 -1.26 -5.23 113.70 113.58 2dat s SER 122 Ca 0.00 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 54.84 2dat s SER 122 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2dat s SER 122 CO 0.00 -1.40 0.00 0.61 1.20 0.00 0.00 173.24 173.65