#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dat s SER 2 N 0.00 -0.19 0.16 1.61 1.04 -1.26 -5.12 113.70 109.94 2dat s SER 2 Ca 0.00 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2dat s SER 2 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2dat s SER 2 CO 0.00 -0.96 0.27 -0.94 0.98 0.00 0.00 173.24 172.59 2dat s SER 3 N -2.94 6.20 0.00 7.02 1.04 -1.26 -4.91 113.70 118.85 2dat s SER 3 Ca 0.12 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2dat s SER 3 Cb -0.02 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2dat s SER 3 CO 0.03 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dat n GLY 4 N -0.62 -0.63 0.37 7.32 0.00 -1.21 -4.91 105.19 105.50 2dat n GLY 4 Ca -0.07 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 1.54 -0.02 1.61 2.88 -1.26 -4.71 113.62 113.65 2dat n SER 5 Ca 0.00 0.26 -0.14 0.00 -1.33 0.00 0.00 58.87 57.66 2dat n SER 5 Cb 0.00 -0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 62.77 2dat n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dat h SER 6 N -0.72 -1.63 -5.00 -3.46 0.02 -1.95 -3.44 113.55 97.37 2dat h SER 6 Ca -0.30 0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 2dat h SER 6 Cb 1.15 0.65 -0.20 0.00 0.14 0.00 0.00 62.40 64.14 2dat h SER 6 CO -0.18 -0.46 -0.42 -0.83 -1.14 0.00 0.00 176.83 173.79 2dat s GLY 7 N -2.37 -0.01 0.38 -3.77 0.00 -1.26 -5.15 107.32 95.14 2dat s GLY 7 Ca -0.15 -0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.27 2dat s GLY 7 CO 0.62 -0.20 1.14 -0.45 0.00 0.00 0.00 173.10 174.22 2dat s SER 8 N -1.46 6.67 0.27 1.64 0.15 -1.26 -3.32 113.70 116.39 2dat s SER 8 Ca -0.13 2.29 -0.29 0.00 0.70 0.00 0.00 55.95 58.51 2dat s SER 8 Cb -0.06 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.54 2dat s SER 8 CO 0.02 -0.57 1.26 -2.16 1.20 0.00 0.00 173.24 172.99 2dat s PRO 9 N -2.20 4.44 0.18 5.44 0.04 -1.26 -4.92 135.00 136.71 2dat s PRO 9 Ca 0.55 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 2dat s PRO 9 Cb -0.30 -3.15 -0.15 0.00 0.04 0.00 0.00 34.50 30.94 2dat s PRO 9 CO 0.37 -0.11 0.48 0.09 0.04 0.00 0.00 177.00 177.87 2dat n ASN 10 N 1.60 -1.10 -4.75 6.66 4.13 -1.26 -4.90 115.26 115.64 2dat n ASN 10 Ca 0.02 1.02 -0.30 0.00 1.68 0.00 0.00 54.58 56.99 2dat n ASN 10 Cb 0.43 -0.86 0.11 0.00 -1.54 0.00 0.00 39.78 37.92 2dat n ASN 10 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dat s PRO 11 N -0.88 1.85 0.00 3.52 0.04 -1.26 -4.80 135.00 133.47 2dat s PRO 11 Ca 0.58 1.02 0.14 0.00 0.04 0.00 0.00 61.00 62.79 2dat s PRO 11 Cb -0.84 -1.86 0.68 0.00 0.04 0.00 0.00 34.50 32.51 2dat s PRO 11 CO 0.50 -1.89 1.42 -0.35 0.04 0.00 0.00 177.00 176.73 2dat n PRO 12 N -3.67 0.11 -0.05 0.56 -0.04 -1.26 -1.80 135.00 128.85 2dat n PRO 12 Ca 0.08 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2dat n PRO 12 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 2dat n PRO 12 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2dat n LYS 13 N -1.38 0.68 -0.06 0.54 3.00 -1.26 -4.04 118.16 115.64 2dat n LYS 13 Ca 0.05 0.20 -0.07 0.00 -0.00 0.00 0.00 58.31 58.49 2dat n LYS 13 Cb 0.14 -1.67 -0.05 0.00 0.00 0.00 0.00 35.03 33.45 2dat n LYS 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2dat h LEU 14 N 0.02 0.00 -0.95 3.14 7.12 -1.87 -3.06 115.31 119.72 2dat h LEU 14 Ca -0.43 -0.34 0.29 0.00 0.13 0.00 0.00 57.88 57.53 2dat h LEU 14 Cb 2.05 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 42.03 2dat h LEU 14 CO 0.04 0.79 0.37 0.74 -0.13 0.00 0.00 178.44 180.25 2dat h THR 15 N -1.00 0.25 0.47 1.05 2.02 -1.60 -0.86 112.91 113.24 2dat h THR 15 Ca -0.04 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2dat h THR 15 Cb 0.50 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2dat h THR 15 CO -0.02 0.04 -0.22 0.11 0.37 0.00 0.00 175.52 175.79 2dat h LYS 16 N 0.21 -0.60 -0.74 6.66 1.57 -1.71 -3.00 116.57 118.97 2dat h LYS 16 Ca 0.65 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.56 2dat h LYS 16 Cb 1.44 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.78 2dat h LYS 16 CO -0.67 -0.30 -0.38 0.94 -0.57 0.00 0.00 179.45 178.47 2dat n GLN 17 N -5.23 -0.26 0.03 3.15 -0.06 -0.36 0.49 117.38 115.14 2dat n