#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 -3.28 -4.53 1.61 3.41 -1.26 -5.00 113.62 104.57 2dat n SER 2 Ca 0.00 0.29 -0.29 0.00 -0.26 0.00 0.00 58.87 58.62 2dat n SER 2 Cb 0.00 -1.07 -0.10 0.00 -0.26 0.00 0.00 64.21 62.78 2dat n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dat s SER 3 N -1.68 4.08 0.00 4.04 0.01 -1.26 -5.08 113.70 113.82 2dat s SER 3 Ca 0.52 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2dat s SER 3 Cb -0.21 -0.65 0.00 0.00 0.21 0.00 0.00 66.02 65.37 2dat s SER 3 CO 0.72 0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.14 2dat n GLY 4 N 0.56 2.48 1.43 3.44 0.00 -1.26 -5.06 105.19 106.78 2dat n GLY 4 Ca -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2dat n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dat n SER 5 N 0.00 0.57 -4.68 1.61 2.88 -1.26 -5.05 113.62 107.69 2dat n SER 5 Ca 0.00 0.27 -0.41 0.00 -1.33 0.00 0.00 58.87 57.41 2dat n SER 5 Cb 0.00 -0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 63.39 2dat n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dat s SER 6 N -5.55 6.97 0.00 -3.46 0.01 -1.26 -5.01 113.70 105.39 2dat s SER 6 Ca 0.00 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2dat s SER 6 Cb 0.00 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2dat s SER 6 CO 0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2dat n GLY 7 N 3.36 0.69 2.99 3.44 0.00 -1.26 -5.10 105.19 109.31 2dat n GLY 7 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2dat n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat s SER 8 N -1.00 0.11 -0.05 1.61 0.01 -1.26 -5.13 113.70 108.00 2dat s SER 8 Ca 0.00 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 2dat s SER 8 Cb 0.00 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 2dat s SER 8 CO 0.00 -0.24 1.49 -2.16 0.41 0.00 0.00 173.24 172.74 2dat s PRO 9 N -1.04 4.23 0.54 12.44 0.04 -1.26 -4.90 135.00 145.05 2dat s PRO 9 Ca -0.11 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 2dat s PRO 9 Cb -0.07 -3.77 -0.06 0.00 0.04 0.00 0.00 34.50 30.65 2dat s PRO 9 CO -0.00 -0.71 1.17 -0.80 0.04 0.00 0.00 177.00 176.70 2dat s ASN 10 N 2.48 5.66 0.94 6.66 0.01 -1.26 -5.02 114.94 124.42 2dat s ASN 10 Ca 0.66 2.30 -0.12 0.00 -0.71 0.00 0.00 52.86 54.99 2dat s ASN 10 Cb -0.31 -2.59 0.15 0.00 0.41 0.00 0.00 41.25 38.91 2dat s ASN 10 CO 0.26 -1.27 1.09 -2.16 -1.51 0.00 0.00 177.10 173.51 2dat s PRO 11 N -3.13 0.91 0.44 -0.60 0.04 -1.26 -4.81 135.00 126.59 2dat s PRO 11 Ca 0.72 0.69 0.23 0.00 0.04 0.00 0.00 61.00 62.68 2dat s PRO 11 Cb -0.28 -1.78 0.99 0.00 0.04 0.00 0.00 34.50 33.48 2dat s PRO 11 CO 0.32 -2.45 1.87 -1.00 0.04 0.00 0.00 177.00 175.78 2dat h PRO 12 N -1.69 0.00 -0.09 0.56 0.13 -1.98 -1.66 132.00 127.27 2dat h PRO 12 Ca -0.52 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.56 0.24 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.19 2dat h LYS 13 N 0.00 0.27 0.23 0.86 1.63 -1.98 -2.06 116.57 115.52 2dat h LYS 13 Ca -0.00 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 2dat h LYS 13 Cb 0.67 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2dat h LYS 13 CO 0.03 0.74 -0.11 1.25 -3.45 0.00 0.00 179.45 177.91 2dat h LEU 14 N -0.18 -0.26 -0.79 5.20 6.46 -1.93 -2.34 115.31 121.47 2dat h LEU 14 Ca 0.01 -0.22 0.16 0.00 -0.12 0.00 0.00 57.88 57.71 2dat h LEU 14 Cb 0.72 0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.62 2dat h LEU 14 CO 0.04 0.25 0.30 0.74 -0.62 0.00 0.00 178.44 179.14 2dat h THR 15 N -0.96 0.58 -0.50 1.05 2.02 -1.44 -0.16 112.91 113.50 2dat h THR 15 Ca -0.03 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2dat h THR 15 Cb 0.47 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2dat h THR 15 CO 0.05 0.07 0.13 0.50 0.37 0.00 0.00 175.52 176.65 2dat h LYS 16 N 0.40 0.79 -0.54 6.66 1.63 -1.45 -2.37 116.57 121.69 2dat h LYS 16 Ca 0.45 -0.19 0.09 0.00 -0.85 0.00 0.00 60.65 60.16 2dat h LYS 16 Cb 0.75 -0.11 -0.08 0.00 -0.60 0.00 0.00 32.23 32.20 2dat h LYS 16 CO -0.46 0.76 0.12 0.37 -3.45 0.00 0.00 179.45 176.79 2dat h GLN 17 N 0.68 0.25 -0.33 1.90 4.15 -0.47 0.18 115.11 121.47 2dat h GLN 17 Ca 0.16 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 