#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat n SER 2 N 0.00 1.30 -4.13 1.61 3.41 -1.26 -4.75 113.62 109.80 2dat n SER 2 Ca 0.00 -1.86 -0.33 0.00 -0.26 0.00 0.00 58.87 56.42 2dat n SER 2 Cb 0.00 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 2dat n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dat s SER 3 N -1.21 3.21 0.00 4.04 0.15 -1.26 -5.03 113.70 113.60 2dat s SER 3 Ca 0.22 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2dat s SER 3 Cb 0.12 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2dat s SER 3 CO 0.17 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2dat n GLY 4 N 4.63 2.57 3.55 9.45 0.00 -1.26 -5.03 105.19 119.11 2dat n GLY 4 Ca -0.21 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 1.81 -4.20 1.61 7.64 -1.26 -4.90 113.62 114.32 2dat n SER 5 Ca 0.00 -1.15 -0.31 0.00 1.01 0.00 0.00 58.87 58.42 2dat n SER 5 Cb 0.00 -1.59 -0.17 0.00 -1.01 0.00 0.00 64.21 61.44 2dat n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dat s SER 6 N 10.89 2.99 0.00 6.43 0.01 -1.26 -4.89 113.70 127.87 2dat s SER 6 Ca 0.97 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2dat s SER 6 Cb -0.19 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2dat s SER 6 CO 0.16 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2dat n GLY 7 N 3.57 -1.17 2.63 3.44 0.00 -1.26 -5.14 105.19 107.26 2dat n GLY 7 Ca -0.19 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 2dat n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dat n SER 8 N 0.00 -1.69 -4.77 1.61 2.88 -1.26 -4.85 113.62 105.53 2dat n SER 8 Ca 0.00 0.75 -0.37 0.00 -1.33 0.00 0.00 58.87 57.92 2dat n SER 8 Cb 0.00 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 62.73 2dat n SER 8 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dat s PRO 9 N -0.79 3.71 0.57 -1.46 0.04 -1.26 -5.01 135.00 130.80 2dat s PRO 9 Ca 0.48 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 63.09 2dat s PRO 9 Cb -0.61 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.53 2dat s PRO 9 CO 0.47 -0.58 1.10 -0.80 0.04 0.00 0.00 177.00 177.23 2dat s ASN 10 N -1.41 5.70 0.92 6.66 0.01 -1.26 -5.03 114.94 120.53 2dat s ASN 10 Ca 0.65 2.04 -0.12 0.00 -0.71 0.00 0.00 52.86 54.72 2dat s ASN 10 Cb -0.28 -2.56 0.15 0.00 0.41 0.00 0.00 41.25 38.96 2dat s ASN 10 CO 0.34 -1.23 1.09 -2.16 -1.51 0.00 0.00 177.10 173.63 2dat s PRO 11 N -3.57 1.03 0.38 -0.60 0.04 -1.26 -4.84 135.00 126.18 2dat s PRO 11 Ca 0.69 0.74 0.17 0.00 0.04 0.00 0.00 61.00 62.64 2dat s PRO 11 Cb -0.21 -1.79 0.77 0.00 0.04 0.00 0.00 34.50 33.31 2dat s PRO 11 CO 0.30 -2.38 1.80 -1.00 0.04 0.00 0.00 177.00 175.76 2dat h PRO 12 N -1.64 0.00 0.23 0.56 0.13 -1.98 -1.85 132.00 127.45 2dat h PRO 12 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2dat h PRO 12 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2dat h PRO 12 CO 0.55 0.37 -0.11 -0.22 -0.23 0.00 0.00 178.00 178.36 2dat h LYS 13 N 0.00 -0.30 0.03 0.86 1.63 -1.99 -1.34 116.57 115.46 2dat h LYS 13 Ca -0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2dat h LYS 13 Cb 0.77 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2dat h LYS 13 CO 0.05 0.04 -0.02 1.25 -3.45 0.00 0.00 179.45 177.32 2dat h LEU 14 N -0.67 -0.04 0.01 5.20 6.46 -1.95 -2.80 115.31 121.52 2dat h LEU 14 Ca -0.03 -0.32 0.03 0.00 -0.12 0.00 0.00 57.88 57.44 2dat h LEU 14 Cb 0.47 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.36 2dat h LEU 14 CO 0.05 0.30 -0.36 0.74 -0.62 0.00 0.00 178.44 178.56 2dat h THR 15 N -0.38 0.25 -0.64 1.05 2.02 -1.42 -2.14 112.91 111.64 2dat h THR 15 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 2dat h THR 15 Cb 0.36 0.25 -0.11 0.00 -1.74 0.00 0.00 68.15 66.90 2dat h THR 15 CO 0.01 0.00 -0.03 0.11 0.37 0.00 0.00 175.52 175.98 2dat h LYS 16 N -0.52 0.09 -0.69 6.66 1.79 -1.29 -1.12 116.57 121.50 2dat h LYS 16 Ca 0.06 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.64 2dat h LYS 16 Cb 0.60 -0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 31.10 2dat h LYS 16 CO -0.28 0.06 -0.29 0.37 -1.08 0.00 0.00 179.45 178.23 2dat h GLN 17 N 0.09 -0.09 -0.46 3.15 5.75 -1.11 0.61 115.11 123.05 2dat h GLN 17 Ca 0.33 