#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 6.04 -0.22 1.61 1.04 -1.26 -4.98 113.70 115.94 2dat s SER 2 Ca 0.00 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.31 2dat s SER 2 Cb 0.00 -2.10 -0.18 0.00 0.10 0.00 0.00 66.02 63.84 2dat s SER 2 CO 0.00 0.04 0.10 -1.20 0.98 0.00 0.00 173.24 173.17 2dat n SER 3 N 4.43 1.89 0.00 7.02 7.64 -1.26 -5.07 113.62 128.27 2dat n SER 3 Ca -0.15 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2dat n SER 3 Cb 0.52 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2dat n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 4 N 1.43 3.21 0.14 0.23 0.00 -1.26 -5.05 105.19 103.89 2dat n GLY 4 Ca -0.37 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.26 2dat n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dat h SER 5 N 0.00 0.52 -3.33 1.61 4.64 -2.04 -3.44 113.55 111.51 2dat h SER 5 Ca 0.00 -0.86 -0.54 0.00 -0.47 0.00 0.00 61.79 59.92 2dat h SER 5 Cb 0.00 -0.17 -0.40 0.00 -0.31 0.00 0.00 62.40 61.52 2dat h SER 5 CO 0.00 1.74 -0.77 -0.44 -0.87 0.00 0.00 176.83 176.49 2dat s SER 6 N -7.16 3.12 -0.04 4.97 0.01 -1.26 -5.00 113.70 108.34 2dat s SER 6 Ca -0.16 -0.92 -0.05 0.00 1.31 0.00 0.00 55.95 56.13 2dat s SER 6 Cb 0.06 -0.70 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 2dat s SER 6 CO 0.83 -0.30 -0.12 0.61 0.41 0.00 0.00 173.24 174.68 2dat n GLY 7 N 4.98 -0.18 3.84 3.44 0.00 -1.26 -5.03 105.19 110.98 2dat n GLY 7 Ca -0.09 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.90 6.79 0.22 1.61 1.04 -1.26 -5.06 113.70 111.14 2dat s SER 8 Ca -0.11 0.93 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 2dat s SER 8 Cb 0.03 -2.24 -0.09 0.00 0.10 0.00 0.00 66.02 63.82 2dat s SER 8 CO 0.15 0.33 1.28 -2.16 0.98 0.00 0.00 173.24 173.82 2dat s PRO 9 N -1.08 4.41 0.65 4.02 0.04 -1.26 -4.96 135.00 136.81 2dat s PRO 9 Ca 0.23 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 2dat s PRO 9 Cb -0.16 -3.18 -0.13 0.00 0.04 0.00 0.00 34.50 31.07 2dat s PRO 9 CO 0.13 -0.20 -0.12 0.27 0.04 0.00 0.00 177.00 177.13 2dat n ASN 10 N 2.24 -3.58 -4.72 6.66 0.23 -1.26 -4.92 115.26 109.90 2dat n ASN 10 Ca 0.05 0.55 -0.30 0.00 -0.53 0.00 0.00 54.58 54.35 2dat n ASN 10 Cb 0.43 -0.91 0.13 0.00 -2.08 0.00 0.00 39.78 37.35 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2dat s PRO 11 N -1.57 1.39 0.02 -0.53 0.04 -1.26 -4.89 135.00 128.20 2dat s PRO 11 Ca 0.56 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 2dat s PRO 11 Cb -0.40 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 2dat s PRO 11 CO 0.67 -2.16 1.32 -1.00 0.04 0.00 0.00 177.00 175.87 2dat h PRO 12 N -1.49 0.22 -1.00 0.56 0.13 -1.99 -2.40 132.00 126.03 2dat h PRO 12 Ca -0.49 -0.12 0.27 0.00 -0.87 0.00 0.00 66.00 64.80 2dat h PRO 12 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2dat h PRO 12 CO 0.54 0.64 0.69 0.87 -0.23 0.00 0.00 178.00 180.52 2dat h LYS 13 N -0.19 0.18 0.01 0.86 1.79 -2.00 0.23 116.57 117.46 2dat h LYS 13 Ca 0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2dat h LYS 13 Cb 0.60 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2dat h LYS 13 CO 0.02 0.12 -0.01 1.25 -1.08 0.00 0.00 179.45 179.76 2dat h LEU 14 N 0.19 -0.01 -0.29 2.94 5.85 -1.93 -3.28 115.31 118.77 2dat h LEU 14 Ca 0.51 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2dat h LEU 14 Cb 1.67 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.63 2dat h LEU 14 CO -0.12 0.67 -0.37 0.74 -0.34 0.00 0.00 178.44 179.02 2dat h THR 15 N -1.00 0.20 -0.62 1.05 2.02 -0.85 -2.37 112.91 111.34 2dat h THR 15 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2dat h THR 15 Cb 0.39 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 66.90 2dat h THR 15 CO 0.00 0.00 -0.54 0.50 0.37 0.00 0.00 175.52 175.86 2dat h LYS 16 N -0.35 -0.20 -0.89 6.66 1.63 -1.15 0.17 116.57 122.44 2dat h LYS 16 Ca 0.13 0.01 0.23 0.00 -0.85 0.00 0.00 60.65 60.18 2dat h LYS 16 Cb 0.57 0.05 -0.16 0.00 -0.60 0.00 0.00 32.23 32.09 2dat h LYS 16 CO -0.48 -0.14 0.06 0.37 -3.45 0.00 0.00 179.45 175.81 2dat h GLN 17 N -0.21 0.07 -0.37 1.90 5.75 -1.49 0.41 115.11 121.17 2dat h GLN 17 Ca 0.10 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2dat h GLN 17 Cb 0.48 