GLN 17 Ca -0.10 1.13 -0.10 0.00 -2.00 0.00 0.00 57.00 55.92 2dat n GLN 17 Cb 0.30 -1.66 -0.04 0.00 -4.06 0.00 0.00 30.24 24.78 2dat n GLN 17 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2dat h MET 18 N 0.00 -0.30 -0.41 3.69 2.86 -1.53 -2.41 114.93 116.83 2dat h MET 18 Ca 0.18 0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.92 2dat h MET 18 Cb 0.36 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 2dat h MET 18 CO -0.71 -0.20 -0.08 -0.91 1.06 0.00 0.00 176.91 176.07 2dat h ASN 19 N -0.31 -0.33 -0.87 1.22 2.35 0.19 -1.15 115.58 116.68 2dat h ASN 19 Ca 0.08 0.12 0.23 0.00 -0.55 0.00 0.00 56.30 56.17 2dat h ASN 19 Cb 0.42 0.23 -0.14 0.00 0.05 0.00 0.00 38.32 38.88 2dat h ASN 19 CO -0.24 -0.11 0.23 0.00 -1.65 0.00 0.00 177.43 175.66 2dat h ALA 20 N 1.40 1.24 0.24 -0.83 0.00 -0.16 0.45 119.26 121.59 2dat h ALA 20 Ca 0.20 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2dat h ALA 20 Cb 0.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dat h ALA 20 CO -0.40 -0.45 -0.12 0.82 0.00 0.00 0.00 179.25 179.10 2dat h ILE 21 N 0.22 0.00 -0.18 0.00 2.04 -0.98 -3.13 117.51 115.47 2dat h ILE 21 Ca 0.54 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 66.32 2dat h ILE 21 Cb 1.07 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2dat h ILE 21 CO -0.64 0.00 -0.54 0.40 0.00 0.00 0.00 178.15 177.37 2dat h ILE 22 N -0.44 0.01 -0.69 -0.67 1.08 -0.99 -1.59 117.51 114.22 2dat h ILE 22 Ca -0.03 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.55 2dat h ILE 22 Cb 0.25 0.01 -0.12 0.00 -3.07 0.00 0.00 36.82 33.90 2dat h ILE 22 CO 0.06 0.00 -0.25 -0.67 -0.69 0.00 0.00 178.15 176.60 2dat n ASP 23 N -5.43 -0.40 -0.08 1.72 2.03 0.15 0.14 116.55 114.68 2dat n ASP 23 Ca -0.05 1.20 -0.10 0.00 0.52 0.00 0.00 54.79 56.36 2dat n ASP 23 Cb 0.37 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 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 1.18 0.92 5.18 2.02 -1.26 0.58 112.91 121.53 2dat h THR 24 Ca 0.26 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2dat h THR 24 Cb 0.44 1.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2dat h THR 24 CO -0.69 0.19 -0.48 0.58 0.37 0.00 0.00 175.52 175.48 2dat h VAL 25 N 0.28 0.00 -0.70 3.16 2.07 0.20 0.26 116.25 121.52 2dat h VAL 25 Ca 0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 2dat h VAL 25 Cb 0.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 2dat h VAL 25 CO -0.01 0.00 0.46 0.40 0.02 0.00 0.00 177.57 178.45 2dat h ILE 26 N -1.29 0.97 -1.31 4.57 2.04 -0.24 -1.84 117.51 120.41 2dat h ILE 26 Ca -0.13 -0.22 -0.68 0.00 1.00 0.00 0.00 64.86 64.84 2dat h ILE 26 Cb 1.00 0.26 -0.32 0.00 -0.74 0.00 0.00 36.82 37.02 2dat h ILE 26 CO 0.18 0.12 0.50 0.59 0.00 0.00 0.00 178.15 179.54 2dat n ASN 27 N -4.49 6.91 -4.69 1.72 3.02 0.19 -4.57 115.26 113.35 2dat n ASN 27 Ca 0.11 -3.79 -0.35 0.00 -0.03 0.00 0.00 54.58 50.52 2dat n ASN 27 Cb 0.29 -0.85 -0.09 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.84 3.30 0.07 3.10 5.04 0.06 -4.81 117.35 120.28 2dat s TYR 28 Ca 0.57 0.19 -0.16 0.00 -2.44 0.00 0.00 57.07 55.23 2dat s TYR 28 Cb 0.46 -1.99 -0.06 0.00 0.35 0.00 0.00 41.96 40.72 2dat s TYR 28 CO -0.14 0.34 0.51 -1.59 -1.34 0.00 0.00 175.55 173.32 2dat s LYS 29 N -0.17 4.04 -0.14 4.97 -2.85 -1.26 -4.04 119.74 120.27 2dat s LYS 29 Ca 0.08 0.55 -0.08 0.00 -1.00 0.00 0.00 55.97 55.52 2dat s LYS 29 Cb -0.12 -3.14 -0.06 0.00 -2.06 0.00 0.00 37.83 32.45 2dat s LYS 29 CO 0.01 0.61 -0.19 -3.47 0.10 0.00 0.00 175.35 172.41 2dat n ASP 30 N 1.46 1.08 0.00 0.03 2.03 -1.25 -4.90 116.55 115.00 2dat n ASP 30 Ca -0.10 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2dat n ASP 30 Cb 0.52 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2dat n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2dat n SER 31 N -3.69 0.00 -2.63 1.67 7.64 -1.26 -4.92 113.62 110.43 2dat n SER 31 Ca -0.28 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.28 2dat n SER 31 Cb 0.69 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.90 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 -1.86 5.72 0.00 6.43 3.41 -1.26 -4.91 113.62 121.16 2dat n SER 32 Ca 