2dat h GLN 17 Cb 0.32 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2dat h GLN 17 CO -0.00 0.16 0.13 0.52 -1.93 0.00 0.00 178.83 177.71 2dat h MET 18 N 0.26 0.50 0.86 1.69 2.86 -1.24 -3.17 114.93 116.69 2dat h MET 18 Ca 0.28 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2dat h MET 18 Cb 0.38 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.97 2dat h MET 18 CO -0.35 0.51 -0.43 -0.91 1.06 0.00 0.00 176.91 176.79 2dat h ASN 19 N 0.39 -1.02 -0.77 1.22 2.35 -0.81 -2.76 115.58 114.18 2dat h ASN 19 Ca 0.11 0.04 0.27 0.00 -0.55 0.00 0.00 56.30 56.17 2dat h ASN 19 Cb 0.20 0.27 -0.14 0.00 0.05 0.00 0.00 38.32 38.70 2dat h ASN 19 CO -0.01 -0.71 0.22 0.00 -1.65 0.00 0.00 177.43 175.28 2dat n ALA 20 N -2.61 0.60 0.21 -0.83 0.00 0.54 0.70 120.51 119.12 2dat n ALA 20 Ca -0.15 0.81 -0.08 0.00 0.00 0.00 0.00 53.44 54.01 2dat n ALA 20 Cb 0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 0.00 0.60 0.00 2.04 -1.46 -2.94 117.51 115.75 2dat h ILE 21 Ca 0.57 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.33 2dat h ILE 21 Cb 1.36 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2dat h ILE 21 CO -0.66 0.00 -0.39 0.40 0.00 0.00 0.00 178.15 177.50 2dat h ILE 22 N -0.61 0.21 -0.71 -0.67 1.08 -0.66 -2.17 117.51 113.98 2dat h ILE 22 Ca -0.05 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.60 2dat h ILE 22 Cb 0.41 0.21 -0.13 0.00 -3.07 0.00 0.00 36.82 34.24 2dat h ILE 22 CO 0.09 0.00 -0.03 -0.67 -0.69 0.00 0.00 178.15 176.85 2dat n ASP 23 N -5.52 -0.12 -0.07 1.72 -0.08 0.22 0.18 116.55 112.88 2dat n ASP 23 Ca -0.13 1.21 -0.13 0.00 -1.51 0.00 0.00 54.79 54.23 2dat n ASP 23 Cb 0.41 -0.42 -0.06 0.00 2.34 0.00 0.00 41.12 43.39 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 1.33 0.18 5.18 2.02 -1.29 -1.06 112.91 119.26 2dat h THR 24 Ca 0.41 -1.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 2dat h THR 24 Cb 0.81 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 2dat h THR 24 CO -0.68 0.43 -0.13 0.58 0.37 0.00 0.00 175.52 176.09 2dat h VAL 25 N 0.21 0.73 -0.65 3.16 2.07 0.26 -0.75 116.25 121.27 2dat h VAL 25 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2dat h VAL 25 Cb 0.78 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2dat h VAL 25 CO 0.05 0.00 0.19 0.40 0.02 0.00 0.00 177.57 178.24 2dat h ILE 26 N -0.30 1.24 -0.77 4.57 2.04 -0.51 -2.51 117.51 121.27 2dat h ILE 26 Ca -0.01 -0.85 -0.46 0.00 1.00 0.00 0.00 64.86 64.54 2dat h ILE 26 Cb 0.27 0.54 -0.23 0.00 -0.74 0.00 0.00 36.82 36.66 2dat h ILE 26 CO 0.00 0.33 0.59 0.59 0.00 0.00 0.00 178.15 179.66 2dat n ASN 27 N -4.27 5.36 -4.77 1.72 3.02 -0.40 -4.71 115.26 111.22 2dat n ASN 27 Ca 0.05 -3.35 -0.26 0.00 -0.03 0.00 0.00 54.58 50.99 2dat n ASN 27 Cb 0.22 -0.89 -0.06 0.00 -0.61 0.00 0.00 39.78 38.44 2dat n ASN 27 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2dat s TYR 28 N -2.73 3.07 -0.05 3.10 6.14 -0.32 -4.89 117.35 121.68 2dat s TYR 28 Ca 0.47 -0.05 0.05 0.00 0.64 0.00 0.00 57.07 58.18 2dat s TYR 28 Cb 0.38 -1.48 -0.01 0.00 0.42 0.00 0.00 41.96 41.27 2dat s TYR 28 CO 0.04 0.52 -0.22 0.15 0.64 0.00 0.00 175.55 176.68 2dat s LYS 29 N -3.08 2.17 -0.20 4.97 1.02 -1.26 -4.52 119.74 118.83 2dat s LYS 29 Ca 0.30 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.39 2dat s LYS 29 Cb -0.10 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 2dat s LYS 29 CO 0.22 0.34 -0.29 -3.47 -0.92 0.00 0.00 175.35 171.23 2dat n ASP 30 N 2.97 1.63 -1.31 2.83 2.03 -1.24 -4.52 116.55 118.94 2dat n ASP 30 Ca -0.17 0.28 0.01 0.00 0.52 0.00 0.00 54.79 55.43 2dat n ASP 30 Cb 0.52 -0.66 0.20 0.00 -0.72 0.00 0.00 41.12 40.46 2dat n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2dat n SER 31 N -4.07 3.51 -3.21 1.67 2.88 -1.26 -4.87 113.62 108.26 2dat n SER 31 Ca -0.37 -2.55 -0.15 0.00 -1.33 0.00 0.00 58.87 54.46 2dat n SER 31 Cb 0.72 -0.61 0.08 0.00 -0.75 0.00 0.00 64.21 63.65 2dat n SER 31 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dat n SER 32 N 0.22 -2.15 0.00 -3.46 2.88 -1.26 -4.44 113.62 105.42 2dat n SER 32 Ca 0.18 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2dat n SER 32 Cb 0.82 