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2dat h GLN 17 CO -0.70 0.05 0.21 0.52 -2.65 0.00 0.00 178.83 176.26 2dat h MET 18 N 0.08 0.51 -0.12 1.69 2.86 -0.42 -2.79 114.93 116.74 2dat h MET 18 Ca 0.53 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.12 2dat h MET 18 Cb 1.04 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2dat h MET 18 CO -0.79 0.40 0.07 -0.91 1.06 0.00 0.00 176.91 176.74 2dat h ASN 19 N 0.47 0.12 -0.33 1.22 2.35 0.12 -2.82 115.58 116.71 2dat h ASN 19 Ca 0.13 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2dat h ASN 19 Cb 0.04 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.30 2dat h ASN 19 CO -0.02 0.09 -0.47 0.00 -1.65 0.00 0.00 177.43 175.37 2dat h ALA 20 N 1.05 -0.59 -0.28 -0.83 0.00 -0.70 0.29 119.26 118.20 2dat h ALA 20 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dat h ALA 20 Cb -0.01 0.94 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dat h ALA 20 CO -0.02 -0.94 0.00 -0.89 0.00 0.00 0.00 179.25 177.40 2dat n ILE 21 N -5.41 0.00 -0.04 0.00 5.41 -1.07 -1.74 119.36 116.50 2dat n ILE 21 Ca -0.02 1.45 -0.06 0.00 1.00 0.00 0.00 62.75 65.12 2dat n ILE 21 Cb 0.36 -2.19 -0.04 0.00 -0.71 0.00 0.00 39.64 37.05 2dat n ILE 21 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2dat h ILE 22 N 0.00 0.00 -0.99 1.39 1.08 -1.35 0.12 117.51 117.76 2dat h ILE 22 Ca 0.00 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.82 2dat h ILE 22 Cb 0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.64 2dat h ILE 22 CO 0.00 0.00 0.63 -0.67 -0.69 0.00 0.00 178.15 177.42 2dat n ASP 23 N -3.84 0.16 0.04 1.72 2.03 0.99 0.23 116.55 117.88 2dat n ASP 23 Ca -0.02 1.04 -0.19 0.00 0.52 0.00 0.00 54.79 56.14 2dat n ASP 23 Cb 0.15 -0.51 -0.13 0.00 -0.72 0.00 0.00 41.12 39.91 2dat n ASP 23 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2dat h THR 24 N 0.00 1.47 0.75 5.18 2.02 0.03 -2.66 112.91 119.71 2dat h THR 24 Ca 0.65 -2.36 -0.04 0.00 0.77 0.00 0.00 66.41 65.43 2dat h THR 24 Cb 2.05 2.96 0.01 0.00 -1.74 0.00 0.00 68.15 71.43 2dat h THR 24 CO -0.36 0.68 -0.36 0.58 0.37 0.00 0.00 175.52 176.42 2dat h VAL 25 N -0.25 0.20 -0.25 3.16 2.07 0.44 0.25 116.25 121.88 2dat h VAL 25 Ca -0.12 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.34 2dat h VAL 25 Cb 1.53 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2dat h VAL 25 CO 0.14 0.01 -0.03 0.40 0.02 0.00 0.00 177.57 178.11 2dat h ILE 26 N -1.10 0.78 -0.44 4.57 2.04 -1.07 -2.47 117.51 119.82 2dat h ILE 26 Ca -0.10 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2dat h ILE 26 Cb 0.79 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2dat h ILE 26 CO 0.17 0.01 0.29 0.78 0.00 0.00 0.00 178.15 179.40 2dat h ASN 27 N 0.04 0.50 -1.01 1.72 2.35 -1.46 -3.39 115.58 114.33 2dat h ASN 27 Ca 0.12 -0.01 -0.56 0.00 -0.55 0.00 0.00 56.30 55.29 2dat h ASN 27 Cb 0.17 -0.12 0.10 0.00 0.05 0.00 0.00 38.32 38.52 2dat h ASN 27 CO -0.23 0.36 -0.55 0.00 -1.65 0.00 0.00 177.43 175.36 2dat n TYR 28 N -4.78 -0.78 -4.21 1.19 4.19 0.89 -4.87 117.16 108.78 2dat n TYR 28 Ca 0.01 0.75 -0.13 0.00 3.31 0.00 0.00 57.90 61.84 2dat n TYR 28 Cb 0.02 -1.64 -0.10 0.00 0.49 0.00 0.00 39.34 38.11 2dat n TYR 28 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2dat s LYS 29 N -0.86 0.95 -0.05 2.98 -2.85 -1.26 -3.99 119.74 114.67 2dat s LYS 29 Ca 0.54 -1.35 -0.07 0.00 -1.00 0.00 0.00 55.97 54.08 2dat s LYS 29 Cb -0.73 -0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 34.51 2dat s LYS 29 CO 0.49 0.05 -0.15 -0.40 0.10 0.00 0.00 175.35 175.44 2dat n ASP 30 N 0.03 1.31 -3.05 0.03 5.75 -1.25 -4.99 116.55 114.39 2dat n ASP 30 Ca -0.12 0.20 -0.16 0.00 -0.01 0.00 0.00 54.79 54.71 2dat n ASP 30 Cb 0.60 -0.47 0.13 0.00 -1.03 0.00 0.00 41.12 40.35 2dat n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2dat n SER 31 N -3.82 -1.51 -1.85 -1.12 7.64 -1.23 -4.83 113.62 106.89 2dat n SER 31 Ca -0.11 -0.86 -0.07 0.00 1.01 0.00 0.00 58.87 58.85 2dat n SER 31 Cb 0.34 -0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 2dat n SER 31 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dat n SER 32 N -3.95 4.83 0.00 6.43 7.64 -1.26 -4.39 113.62 122.92 2dat n SER 32 Ca 0.08 