#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dcm s TYR 4 N 0.00 0.34 -0.07 -0.67 1.13 -1.26 -5.00 117.35 111.82 1dcm s TYR 4 Ca 0.00 -0.78 -0.00 0.00 -1.41 0.00 0.00 57.07 54.87 1dcm s TYR 4 Cb 0.00 -0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 1dcm s TYR 4 CO 0.00 -0.40 -0.03 0.99 -2.51 0.00 0.00 175.55 173.61 1dcm s THR 5 N -3.40 4.07 -0.32 -3.49 2.01 -0.63 -4.33 115.64 109.55 1dcm s THR 5 Ca 0.02 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1dcm s THR 5 Cb 0.04 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1dcm s THR 5 CO -0.08 0.58 0.21 -0.69 -0.69 0.00 0.00 174.62 173.94 1dcm s VAL 6 N -0.88 5.13 -0.30 3.82 1.01 0.27 -0.16 120.40 129.29 1dcm s VAL 6 Ca 0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 1dcm s VAL 6 Cb -0.11 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1dcm s VAL 6 CO 0.03 0.07 0.26 -1.00 0.00 0.00 0.00 175.10 174.46 1dcm s HIS 7 N 1.71 3.23 0.28 5.22 3.76 0.10 -1.69 115.29 127.89 1dcm s HIS 7 Ca 0.06 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1dcm s HIS 7 Cb -0.17 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 1dcm s HIS 7 CO 0.10 -0.26 0.44 0.42 -0.85 0.00 0.00 174.74 174.59 1dcm s ILE 8 N 1.85 5.19 -0.27 0.60 1.01 -0.85 -0.46 121.20 128.27 1dcm s ILE 8 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1dcm s ILE 8 Cb -0.16 -3.85 0.16 0.00 0.01 0.00 0.00 42.46 38.61 1dcm s ILE 8 CO 0.11 -0.42 0.46 -0.69 0.00 0.00 0.00 174.94 174.39 1dcm s VAL 9 N -2.12 -0.74 0.01 2.92 1.01 -1.13 -2.82 120.40 117.54 1dcm s VAL 9 Ca 0.37 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1dcm s VAL 9 Cb -0.09 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1dcm s VAL 9 CO 0.32 -0.14 -0.04 -1.81 0.00 0.00 0.00 175.10 173.44 1dcm s ASP 10 N 2.64 0.38 -0.09 3.32 -0.00 -1.25 -3.57 116.67 118.10 1dcm s ASP 10 Ca 0.13 -0.20 0.03 0.00 -0.00 0.00 0.00 52.55 52.51 1dcm s ASP 10 Cb -0.14 0.00 0.23 0.00 -0.00 0.00 0.00 42.92 43.01 1dcm s ASP 10 CO -0.23 -0.06 1.00 0.47 -0.00 0.00 0.00 175.17 176.35 1dcm n ASP 11 N 2.53 2.66 -4.56 0.27 8.00 -1.26 -4.50 116.55 119.68 1dcm n ASP 11 Ca -0.16 -2.34 -0.30 0.00 0.71 0.00 0.00 54.79 52.70 1dcm n ASP 11 Cb 0.58 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 1dcm n ASP 11 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1dcm s GLU 12 N -1.35 2.10 0.57 -1.24 2.02 -1.26 -5.08 118.70 114.46 1dcm s GLU 12 Ca 0.16 -1.03 -0.21 0.00 0.02 0.00 0.00 54.97 53.92 1dcm s GLU 12 Cb 0.13 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1dcm s GLU 12 CO 0.04 0.51 1.31 0.39 0.02 0.00 0.00 175.26 177.53 1dcm n GLU 13 N 0.77 1.51 0.00 1.61 1.02 -1.26 -4.96 120.64 119.32 1dcm n GLU 13 Ca -0.14 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1dcm n GLU 13 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 