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 33 N -1.12 1.68 3.73 0.46 0.00 -1.26 -5.12 105.19 103.55 2dat n GLY 33 Ca -0.26 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2dat n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dat s ARG 34 N 0.00 4.45 0.10 1.61 3.52 -1.26 -4.97 118.95 122.40 2dat s ARG 34 Ca 0.00 1.89 -0.08 0.00 -0.13 0.00 0.00 55.73 57.41 2dat s ARG 34 Cb 0.00 -3.26 -0.06 0.00 -1.56 0.00 0.00 34.95 30.07 2dat s ARG 34 CO 0.00 -0.18 0.40 -1.14 -0.81 0.00 0.00 175.30 173.57 2dat s GLN 35 N 0.21 3.72 -0.17 5.12 0.74 -1.26 -3.60 119.66 124.41 2dat s GLN 35 Ca 0.56 0.10 -0.17 0.00 0.05 0.00 0.00 55.36 55.89 2dat s GLN 35 Cb -0.33 -2.94 -0.06 0.00 1.10 0.00 0.00 33.01 30.78 2dat s GLN 35 CO 0.34 0.53 -0.33 1.28 -0.55 0.00 0.00 175.29 176.55 2dat n LEU 36 N 0.64 1.90 -0.28 3.68 4.32 -1.26 -4.42 117.00 121.58 2dat n LEU 36 Ca -0.06 0.32 0.31 0.00 -0.02 0.00 0.00 56.01 56.56 2dat n LEU 36 Cb 0.52 -0.72 0.47 0.00 -1.62 0.00 0.00 43.42 42.07 2dat n LEU 36 CO 0.44 -0.29 1.25 -1.54 -1.22 0.00 0.00 177.39 176.03 2dat n SER 37 N -4.41 0.00 -0.11 -1.43 3.41 -1.26 0.04 113.62 109.85 2dat n SER 37 Ca -0.13 0.77 -0.05 0.00 -0.26 0.00 0.00 58.87 59.19 2dat n SER 37 Cb 0.50 -0.29 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2dat n SER 37 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2dat h GLU 38 N 0.00 -0.10 0.00 4.33 5.08 -1.88 0.63 114.58 122.64 2dat h GLU 38 Ca 0.54 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2dat h GLU 38 Cb 2.96 0.02 0.00 0.00 0.50 0.00 0.00 28.75 32.24 2dat h GLU 38 CO -0.01 -0.07 0.00 1.33 -1.00 0.00 0.00 179.01 179.27 2dat n VAL 39 N -5.36 0.00 -1.09 3.13 0.24 0.11 -2.25 118.33 113.10 2dat n VAL 39 Ca 0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.38 2dat n VAL 39 Cb 0.27 -0.53 0.08 0.00 -1.47 0.00 0.00 33.84 32.20 2dat n VAL 39 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dat n PHE 40 N -0.87 0.00 0.00 6.34 3.72 0.20 -4.86 117.46 122.00 2dat n PHE 40 Ca 0.12 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 2dat n PHE 40 Cb 0.05 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.92 0.00 -4.26 4.37 2.08 -0.04 -1.91 119.36 118.68 2dat n ILE 41 Ca 0.09 0.62 -0.29 0.00 0.56 0.00 0.00 62.75 63.74 2dat n ILE 41 Cb 0.59 -1.43 -0.10 0.00 -0.75 0.00 0.00 39.64 37.94 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 -1.18 2.04 0.33 0.38 -0.21 -1.26 -3.30 119.66 116.46 2dat s GLN 42 Ca 0.00 -1.14 -0.02 0.00 0.02 0.00 0.00 55.36 54.22 2dat s GLN 42 Cb 0.00 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 2dat s GLN 42 CO 0.00 0.48 0.57 -0.51 -2.12 0.00 0.00 175.29 173.70 2dat s LEU 43 N -2.43 4.00 0.58 2.90 1.43 -1.26 -5.05 118.68 118.85 2dat s LEU 43 Ca 0.22 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.74 2dat s LEU 43 Cb -0.10 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2dat s LEU 43 CO 0.14 -0.28 1.12 -2.16 0.23 0.00 0.00 176.35 175.40 2dat s PRO 44 N -4.03 3.20 -0.09 1.29 0.04 -1.26 -4.95 135.00 129.19 2dat s PRO 44 Ca 0.42 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2dat s PRO 44 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2dat s PRO 44 CO 0.34 -0.96 1.58 0.45 0.04 0.00 0.00 177.00 178.45 2dat s SER 45 N -2.01 6.68 0.41 6.66 0.15 -1.26 -4.80 113.70 119.54 2dat s SER 45 Ca 0.71 2.06 0.33 0.00 0.70 0.00 0.00 55.95 59.75 2dat s SER 45 Cb -0.23 -2.53 1.37 0.00 -1.71 0.00 0.00 66.02 62.92 2dat s SER 45 CO 0.31 -0.94 1.38 -1.14 1.20 0.00 0.00 173.24 174.06 2dat n ARG 46 N 7.10 -0.02 -0.07 5.44 0.00 -1.26 0.20 116.66 128.05 2dat n ARG 46 Ca 0.17 1.07 -0.12 0.00 -0.00 0.00 0.00 57.85 58.97 2dat n ARG 46 Cb 0.43 -2.19 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 2dat n ARG 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2dat h LYS 47 N 0.00 0.39 0.10 -0.14 3.64 -1.97 0.36 116.57 118.96 2dat h LYS 47 Ca 0.79 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 60.00 2dat h LYS 47 Cb 2.72 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.52 2dat h LYS 47 CO -0.32 0.68 -0.05 0.93 -2.27 0.00 0.00 179.45 178.43 2dat h GLU 48 N 0.08 -0.14 -2.57 1.90 4.39 0.19 -3.38 114.58 115.06 2dat h GLU 48 Ca 0.04 