0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 2dat n SER 32 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -0.51 1.06 2.54 5.00 0.00 -1.26 -4.92 105.19 107.09 2dat n GLY 33 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -2.25 1.61 3.00 -1.26 -4.20 116.66 113.56 2dat n ARG 34 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2dat n ARG 34 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 32.46 31.28 2dat n ARG 34 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2dat s GLN 35 N 4.96 3.70 0.44 -0.14 -2.07 -1.26 -3.90 119.66 121.39 2dat s GLN 35 Ca 0.94 1.30 0.17 0.00 -1.82 0.00 0.00 55.36 55.95 2dat s GLN 35 Cb -1.13 -4.01 1.10 0.00 -1.09 0.00 0.00 33.01 27.88 2dat s GLN 35 CO 0.49 -1.41 1.92 -0.07 -1.32 0.00 0.00 175.29 174.91 2dat h LEU 36 N 11.89 0.34 -1.20 2.60 4.07 -1.86 -0.09 115.31 131.06 2dat h LEU 36 Ca -0.30 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.68 2dat h LEU 36 Cb 1.13 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2dat h LEU 36 CO 1.04 0.17 0.59 0.77 -1.08 0.00 0.00 178.44 179.94 2dat h SER 37 N 0.36 0.00 -0.19 -0.43 4.64 -1.85 -1.80 113.55 114.28 2dat h SER 37 Ca 0.36 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.73 2dat h SER 37 Cb 0.90 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.92 2dat h SER 37 CO -0.11 0.00 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.07 2dat h GLU 38 N 0.00 -0.46 0.00 4.77 5.08 -1.32 0.58 114.58 123.23 2dat h GLU 38 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dat h GLU 38 Cb 1.18 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2dat h GLU 38 CO 0.00 -0.31 0.00 1.33 -1.00 0.00 0.00 179.01 179.03 2dat n VAL 39 N -5.43 0.37 -0.88 3.13 0.24 -0.67 -1.53 118.33 113.56 2dat n VAL 39 Ca -0.04 0.09 0.08 0.00 -2.04 0.00 0.00 64.34 62.44 2dat n VAL 39 Cb 0.36 -0.90 0.19 0.00 -1.47 0.00 0.00 33.84 32.03 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 -1.15 0.53 -0.06 6.34 3.72 0.19 -4.70 117.46 122.32 2dat n PHE 40 Ca 0.07 -0.86 -0.04 0.00 -0.05 0.00 0.00 57.45 56.58 2dat n PHE 40 Cb 0.07 -0.22 -0.01 0.00 -0.94 0.00 0.00 39.48 38.38 2dat n PHE 40 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2dat h ILE 41 N 1.13 0.00 -2.33 4.37 1.08 -0.11 -3.12 117.51 118.52 2dat h ILE 41 Ca 0.00 -0.95 -0.52 0.00 -0.39 0.00 0.00 64.86 63.00 2dat h ILE 41 Cb 1.17 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 2dat h ILE 41 CO 0.12 0.00 -0.53 -1.10 -0.69 0.00 0.00 178.15 175.94 2dat s GLN 42 N -2.05 2.94 0.16 2.37 -0.21 -1.26 -4.19 119.66 117.41 2dat s GLN 42 Ca -0.11 -1.00 0.07 0.00 0.02 0.00 0.00 55.36 54.35 2dat s GLN 42 Cb 0.02 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 2dat s GLN 42 CO 0.17 0.42 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.09 2dat s LEU 43 N -3.65 2.45 -0.28 2.90 1.43 -1.26 -5.01 118.68 115.27 2dat s LEU 43 Ca 0.32 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 2dat s LEU 43 Cb -0.08 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 2dat s LEU 43 CO 0.25 -0.11 1.65 -2.16 0.23 0.00 0.00 176.35 176.21 2dat s PRO 44 N -2.97 3.62 0.42 1.29 0.04 -1.26 -4.95 135.00 131.19 2dat s PRO 44 Ca 0.15 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 2dat s PRO 44 Cb -0.04 -4.09 -0.15 0.00 0.04 0.00 0.00 34.50 30.26 2dat s PRO 44 CO 0.05 -1.51 0.18 0.43 0.04 0.00 0.00 177.00 176.19 2dat n SER 45 N 9.09 -2.47 0.14 6.66 7.64 -1.26 -4.47 113.62 128.95 2dat n SER 45 Ca 0.20 0.82 0.19 0.00 1.01 0.00 0.00 58.87 61.09 2dat n SER 45 Cb 0.46 -0.93 0.78 0.00 -1.01 0.00 0.00 64.21 63.50 2dat n SER 45 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2dat h ARG 46 N 0.39 0.00 0.25 1.43 2.43 -1.92 -1.91 114.38 115.05 2dat h ARG 46 Ca -0.38 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2dat h ARG 46 Cb 1.