1dcm n GLU 13 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1dcm n PRO 14 N -1.19 0.00 -1.02 3.49 -0.01 -1.26 -5.00 135.00 130.01 1dcm n PRO 14 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.61 1dcm n PRO 14 Cb 0.45 -0.22 0.00 0.00 -0.01 0.00 0.00 33.50 33.73 1dcm n PRO 14 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1dcm n VAL 15 N 0.00 -3.65 -0.34 -1.45 0.31 -1.26 -4.74 118.33 107.21 1dcm n VAL 15 Ca 0.00 0.47 0.36 0.00 -0.01 0.00 0.00 64.34 65.16 1dcm n VAL 15 Cb 0.00 -3.10 0.65 0.00 -0.91 0.00 0.00 33.84 30.48 1dcm n VAL 15 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1dcm h ARG 16 N 0.61 0.00 -2.73 5.55 1.12 -2.05 -3.26 114.38 113.63 1dcm h ARG 16 Ca 0.00 0.00 -0.61 0.00 -1.11 0.00 0.00 59.98 58.26 1dcm h ARG 16 Cb 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 29.97 29.56 1dcm h ARG 16 CO 0.00 0.00 -0.74 1.17 -3.11 0.00 0.00 179.97 177.29 1dcm n LYS 17 N -3.67 1.22 -3.41 0.20 0.00 -1.26 -4.77 118.16 106.47 1dcm n LYS 17 Ca 0.28 -3.97 0.01 0.00 0.00 0.00 0.00 58.31 54.63 1dcm n LYS 17 Cb 1.51 -2.02 -0.04 0.00 0.00 0.00 0.00 35.03 34.48 1dcm n LYS 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1dcm s SER 18 N -0.95 -0.62 0.00 3.14 0.15 -1.23 -5.05 113.70 109.13 1dcm s SER 18 Ca 0.29 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.77 1dcm s SER 18 Cb 0.01 1.70 0.00 0.00 -1.71 0.00 0.00 66.02 66.02 1dcm s SER 18 CO -0.17 -0.12 0.00 -0.11 1.20 0.00 0.00 173.24 174.04 1dcm n LEU 19 N 5.03 0.00 0.11 3.45 7.94 -1.26 -3.75 117.00 128.51 1dcm n LEU 19 Ca -0.09 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.66 1dcm n LEU 19 Cb 0.52 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.40 1dcm n LEU 19 CO -0.05 0.00 0.58 0.00 -1.11 0.00 0.00 177.39 176.81 1dcm h ALA 20 N -0.42 -0.76 -0.01 1.96 0.00 -1.97 -1.35 119.26 116.70 1dcm h ALA 20 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dcm h ALA 20 Cb 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1dcm h ALA 20 CO 0.00 -1.00 0.02 0.35 0.00 0.00 0.00 179.25 178.62 1dcm h PHE 21 N -0.65 0.00 0.35 0.00 -0.00 -1.86 -0.92 116.94 113.85 1dcm h PHE 21 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.98 1dcm h PHE 21 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.64 1dcm h PHE 21 CO -0.39 0.00 -0.17 1.98 -0.00 0.00 0.00 178.31 179.73 1dcm h MET 22 N 0.00 -0.46 -1.01 1.11 4.05 -1.72 -2.07 114.93 114.84 1dcm h MET 22 Ca 0.01 0.03 0.23 0.00 -0.28 0.00 0.00 59.70 59.69 1dcm h MET 22 Cb 0.04 0.10 -0.11 0.00 -0.80 0.00 0.00 31.60 30.83 1dcm h MET 22 CO -0.00 -0.17 0.62 -0.07 0.23 0.00 0.00 176.91 177.51 1dcm h LEU 23 N -1.02 0.65 -0.26 3.39 3.38 -0.46 0.17 115.31 121.16 1dcm h LEU 23 Ca -0.05 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1dcm h LEU 23 