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 59.15 2dat h GLU 48 Cb 0.56 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 28.83 2dat h GLU 48 CO 0.03 0.28 -0.71 -0.11 -1.16 0.00 0.00 179.01 177.33 2dat n LEU 49 N -4.95 2.26 -0.04 1.33 7.94 0.03 -4.94 117.00 118.64 2dat n LEU 49 Ca -0.09 -5.07 -0.13 0.00 -1.11 0.00 0.00 56.01 49.62 2dat n LEU 49 Cb 0.25 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.78 2dat n LEU 49 CO 0.31 1.90 0.62 1.55 -1.11 0.00 0.00 177.39 180.66 2dat h PRO 50 N 4.92 0.20 -0.96 1.96 0.13 -1.11 -3.24 132.00 133.90 2dat h PRO 50 Ca 0.18 -0.10 0.27 0.00 -0.87 0.00 0.00 66.00 65.47 2dat h PRO 50 Cb 0.77 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.73 2dat h PRO 50 CO 0.66 0.63 0.07 1.05 -0.23 0.00 0.00 178.00 180.18 2dat h GLU 51 N -0.22 0.04 -0.90 0.86 4.11 -1.92 0.64 114.58 117.18 2dat h GLU 51 Ca 0.01 -0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.68 2dat h GLU 51 Cb 0.59 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.69 2dat h GLU 51 CO 0.02 0.02 0.35 -0.92 0.07 0.00 0.00 179.01 178.55 2dat h TYR 52 N 0.04 0.56 -0.01 2.06 5.03 -1.95 0.70 116.97 123.40 2dat h TYR 52 Ca 0.59 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.82 2dat h TYR 52 Cb 1.22 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 2dat h TYR 52 CO -0.44 -0.14 -0.60 1.88 -1.32 0.00 0.00 178.16 177.54 2dat h TYR 53 N 0.30 0.02 0.90 -3.82 -1.99 0.12 -1.37 116.97 111.13 2dat h TYR 53 Ca 0.58 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 61.26 2dat h TYR 53 Cb 1.18 -0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.91 2dat h TYR 53 CO -0.18 0.61 -0.44 0.93 -0.00 0.00 0.00 178.16 179.09 2dat h GLU 54 N 0.01 -1.17 -0.08 4.88 5.08 0.82 -3.26 114.58 120.87 2dat h GLU 54 Ca -0.01 0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2dat h GLU 54 Cb 1.06 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 2dat h GLU 54 CO 0.08 -0.78 -0.04 1.37 -1.00 0.00 0.00 179.01 178.64 2dat h LEU 55 N -1.21 0.17 -9.90 1.33 -0.00 -1.46 -3.44 115.31 100.80 2dat h LEU 55 Ca -0.12 -0.43 -0.53 0.00 -0.00 0.00 0.00 57.88 56.80 2dat h LEU 55 Cb 0.93 -0.05 0.08 0.00 -0.00 0.00 0.00 40.66 41.63 2dat h LEU 55 CO 0.20 0.57 0.72 -0.63 -0.00 0.00 0.00 178.44 179.29 2dat s ILE 56 N -4.49 2.38 -0.13 0.15 -1.09 -0.52 -4.97 121.20 112.54 2dat s ILE 56 Ca -0.15 0.38 -0.10 0.00 -2.23 0.00 0.00 60.65 58.55 2dat s ILE 56 Cb 0.04 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 2dat s ILE 56 CO 0.71 0.09 -0.19 0.54 -1.23 0.00 0.00 174.94 174.86 2dat n ARG 57 N 0.81 0.40 -3.87 2.79 1.74 -1.26 -4.74 116.66 112.52 2dat n ARG 57 Ca 0.01 0.40 -0.31 0.00 -0.77 0.00 0.00 57.85 57.19 2dat n ARG 57 Cb 0.40 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 2dat n ARG 57 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2dat s LYS 58 N -2.19 2.39 0.07 5.56 -0.14 -1.26 -5.08 119.74 119.09 2dat s LYS 58 Ca -0.15 -2.99 -0.31 0.00 -1.36 0.00 0.00 55.97 51.15 2dat s LYS 58 Cb 0.02 -3.48 -0.07 0.00 -1.68 0.00 0.00 37.83 32.62 2dat s LYS 58 CO 0.23 -1.21 1.39 -1.25 -0.76 0.00 0.00 175.35 173.76 2dat s PRO 59 N -0.88 4.31 0.03 -1.68 0.04 -1.26 -4.91 135.00 130.66 2dat s PRO 59 Ca 0.21 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 2dat s PRO 59 Cb -0.14 -3.38 0.04 0.00 0.04 0.00 0.00 34.50 31.05 2dat s PRO 59 CO -0.09 -0.49 0.43 0.54 0.04 0.00 0.00 177.00 177.44 2dat s VAL 60 N 1.61 0.05 0.23 -0.36 0.11 -1.26 -5.12 120.40 115.66 2dat s VAL 60 Ca 0.64 -0.41 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2dat s VAL 60 Cb -0.35 -0.93 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 2dat s VAL 60 CO 0.29 -0.23 0.10 -0.90 -3.33 0.00 0.00 175.10 171.03 2dat n ASP 61 N 0.58 0.83 0.02 3.54 5.68 -1.26 -4.51 116.55 121.42 2dat n ASP 61 Ca -0.19 -2.25 -0.03 0.00 -0.50 0.00 0.00 54.79 51.83 2dat n ASP 61 Cb 0.59 0.66 0.23 0.00 -1.14 0.00 0.00 41.12 41.46 2dat n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2dat h PHE 62 N 1.43 0.52 0.36 2.11 0.04 -1.45 -2.98 116.94 116.97 2dat h PHE 62 Ca -0.17 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.48 2dat h PHE 62 Cb 0.70 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 