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.60 2dat n SER 32 Cb 0.31 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2dat n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dat n GLY 33 N 2.17 3.49 3.66 0.23 0.00 -1.26 -5.10 105.19 108.38 2dat n GLY 33 Ca 0.24 -0.55 -0.50 0.00 0.00 0.00 0.00 46.02 45.21 2dat n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dat n ARG 34 N 0.00 1.87 -1.68 1.61 0.63 -1.26 -4.91 116.66 112.92 2dat n ARG 34 Ca 0.00 0.67 -0.29 0.00 -0.92 0.00 0.00 57.85 57.31 2dat n ARG 34 Cb 0.00 -2.56 0.12 0.00 0.45 0.00 0.00 32.46 30.47 2dat n ARG 34 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2dat s GLN 35 N 4.34 1.42 -0.12 -0.14 0.74 -1.26 -3.54 119.66 121.10 2dat s GLN 35 Ca 0.96 0.21 -0.11 0.00 0.05 0.00 0.00 55.36 56.47 2dat s GLN 35 Cb -0.76 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 2dat s GLN 35 CO 0.53 -1.99 -0.22 1.28 -0.55 0.00 0.00 175.29 174.35 2dat n LEU 36 N -3.61 1.41 0.02 3.68 4.32 -1.26 -4.33 117.00 117.24 2dat n LEU 36 Ca 0.07 0.35 0.18 0.00 -0.02 0.00 0.00 56.01 56.59 2dat n LEU 36 Cb 0.60 -0.71 0.37 0.00 -1.62 0.00 0.00 43.42 42.05 2dat n LEU 36 CO 0.57 -0.38 1.17 0.77 -1.22 0.00 0.00 177.39 178.29 2dat h SER 37 N -0.75 0.00 -0.63 -1.43 4.64 -1.83 -1.58 113.55 111.97 2dat h SER 37 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2dat h SER 37 Cb 0.62 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.62 2dat h SER 37 CO 0.00 0.00 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.11 2dat h GLU 38 N 0.00 -0.18 0.00 4.77 5.08 -1.88 1.29 114.58 123.67 2dat h GLU 38 Ca 0.28 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2dat h GLU 38 Cb 2.30 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.59 2dat h GLU 38 CO -0.00 -0.12 0.00 1.33 -1.00 0.00 0.00 179.01 179.22 2dat n VAL 39 N -5.07 1.20 -0.97 3.13 0.24 -0.59 -1.36 118.33 114.91 2dat n VAL 39 Ca -0.01 0.41 0.07 0.00 -2.04 0.00 0.00 64.34 62.77 2dat n VAL 39 Cb 0.27 -1.32 0.33 0.00 -1.47 0.00 0.00 33.84 31.65 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 -1.86 1.57 0.00 6.34 3.01 0.42 -4.67 117.46 122.27 2dat n PHE 40 Ca 0.01 -0.84 0.00 0.00 1.01 0.00 0.00 57.45 57.63 2dat n PHE 40 Cb 0.12 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 2dat n PHE 40 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2dat n ILE 41 N 0.02 0.00 -3.49 4.37 2.08 0.01 -2.68 119.36 119.68 2dat n ILE 41 Ca 0.26 0.28 -0.37 0.00 0.56 0.00 0.00 62.75 63.48 2dat n ILE 41 Cb 1.07 -1.09 -0.07 0.00 -0.75 0.00 0.00 39.64 38.80 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 -0.56 4.24 0.31 0.38 -0.21 -1.26 -4.28 119.66 118.28 2dat s GLN 42 Ca 0.00 0.14 -0.04 0.00 0.02 0.00 0.00 55.36 55.48 2dat s GLN 42 Cb 0.00 -3.46 -0.05 0.00 1.00 0.00 0.00 33.01 30.51 2dat s GLN 42 CO 0.00 0.16 0.57 -0.51 -2.12 0.00 0.00 175.29 173.39 2dat s LEU 43 N 0.70 4.02 -0.93 2.90 1.43 -1.26 -4.99 118.68 120.55 2dat s LEU 43 Ca 0.18 0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 53.71 2dat s LEU 43 Cb -0.14 -3.51 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2dat s LEU 43 CO 0.05 -0.24 1.94 -2.16 0.23 0.00 0.00 176.35 176.18 2dat s PRO 44 N -3.77 2.56 0.28 1.29 0.04 -1.26 -4.93 135.00 129.21 2dat s PRO 44 Ca 0.43 -0.37 -0.16 0.00 0.04 0.00 0.00 61.00 60.94 2dat s PRO 44 Cb -0.10 -5.08 -0.12 0.00 0.04 0.00 0.00 34.50 29.24 2dat s PRO 44 CO 0.32 -3.43 0.10 0.45 0.04 0.00 0.00 177.00 174.49 2dat n SER 45 N 13.98 -1.98 -0.36 6.66 2.88 -1.26 -3.75 113.62 129.80 2dat n SER 45 Ca 0.41 0.63 0.32 0.00 -1.33 0.00 0.00 58.87 58.89 2dat n SER 45 Cb 0.47 -0.66 0.56 0.00 -0.75 0.00 0.00 64.21 63.83 2dat n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dat n ARG 46 N 0.96 -0.04 -0.04 -1.46 5.12 -1.26 0.18 116.66 120.11 2dat n ARG 46 Ca 0.09 1.12 -0.12 0.00 -1.93 0.00 0.00 57.85 57.01 2dat n ARG 46 Cb 0.28 -2.13 -0.06 0.00 -1.16 0.00 0.00 32.46 29.39 2dat n ARG 46 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2dat h LYS 47 N 0.00 0.23 -0.16 5.56 1.63 -2.00 -2.55 116.57 119.29 2dat h LYS 47 Ca 0.75 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.51 2dat h LYS 47 Cb 2.26 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 