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2dat h ARG 46 CO 0.48 0.00 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.59 2dat h LYS 47 N 0.00 -0.33 0.35 0.20 1.63 -1.97 -2.39 116.57 114.07 2dat h LYS 47 Ca 0.15 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.96 2dat h LYS 47 Cb 0.87 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.56 2dat h LYS 47 CO -0.00 -0.01 -0.33 0.93 -3.45 0.00 0.00 179.45 176.59 2dat h GLU 48 N -0.97 -0.65 -3.20 1.90 4.39 -1.69 -3.35 114.58 111.01 2dat h GLU 48 Ca -0.03 0.04 -0.63 0.00 0.34 0.00 0.00 59.36 59.08 2dat h GLU 48 Cb 0.47 0.15 -0.41 0.00 -0.10 0.00 0.00 28.75 28.86 2dat h GLU 48 CO 0.06 -0.43 -0.56 -1.17 -1.16 0.00 0.00 179.01 175.74 2dat s LEU 49 N -8.09 4.72 0.11 1.33 2.96 -0.79 -4.93 118.68 113.98 2dat s LEU 49 Ca -0.12 -3.57 -0.14 0.00 -0.22 0.00 0.00 54.13 50.09 2dat s LEU 49 Cb 0.03 -1.66 -0.07 0.00 0.50 0.00 0.00 46.19 44.99 2dat s LEU 49 CO 0.39 -0.14 1.44 1.55 -1.32 0.00 0.00 176.35 178.27 2dat h PRO 50 N 5.80 0.77 -0.65 0.98 0.13 -1.58 -3.24 132.00 134.22 2dat h PRO 50 Ca 0.07 -0.41 0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2dat h PRO 50 Cb 0.80 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.83 2dat h PRO 50 CO 0.72 1.03 -0.07 1.05 -0.23 0.00 0.00 178.00 180.50 2dat h GLU 51 N 0.54 0.06 -0.89 0.86 4.11 -1.92 -0.32 114.58 117.02 2dat h GLU 51 Ca 0.05 -0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.68 2dat h GLU 51 Cb 0.89 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.96 2dat h GLU 51 CO 0.08 0.04 -0.11 -0.92 0.07 0.00 0.00 179.01 178.17 2dat h TYR 52 N 0.06 -0.27 -0.06 2.06 3.20 -1.96 1.17 116.97 121.17 2dat h TYR 52 Ca 0.33 0.07 -0.07 0.00 3.14 0.00 0.00 58.73 62.20 2dat h TYR 52 Cb 0.54 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2dat h TYR 52 CO -0.44 -0.37 -0.30 1.88 -1.64 0.00 0.00 178.16 177.29 2dat h TYR 53 N 0.02 0.12 0.76 -3.82 -1.99 -1.22 0.11 116.97 110.97 2dat h TYR 53 Ca 0.47 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 61.14 2dat h TYR 53 Cb 0.83 -0.03 0.01 0.00 2.00 0.00 0.00 36.73 39.53 2dat h TYR 53 CO -0.59 0.41 -0.37 0.93 -0.00 0.00 0.00 178.16 178.54 2dat h GLU 54 N 0.10 -0.99 -0.15 4.88 5.08 0.18 -3.25 114.58 120.44 2dat h GLU 54 Ca 0.01 0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 2dat h GLU 54 Cb 0.59 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2dat h GLU 54 CO 0.04 -0.66 -0.36 1.37 -1.00 0.00 0.00 179.01 178.40 2dat h LEU 55 N -1.05 0.57 -9.48 1.33 -0.00 -1.32 -3.43 115.31 101.93 2dat h LEU 55 Ca -0.10 -0.58 -0.53 0.00 -0.00 0.00 0.00 57.88 56.66 2dat h LEU 55 Cb 0.79 -0.17 0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2dat h LEU 55 CO 0.17 1.05 0.88 -0.63 -0.00 0.00 0.00 178.44 179.91 2dat s ILE 56 N -3.93 3.20 0.01 0.15 -1.09 0.39 -4.95 121.20 114.98 2dat s ILE 56 Ca -0.13 0.73 -0.14 0.00 -2.23 0.00 0.00 60.65 58.88 2dat s ILE 56 Cb 0.06 -3.47 -0.08 0.00 -1.58 0.00 0.00 42.46 37.39 2dat s ILE 56 CO 0.81 0.02 0.95 0.03 -1.23 0.00 0.00 174.94 175.52 2dat h ARG 57 N 7.61 -0.48 -3.08 2.79 3.08 -1.85 -3.43 114.38 119.04 2dat h ARG 57 Ca -0.41 0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.07 2dat h ARG 57 Cb 1.20 0.11 -0.40 0.00 0.08 0.00 0.00 29.97 30.96 2dat h ARG 57 CO 0.91 -0.32 -0.76 0.15 -1.07 0.00 0.00 179.97 178.87 2dat s LYS 58 N -3.63 0.95 -0.87 0.04 1.02 -1.26 -5.06 119.74 110.93 2dat s LYS 58 Ca -0.07 -1.57 -0.25 0.00 0.02 0.00 0.00 55.97 54.10 2dat s LYS 58 Cb 0.01 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 2dat s LYS 58 CO 0.22 -1.11 1.94 -1.25 -0.92 0.00 0.00 175.35 174.22 2dat s PRO 59 N 0.91 2.57 -0.15 -1.68 0.04 -1.26 -4.84 135.00 130.58 2dat s PRO 59 Ca 0.15 -0.18 -0.06 0.00 0.04 0.00 0.00 61.00 60.95 2dat s PRO 59 Cb -0.22 -4.98 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 2dat s PRO 59 CO -0.08 -3.30 0.05 0.54 0.04 0.00 0.00 177.00 174.25 2dat s VAL 60 N 9.95 4.66 0.07 -0.36 0.11 -1.26 -5.11 120.40 128.47 2dat s VAL 60 Ca 0.70 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 2dat s VAL 60 Cb -0.07 -3.05 -0.04 0.00 -1.53 0.00 0.00 36.38 31.69 2dat s VAL 60 CO 0.02 0.52 -0.08 1.51 -3.33 0.00 0.00 175.10 173.74 2dat s ASP 61 N -0.14 4.54 0.09 3.54 -4.77 -1.26 -4.57 116.67 114.10 2dat s ASP 61 Ca 0.06 -0.29 -0.18 0.00 -3.30 0.00 0.00 52.55 48.84 2dat s ASP 61 Cb -0.12 -0.95 -0.04 0.00 -1.09 0.00 0.00 42.92 40.72 2dat s ASP 61 CO 0.01 0.21 1.15 0.49 0.70 0.00 0.00 175.17 177.73 2dat n PHE 62 N 0.92 -0.25 -0.30 2.11 3.72 -1.18 -0.46 117.46 122.02 2dat n PHE 