2dat h PHE 62 CO 0.00 0.65 -0.22 0.87 -0.60 0.00 0.00 178.31 179.01 2dat h LYS 63 N 0.43 -0.52 -0.80 1.51 1.79 -1.79 -2.36 116.57 114.83 2dat h LYS 63 Ca 0.07 0.04 0.19 0.00 -2.18 0.00 0.00 60.65 58.77 2dat h LYS 63 Cb 0.60 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 31.22 2dat h LYS 63 CO 0.04 -0.34 0.05 0.87 -1.08 0.00 0.00 179.45 178.98 2dat h LYS 64 N -0.53 0.11 -0.89 3.15 6.56 -1.86 0.43 116.57 123.53 2dat h LYS 64 Ca -0.05 -0.01 0.17 0.00 -1.06 0.00 0.00 60.65 59.70 2dat h LYS 64 Cb 0.43 -0.03 -0.10 0.00 -0.57 0.00 0.00 32.23 31.96 2dat h LYS 64 CO 0.05 0.07 0.47 0.82 -2.06 0.00 0.00 179.45 178.81 2dat h ILE 65 N 0.12 0.69 0.13 1.86 2.04 -1.37 -1.21 117.51 119.76 2dat h ILE 65 Ca 0.45 -0.22 -0.29 0.00 1.00 0.00 0.00 64.86 65.81 2dat h ILE 65 Cb 0.84 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2dat h ILE 65 CO -0.69 0.11 -1.25 0.11 0.00 0.00 0.00 178.15 176.44 2dat h LYS 66 N 0.63 0.54 -1.05 2.37 1.57 0.20 -3.26 116.57 117.56 2dat h LYS 66 Ca 0.51 -0.76 0.29 0.00 -1.87 0.00 0.00 60.65 58.81 2dat h LYS 66 Cb 0.77 0.26 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 2dat h LYS 66 CO -0.39 1.34 0.65 1.49 -0.57 0.00 0.00 179.45 181.97 2dat h GLU 67 N 0.23 0.40 0.00 3.15 4.81 0.70 0.75 114.58 124.62 2dat h GLU 67 Ca -0.18 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.87 2dat h GLU 67 Cb 1.92 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 2dat h GLU 67 CO 0.23 0.26 -0.73 0.00 -0.73 0.00 0.00 179.01 178.05 2dat h ARG 68 N 0.41 0.00 0.00 1.92 3.08 -1.51 -2.89 114.38 115.39 2dat h ARG 68 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 2dat h ARG 68 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2dat h ARG 68 CO -0.41 0.73 0.00 -0.89 -1.07 0.00 0.00 179.97 178.33 2dat n ILE 69 N -3.63 0.00 -0.11 2.04 5.41 0.26 -0.80 119.36 122.53 2dat n ILE 69 Ca -0.01 1.32 0.24 0.00 1.00 0.00 0.00 62.75 65.30 2dat n ILE 69 Cb 0.72 -2.31 0.68 0.00 -0.71 0.00 0.00 39.64 38.02 2dat n ILE 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2dat h ARG 70 N 0.00 0.05 0.00 0.38 -0.00 -1.63 0.61 114.38 113.79 2dat h ARG 70 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2dat h ARG 70 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 29.95 2dat h ARG 70 CO 0.00 0.03 -0.15 -0.91 -0.00 0.00 0.00 179.97 178.95 2dat h ASN 71 N 0.05 0.00 -3.60 0.08 4.21 -1.41 -3.48 115.58 111.44 2dat h ASN 71 Ca 0.36 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.76 2dat h ASN 71 Cb 1.34 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 38.61 2dat h ASN 71 CO -0.02 0.15 -0.30 1.41 -1.29 0.00 0.00 177.43 177.37 2dat n HIS 72 N -3.26 -0.87 -0.06 1.19 8.25 0.21 -4.96 115.22 115.71 2dat n HIS 72 Ca 0.01 0.34 -0.09 0.00 -0.26 0.00 0.00 57.72 57.72 2dat n HIS 72 Cb 0.41 -3.14 -0.06 0.00 1.12 0.00 0.00 29.99 28.32 2dat n HIS 72 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2dat n LYS 73 N -2.17 0.41 -1.48 -0.41 4.76 -0.22 -4.70 118.16 114.35 2dat n LYS 73 Ca -0.07 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 2dat n LYS 73 Cb 0.56 -1.26 0.01 0.00 -1.84 0.00 0.00 35.03 32.50 2dat n LYS 73 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2dat n TYR 74 N -2.86 -0.21 -0.02 2.13 4.01 -1.25 -4.92 117.16 114.04 2dat n TYR 74 Ca -0.23 0.58 -0.16 0.00 -0.16 0.00 0.00 57.90 57.93 2dat n TYR 74 Cb 0.75 -2.03 -0.14 0.00 -0.31 0.00 0.00 39.34 37.61 2dat n TYR 74 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2dat n ARG 75 N 0.42 0.70 -3.60 -0.72 3.00 -1.26 -5.04 116.66 110.16 2dat n ARG 75 Ca 0.11 0.25 -0.03 0.00 -0.01 0.00 0.00 57.85 58.17 2dat n ARG 75 Cb 0.40 -1.72 -0.01 0.00 0.00 0.00 0.00 32.46 31.13 2dat n ARG 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2dat s SER 76 N -6.60 -0.15 0.29 0.55 0.01 -1.26 -5.03 113.70 101.51 2dat s SER 76 Ca -0.16 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.04 2dat s SER 76 Cb 0.07 0.22 0.71 0.00 0.21 0.00 0.00 66.02 67.23 2dat s SER 76 CO 0.78 -0.39 1.66 -0.07 0.41 0.00 0.00 173.24 175.63 2dat h LEU 77 N 2.00 0.06 -1.63 2.44 3.38 -1.96 0.37 115.31 119.97 2dat h LEU 77 Ca -0.19 0.19 0.35 0.00 0.09 0.00 0.00 