33.84 2dat h LYS 47 CO -0.49 0.47 -0.05 0.93 -3.45 0.00 0.00 179.45 176.86 2dat h GLU 48 N -0.03 -0.01 -0.77 1.90 4.39 0.16 -3.42 114.58 116.80 2dat h GLU 48 Ca 0.04 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.85 2dat h GLU 48 Cb 0.36 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.81 2dat h GLU 48 CO 0.01 -0.01 -0.20 -1.17 -1.16 0.00 0.00 179.01 176.48 2dat s LEU 49 N -10.36 -1.17 0.30 1.33 2.96 -0.76 -4.99 118.68 105.99 2dat s LEU 49 Ca -0.13 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 2dat s LEU 49 Cb 0.09 1.85 0.46 0.00 0.50 0.00 0.00 46.19 49.10 2dat s LEU 49 CO 0.68 -0.22 1.69 1.55 -1.32 0.00 0.00 176.35 178.73 2dat h PRO 50 N 7.89 0.14 -0.56 0.98 0.13 -1.70 -3.32 132.00 135.56 2dat h PRO 50 Ca -0.12 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 64.99 2dat h PRO 50 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2dat h PRO 50 CO 0.11 0.59 -0.33 -1.91 -0.23 0.00 0.00 178.00 176.22 2dat n GLU 51 N -3.97 -0.24 -0.32 0.86 2.13 -1.26 -0.21 120.64 117.62 2dat n GLU 51 Ca -0.02 1.12 -0.02 0.00 0.66 0.00 0.00 57.16 58.90 2dat n GLU 51 Cb 0.51 -1.66 0.01 0.00 0.27 0.00 0.00 31.44 30.57 2dat n GLU 51 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2dat n TYR 52 N -4.30 -0.05 -0.02 4.31 9.36 -1.25 0.19 117.16 125.40 2dat n TYR 52 Ca 0.01 1.00 -0.04 0.00 3.32 0.00 0.00 57.90 62.20 2dat n TYR 52 Cb 0.14 -0.75 0.20 0.00 -0.63 0.00 0.00 39.34 38.30 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 0.63 0.11 2.98 0.05 -0.81 0.47 116.97 120.41 2dat h TYR 53 Ca 0.25 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.94 2dat h TYR 53 Cb 0.45 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 2dat h TYR 53 CO -0.74 0.71 -0.26 0.93 -1.05 0.00 0.00 178.16 177.75 2dat h GLU 54 N 0.52 -0.45 0.02 4.88 5.08 0.52 -3.24 114.58 121.91 2dat h GLU 54 Ca 0.09 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2dat h GLU 54 Cb 0.58 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2dat h GLU 54 CO 0.04 -0.30 -0.09 1.37 -1.00 0.00 0.00 179.01 179.02 2dat h LEU 55 N -0.47 0.05 -9.90 1.33 -0.00 -1.04 -3.46 115.31 101.82 2dat h LEU 55 Ca 0.03 -0.99 -0.53 0.00 -0.00 0.00 0.00 57.88 56.39 2dat h LEU 55 Cb 0.50 -0.02 0.07 0.00 -0.00 0.00 0.00 40.66 41.21 2dat h LEU 55 CO -0.15 1.05 0.66 -0.63 -0.00 0.00 0.00 178.44 179.36 2dat s ILE 56 N -2.24 2.59 -0.11 0.15 -1.09 0.16 -4.98 121.20 115.69 2dat s ILE 56 Ca -0.18 0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 58.75 2dat s ILE 56 Cb -0.03 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2dat s ILE 56 CO 0.71 0.13 -0.15 0.54 -1.23 0.00 0.00 174.94 174.94 2dat n ARG 57 N 0.62 0.36 -3.82 2.79 1.74 -1.26 -4.59 116.66 112.50 2dat n ARG 57 Ca 0.01 0.45 -0.30 0.00 -0.77 0.00 0.00 57.85 57.23 2dat n ARG 57 Cb 0.42 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 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 -2.02 2.71 -0.03 5.56 3.01 -1.26 -5.07 119.74 122.65 2dat s LYS 58 Ca -0.12 -3.33 -0.30 0.00 -1.01 0.00 0.00 55.97 51.21 2dat s LYS 58 Cb 0.02 -3.59 -0.05 0.00 -1.01 0.00 0.00 37.83 33.20 2dat s LYS 58 CO 0.18 -1.28 1.47 -1.25 0.51 0.00 0.00 175.35 174.99 2dat s PRO 59 N -1.42 4.24 0.17 -1.68 0.04 -1.26 -4.96 135.00 130.12 2dat s PRO 59 Ca 0.26 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.38 2dat s PRO 59 Cb -0.05 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2dat s PRO 59 CO -0.15 -0.68 -0.12 0.54 0.04 0.00 0.00 177.00 176.63 2dat s VAL 60 N 2.99 1.42 0.20 -0.36 0.11 -1.26 -5.14 120.40 118.36 2dat s VAL 60 Ca 0.66 -2.10 -0.03 0.00 -2.93 0.00 0.00 61.98 57.58 2dat s VAL 60 Cb -0.31 -1.91 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2dat s VAL 60 CO 0.26 -0.66 0.17 1.51 -3.33 0.00 0.00 175.10 173.05 2dat s ASP 61 N -3.18 0.13 0.41 3.54 1.47 -1.26 -4.69 116.67 113.09 2dat s ASP 61 Ca 0.19 -1.29 0.11 0.00 1.18 0.00 0.00 52.55 52.74 2dat s ASP 61 Cb 0.01 0.40 0.94 0.00 -0.34 0.00 0.00 42.92 43.93 2dat s ASP 61 CO 0.03 -0.87 1.98 -0.26 0.68 0.00 0.00 175.17 176.73 2dat h PHE 62 N 2.60 0.53 -0.45 2.11 0.04 -1.71 -1.57 116.94 118.50 2dat h PHE 62 Ca -0.34 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.44 