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.93 2dat h GLN 17 Cb 0.54 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 29.02 2dat h GLN 17 CO -0.57 -0.06 -0.18 0.52 -2.65 0.00 0.00 178.83 175.89 2dat h MET 18 N -0.09 -0.07 0.13 1.69 2.86 -1.03 -1.91 114.93 116.50 2dat h MET 18 Ca 0.29 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2dat h MET 18 Cb 0.56 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2dat h MET 18 CO -0.74 -0.05 -0.15 -0.91 1.06 0.00 0.00 176.91 176.12 2dat h ASN 19 N -0.08 -0.39 -0.93 1.22 2.35 -0.84 -2.49 115.58 114.42 2dat h ASN 19 Ca 0.22 0.04 0.23 0.00 -0.55 0.00 0.00 56.30 56.25 2dat h ASN 19 Cb 0.42 0.14 -0.17 0.00 0.05 0.00 0.00 38.32 38.76 2dat h ASN 19 CO -0.52 -0.22 -0.02 0.00 -1.65 0.00 0.00 177.43 175.02 2dat h ALA 20 N 0.53 0.99 0.17 -0.83 0.00 -0.32 0.48 119.26 120.28 2dat h ALA 20 Ca 0.01 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2dat h ALA 20 Cb 0.30 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2dat h ALA 20 CO -0.05 -0.50 -0.08 0.82 0.00 0.00 0.00 179.25 179.44 2dat h ILE 21 N 0.03 0.00 -0.15 0.00 2.04 -1.07 -2.64 117.51 115.73 2dat h ILE 21 Ca 0.53 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.38 2dat h ILE 21 Cb 1.02 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2dat h ILE 21 CO -0.87 0.00 -0.44 0.40 0.00 0.00 0.00 178.15 177.24 2dat h ILE 22 N -0.26 0.00 -0.85 -0.67 1.08 -0.97 -0.38 117.51 115.45 2dat h ILE 22 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.52 2dat h ILE 22 Cb 0.18 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 33.82 2dat h ILE 22 CO 0.04 0.00 -0.50 -0.67 -0.69 0.00 0.00 178.15 176.33 2dat n ASP 23 N -4.85 -0.90 -0.09 1.72 -0.08 0.16 0.18 116.55 112.69 2dat n ASP 23 Ca -0.05 1.52 0.09 0.00 -1.51 0.00 0.00 54.79 54.84 2dat n ASP 23 Cb 0.30 -0.20 0.44 0.00 2.34 0.00 0.00 41.12 44.00 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2dat h THR 24 N 0.00 0.98 0.25 5.18 2.02 -1.04 0.35 112.91 120.64 2dat h THR 24 Ca 0.14 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2dat h THR 24 Cb 0.35 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2dat h THR 24 CO -0.80 0.10 -0.12 0.58 0.37 0.00 0.00 175.52 175.65 2dat h VAL 25 N 0.54 0.00 -0.76 3.16 2.07 0.36 -1.03 116.25 120.60 2dat h VAL 25 Ca 0.26 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2dat h VAL 25 Cb 0.32 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 2dat h VAL 25 CO -0.07 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.33 2dat h ILE 26 N -0.58 0.92 -0.51 4.57 2.04 -0.05 -1.21 117.51 122.68 2dat h ILE 26 Ca -0.03 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2dat h ILE 26 Cb 0.25 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2dat h ILE 26 CO 0.06 0.13 0.13 0.78 0.00 0.00 0.00 178.15 179.25 2dat h ASN 27 N 0.73 0.72 -2.11 1.72 4.21 -0.40 -3.40 115.58 117.04 2dat h ASN 27 Ca 0.36 -0.12 -0.60 0.00 1.21 0.00 0.00 56.30 57.15 2dat h ASN 27 Cb 0.31 -0.19 0.17 0.00 -1.12 0.00 0.00 38.32 37.49 2dat h ASN 27 CO -0.23 0.70 -0.98 0.00 -1.29 0.00 0.00 177.43 175.63 2dat n TYR 28 N -4.29 -2.35 -4.06 1.19 4.19 -0.39 -4.99 117.16 106.46 2dat n TYR 28 Ca 0.04 0.49 -0.12 0.00 3.31 0.00 0.00 57.90 61.61 2dat n TYR 28 Cb 0.21 -1.75 -0.11 0.00 0.49 0.00 0.00 39.34 38.18 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 -1.19 0.53 0.00 2.98 -2.85 -1.26 -4.32 119.74 113.63 2dat s LYS 29 Ca 0.59 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.76 2dat s LYS 29 Cb -0.51 -0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.03 2dat s LYS 29 CO 0.63 0.03 0.00 -3.47 0.10 0.00 0.00 175.35 172.64 2dat n ASP 30 N 1.32 0.00 -3.00 0.03 -0.08 -1.24 -5.01 116.55 108.56 2dat n ASP 30 Ca -0.22 0.12 -0.15 0.00 -1.51 0.00 0.00 54.79 53.03 2dat n ASP 30 Cb 0.55 -0.43 0.12 0.00 2.34 0.00 0.00 41.12 43.70 2dat n ASP 30 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2dat n SER 31 N -2.19 -0.78 -2.04 1.67 7.64 -1.26 -4.85 113.62 111.81 2dat n SER 31 Ca 0.00 -1.03 -0.08 0.00 1.01 0.00 0.00 58.87 58.76 2dat n SER 31 Cb 0.00 -0.51 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 2dat n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dat n SER 32 N -3.70 