57.88 58.32 2dat h LEU 77 Cb 1.20 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 2dat h LEU 77 CO 0.26 -0.13 0.82 1.23 0.09 0.00 0.00 178.44 180.71 2dat h GLY 78 N 0.24 0.75 0.40 0.83 0.00 -2.02 -1.34 103.07 101.92 2dat h GLY 78 Ca 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2dat h GLY 78 CO -0.63 -0.14 -0.15 -0.55 0.00 0.00 0.00 176.54 175.07 2dat h ASP 79 N 0.17 -0.36 -0.76 0.19 3.32 -0.66 -3.21 116.42 115.11 2dat h ASP 79 Ca 0.66 -0.12 0.27 0.00 0.02 0.00 0.00 57.03 57.85 2dat h ASP 79 Cb 2.14 0.09 -0.14 0.00 0.22 0.00 0.00 39.33 41.64 2dat h ASP 79 CO -0.21 0.11 0.22 -0.11 -1.72 0.00 0.00 179.24 177.54 2dat n LEU 80 N -5.06 0.09 0.35 1.55 7.94 -0.52 0.68 117.00 122.03 2dat n LEU 80 Ca -0.07 1.28 -0.17 0.00 -1.11 0.00 0.00 56.01 55.94 2dat n LEU 80 Cb 0.23 -0.55 -0.09 0.00 0.53 0.00 0.00 43.42 43.55 2dat n LEU 80 CO 0.20 -1.37 0.59 -0.08 -1.11 0.00 0.00 177.39 175.62 2dat h GLU 81 N 0.00 -0.84 -0.72 1.96 4.81 -1.57 -1.23 114.58 117.00 2dat h GLU 81 Ca 0.56 0.06 0.16 0.00 -0.13 0.00 0.00 59.36 60.01 2dat h GLU 81 Cb 1.35 0.19 -0.14 0.00 0.63 0.00 0.00 28.75 30.78 2dat h GLU 81 CO -0.65 -0.53 -0.10 1.63 -0.73 0.00 0.00 179.01 178.62 2dat n LYS 82 N -5.43 -0.06 0.06 1.92 4.76 0.22 -0.14 118.16 119.49 2dat n LYS 82 Ca -0.13 1.10 -0.10 0.00 -2.87 0.00 0.00 58.31 56.31 2dat n LYS 82 Cb 0.36 -1.68 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 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 -0.21 -0.99 4.39 1.82 -1.40 -2.96 116.42 117.08 2dat h ASP 83 Ca 0.38 -0.30 0.11 0.00 -0.39 0.00 0.00 57.03 56.83 2dat h ASP 83 Cb 0.67 0.05 -0.14 0.00 0.68 0.00 0.00 39.33 40.60 2dat h ASP 83 CO -0.71 0.34 -0.51 0.58 -1.61 0.00 0.00 179.24 177.33 2dat h VAL 84 N -0.91 0.00 -0.70 2.25 2.07 0.72 0.47 116.25 120.16 2dat h VAL 84 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 2dat h VAL 84 Cb 0.50 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 2dat h VAL 84 CO 0.04 0.00 0.38 0.24 0.02 0.00 0.00 177.57 178.25 2dat h MET 85 N -0.01 0.66 -0.25 1.57 2.86 -1.08 -2.33 114.93 116.34 2dat h MET 85 Ca 0.23 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 2dat h MET 85 Cb 0.49 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 2dat h MET 85 CO -0.95 0.44 -0.02 1.25 1.06 0.00 0.00 176.91 178.69 2dat h LEU 86 N 0.68 -0.13 -1.45 1.22 5.85 0.00 -1.06 115.31 120.41 2dat h LEU 86 Ca 0.32 0.06 0.25 0.00 0.84 0.00 0.00 57.88 59.35 2dat h LEU 86 Cb 0.24 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 2dat h LEU 86 CO -0.21 -0.04 0.66 0.25 -0.34 0.00 0.00 178.44 178.76 2dat h LEU 87 N 0.06 0.41 -0.11 2.25 6.46 -0.36 0.15 115.31 124.17 2dat h LEU 87 Ca 0.12 0.06 -0.23 0.00 -0.12 0.00 0.00 57.88 57.71 2dat h LEU 87 Cb 0.17 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2dat h LEU 87 CO -0.22 0.11 -0.85 0.00 -0.62 0.00 0.00 178.44 176.86 2dat h HIS 89 N 0.49 -1.01 -0.82 0.00 -0.00 0.16 -2.02 115.15 111.94 2dat h HIS 89 Ca -0.08 -0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.53 2dat h HIS 89 Cb 1.49 0.36 -0.15 0.00 -0.00 0.00 0.00 27.41 29.11 2dat h HIS 89 CO 0.09 -0.56 0.09 0.09 -0.00 0.00 0.00 177.93 177.64 2dat n ASN 90 N -4.77 -0.03 0.39 3.26 3.02 -0.72 -0.10 115.26 116.31 2dat n ASN 90 Ca -0.11 1.40 -0.17 0.00 -0.03 0.00 0.00 54.58 55.67 2dat n ASN 90 Cb 0.38 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.94 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 1.65 -1.01 -0.09 5.41 0.00 -1.56 -0.40 119.26 123.26 2dat h ALA 91 Ca 0.53 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2dat h ALA 91 Cb 1.17 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2dat h ALA 91 CO -0.75 -0.97 0.64 1.96 0.00 0.00 0.00 179.25 180.12 2dat h GLN 92 N -1.21 0.00 0.00 0.00 4.20 0.23 0.19 115.11 118.52 2dat h GLN 92 Ca -0.10 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.39 2dat h GLN 92 Cb 0.79 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 2dat h GLN 92 CO 0.17 0.00 -1.20 1.15 -0.67 0.00 0.00 178.83 178.28 2dat h THR 93 N 0.00 0.91 0.73 -0.54 2.02 -0.83 -3.41 112.91 111.78 2dat h THR 93 Ca 0.04 -2.14 -0.04 0.00 0.77 0.00 0.00 66.41 65.04 2dat h THR 93 Cb 1.31 2.18 