62 Ca -0.14 0.72 -0.06 0.00 -0.05 0.00 0.00 57.45 57.93 2dat n PHE 62 Cb 0.52 -0.52 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 2dat n PHE 62 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2dat n LYS 63 N -4.36 -0.28 0.07 -1.08 5.02 -1.26 -0.13 118.16 116.14 2dat n LYS 63 Ca 0.01 1.11 -0.15 0.00 -2.02 0.00 0.00 58.31 57.26 2dat n LYS 63 Cb 0.15 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 2dat n LYS 63 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2dat h LYS 64 N 0.00 -0.64 -1.25 1.97 1.63 -1.11 -0.14 116.57 117.04 2dat h LYS 64 Ca 0.15 0.04 0.43 0.00 -0.85 0.00 0.00 60.65 60.43 2dat h LYS 64 Cb 0.34 0.15 -0.14 0.00 -0.60 0.00 0.00 32.23 31.97 2dat h LYS 64 CO -0.70 -0.43 0.78 0.82 -3.45 0.00 0.00 179.45 176.48 2dat h ILE 65 N -0.66 0.11 -0.09 2.00 2.04 -0.09 1.32 117.51 122.13 2dat h ILE 65 Ca 0.02 -0.03 -0.21 0.00 1.00 0.00 0.00 64.86 65.64 2dat h ILE 65 Cb 0.71 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2dat h ILE 65 CO -0.34 0.02 -0.80 0.11 0.00 0.00 0.00 178.15 177.14 2dat h LYS 66 N 0.09 0.58 -0.46 2.37 6.56 -0.25 -3.28 116.57 122.17 2dat h LYS 66 Ca 0.82 -0.50 0.09 0.00 -1.06 0.00 0.00 60.65 60.01 2dat h LYS 66 Cb 2.47 0.11 -0.10 0.00 -0.57 0.00 0.00 32.23 34.14 2dat h LYS 66 CO -0.50 1.12 -0.20 1.49 -2.06 0.00 0.00 179.45 179.30 2dat h GLU 67 N 0.38 -0.10 0.26 3.15 4.81 0.28 -2.46 114.58 120.90 2dat h GLU 67 Ca -0.05 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2dat h GLU 67 Cb 1.41 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 2dat h GLU 67 CO 0.15 -0.07 -0.44 0.00 -0.73 0.00 0.00 179.01 177.93 2dat h ARG 68 N -0.11 -0.71 -0.92 1.92 3.08 -1.57 0.32 114.38 116.39 2dat h ARG 68 Ca 0.22 0.05 0.37 0.00 0.07 0.00 0.00 59.98 60.69 2dat h ARG 68 Cb 0.45 0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.49 2dat h ARG 68 CO -0.53 -0.48 0.45 -0.89 -1.07 0.00 0.00 179.97 177.45 2dat n ILE 69 N -4.99 -0.39 0.09 2.04 5.41 -0.96 0.21 119.36 120.77 2dat n ILE 69 Ca -0.09 1.89 -0.14 0.00 1.00 0.00 0.00 62.75 65.41 2dat n ILE 69 Cb 0.37 -3.03 -0.14 0.00 -0.71 0.00 0.00 39.64 36.13 2dat n ILE 69 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2dat h ARG 70 N 0.00 0.22 -0.88 0.38 3.08 -0.94 -3.23 114.38 113.00 2dat h ARG 70 Ca 0.76 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 60.38 2dat h ARG 70 Cb 1.97 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 32.13 2dat h ARG 70 CO -0.73 1.17 0.07 0.09 -1.07 0.00 0.00 179.97 179.50 2dat n ASN 71 N -3.49 2.94 -4.25 7.04 3.02 0.57 -4.87 115.26 116.22 2dat n ASN 71 Ca -0.08 -2.43 -0.37 0.00 -0.03 0.00 0.00 54.58 51.67 2dat n ASN 71 Cb 1.01 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.14 -1.07 0.05 3.10 8.25 0.27 -4.78 115.22 121.18 2dat n HIS 72 Ca 0.14 0.62 -0.19 0.00 -0.26 0.00 0.00 57.72 58.02 2dat n HIS 72 Cb 0.70 -1.82 -0.14 0.00 1.12 0.00 0.00 29.99 29.85 2dat n HIS 72 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2dat h LYS 73 N -0.91 0.29 -7.01 -0.41 1.79 -1.73 -3.47 116.57 105.12 2dat h LYS 73 Ca -0.55 -0.49 -0.53 0.00 -2.18 0.00 0.00 60.65 56.90 2dat h LYS 73 Cb 1.26 0.18 0.10 0.00 -1.58 0.00 0.00 32.23 32.20 2dat h LYS 73 CO 0.79 1.16 0.58 0.71 -1.08 0.00 0.00 179.45 181.61 2dat s TYR 74 N -2.59 2.60 -0.22 -1.35 2.02 -1.26 -4.96 117.35 111.59 2dat s TYR 74 Ca -0.14 1.42 0.10 0.00 -0.37 0.00 0.00 57.07 58.08 2dat s TYR 74 Cb 0.06 -3.65 -0.21 0.00 -0.40 0.00 0.00 41.96 37.76 2dat s TYR 74 CO 0.83 -2.29 -0.05 -2.13 -1.57 0.00 0.00 175.55 170.35 2dat n ARG 75 N -0.55 0.67 -3.48 -0.62 0.63 -1.26 -5.03 116.66 107.02 2dat n ARG 75 Ca 0.08 0.08 -0.11 0.00 -0.92 0.00 0.00 57.85 56.97 2dat n ARG 75 Cb 0.45 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 31.80 2dat n ARG 75 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2dat s SER 76 N -6.03 -0.48 0.24 6.15 0.01 -1.26 -5.05 113.70 107.28 2dat s SER 76 Ca -0.22 0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.04 2dat s SER 76 Cb 0.07 0.48 0.31 0.00 0.21 0.00 0.00 66.02 67.10 2dat s SER 76 CO 0.72 -0.73 1.58 0.25 0.41 0.00 0.00 173.24 175.47 2dat h LEU 77 N 2.19 -1.01 -0.99 2.44 6.46 -1.96 0.15 115.31 122.59 2dat h