4.19 0.00 6.43 3.41 -1.26 -4.17 113.62 118.52 2dat n SER 32 Ca 0.08 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.43 2dat n SER 32 Cb 0.29 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dat n GLY 33 N 2.48 1.92 3.10 5.00 0.00 -1.26 -5.14 105.19 111.29 2dat n GLY 33 Ca 0.30 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 2dat n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dat n ARG 34 N 0.00 -0.13 -4.19 1.61 3.00 -1.26 -4.89 116.66 110.79 2dat n ARG 34 Ca 0.00 -0.03 -0.16 0.00 -0.01 0.00 0.00 57.85 57.65 2dat n ARG 34 Cb 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 32.46 31.14 2dat n ARG 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2dat s GLN 35 N -2.40 0.89 -0.16 5.56 0.74 -1.26 -3.70 119.66 119.33 2dat s GLN 35 Ca 0.44 -1.14 -0.12 0.00 0.05 0.00 0.00 55.36 54.59 2dat s GLN 35 Cb -0.15 -0.69 -0.05 0.00 1.10 0.00 0.00 33.01 33.22 2dat s GLN 35 CO 0.77 0.12 -0.18 1.28 -0.55 0.00 0.00 175.29 176.73 2dat n LEU 36 N 0.68 1.84 0.15 3.68 4.77 -1.26 -4.18 117.00 122.68 2dat n LEU 36 Ca -0.17 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 2dat n LEU 36 Cb 0.57 -0.86 0.39 0.00 -2.33 0.00 0.00 43.42 41.19 2dat n LEU 36 CO 0.26 -0.36 1.12 0.77 -1.33 0.00 0.00 177.39 177.85 2dat h SER 37 N -1.00 0.00 -0.69 -1.43 4.64 -1.86 -0.20 113.55 113.01 2dat h SER 37 Ca -0.04 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.42 2dat h SER 37 Cb 0.68 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.65 2dat h SER 37 CO -0.03 0.00 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.55 2dat h GLU 38 N 0.00 0.07 -0.00 4.77 4.39 -1.90 1.17 114.58 123.08 2dat h GLU 38 Ca 0.16 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2dat h GLU 38 Cb 1.85 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2dat h GLU 38 CO -0.00 0.04 -0.05 1.33 -1.16 0.00 0.00 179.01 179.17 2dat n VAL 39 N -5.37 0.00 -0.39 3.13 0.24 -0.09 -3.14 118.33 112.72 2dat n VAL 39 Ca 0.11 -0.02 0.05 0.00 -2.04 0.00 0.00 64.34 62.44 2dat n VAL 39 Cb 0.40 -0.35 0.12 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.21 0.32 0.00 6.34 3.72 0.29 -4.80 117.46 122.12 2dat n PHE 40 Ca 0.13 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 2dat n PHE 40 Cb 0.26 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.29 0.00 -3.78 4.37 2.08 0.33 -2.23 119.36 119.83 2dat n ILE 41 Ca 0.10 0.97 -0.21 0.00 0.56 0.00 0.00 62.75 64.17 2dat n ILE 41 Cb 0.48 -1.83 -0.03 0.00 -0.75 0.00 0.00 39.64 37.51 2dat n ILE 41 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 2dat s GLN 42 N -1.57 2.71 0.29 0.38 -0.21 -1.26 -3.01 119.66 116.99 2dat s GLN 42 Ca 0.00 -1.31 -0.03 0.00 0.02 0.00 0.00 55.36 54.04 2dat s GLN 42 Cb 0.00 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.49 2dat s GLN 42 CO 0.00 0.06 0.53 -0.51 -2.12 0.00 0.00 175.29 173.26 2dat s LEU 43 N -4.01 4.06 0.41 2.90 1.43 -1.26 -4.99 118.68 117.23 2dat s LEU 43 Ca 0.42 0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 53.89 2dat s LEU 43 Cb -0.06 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 2dat s LEU 43 CO 0.27 -0.20 1.18 -2.16 0.23 0.00 0.00 176.35 175.67 2dat s PRO 44 N -3.69 3.98 -0.08 1.29 0.04 -1.26 -4.97 135.00 130.31 2dat s PRO 44 Ca 0.42 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 2dat s PRO 44 Cb -0.11 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2dat s PRO 44 CO 0.31 -0.39 1.33 -1.12 0.04 0.00 0.00 177.00 177.17 2dat s SER 45 N -1.13 6.92 0.17 6.66 0.01 -1.26 -4.81 113.70 120.26 2dat s SER 45 Ca 0.58 1.90 -0.17 0.00 1.31 0.00 0.00 55.95 59.58 2dat s SER 45 Cb -0.31 -2.55 0.14 0.00 0.21 0.00 0.00 66.02 63.51 2dat s SER 45 CO 0.39 -0.72 1.26 -1.14 0.41 0.00 0.00 173.24 173.44 2dat n ARG 46 N 5.93 -0.23 -0.29 12.44 0.63 -1.26 0.17 116.66 134.05 2dat n ARG 46 Ca 0.13 1.25 0.04 0.00 -0.92 0.00 0.00 57.85 58.35 2dat n ARG 46 Cb 0.45 -1.85 0.17 0.00 0.45 0.00 0.00 32.46 31.68 2dat n ARG 46 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2dat h LYS 47 N 0.00 0.72 0.56 -0.14 3.11 -1.97 0.60 116.57 119.45 2dat h LYS 47 Ca 0.25 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.02 2dat h LYS 47 Cb 0.45 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.52 