0.01 0.00 -1.74 0.00 0.00 68.15 69.91 2dat h THR 93 CO -0.00 0.31 -0.35 0.15 0.37 0.00 0.00 175.52 176.00 2dat h PHE 94 N -1.00 -0.91 -3.57 3.16 3.57 0.83 -3.43 116.94 115.59 2dat h PHE 94 Ca -0.33 -0.02 -0.51 0.00 3.53 0.00 0.00 57.97 60.64 2dat h PHE 94 Cb 1.27 0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.31 2dat h PHE 94 CO 0.09 -0.55 0.46 0.54 -2.23 0.00 0.00 178.31 176.62 2dat s ASN 95 N -4.43 7.31 1.11 0.41 2.20 0.43 -5.02 114.94 116.96 2dat s ASN 95 Ca -0.15 2.04 -0.18 0.00 -0.94 0.00 0.00 52.86 53.64 2dat s ASN 95 Cb 0.02 -2.60 0.15 0.00 -2.00 0.00 0.00 41.25 36.81 2dat s ASN 95 CO 0.47 -0.19 0.17 0.18 -2.94 0.00 0.00 177.10 174.79 2dat n LEU 96 N 2.40 -1.86 -4.88 3.54 7.99 -1.26 -4.60 117.00 118.32 2dat n LEU 96 Ca 0.02 -0.28 -0.30 0.00 -0.01 0.00 0.00 56.01 55.45 2dat n LEU 96 Cb 0.47 -0.89 0.07 0.00 -0.11 0.00 0.00 43.42 42.96 2dat n LEU 96 CO 0.53 -3.25 0.76 -1.61 -1.51 0.00 0.00 177.39 172.32 2dat s GLU 97 N -3.57 2.37 0.00 3.23 8.01 -1.26 -3.77 118.70 123.71 2dat s GLU 97 Ca 0.50 0.32 0.00 0.00 0.01 0.00 0.00 54.97 55.80 2dat s GLU 97 Cb -0.10 -1.98 0.00 0.00 -4.31 0.00 0.00 34.13 27.75 2dat s GLU 97 CO 0.54 -1.35 0.00 0.41 0.01 0.00 0.00 175.26 174.87 2dat n GLY 98 N -3.05 -0.33 3.98 -1.39 0.00 -1.26 -4.85 105.19 98.29 2dat n GLY 98 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.52 4.68 0.15 1.61 0.15 -1.25 -4.86 113.70 112.66 2dat s SER 99 Ca 0.00 -0.21 -0.17 0.00 0.70 0.00 0.00 55.95 56.27 2dat s SER 99 Cb 0.00 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 2dat s SER 99 CO 0.00 -1.61 1.80 -0.61 1.20 0.00 0.00 173.24 174.01 2dat h GLN 100 N -0.33 0.43 0.00 5.44 5.75 -1.90 -2.20 115.11 122.30 2dat h GLN 100 Ca -0.39 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 57.92 2dat h GLN 100 Cb 1.28 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 2dat h GLN 100 CO 0.45 0.28 -0.79 0.82 -2.65 0.00 0.00 178.83 176.95 2dat h ILE 101 N 0.44 1.48 0.04 2.39 2.04 -1.95 -3.29 117.51 118.67 2dat h ILE 101 Ca 0.14 -2.77 -0.00 0.00 1.00 0.00 0.00 64.86 63.23 2dat h ILE 101 Cb -0.02 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 2dat h ILE 101 CO -0.05 0.77 -0.02 0.22 0.00 0.00 0.00 178.15 179.06 2dat h TYR 102 N 0.00 -0.06 -0.98 1.37 3.20 -1.67 -2.73 116.97 116.10 2dat h TYR 102 Ca -0.01 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.09 2dat h TYR 102 Cb 1.46 0.02 -0.18 0.00 1.54 0.00 0.00 36.73 39.57 2dat h TYR 102 CO 0.00 -0.04 -0.13 0.93 -1.64 0.00 0.00 178.16 177.29 2dat h GLU 103 N -0.06 0.01 -0.54 1.82 5.08 -1.56 0.33 114.58 119.66 2dat h GLU 103 Ca -0.01 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2dat h GLU 103 Cb 0.05 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2dat h GLU 103 CO 0.01 0.00 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.34 2dat h ASP 104 N 0.01 -0.86 -0.96 1.42 5.19 -1.61 0.22 116.42 119.83 2dat h ASP 104 Ca 0.52 0.20 0.16 0.00 -0.62 0.00 0.00 57.03 57.29 2dat h ASP 104 Cb 0.93 0.46 -0.09 0.00 0.18 0.00 0.00 39.33 40.82 2dat h ASP 104 CO -0.96 -0.26 0.61 0.77 -3.12 0.00 0.00 179.24 176.27 2dat h SER 105 N -0.12 0.75 -0.42 6.45 4.64 -0.03 -0.20 113.55 124.63 2dat h SER 105 Ca 0.24 0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 2dat h SER 105 Cb 0.50 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2dat h SER 105 CO -0.61 0.34 -0.21 0.40 -0.87 0.00 0.00 176.83 175.88 2dat h ILE 106 N 0.77 1.28 0.34 0.95 5.03 -0.39 -3.26 117.51 122.23 2dat h ILE 106 Ca 0.51 -1.36 -0.02 0.00 -0.12 0.00 0.00 64.86 63.88 2dat h ILE 106 Cb 0.77 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.82 2dat h ILE 106 CO -0.28 0.46 -0.16 0.58 -0.68 0.00 0.00 178.15 178.07 2dat h VAL 107 N 0.70 0.68 -0.81 1.67 2.07 0.52 -3.21 116.25 117.87 2dat h VAL 107 Ca 0.09 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.40 2dat h VAL 107 Cb 0.78 0.83 -0.10 0.00 -1.52 0.00 0.00 31.29 31.27 2dat h VAL 107 CO 0.06 0.06 -0.45 0.18 0.02 0.00 0.00 177.57 177.44 2dat n LEU 108 N -5.22 -0.81 -0.27 2.57 4.77 -0.25 -0.10 117.00 117.68 2dat n LEU 108 Ca -0.10 1.43 -0.09 0.00 -0.03 0.00 0.00 56.01 57.22 2dat n LEU 108 Cb 0.24 