2dat h PHE 62 Cb 1.24 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 2dat h PHE 62 CO 0.37 0.26 0.29 0.87 -0.60 0.00 0.00 178.31 179.51 2dat h LYS 63 N 0.51 0.60 0.06 1.51 1.79 -1.82 -2.29 116.57 116.93 2dat h LYS 63 Ca 0.28 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2dat h LYS 63 Cb 0.44 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2dat h LYS 63 CO -0.09 0.40 -0.03 0.87 -1.08 0.00 0.00 179.45 179.53 2dat h LYS 64 N 0.61 -0.08 -0.43 3.15 1.79 -1.67 -1.67 116.57 118.26 2dat h LYS 64 Ca 0.16 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.70 2dat h LYS 64 Cb -0.06 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.52 2dat h LYS 64 CO -0.03 0.24 -0.50 0.82 -1.08 0.00 0.00 179.45 178.89 2dat h ILE 65 N -0.40 0.05 -0.17 1.86 2.04 -1.25 -1.46 117.51 118.18 2dat h ILE 65 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2dat h ILE 65 Cb 0.35 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2dat h ILE 65 CO 0.01 0.00 0.06 0.11 0.00 0.00 0.00 178.15 178.33 2dat h LYS 66 N -0.35 0.14 -1.43 2.37 1.57 -1.45 -2.00 116.57 115.42 2dat h LYS 66 Ca 0.11 -0.01 0.45 0.00 -1.87 0.00 0.00 60.65 59.33 2dat h LYS 66 Cb 0.59 -0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.76 2dat h LYS 66 CO -0.60 0.09 0.96 1.49 -0.57 0.00 0.00 179.45 180.82 2dat h GLU 67 N 0.14 0.07 -0.02 3.15 4.81 -0.29 0.46 114.58 122.90 2dat h GLU 67 Ca 0.07 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2dat h GLU 67 Cb 0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2dat h GLU 67 CO -0.08 0.05 -0.08 0.00 -0.73 0.00 0.00 179.01 178.17 2dat h ARG 68 N 0.08 0.10 -0.94 1.92 -0.00 -0.76 -0.66 114.38 114.10 2dat h ARG 68 Ca 0.81 -0.07 0.26 0.00 -0.50 0.00 0.00 59.98 60.48 2dat h ARG 68 Cb 2.74 0.01 -0.05 0.00 0.00 0.00 0.00 29.97 32.67 2dat h ARG 68 CO -0.29 0.69 0.66 0.82 0.00 0.00 0.00 179.97 181.86 2dat h ILE 69 N -0.48 0.55 0.14 2.04 2.04 0.01 0.16 117.51 121.97 2dat h ILE 69 Ca -0.00 -0.03 -0.35 0.00 1.00 0.00 0.00 64.86 65.47 2dat h ILE 69 Cb 0.70 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2dat h ILE 69 CO 0.02 0.02 -1.86 0.08 0.00 0.00 0.00 178.15 176.41 2dat h ARG 70 N 0.10 0.30 -0.18 2.37 0.11 -1.38 -3.32 114.38 112.37 2dat h ARG 70 Ca 0.46 -0.52 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2dat h ARG 70 Cb 1.67 0.19 0.00 0.00 1.11 0.00 0.00 29.97 32.94 2dat h ARG 70 CO -0.06 1.21 0.00 0.09 0.10 0.00 0.00 179.97 181.31 2dat n ASN 71 N -3.50 0.19 -3.97 0.08 3.02 -0.16 -4.87 115.26 106.05 2dat n ASN 71 Ca -0.27 -2.00 -0.28 0.00 -0.03 0.00 0.00 54.58 52.00 2dat n ASN 71 Cb 1.06 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 40.13 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 -0.40 -1.77 -0.08 3.10 8.25 0.39 -4.89 115.22 119.82 2dat n HIS 72 Ca 0.00 0.78 -0.23 0.00 -0.26 0.00 0.00 57.72 58.02 2dat n HIS 72 Cb 0.05 -3.69 -0.12 0.00 1.12 0.00 0.00 29.99 27.35 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 -4.42 0.63 -1.80 -0.41 4.76 -0.50 -4.77 118.16 111.66 2dat n LYS 73 Ca -0.20 0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 55.23 2dat n LYS 73 Cb 0.63 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 2dat n LYS 73 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2dat s TYR 74 N -2.45 2.07 0.10 2.13 2.02 -1.26 -4.89 117.35 115.06 2dat s TYR 74 Ca -0.29 0.03 -0.09 0.00 -0.37 0.00 0.00 57.07 56.35 2dat s TYR 74 Cb 0.08 -4.10 -0.18 0.00 -0.40 0.00 0.00 41.96 37.36 2dat s TYR 74 CO 0.63 -4.57 1.23 0.00 -1.57 0.00 0.00 175.55 171.27 2dat h ARG 75 N 8.94 0.54 0.00 -0.62 2.47 -1.99 -3.47 114.38 120.25 2dat h ARG 75 Ca -0.45 -0.61 0.03 0.00 -1.26 0.00 0.00 59.98 57.69 2dat h ARG 75 Cb 1.21 0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.71 2dat h ARG 75 CO 0.94 1.23 0.22 0.45 0.56 0.00 0.00 179.97 183.37 2dat n SER 76 N -3.78 -1.04 -0.16 7.04 2.88 -1.26 -5.04 113.62 112.25 2dat n SER 76 Ca -0.09 -1.65 -0.05 0.00 -1.33 0.00 0.00 58.87 55.75 2dat n SER 76 Cb 0.88 1.72 0.04 0.00 -0.75 0.00 0.00 64.21 66.10 2dat n SER 76 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2dat h LEU 77 N 0.00 0.40 -0.96 2.46 3.38 -1.94 -3.00 115.31 115.66 2dat h LEU 77 Ca -0.16 