LEU 77 Ca -0.27 0.27 0.24 0.00 -0.12 0.00 0.00 57.88 58.00 2dat h LEU 77 Cb 1.25 0.60 -0.19 0.00 -0.73 0.00 0.00 40.66 41.59 2dat h LEU 77 CO 0.35 -0.29 -0.09 1.23 -0.62 0.00 0.00 178.44 179.01 2dat h GLY 78 N -0.03 1.02 0.30 3.75 0.00 -2.01 0.14 103.07 106.24 2dat h GLY 78 Ca 0.37 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.97 2dat h GLY 78 CO -0.89 -0.46 -0.33 -0.55 0.00 0.00 0.00 176.54 174.32 2dat h ASP 79 N 0.00 -0.98 -0.93 0.19 5.19 -1.11 -2.15 116.42 116.62 2dat h ASP 79 Ca 0.55 0.13 0.20 0.00 -0.62 0.00 0.00 57.03 57.28 2dat h ASP 79 Cb 1.01 0.39 -0.18 0.00 0.18 0.00 0.00 39.33 40.74 2dat h ASP 79 CO -0.97 -0.39 -0.17 0.25 -3.12 0.00 0.00 179.24 174.84 2dat h LEU 80 N -0.49 -0.76 -0.04 1.55 5.85 -0.73 0.18 115.31 120.87 2dat h LEU 80 Ca 0.06 0.28 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2dat h LEU 80 Cb 0.57 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 2dat h LEU 80 CO -0.26 -0.31 -0.51 -0.08 -0.34 0.00 0.00 178.44 176.94 2dat h GLU 81 N 0.01 -0.60 -0.72 1.25 4.81 -1.21 -0.80 114.58 117.31 2dat h GLU 81 Ca 0.47 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.96 2dat h GLU 81 Cb 0.79 0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.17 2dat h GLU 81 CO -0.94 -0.40 0.08 1.63 -0.73 0.00 0.00 179.01 178.65 2dat n LYS 82 N -5.45 -0.06 0.14 1.92 5.02 0.04 -0.42 118.16 119.35 2dat n LYS 82 Ca -0.06 1.06 -0.07 0.00 -2.02 0.00 0.00 58.31 57.22 2dat n LYS 82 Cb 0.39 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2dat n LYS 82 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2dat h ASP 83 N 0.00 -0.36 -1.00 4.39 1.82 -1.20 -2.52 116.42 117.56 2dat h ASP 83 Ca 0.47 0.01 0.19 0.00 -0.39 0.00 0.00 57.03 57.31 2dat h ASP 83 Cb 1.02 0.09 -0.19 0.00 0.68 0.00 0.00 39.33 40.94 2dat h ASP 83 CO -0.66 0.08 -0.26 0.58 -1.61 0.00 0.00 179.24 177.37 2dat h VAL 84 N -1.11 0.00 -0.17 2.25 2.07 0.61 1.43 116.25 121.33 2dat h VAL 84 Ca -0.04 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 2dat h VAL 84 Cb 0.33 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2dat h VAL 84 CO 0.07 0.00 -0.25 0.24 0.02 0.00 0.00 177.57 177.66 2dat h MET 85 N -0.00 0.30 -0.45 1.57 2.86 -0.93 -2.88 114.93 115.41 2dat h MET 85 Ca 0.46 -0.10 -0.10 0.00 -2.06 0.00 0.00 59.70 57.90 2dat h MET 85 Cb 0.71 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2dat h MET 85 CO -1.02 0.54 -0.12 1.25 1.06 0.00 0.00 176.91 178.61 2dat h LEU 86 N 0.27 0.89 -1.19 1.22 7.12 0.22 -1.64 115.31 122.21 2dat h LEU 86 Ca 0.04 -0.37 0.00 0.00 0.13 0.00 0.00 57.88 57.69 2dat h LEU 86 Cb 0.59 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 40.43 2dat h LEU 86 CO 0.04 1.05 0.49 0.25 -0.13 0.00 0.00 178.44 180.15 2dat h LEU 87 N 0.72 0.91 0.37 2.25 6.46 -0.42 -1.59 115.31 124.02 2dat h LEU 87 Ca 0.11 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2dat h LEU 87 Cb 0.67 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2dat h LEU 87 CO 0.05 0.68 -0.18 0.00 -0.62 0.00 0.00 178.44 178.37 2dat h HIS 89 N -1.06 0.01 -0.90 0.00 -0.00 -1.24 0.46 115.15 112.41 2dat h HIS 89 Ca -0.05 0.05 0.18 0.00 -0.00 0.00 0.00 60.37 60.55 2dat h HIS 89 Cb 0.47 0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.92 2dat h HIS 89 CO 0.02 -0.23 0.59 -0.91 -0.00 0.00 0.00 177.93 177.40 2dat h ASN 90 N 0.13 0.54 0.94 3.26 2.35 -1.36 -1.95 115.58 119.49 2dat h ASN 90 Ca 0.43 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 56.18 2dat h ASN 90 Cb 0.76 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.08 2dat h ASN 90 CO -0.65 0.24 -0.45 0.00 -1.65 0.00 0.00 177.43 174.92 2dat h ALA 91 N 1.61 -1.26 -0.70 -0.83 0.00 -0.05 -2.63 119.26 115.40 2dat h ALA 91 Ca 0.47 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 55.31 2dat h ALA 91 Cb 0.95 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2dat h ALA 91 CO -0.21 -1.18 0.51 1.96 0.00 0.00 0.00 179.25 180.33 2dat h GLN 92 N -1.31 0.00 0.68 0.00 4.20 -1.24 0.37 115.11 117.81 2dat h GLN 92 Ca -0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2dat h GLN 92 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2dat h GLN 92 CO 0.21 0.00 -0.35 1.15 -0.67 0.00 