2dat h LYS 47 CO -0.80 0.48 -0.27 0.93 -2.81 0.00 0.00 179.45 176.98 2dat h GLU 48 N 0.74 -0.73 -2.55 1.90 4.39 0.14 -3.40 114.58 115.07 2dat h GLU 48 Ca 0.40 0.05 -0.60 0.00 0.34 0.00 0.00 59.36 59.56 2dat h GLU 48 Cb 0.42 0.17 -0.40 0.00 -0.10 0.00 0.00 28.75 28.83 2dat h GLU 48 CO -0.27 -0.45 -0.78 -0.11 -1.16 0.00 0.00 179.01 176.23 2dat n LEU 49 N -5.29 1.58 0.02 1.33 7.94 0.13 -4.96 117.00 117.76 2dat n LEU 49 Ca -0.10 -4.90 -0.13 0.00 -1.11 0.00 0.00 56.01 49.77 2dat n LEU 49 Cb 0.32 -0.12 -0.09 0.00 0.53 0.00 0.00 43.42 44.06 2dat n LEU 49 CO 0.26 1.88 0.59 1.55 -1.11 0.00 0.00 177.39 180.56 2dat h PRO 50 N 5.08 -0.09 -0.94 1.96 0.13 0.03 -3.27 132.00 134.89 2dat h PRO 50 Ca 0.19 0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.52 2dat h PRO 50 Cb 0.81 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 31.78 2dat h PRO 50 CO 0.59 0.36 -0.18 1.05 -0.23 0.00 0.00 178.00 179.58 2dat h GLU 51 N -0.58 0.01 -0.85 0.86 4.11 -1.93 0.32 114.58 116.51 2dat h GLU 51 Ca -0.01 -0.00 0.27 0.00 0.07 0.00 0.00 59.36 59.69 2dat h GLU 51 Cb 0.50 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.59 2dat h GLU 51 CO 0.02 0.00 0.14 0.98 0.07 0.00 0.00 179.01 180.22 2dat n TYR 52 N -5.57 0.67 -0.08 2.06 9.36 -1.23 0.23 117.16 122.60 2dat n TYR 52 Ca 0.16 1.01 -0.12 0.00 3.32 0.00 0.00 57.90 62.28 2dat n TYR 52 Cb 0.52 -1.21 0.01 0.00 -0.63 0.00 0.00 39.34 38.02 2dat n TYR 52 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 2dat h TYR 53 N 0.00 0.99 -0.53 2.98 0.05 -0.55 -1.09 116.97 118.83 2dat h TYR 53 Ca 0.57 -0.31 0.11 0.00 0.05 0.00 0.00 58.73 59.15 2dat h TYR 53 Cb 1.30 -0.20 -0.10 0.00 1.01 0.00 0.00 36.73 38.73 2dat h TYR 53 CO -0.31 1.10 -0.20 0.93 -1.05 0.00 0.00 178.16 178.63 2dat h GLU 54 N 0.66 -0.07 0.01 4.88 4.39 0.31 -2.71 114.58 122.05 2dat h GLU 54 Ca 0.04 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 2dat h GLU 54 Cb 1.01 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2dat h GLU 54 CO 0.10 -0.05 -0.15 1.37 -1.16 0.00 0.00 179.01 179.12 2dat h LEU 55 N -0.07 0.11 -9.12 1.33 -0.00 -1.47 -3.43 115.31 102.66 2dat h LEU 55 Ca 0.25 -0.86 -0.56 0.00 -0.00 0.00 0.00 57.88 56.71 2dat h LEU 55 Cb 0.46 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 2dat h LEU 55 CO -0.58 0.95 1.09 -0.63 -0.00 0.00 0.00 178.44 179.27 2dat s ILE 56 N -2.80 3.74 0.00 0.15 -1.09 -0.41 -4.94 121.20 115.85 2dat s ILE 56 Ca -0.17 0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 59.09 2dat s ILE 56 Cb -0.01 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.19 2dat s ILE 56 CO 0.72 -0.20 0.68 0.03 -1.23 0.00 0.00 174.94 174.93 2dat h ARG 57 N 10.04 -0.09 -3.42 2.79 3.08 -1.85 -3.41 114.38 121.51 2dat h ARG 57 Ca -0.34 0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.05 2dat h ARG 57 Cb 1.15 0.02 -0.39 0.00 0.08 0.00 0.00 29.97 30.83 2dat h ARG 57 CO 0.98 -0.06 -0.51 -1.59 -1.07 0.00 0.00 179.97 177.72 2dat s LYS 58 N -2.49 2.27 0.57 0.04 -2.85 -1.26 -5.06 119.74 110.95 2dat s LYS 58 Ca -0.01 -2.67 -0.18 0.00 -1.00 0.00 0.00 55.97 52.10 2dat s LYS 58 Cb 0.00 -3.50 -0.04 0.00 -2.06 0.00 0.00 37.83 32.23 2dat s LYS 58 CO 0.04 -1.15 1.12 -1.25 0.10 0.00 0.00 175.35 174.21 2dat s PRO 59 N -0.34 3.22 0.03 1.78 0.04 -1.26 -4.97 135.00 133.50 2dat s PRO 59 Ca 0.18 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2dat s PRO 59 Cb -0.22 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.39 2dat s PRO 59 CO -0.03 -0.94 0.58 0.54 0.04 0.00 0.00 177.00 177.20 2dat s VAL 60 N -1.91 0.01 0.22 -0.36 0.11 -1.26 -5.09 120.40 112.12 2dat s VAL 60 Ca 0.71 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 2dat s VAL 60 Cb -0.23 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2dat s VAL 60 CO 0.30 -0.07 0.09 -0.90 -3.33 0.00 0.00 175.10 171.19 2dat n ASP 61 N 0.48 0.97 -0.01 3.54 5.75 -1.26 -4.68 116.55 121.35 2dat n ASP 61 Ca -0.18 -2.19 -0.18 0.00 -0.01 0.00 0.00 54.79 52.23 2dat n ASP 61 Cb 0.60 0.59 -0.09 0.00 -1.03 0.00 0.00 41.12 41.19 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 1.39 0.90 0.15 2.11 0.04 -1.44 -3.00 116.94 117.09 2dat h PHE 62 Ca -0.17 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.17 