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.92 2dat h LEU 77 Cb 0.62 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.20 2dat h LEU 77 CO 0.20 0.28 -0.56 0.61 0.09 0.00 0.00 178.44 179.07 2dat n GLY 78 N -1.24 -2.47 0.37 0.83 0.00 -1.26 -1.14 105.19 100.28 2dat n GLY 78 Ca 0.04 1.14 -0.15 0.00 0.00 0.00 0.00 46.02 47.05 2dat n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dat h ASP 79 N 0.00 -1.01 -0.93 1.61 2.03 -1.95 -2.35 116.42 113.83 2dat h ASP 79 Ca 0.16 0.10 0.22 0.00 -0.73 0.00 0.00 57.03 56.78 2dat h ASP 79 Cb 0.40 0.36 -0.17 0.00 -0.83 0.00 0.00 39.33 39.09 2dat h ASP 79 CO -0.90 -0.47 -0.10 -0.11 -1.03 0.00 0.00 179.24 176.63 2dat n LEU 80 N -5.45 -0.21 0.13 0.15 7.94 -0.29 0.37 117.00 119.64 2dat n LEU 80 Ca -0.08 1.58 -0.13 0.00 -1.11 0.00 0.00 56.01 56.27 2dat n LEU 80 Cb 0.36 -0.53 -0.07 0.00 0.53 0.00 0.00 43.42 43.71 2dat n LEU 80 CO 0.24 -1.56 0.79 -0.08 -1.11 0.00 0.00 177.39 175.67 2dat h GLU 81 N 0.00 -0.28 -0.98 1.96 4.81 -0.79 -0.27 114.58 119.04 2dat h GLU 81 Ca 0.51 0.02 0.33 0.00 -0.13 0.00 0.00 59.36 60.08 2dat h GLU 81 Cb 0.93 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.22 2dat h GLU 81 CO -0.91 -0.19 0.42 0.87 -0.73 0.00 0.00 179.01 178.47 2dat h LYS 82 N -0.29 0.15 0.14 1.92 1.79 0.23 0.16 116.57 120.68 2dat h LYS 82 Ca -0.02 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2dat h LYS 82 Cb 0.25 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2dat h LYS 82 CO 0.01 0.10 -0.07 -0.44 -1.08 0.00 0.00 179.45 177.98 2dat h ASP 83 N 0.16 -0.16 -0.97 0.86 5.19 -1.03 -2.32 116.42 118.14 2dat h ASP 83 Ca 0.72 0.01 0.28 0.00 -0.62 0.00 0.00 57.03 57.42 2dat h ASP 83 Cb 1.68 0.04 -0.18 0.00 0.18 0.00 0.00 39.33 41.06 2dat h ASP 83 CO -0.71 0.29 0.12 0.58 -3.12 0.00 0.00 179.24 176.40 2dat h VAL 84 N -1.00 0.06 -0.15 -1.35 2.07 -0.20 0.42 116.25 116.10 2dat h VAL 84 Ca -0.02 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 2dat h VAL 84 Cb 0.15 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2dat h VAL 84 CO 0.03 0.01 -0.18 0.24 0.02 0.00 0.00 177.57 177.69 2dat h MET 85 N 0.03 0.38 -0.89 1.57 2.86 -0.83 -3.03 114.93 115.02 2dat h MET 85 Ca 0.62 -0.21 0.15 0.00 -2.06 0.00 0.00 59.70 58.20 2dat h MET 85 Cb 1.34 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 2dat h MET 85 CO -0.87 0.78 0.57 1.25 1.06 0.00 0.00 176.91 179.71 2dat h LEU 86 N -0.00 0.61 -0.47 1.22 5.85 0.30 0.21 115.31 123.04 2dat h LEU 86 Ca 0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2dat h LEU 86 Cb 0.73 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2dat h LEU 86 CO 0.04 0.30 0.05 0.25 -0.34 0.00 0.00 178.44 178.74 2dat h LEU 87 N 0.64 0.77 0.06 2.25 6.46 -0.84 -1.90 115.31 122.76 2dat h LEU 87 Ca 0.45 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2dat h LEU 87 Cb 0.79 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2dat h LEU 87 CO -0.21 0.86 -0.03 0.00 -0.62 0.00 0.00 178.44 178.44 2dat h HIS 89 N -0.62 -0.80 -0.92 0.00 -0.00 -0.67 -0.10 115.15 112.04 2dat h HIS 89 Ca -0.01 0.04 0.17 0.00 -0.00 0.00 0.00 60.37 60.57 2dat h HIS 89 Cb 0.53 0.39 -0.08 0.00 -0.00 0.00 0.00 27.41 28.25 2dat h HIS 89 CO 0.10 -0.36 0.59 -0.91 -0.00 0.00 0.00 177.93 177.34 2dat h ASN 90 N -0.30 0.63 -0.07 3.26 4.21 -1.42 -1.84 115.58 120.04 2dat h ASN 90 Ca 0.13 0.05 0.04 0.00 1.21 0.00 0.00 56.30 57.73 2dat h ASN 90 Cb 0.51 -0.07 -0.06 0.00 -1.12 0.00 0.00 38.32 37.59 2dat h ASN 90 CO -0.41 0.28 -0.30 0.00 -1.29 0.00 0.00 177.43 175.71 2dat h ALA 91 N 1.61 -0.37 -0.83 -0.83 0.00 -0.82 -1.77 119.26 116.25 2dat h ALA 91 Ca 0.48 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2dat h ALA 91 Cb 0.86 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2dat h ALA 91 CO -0.23 -0.79 0.45 1.96 0.00 0.00 0.00 179.25 180.64 2dat h GLN 92 N -0.41 1.15 -0.91 0.00 4.20 -1.17 0.63 115.11 118.61 2dat h GLN 92 Ca 0.08 -0.13 0.17 0.00 0.06 0.00 0.00 58.65 58.83 2dat h GLN 92 Cb 0.53 -0.23 -0.10 0.00 0.30 0.00 0.00 27.48 27.98 2dat h GLN 92 CO -0.30 0.85 0.50 1.15 -0.67 0.00 0.00 178.83 180.36 2dat h THR 93 N 1.16 0.71 0.00 -0.54 2.02 -0.78 -3.25 112.91 112.23 2dat h THR 93 Ca 0.29 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2dat