0.00 178.83 179.17 2dat h THR 93 N 0.00 0.29 0.02 -0.54 2.02 -1.01 -3.33 112.91 110.36 2dat h THR 93 Ca 0.33 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.51 2dat h THR 93 Cb 1.36 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2dat h THR 93 CO -0.00 0.00 -0.01 0.15 0.37 0.00 0.00 175.52 176.03 2dat h PHE 94 N -0.95 -0.03 -3.09 3.16 3.57 -1.16 -3.47 116.94 114.98 2dat h PHE 94 Ca -0.09 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.93 2dat h PHE 94 Cb 0.74 0.01 0.22 0.00 2.79 0.00 0.00 35.95 39.71 2dat h PHE 94 CO -0.04 0.60 -0.52 0.09 -2.23 0.00 0.00 178.31 176.20 2dat n ASN 95 N -4.71 -1.78 -4.94 0.41 3.02 0.12 -5.00 115.26 102.38 2dat n ASN 95 Ca -0.07 0.07 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 2dat n ASN 95 Cb 0.31 -1.17 0.01 0.00 -0.61 0.00 0.00 39.78 38.32 2dat n ASN 95 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dat s LEU 96 N -3.31 3.70 0.78 3.41 2.01 -1.26 -4.77 118.68 119.25 2dat s LEU 96 Ca 0.61 0.44 -0.11 0.00 0.01 0.00 0.00 54.13 55.07 2dat s LEU 96 Cb -0.19 -3.31 0.07 0.00 0.01 0.00 0.00 46.19 42.76 2dat s LEU 96 CO 0.65 -0.61 1.10 -1.61 1.01 0.00 0.00 176.35 176.89 2dat s GLU 97 N -4.55 2.11 -0.38 1.70 2.02 -1.26 -3.16 118.70 115.18 2dat s GLU 97 Ca 0.47 1.25 -0.05 0.00 0.02 0.00 0.00 54.97 56.66 2dat s GLU 97 Cb -0.10 -1.87 0.05 0.00 0.10 0.00 0.00 34.13 32.30 2dat s GLU 97 CO 0.39 -1.76 0.12 0.41 0.02 0.00 0.00 175.26 174.43 2dat n GLY 98 N -0.93 -0.33 3.91 -1.39 0.00 -1.26 -4.84 105.19 100.35 2dat n GLY 98 Ca 0.10 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2dat n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dat s SER 99 N -1.73 6.45 0.13 1.61 0.15 -1.19 -4.89 113.70 114.23 2dat s SER 99 Ca 0.17 0.59 -0.18 0.00 0.70 0.00 0.00 55.95 57.23 2dat s SER 99 Cb -0.10 -2.09 0.04 0.00 -1.71 0.00 0.00 66.02 62.16 2dat s SER 99 CO 0.21 -0.08 1.09 1.67 1.20 0.00 0.00 173.24 177.33 2dat n GLN 100 N -0.57 -0.25 -0.07 5.44 -0.06 -1.26 0.40 117.38 121.01 2dat n GLN 100 Ca -0.03 1.08 -0.12 0.00 -2.00 0.00 0.00 57.00 55.93 2dat n GLN 100 Cb 0.53 -1.59 -0.06 0.00 -4.06 0.00 0.00 30.24 25.07 2dat n GLN 100 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2dat h ILE 101 N 0.00 1.31 -0.74 1.69 2.04 -1.94 -3.29 117.51 116.58 2dat h ILE 101 Ca 0.17 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.90 2dat h ILE 101 Cb 0.35 1.67 -0.09 0.00 -0.74 0.00 0.00 36.82 38.00 2dat h ILE 101 CO -0.68 0.36 -0.44 0.00 0.00 0.00 0.00 178.15 177.39 2dat n TYR 102 N -4.55 -0.33 -0.34 1.37 9.36 0.16 0.17 117.16 123.01 2dat n TYR 102 Ca -0.05 0.93 0.17 0.00 3.32 0.00 0.00 57.90 62.27 2dat n TYR 102 Cb 0.33 -0.55 0.39 0.00 -0.63 0.00 0.00 39.34 38.89 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 0.58 -0.33 2.98 5.08 -1.43 0.27 114.58 121.73 2dat h GLU 103 Ca 0.12 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2dat h GLU 103 Cb 0.30 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2dat h GLU 103 CO -0.70 0.39 0.16 -0.44 -1.00 0.00 0.00 179.01 177.42 2dat h ASP 104 N 0.60 0.24 -0.78 1.42 3.32 0.16 -0.25 116.42 121.12 2dat h ASP 104 Ca 0.61 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.78 2dat h ASP 104 Cb 1.17 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 2dat h ASP 104 CO -0.41 0.18 0.42 0.77 -1.72 0.00 0.00 179.24 178.49 2dat h SER 105 N 0.34 0.58 0.35 6.45 4.64 -0.09 0.27 113.55 126.09 2dat h SER 105 Ca 0.14 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 2dat h SER 105 Cb 0.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2dat h SER 105 CO -0.10 0.33 -0.17 0.40 -0.87 0.00 0.00 176.83 176.42 2dat h ILE 106 N 0.71 0.60 -0.06 0.95 5.03 -1.16 -3.23 117.51 120.35 2dat h ILE 106 Ca 0.38 -0.61 0.04 0.00 -0.12 0.00 0.00 64.86 64.55 2dat h ILE 106 Cb 0.38 0.87 -0.06 0.00 -3.03 0.00 0.00 36.82 34.98 2dat h ILE 106 CO -0.26 0.10 -0.42 0.58 -0.68 0.00 0.00 178.15 177.47 2dat h VAL 107 N -0.84 0.15 -0.80 1.67 2.07 -0.78 -2.18 116.25 115.54 2dat h VAL 107 Ca -0.05 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.61 2dat h VAL 107 Cb 0.53 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 30.31 2dat h VAL 107 CO 0.08 0.00 -0.28 