2dat h PHE 62 Cb 0.66 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 2dat h PHE 62 CO 0.00 1.25 -0.27 0.87 -0.60 0.00 0.00 178.31 179.55 2dat h LYS 63 N 0.29 -0.44 -0.49 1.51 1.79 -1.79 -1.11 116.57 116.34 2dat h LYS 63 Ca -0.07 0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.53 2dat h LYS 63 Cb 1.39 0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 32.04 2dat h LYS 63 CO 0.15 -0.29 -0.17 -0.22 -1.08 0.00 0.00 179.45 177.84 2dat h LYS 64 N -0.45 -0.05 -0.67 3.15 1.63 -1.87 -0.64 116.57 117.66 2dat h LYS 64 Ca -0.02 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.93 2dat h LYS 64 Cb 0.43 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 31.95 2dat h LYS 64 CO -0.10 -0.03 -0.03 0.82 -3.45 0.00 0.00 179.45 176.65 2dat h ILE 65 N -0.05 0.41 -0.08 2.00 2.04 -1.34 0.37 117.51 120.86 2dat h ILE 65 Ca 0.24 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2dat h ILE 65 Cb 0.41 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2dat h ILE 65 CO -0.53 0.02 -0.23 0.11 0.00 0.00 0.00 178.15 177.51 2dat h LYS 66 N 0.09 0.13 0.28 2.37 1.57 0.14 -3.05 116.57 118.09 2dat h LYS 66 Ca 0.35 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2dat h LYS 66 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dat h LYS 66 CO -0.60 0.36 -0.16 1.49 -0.57 0.00 0.00 179.45 179.97 2dat h GLU 67 N 0.12 -0.39 -0.87 3.15 4.81 0.10 -2.63 114.58 118.88 2dat h GLU 67 Ca 0.02 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.50 2dat h GLU 67 Cb 0.48 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 29.82 2dat h GLU 67 CO 0.03 -0.26 0.30 0.00 -0.73 0.00 0.00 179.01 178.35 2dat h ARG 68 N -0.41 0.30 0.58 1.92 3.08 -1.29 0.32 114.38 118.88 2dat h ARG 68 Ca -0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2dat h ARG 68 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2dat h ARG 68 CO 0.04 0.20 -0.38 0.82 -1.07 0.00 0.00 179.97 179.57 2dat h ILE 69 N 0.30 0.22 0.00 2.04 2.04 -1.52 0.37 117.51 120.97 2dat h ILE 69 Ca 0.54 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.40 2dat h ILE 69 Cb 1.03 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2dat h ILE 69 CO -0.57 0.00 0.00 0.03 0.00 0.00 0.00 178.15 177.61 2dat h ARG 70 N -0.92 0.00 -0.61 2.37 3.08 -0.94 -1.06 114.38 116.29 2dat h ARG 70 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2dat h ARG 70 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2dat h ARG 70 CO 0.05 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.04 2dat n ASN 71 N -2.79 5.45 -3.95 7.04 3.02 0.10 -4.92 115.26 119.21 2dat n ASN 71 Ca -0.01 -2.82 -0.34 0.00 -0.03 0.00 0.00 54.58 51.39 2dat n ASN 71 Cb 0.16 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.60 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 0.71 -0.94 -0.01 3.10 8.25 -0.40 -4.76 115.22 121.18 2dat n HIS 72 Ca 0.27 0.55 -0.19 0.00 -0.26 0.00 0.00 57.72 58.09 2dat n HIS 72 Cb 1.12 -1.55 -0.14 0.00 1.12 0.00 0.00 29.99 30.55 2dat n HIS 72 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2dat n LYS 73 N -3.40 0.73 -1.57 -0.41 3.00 0.03 -4.85 118.16 111.69 2dat n LYS 73 Ca 0.07 0.26 -0.45 0.00 -0.00 0.00 0.00 58.31 58.19 2dat n LYS 73 Cb 0.38 -1.71 -0.04 0.00 0.00 0.00 0.00 35.03 33.66 2dat n LYS 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2dat n TYR 74 N -3.39 1.93 -0.36 5.64 4.01 -1.24 -4.83 117.16 118.92 2dat n TYR 74 Ca -0.30 -0.06 0.06 0.00 -0.16 0.00 0.00 57.90 57.44 2dat n TYR 74 Cb 1.05 -2.69 0.22 0.00 -0.31 0.00 0.00 39.34 37.60 2dat n TYR 74 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2dat h ARG 75 N 14.13 0.99 -2.61 -0.72 2.43 -1.97 -3.45 114.38 123.18 2dat h ARG 75 Ca -0.39 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 58.80 2dat h ARG 75 Cb 1.26 -0.22 -0.12 0.00 -0.42 0.00 0.00 29.97 30.47 2dat h ARG 75 CO 0.97 0.66 0.37 0.45 -1.51 0.00 0.00 179.97 180.91 2dat s SER 76 N -5.73 -0.38 0.26 -3.80 0.15 -1.26 -5.04 113.70 97.89 2dat s SER 76 Ca -0.12 -0.15 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 2dat s SER 76 Cb 0.21 0.52 0.53 0.00 -1.71 0.00 0.00 66.02 65.57 2dat s SER 76 CO 0.81 -0.87 1.70 0.25 1.20 0.00 0.00 173.24 176.32 