h THR 93 Cb 0.03 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2dat h THR 93 CO -0.05 0.12 -0.77 0.33 0.37 0.00 0.00 175.52 175.52 2dat n PHE 94 N -4.84 0.57 -1.67 3.16 7.35 -0.90 -4.90 117.46 116.24 2dat n PHE 94 Ca 0.20 0.25 -0.43 0.00 -0.76 0.00 0.00 57.45 56.70 2dat n PHE 94 Cb 0.50 -0.69 -0.03 0.00 0.35 0.00 0.00 39.48 39.60 2dat n PHE 94 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2dat n ASN 95 N -4.54 4.04 -4.00 -2.13 3.02 0.22 -4.91 115.26 106.95 2dat n ASN 95 Ca -0.12 0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 54.99 2dat n ASN 95 Cb 0.39 -1.50 0.04 0.00 -0.61 0.00 0.00 39.78 38.10 2dat n ASN 95 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2dat n LEU 96 N 7.16 -5.74 -4.83 3.41 7.94 -1.26 -4.51 117.00 119.16 2dat n LEU 96 Ca 0.20 0.16 -0.31 0.00 -1.11 0.00 0.00 56.01 54.96 2dat n LEU 96 Cb 0.38 -0.74 0.04 0.00 0.53 0.00 0.00 43.42 43.64 2dat n LEU 96 CO 0.69 -5.71 0.71 -1.61 -1.11 0.00 0.00 177.39 170.36 2dat s GLU 97 N -2.01 3.04 0.00 1.96 8.01 -1.26 -3.52 118.70 124.92 2dat s GLU 97 Ca 0.40 0.91 0.00 0.00 0.01 0.00 0.00 54.97 56.28 2dat s GLU 97 Cb -0.15 -2.01 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 2dat s GLU 97 CO 0.81 -1.01 0.00 0.41 0.01 0.00 0.00 175.26 175.48 2dat n GLY 98 N -2.14 -0.28 2.49 -1.39 0.00 -1.26 -4.85 105.19 97.76 2dat n GLY 98 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2dat n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dat n SER 99 N -0.50 0.58 0.26 1.61 2.88 -1.23 -4.92 113.62 112.31 2dat n SER 99 Ca 0.00 -1.58 -0.15 0.00 -1.33 0.00 0.00 58.87 55.80 2dat n SER 99 Cb 0.28 -0.50 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 2dat n SER 99 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2dat h GLN 100 N 0.00 -0.63 -0.41 -1.46 5.75 -1.88 -3.19 115.11 113.29 2dat h GLN 100 Ca -0.24 0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.15 2dat h GLN 100 Cb 0.78 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 2dat h GLN 100 CO 0.22 -0.35 -0.34 0.82 -2.65 0.00 0.00 178.83 176.52 2dat h ILE 101 N -0.82 1.27 0.00 2.39 2.04 -1.95 -3.31 117.51 117.13 2dat h ILE 101 Ca -0.07 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.28 2dat h ILE 101 Cb 0.57 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2dat h ILE 101 CO 0.11 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.77 2dat n TYR 102 N -4.07 0.00 -0.30 1.37 9.36 -1.21 -1.32 117.16 120.98 2dat n TYR 102 Ca -0.02 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.10 2dat n TYR 102 Cb 0.53 -0.35 -0.07 0.00 -0.63 0.00 0.00 39.34 38.81 2dat n TYR 102 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2dat h GLU 103 N 0.00 -0.15 -0.98 2.98 5.08 -1.67 0.33 114.58 120.18 2dat h GLU 103 Ca 0.00 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.71 2dat h GLU 103 Cb 0.00 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 29.10 2dat h GLU 103 CO 0.00 -0.10 0.29 -3.47 -1.00 0.00 0.00 179.01 174.73 2dat n ASP 104 N -5.34 0.12 -0.23 1.42 -0.08 -0.44 0.15 116.55 112.16 2dat n ASP 104 Ca 0.01 1.65 -0.06 0.00 -1.51 0.00 0.00 54.79 54.87 2dat n ASP 104 Cb 0.31 -0.70 0.04 0.00 2.34 0.00 0.00 41.12 43.11 2dat n ASP 104 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2dat h SER 105 N 0.00 0.80 -0.40 1.67 4.64 0.86 -1.99 113.55 119.13 2dat h SER 105 Ca 0.72 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.87 2dat h SER 105 Cb 1.74 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 2dat h SER 105 CO -0.84 0.67 -0.02 0.40 -0.87 0.00 0.00 176.83 176.18 2dat h ILE 106 N 0.86 1.26 0.66 0.95 5.03 0.17 -3.26 117.51 123.18 2dat h ILE 106 Ca 0.22 -1.05 -0.02 0.00 -0.12 0.00 0.00 64.86 63.89 2dat h ILE 106 Cb 0.06 1.15 -0.01 0.00 -3.03 0.00 0.00 36.82 34.99 2dat h ILE 106 CO -0.03 0.35 -0.50 0.58 -0.68 0.00 0.00 178.15 177.87 2dat h VAL 107 N 0.54 0.01 -0.71 1.67 2.07 -0.77 -2.89 116.25 116.17 2dat h VAL 107 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 2dat h VAL 107 Cb 0.50 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 2dat h VAL 107 CO 0.02 0.00 -0.29 0.18 0.02 0.00 0.00 177.57 177.51 2dat n LEU 108 N -5.60 -0.48 0.14 2.57 4.77 -0.77 -0.01 117.00 117.62 2dat n LEU 108 Ca -0.14 1.24 -0.16 0.00 -0.03 0.00 0.00 56.01 56.93 2dat n LEU 108 Cb 0.49 -0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2dat n LEU 108 CO 0.31 -1.11 0.51 -0.61 -1.33 0.00 0.00 177.39 175.17 2dat h GLN 109 N 0.00 -0.73 -1.16 3.23 4.15 -1.56 -0.87 115.11 118.17 2dat h GLN 109 Ca 0.24 0.05 0.38 0.00 0.77 0.00 0.00 58.65 60.09 2dat h GLN 109 Cb 0.42 0.17 -0.14 0.00 0.21 0.00 0.00 27.48 28.14 2dat h GLN 109 CO -0.70 -0.49 0.71 1.03 -1.93 0.00 0.00 178.83 177.45 2dat h SER 110 N -0.76 0.35 -0.39 -0.69 0.87 -0.26 0.83 113.55 113.50 2dat h SER 110 Ca -0.02 0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 2dat h SER 110 Cb 0.74 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2dat h SER 110 CO -0.23 -0.17 -0.29 0.58 -0.53 0.00 0.00 176.83 176.19 2dat h VAL 111 N 0.18 1.28 -0.17 2.23 2.07 -0.33 -2.99 116.25 118.52 2dat h VAL 111 Ca 0.77 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2dat h VAL 111 Cb 2.16 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 2dat h VAL 111 CO -0.50 0.48 -0.10 0.15 0.02 0.00 0.00 177.57 177.62 2dat h PHE 112 N 0.70 0.28 0.89 1.57 3.04 0.17 -0.62 116.94 122.96 2dat h PHE 112 Ca 0.08 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 2dat h PHE 112 Cb 0.87 -0.08 0.01 0.00 2.56 0.00 0.00 35.95 39.31 2dat h PHE 112 CO 0.06 0.37 -0.43 0.87 -2.02 0.00 0.00 178.31 177.17 2dat h LYS 113 N 0.26 -1.15 -0.48 1.11 1.79 -1.07 -2.98 116.57 114.05 2dat h LYS 113 Ca 0.05 0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 2dat h LYS 113 Cb 0.34 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 2dat h LYS 113 CO 0.02 -0.76 0.21 1.03 -1.08 0.00 0.00 179.45 178.87 2dat h SER 114 N -1.21 0.65 -0.99 0.86 0.87 -1.50 -2.85 113.55 109.38 2dat h SER 114 Ca -0.12 -0.15 0.34 0.00 -1.23 0.00 0.00 61.79 60.63 2dat h SER 114 Cb 0.91 -0.17 -0.18 0.00 -0.44 0.00 0.00 62.40 62.52 2dat h SER 114 CO 0.20 0.62 0.28 0.00 -0.53 0.00 0.00 176.83 177.40 2dat h ALA 115 N 1.06 1.65 0.17 6.23 0.00 -1.10 0.90 119.26 128.17 2dat h ALA 115 Ca 0.16 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.39 2dat h ALA 115 Cb 0.16 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2dat h ALA 115 CO -0.02 -0.74 -0.25 0.00 0.00 0.00 0.00 179.25 178.24 2dat h ARG 116 N 0.02 -0.46 0.19 0.00 3.08 -1.34 -3.31 114.38 112.55 2dat h ARG 116 Ca 0.72 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.79 2dat h ARG 116 Cb 1.70 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.86 2dat h ARG 116 CO -0.84 -0.31 -0.09 1.96 -1.07 0.00 0.00 179.97 179.62 2dat h GLN 117 N -0.48 -0.24 -6.23 0.04 1.08 -0.53 -3.43 115.11 105.32 2dat h GLN 117 Ca 0.02 0.02 -0.57 0.00 -1.45 0.00 0.00 58.65 56.67 2dat h GLN 117 Cb 0.48 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2dat h GLN 117 CO -0.11 -0.16 1.24 0.45 -0.95 0.00 0.00 178.83 179.30 2dat s SER 118 N -5.02 6.13 0.00 1.46 0.15 0.27 -4.93 113.70 111.76 2dat s SER 118 Ca -0.04 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.44 2dat s SER 118 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2dat s SER 118 CO 0.11 -1.43 0.00 0.61 1.20 0.00 0.00 173.24 173.73 2dat n GLY 119 N 4.97 5.48 0.21 9.45 0.00 -1.26 -4.40 105.19 119.64 2dat n GLY 119 Ca 0.22 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.67 2dat n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dat h PRO 120 N 0.00 0.42 -1.39 1.61 0.13 -1.95 -3.46 132.00 127.36 2dat h PRO 120 Ca 0.00 -0.22 0.13 0.00 -0.87 0.00 0.00 66.00 65.04 2dat h PRO 120 Cb 0.00 0.01 -0.29 0.00 0.13 0.00 0.00 31.00 30.85 2dat h PRO 120 CO 0.00 0.79 0.53 -1.12 -0.23 0.00 0.00 178.00 177.96 2dat s SER 121 N -6.87 -0.35 -0.77 1.44 0.01 -1.26 -5.08 113.70 100.82 2dat s SER 121 Ca -0.06 0.59 -0.24 0.00 1.31 0.00 0.00 55.95 57.54 2dat s SER 121 Cb 0.12 1.01 -0.15 0.00 0.21 0.00 0.00 66.02 67.21 2dat s SER 121 CO 0.81 -0.10 2.40 -1.54 0.41 0.00 0.00 173.24 175.22 2dat n SER 122 N 3.13 1.54 0.00 2.44 3.41 -1.26 -5.18 113.62 117.71 2dat n SER 122 Ca -0.17 -1.20 0.06 0.00 -0.26 0.00 0.00 58.87 57.31 2dat n SER 122 Cb 0.57 -1.53 0.38 0.00 -0.26 0.00 0.00 64.21 63.37 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49