0.18 0.02 0.00 0.00 177.57 177.57 2dat n LEU 108 N -5.44 -0.45 -0.07 2.57 4.77 0.06 0.11 117.00 118.55 2dat n LEU 108 Ca -0.05 1.39 -0.12 0.00 -0.03 0.00 0.00 56.01 57.20 2dat n LEU 108 Cb 0.37 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2dat n LEU 108 CO 0.14 -1.28 0.55 1.56 -1.33 0.00 0.00 177.39 177.03 2dat h GLN 109 N 0.00 -0.43 -1.14 3.23 4.20 -1.41 0.25 115.11 119.82 2dat h GLN 109 Ca 0.31 0.03 0.32 0.00 0.06 0.00 0.00 58.65 59.37 2dat h GLN 109 Cb 0.51 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 2dat h GLN 109 CO -0.81 -0.29 0.79 1.03 -0.67 0.00 0.00 178.83 178.89 2dat h SER 110 N -0.45 0.16 0.09 1.46 0.87 -0.29 -0.05 113.55 115.35 2dat h SER 110 Ca 0.09 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2dat h SER 110 Cb 0.62 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2dat h SER 110 CO -0.50 0.02 -0.04 0.58 -0.53 0.00 0.00 176.83 176.36 2dat h VAL 111 N 0.14 1.15 -0.13 2.23 2.07 -0.08 -2.33 116.25 119.30 2dat h VAL 111 Ca 0.58 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.87 2dat h VAL 111 Cb 2.02 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 33.65 2dat h VAL 111 CO -0.12 0.29 -0.27 0.15 0.02 0.00 0.00 177.57 177.64 2dat h PHE 112 N -0.75 -0.72 -0.49 1.57 3.57 0.41 0.77 116.94 121.30 2dat h PHE 112 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2dat h PHE 112 Cb 0.57 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 2dat h PHE 112 CO 0.11 -0.35 0.24 0.87 -2.23 0.00 0.00 178.31 176.95 2dat h LYS 113 N -0.34 0.45 -0.70 1.11 1.57 -1.38 -1.51 116.57 115.77 2dat h LYS 113 Ca 0.10 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2dat h LYS 113 Cb 0.49 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2dat h LYS 113 CO -0.32 0.30 0.46 1.03 -0.57 0.00 0.00 179.45 180.35 2dat h SER 114 N 0.46 0.75 0.19 0.86 0.87 -0.80 -2.76 113.55 113.13 2dat h SER 114 Ca 0.22 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2dat h SER 114 Cb 0.14 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2dat h SER 114 CO -0.16 0.53 -0.09 0.00 -0.53 0.00 0.00 176.83 176.57 2dat h ALA 115 N 1.58 -0.26 -0.59 6.23 0.00 0.09 -1.13 119.26 125.18 2dat h ALA 115 Ca 0.27 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dat h ALA 115 Cb 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2dat h ALA 115 CO -0.07 -0.51 -0.53 -0.09 0.00 0.00 0.00 179.25 178.05 2dat h ARG 116 N -0.53 -0.21 0.58 0.00 2.43 -1.04 -2.24 114.38 113.37 2dat h ARG 116 Ca -0.03 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2dat h ARG 116 Cb 0.40 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2dat h ARG 116 CO 0.04 -0.14 -0.29 1.96 -1.51 0.00 0.00 179.97 180.03 2dat h GLN 117 N -0.22 -0.77 -6.03 0.20 4.20 -1.58 -3.42 115.11 107.49 2dat h GLN 117 Ca 0.10 0.05 -0.74 0.00 0.06 0.00 0.00 58.65 58.12 2dat h GLN 117 Cb 0.48 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 2dat h GLN 117 CO -0.67 -0.51 1.20 0.45 -0.67 0.00 0.00 178.83 178.62 2dat n SER 118 N -5.44 1.63 0.00 1.46 2.88 -0.43 -3.45 113.62 110.28 2dat n SER 118 Ca -0.13 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2dat n SER 118 Cb 0.33 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 6.09 0.30 0.18 0.46 0.00 -1.26 -4.87 105.19 106.08 2dat n GLY 119 Ca 0.42 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -6.48 1.61 0.13 -1.88 -3.45 132.00 121.94 2dat h PRO 120 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 2dat h PRO 120 Cb 0.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 31.29 2dat h PRO 120 CO 0.00 0.43 -0.32 0.45 -0.23 0.00 0.00 178.00 178.33 2dat n SER 121 N -3.85 -0.68 0.05 1.44 2.88 -1.22 -4.94 113.62 107.29 2dat n SER 121 Ca -0.01 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2dat n SER 121 Cb 0.48 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2dat n SER 121 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dat n SER 122 N 0.70 0.53 -0.42 -3.46 2.88 -1.26 -5.03 113.62 107.55 2dat n SER 122 Ca 0.11 0.14 0.14 0.00 -1.33 0.00 0.00 58.87 57.93 2dat n SER 122 Cb 0.44 -0.11 0.58 0.00 -0.75 0.00 0.00 64.21 64.37 2dat n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42