2dat h LEU 77 N 2.00 0.14 -0.85 3.45 5.85 -1.93 -1.20 115.31 122.78 2dat h LEU 77 Ca -0.26 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.78 2dat h LEU 77 Cb 1.26 0.16 -0.16 0.00 0.37 0.00 0.00 40.66 42.30 2dat h LEU 77 CO 0.31 -0.00 -0.17 1.23 -0.34 0.00 0.00 178.44 179.47 2dat h GLY 78 N 0.34 0.69 0.45 3.75 0.00 -1.99 -0.16 103.07 106.14 2dat h GLY 78 Ca 0.45 0.25 0.03 0.00 0.00 0.00 0.00 47.33 48.06 2dat h GLY 78 CO -0.50 -0.33 -0.26 -0.55 0.00 0.00 0.00 176.54 174.89 2dat h ASP 79 N 0.01 -0.76 -0.75 0.19 5.19 -1.63 -2.46 116.42 116.20 2dat h ASP 79 Ca 0.42 0.10 0.15 0.00 -0.62 0.00 0.00 57.03 57.08 2dat h ASP 79 Cb 0.68 0.31 -0.14 0.00 0.18 0.00 0.00 39.33 40.36 2dat h ASP 79 CO -0.85 -0.34 -0.20 -0.11 -3.12 0.00 0.00 179.24 174.62 2dat n LEU 80 N -5.38 -0.29 0.03 1.55 7.94 -0.08 0.69 117.00 121.47 2dat n LEU 80 Ca -0.05 1.29 -0.12 0.00 -1.11 0.00 0.00 56.01 56.02 2dat n LEU 80 Cb 0.29 -0.38 -0.05 0.00 0.53 0.00 0.00 43.42 43.80 2dat n LEU 80 CO 0.22 -1.23 0.62 -0.08 -1.11 0.00 0.00 177.39 175.81 2dat h GLU 81 N 0.00 -0.46 -0.91 1.96 4.81 -1.38 -0.01 114.58 118.59 2dat h GLU 81 Ca 0.35 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.85 2dat h GLU 81 Cb 0.54 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.86 2dat h GLU 81 CO -0.77 -0.30 0.02 0.87 -0.73 0.00 0.00 179.01 178.10 2dat h LYS 82 N -0.47 0.05 0.35 1.92 1.79 0.24 0.23 116.57 120.68 2dat h LYS 82 Ca 0.07 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2dat h LYS 82 Cb 0.59 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2dat h LYS 82 CO -0.33 0.04 -0.17 -0.44 -1.08 0.00 0.00 179.45 177.47 2dat h ASP 83 N 0.06 -0.40 -0.86 0.86 5.19 -1.05 -2.19 116.42 118.03 2dat h ASP 83 Ca 0.53 0.01 0.12 0.00 -0.62 0.00 0.00 57.03 57.08 2dat h ASP 83 Cb 1.04 0.10 -0.13 0.00 0.18 0.00 0.00 39.33 40.52 2dat h ASP 83 CO -0.83 -0.17 -0.44 0.58 -3.12 0.00 0.00 179.24 175.26 2dat h VAL 84 N -0.71 0.03 -0.99 -1.35 2.07 -0.32 0.61 116.25 115.60 2dat h VAL 84 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.58 2dat h VAL 84 Cb 0.36 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.09 2dat h VAL 84 CO 0.08 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.54 2dat h MET 85 N -0.07 1.00 -0.62 1.57 2.86 -0.66 -1.44 114.93 117.56 2dat h MET 85 Ca 0.25 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2dat h MET 85 Cb 0.54 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2dat h MET 85 CO -0.88 0.66 0.23 1.25 1.06 0.00 0.00 176.91 179.24 2dat h LEU 86 N 1.03 0.87 -0.87 1.22 5.85 0.78 -1.87 115.31 122.32 2dat h LEU 86 Ca 0.47 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 59.10 2dat h LEU 86 Cb 0.40 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2dat h LEU 86 CO -0.23 0.81 0.52 0.25 -0.34 0.00 0.00 178.44 179.45 2dat h LEU 87 N 0.87 0.77 0.13 2.25 6.46 0.25 -2.08 115.31 123.96 2dat h LEU 87 Ca 0.20 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2dat h LEU 87 Cb 0.23 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2dat h LEU 87 CO -0.01 0.45 -0.06 0.00 -0.62 0.00 0.00 178.44 178.19 2dat h HIS 89 N -0.60 -1.00 -0.89 0.00 -0.00 -0.99 0.94 115.15 112.61 2dat h HIS 89 Ca -0.02 0.08 0.27 0.00 -0.00 0.00 0.00 60.37 60.70 2dat h HIS 89 Cb 0.47 0.53 -0.17 0.00 -0.00 0.00 0.00 27.41 28.24 2dat h HIS 89 CO 0.06 -0.39 0.11 0.09 -0.00 0.00 0.00 177.93 177.79 2dat n ASN 90 N -5.43 -0.03 0.25 3.26 3.02 -0.81 -0.85 115.26 114.67 2dat n ASN 90 Ca 0.04 1.51 -0.10 0.00 -0.03 0.00 0.00 54.58 56.01 2dat n ASN 90 Cb 0.36 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.90 2dat n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dat h ALA 91 N 1.79 -1.17 -1.50 5.41 0.00 -0.92 0.20 119.26 123.08 2dat h ALA 91 Ca 0.58 -0.14 0.44 0.00 0.00 0.00 0.00 54.91 55.79 2dat h ALA 91 Cb 1.29 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2dat h ALA 91 CO -0.81 -1.12 1.14 1.96 0.00 0.00 0.00 179.25 180.42 2dat h GLN 92 N -0.64 0.00 0.04 0.00 4.20 -0.90 0.62 115.11 118.43 2dat h GLN 92 Ca -0.07 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2dat h GLN 92 Cb 0.49 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.28 2dat h GLN 92 CO 0.10 0.00 -0.29 