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2dat n LEU 108 CO 0.34 -1.18 0.54 1.56 -1.33 0.00 0.00 177.39 177.31 2dat h GLN 109 N 0.00 -0.16 -1.26 3.23 4.20 -1.60 0.93 115.11 120.45 2dat h GLN 109 Ca 0.15 0.01 0.36 0.00 0.06 0.00 0.00 58.65 59.23 2dat h GLN 109 Cb 0.35 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 2dat h GLN 109 CO -0.76 -0.11 0.91 1.03 -0.67 0.00 0.00 178.83 179.23 2dat h SER 110 N -0.17 0.00 0.16 1.46 0.87 -0.55 0.31 113.55 115.63 2dat h SER 110 Ca 0.18 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.50 2dat h SER 110 Cb 0.54 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2dat h SER 110 CO -0.78 0.00 -1.12 0.58 -0.53 0.00 0.00 176.83 174.99 2dat h VAL 111 N 0.00 1.34 0.44 2.23 2.07 0.12 -3.23 116.25 119.23 2dat h VAL 111 Ca 0.60 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 2dat h VAL 111 Cb 2.41 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 35.24 2dat h VAL 111 CO -0.01 0.74 -0.21 0.15 0.02 0.00 0.00 177.57 178.26 2dat h PHE 112 N -0.23 -0.55 -0.41 1.57 3.57 0.15 -0.77 116.94 120.27 2dat h PHE 112 Ca -0.21 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.34 2dat h PHE 112 Cb 1.80 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 40.64 2dat h PHE 112 CO 0.16 -0.26 -0.51 0.87 -2.23 0.00 0.00 178.31 176.35 2dat h LYS 113 N -0.77 -0.36 -0.55 1.11 1.57 -0.96 -0.69 116.57 115.92 2dat h LYS 113 Ca -0.06 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2dat h LYS 113 Cb 0.54 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 2dat h LYS 113 CO 0.10 -0.24 0.29 0.77 -0.57 0.00 0.00 179.45 179.80 2dat h SER 114 N -0.37 0.42 -0.58 0.86 0.02 -1.58 -2.45 113.55 109.87 2dat h SER 114 Ca 0.10 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.19 2dat h SER 114 Cb 0.60 -0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.97 2dat h SER 114 CO -0.59 0.29 -0.23 0.00 -1.14 0.00 0.00 176.83 175.15 2dat h ALA 115 N 1.29 0.20 0.80 3.77 0.00 0.32 0.61 119.26 126.25 2dat h ALA 115 Ca 0.24 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 2dat h ALA 115 Cb 0.14 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2dat h ALA 115 CO -0.16 -0.54 -0.38 -0.09 0.00 0.00 0.00 179.25 178.07 2dat h ARG 116 N -0.09 -1.03 -0.23 0.00 2.43 -0.88 -3.23 114.38 111.35 2dat h ARG 116 Ca 0.26 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2dat h ARG 116 Cb 0.50 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 2dat h ARG 116 CO -0.64 -0.69 -0.40 1.96 -1.51 0.00 0.00 179.97 178.69 2dat h GLN 117 N -1.07 -0.32 -5.35 0.20 4.20 -0.96 -3.34 115.11 108.47 2dat h GLN 117 Ca -0.11 0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 2dat h GLN 117 Cb 0.82 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 2dat h GLN 117 CO 0.18 -0.21 0.75 0.45 -0.67 0.00 0.00 178.83 179.32 2dat n SER 118 N -4.64 1.48 -1.24 1.46 2.88 0.15 -4.63 113.62 109.08 2dat n SER 118 Ca -0.03 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 2dat n SER 118 Cb 0.26 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 2dat n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dat n GLY 119 N 6.44 4.76 0.00 0.46 0.00 -1.17 -4.89 105.19 110.80 2dat n GLY 119 Ca 0.48 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 44.62 2dat n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dat n PRO 120 N 0.00 0.13 -0.09 1.61 -0.04 -1.26 -3.60 135.00 131.75 2dat n PRO 120 Ca 0.00 0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2dat n PRO 120 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dat n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dat n SER 121 N -1.36 1.89 -4.49 3.54 2.88 -1.26 -4.89 113.62 109.94 2dat n SER 121 Ca 0.06 0.32 -0.43 0.00 -1.33 0.00 0.00 58.87 57.49 2dat n SER 121 Cb 0.14 -0.73 -0.07 0.00 -0.75 0.00 0.00 64.21 62.79 2dat n SER 121 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dat s SER 122 N -5.87 6.26 0.00 -3.46 0.01 -1.24 -5.19 113.70 104.22 2dat s SER 122 Ca -0.28 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2dat s SER 122 Cb 0.04 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dat s SER 122 CO 0.42 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.90