1.15 -0.67 0.00 0.00 178.83 179.12 2dat h THR 93 N 0.00 1.65 0.28 -0.54 2.02 -0.81 -3.38 112.91 112.13 2dat h THR 93 Ca 0.71 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 2dat h THR 93 Cb 2.99 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 72.57 2dat h THR 93 CO -0.01 0.62 -0.14 0.15 0.37 0.00 0.00 175.52 176.51 2dat h PHE 94 N -0.68 -0.35 -4.30 3.16 3.57 0.19 -3.45 116.94 115.07 2dat h PHE 94 Ca -0.05 -0.01 -0.49 0.00 3.53 0.00 0.00 57.97 60.95 2dat h PHE 94 Cb 1.18 0.12 0.07 0.00 2.79 0.00 0.00 35.95 40.10 2dat h PHE 94 CO 0.23 0.00 0.36 0.54 -2.23 0.00 0.00 178.31 177.21 2dat s ASN 95 N -5.19 5.51 0.80 0.41 2.20 0.17 -5.09 114.94 113.74 2dat s ASN 95 Ca -0.12 1.05 -0.05 0.00 -0.94 0.00 0.00 52.86 52.81 2dat s ASN 95 Cb 0.01 -1.90 0.16 0.00 -2.00 0.00 0.00 41.25 37.51 2dat s ASN 95 CO 0.45 -1.26 1.01 0.00 -2.94 0.00 0.00 177.10 174.36 2dat n LEU 96 N -2.91 0.00 -4.78 3.54 -0.00 -1.26 -4.59 117.00 107.00 2dat n LEU 96 Ca 0.06 -1.78 -0.30 0.00 -0.00 0.00 0.00 56.01 53.99 2dat n LEU 96 Cb 0.57 -0.70 0.10 0.00 -0.00 0.00 0.00 43.42 43.40 2dat n LEU 96 CO 0.57 -1.07 0.70 -1.61 -0.00 0.00 0.00 177.39 175.97 2dat s GLU 97 N -5.13 1.90 -0.19 1.47 2.02 -1.26 -3.47 118.70 114.03 2dat s GLU 97 Ca 0.64 0.75 -0.02 0.00 0.02 0.00 0.00 54.97 56.36 2dat s GLU 97 Cb -0.03 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.34 2dat s GLU 97 CO 0.43 -1.78 0.06 0.41 0.02 0.00 0.00 175.26 174.40 2dat n GLY 98 N -1.73 -0.36 3.96 -1.39 0.00 -1.26 -4.84 105.19 99.57 2dat n GLY 98 Ca 0.07 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.66 5.49 0.12 1.61 0.15 -1.23 -4.89 113.70 113.29 2dat s SER 99 Ca 0.09 0.13 -0.34 0.00 0.70 0.00 0.00 55.95 56.53 2dat s SER 99 Cb -0.05 -1.15 -0.13 0.00 -1.71 0.00 0.00 66.02 62.98 2dat s SER 99 CO 0.11 -0.98 1.56 1.56 1.20 0.00 0.00 173.24 176.68 2dat h GLN 100 N 0.18 -0.60 -0.25 5.44 7.50 -1.90 -2.25 115.11 123.24 2dat h GLN 100 Ca -0.44 0.04 -0.16 0.00 0.50 0.00 0.00 58.65 58.59 2dat h GLN 100 Cb 1.28 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.94 2dat h GLN 100 CO 0.54 -0.40 -0.49 0.82 -1.50 0.00 0.00 178.83 177.81 2dat h ILE 101 N -0.62 1.30 -0.02 2.54 2.04 -1.95 -3.33 117.51 117.47 2dat h ILE 101 Ca 0.03 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.19 2dat h ILE 101 Cb 0.70 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2dat h ILE 101 CO -0.40 0.54 -0.01 0.22 0.00 0.00 0.00 178.15 178.49 2dat h TYR 102 N 0.54 -0.05 -0.97 1.37 3.20 -1.63 -0.44 116.97 118.99 2dat h TYR 102 Ca 0.03 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.07 2dat h TYR 102 Cb 1.05 0.02 -0.17 0.00 1.54 0.00 0.00 36.73 39.17 2dat h TYR 102 CO 0.05 -0.01 -0.30 0.39 -1.64 0.00 0.00 178.16 176.65 2dat n GLU 103 N -2.94 -0.14 -0.09 1.82 1.02 -0.91 -0.02 120.64 119.37 2dat n GLU 103 Ca -0.00 1.51 -0.08 0.00 -0.02 0.00 0.00 57.16 58.57 2dat n GLU 103 Cb 0.01 -2.24 -0.02 0.00 -0.02 0.00 0.00 31.44 29.17 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 -1.02 -0.77 1.62 5.19 -1.24 0.51 116.42 120.71 2dat h ASP 104 Ca 0.41 0.18 0.14 0.00 -0.62 0.00 0.00 57.03 57.14 2dat h ASP 104 Cb 0.66 0.48 -0.09 0.00 0.18 0.00 0.00 39.33 40.55 2dat h ASP 104 CO -0.98 -0.32 0.33 0.77 -3.12 0.00 0.00 179.24 175.92 2dat h SER 105 N -0.27 0.34 -0.13 6.45 4.64 0.65 -0.18 113.55 125.05 2dat h SER 105 Ca 0.16 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 2dat h SER 105 Cb 0.53 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2dat h SER 105 CO -0.50 0.14 0.06 0.40 -0.87 0.00 0.00 176.83 176.06 2dat h ILE 106 N 0.49 1.13 0.70 0.95 5.03 -0.42 -3.13 117.51 122.25 2dat h ILE 106 Ca 0.42 -0.39 -0.03 0.00 -0.12 0.00 0.00 64.86 64.74 2dat h ILE 106 Cb 0.61 1.15 -0.01 0.00 -3.03 0.00 0.00 36.82 35.55 2dat h ILE 106 CO -0.39 0.12 -0.47 0.58 -0.68 0.00 0.00 178.15 177.31 2dat h VAL 107 N 0.07 0.00 -0.73 1.67 2.07 0.05 -2.77 116.25 116.61 2dat h VAL 107 Ca 0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.74 2dat h VAL 107 Cb 0.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.77 2dat h VAL 107 CO -0.00 0.00 -0.08 0.18 0.02 0.00 0.00 177.57 177.69 2dat n LEU 108 N -5.41 -0.17 0.33 2.57 4.77 -0.18 0.16 117.00 119.07 2dat n LEU 108 Ca -0.14 1.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.92 2dat n LEU 108 Cb 0.47 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 2dat n LEU 108 CO 0.31 -1.23 0.53 -0.61 -1.33 0.00 0.00 177.39 175.06 2dat h GLN 109 N 0.00 -0.97 -1.14 3.23 4.15 -1.44 -0.84 115.11 118.09 2dat h GLN 109 Ca 0.40 0.07 0.34 0.00 0.77 0.00 0.00 58.65 60.23 2dat h GLN 109 Cb 0.74 0.22 -0.12 0.00 0.21 0.00 0.00 27.48 28.53 2dat h GLN 109 CO -0.72 -0.65 0.72 1.03 -1.93 0.00 0.00 178.83 177.29 2dat h SER 110 N -1.01 0.38 0.07 -0.69 0.87 -0.14 0.11 113.55 113.13 2dat h SER 110 Ca -0.08 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2dat h SER 110 Cb 0.84 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2dat h SER 110 CO 0.02 -0.06 -0.03 0.58 -0.53 0.00 0.00 176.83 176.80 2dat h VAL 111 N 0.26 1.19 -0.51 2.23 2.07 -0.66 -3.19 116.25 117.64 2dat h VAL 111 Ca 0.71 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2dat h VAL 111 Cb 1.96 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 33.46 2dat h VAL 111 CO -0.40 0.23 -0.42 0.15 0.02 0.00 0.00 177.57 177.15 2dat h PHE 112 N -0.52 -1.31 -0.55 1.57 3.04 0.63 -1.26 116.94 118.54 2dat h PHE 112 Ca -0.01 0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.07 2dat h PHE 112 Cb 0.45 0.64 -0.08 0.00 2.56 0.00 0.00 35.95 39.52 2dat h PHE 112 CO 0.07 -0.31 -0.44 0.87 -2.02 0.00 0.00 178.31 176.47 2dat h LYS 113 N -0.15 -0.15 -0.95 1.11 6.56 -1.59 0.28 116.57 121.69 2dat h LYS 113 Ca 0.08 0.01 0.29 0.00 -1.06 0.00 0.00 60.65 59.98 2dat h LYS 113 Cb 0.36 0.03 -0.15 0.00 -0.57 0.00 0.00 32.23 31.90 2dat h LYS 113 CO -0.56 -0.10 0.37 0.77 -2.06 0.00 0.00 179.45 177.87 2dat h SER 114 N -0.15 0.17 0.79 0.86 0.02 -1.33 -0.36 113.55 113.55 2dat h SER 114 Ca 0.09 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 2dat h SER 114 Cb 0.39 0.24 0.01 0.00 0.14 0.00 0.00 62.40 63.18 2dat h SER 114 CO -0.59 -0.20 -0.38 0.00 -1.14 0.00 0.00 176.83 174.51 2dat h ALA 115 N 1.85 -1.06 -0.52 3.77 0.00 0.61 0.31 119.26 124.22 2dat h ALA 115 Ca 0.66 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.43 2dat h ALA 115 Cb 1.46 0.41 -0.11 0.00 0.00 0.00 0.00 17.79 19.56 2dat h ALA 115 CO -0.68 -1.03 -0.24 -0.09 0.00 0.00 0.00 179.25 177.21 2dat h ARG 116 N -1.20 -0.11 0.00 0.00 2.43 0.40 -3.11 114.38 112.79 2dat h ARG 116 Ca -0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2dat h ARG 116 Cb 0.83 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2dat h ARG 116 CO 0.18 -0.08 0.00 1.04 -1.51 0.00 0.00 179.97 179.60 2dat n GLN 117 N -5.42 0.00 -1.44 0.20 6.02 -0.33 -4.56 117.38 111.86 2dat n GLN 117 Ca 0.04 0.36 -0.49 0.00 -0.01 0.00 0.00 57.00 56.90 2dat n GLN 117 Cb 0.33 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 2dat n GLN 117 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dat n SER 118 N -1.58 1.76 -3.55 1.08 2.88 0.09 -4.87 113.62 109.44 2dat n SER 118 Ca 0.00 0.30 -0.12 0.00 -1.33 0.00 0.00 58.87 57.73 2dat n SER 118 Cb 0.00 -1.22 -0.05 0.00 -0.75 0.00 0.00 64.21 62.20 2dat n SER 118 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dat s GLY 119 N 7.96 -0.38 0.00 0.46 0.00 -1.26 -4.77 107.32 109.34 2dat s GLY 119 Ca 1.13 1.64 0.15 0.00 0.00 0.00 0.00 44.72 47.64 2dat s GLY 119 CO 0.48 0.85 1.40 -1.55 0.00 0.00 0.00 173.10 174.27 2dat n PRO 120 N 0.53 0.27 -1.15 2.90 -0.04 -1.26 -4.88 135.00 131.37 2dat n PRO 120 Ca -0.12 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 2dat n PRO 120 Cb 0.59 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.50 2dat n PRO 120 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dat n SER 121 N -1.22 -0.36 -4.69 3.54 7.64 -1.26 -4.80 113.62 112.47 2dat n SER 121 Ca 0.08 0.91 -0.42 0.00 1.01 0.00 0.00 58.87 60.44 2dat n SER 121 Cb 0.10 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 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 -0.28 6.93 0.00 6.43 0.01 -1.26 -5.22 113.70 120.31 2dat s SER 122 Ca 0.64 2.02 0.00 0.00 1.31 0.00 0.00 55.95 59.92 2dat s SER 122 Cb -0.90 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 62.76 2dat s SER 122 CO 0.45 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.06