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1dcm h LEU 23 CO 0.08 0.16 -0.68 0.00 0.09 0.00 0.00 178.44 178.09 1dcm h THR 24 N 0.59 1.25 0.00 0.22 1.03 -1.21 -1.68 112.91 113.12 1dcm h THR 24 Ca 0.61 -2.53 -0.01 0.00 -0.01 0.00 0.00 66.41 64.47 1dcm h THR 24 Cb 1.18 2.46 -0.00 0.00 -1.07 0.00 0.00 68.15 70.71 1dcm h THR 24 CO -0.39 0.66 -0.04 0.24 -0.01 0.00 0.00 175.52 175.98 1dcm h MET 25 N 0.00 0.00 -0.92 0.00 2.86 0.06 -2.28 114.93 114.66 1dcm h MET 25 Ca -0.01 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.04 1dcm h MET 25 Cb 1.40 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.77 1dcm h MET 25 CO 0.09 0.04 0.56 0.09 1.06 0.00 0.00 176.91 178.74 1dcm n ASN 26 N -3.20 6.08 -2.24 1.22 3.02 -0.85 -4.93 115.26 114.36 1dcm n ASN 26 Ca -0.01 -3.75 -0.19 0.00 -0.03 0.00 0.00 54.58 50.60 1dcm n ASN 26 Cb 0.25 -0.85 -0.02 0.00 -0.61 0.00 0.00 39.78 38.55 1dcm n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dcm n GLY 27 N -0.96 -0.05 3.89 7.41 0.00 -0.86 -5.00 105.19 109.62 1dcm n GLY 27 Ca 0.58 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 1dcm n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dcm s PHE 28 N -2.90 3.58 -0.63 1.61 0.40 -0.67 -5.02 117.98 114.35 1dcm s PHE 28 Ca 0.00 0.47 -0.27 0.00 -0.60 0.00 0.00 56.93 56.52 1dcm s PHE 28 Cb 0.00 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1dcm s PHE 28 CO 0.00 0.70 1.20 0.00 0.70 0.00 0.00 175.22 177.82 1dcm s ALA 29 N -1.15 2.93 -0.08 5.36 0.00 -1.26 -4.27 121.76 123.29 1dcm s ALA 29 Ca 0.20 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1dcm s ALA 29 Cb -0.12 -4.09 -0.03 0.00 0.00 0.00 0.00 23.12 18.88 1dcm s ALA 29 CO 0.10 -2.86 -0.06 0.08 0.00 0.00 0.00 175.76 173.02 1dcm s VAL 30 N 5.14 3.77 -0.19 0.00 1.01 -1.26 0.97 120.40 129.83 1dcm s VAL 30 Ca 0.39 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1dcm s VAL 30 Cb -0.08 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1dcm s VAL 30 CO 0.21 0.59 0.06 -0.75 0.00 0.00 0.00 175.10 175.21 1dcm s LYS 31 N -0.68 0.46 0.62 2.72 2.20 -0.68 -4.95 119.74 119.43 1dcm s LYS 31 Ca 0.10 -0.35 -0.08 0.00 -0.36 0.00 0.00 55.97 55.28 1dcm s LYS 31 Cb -0.11 -2.00 -0.00 0.00 -1.51 0.00 0.00 37.83 34.21 1dcm s LYS 31 CO 0.02 -0.67 0.97 1.41 -0.36 0.00 0.00 175.35 176.71 1dcm s MET 32 N 1.94 3.11 -0.07 4.03 -2.45 -1.26 -2.01 119.30 122.60 1dcm s MET 32 Ca 0.01 0.31 -0.03 0.00 -1.25 0.00 0.00 55.69 54.72 1dcm s MET 32 Cb -0.17 -2.17 0.04 0.00 1.25 0.00 0.00 34.83 33.78 1dcm s MET 32 CO -0.10 -0.71 0.15 -1.01 1.05 0.00 0.00 175.02 174.40 1dcm s HIS 33 N -3.11 -0.17 0.35 4.11 0.09 -1.13 -4.87 115.29 110.57 1dcm s HIS 33 Ca 0.54 0.50 0.10 0.00 -0.00 0.00 0.00 55.06 56.20 1dcm s HIS 33 Cb -0.11 -0.08 0.85 0.00 -0.00 0.00 0.00 32.58 33.24 1dcm s HIS 33 CO 0.49 -0.17 1.82 1.96 -0.00 0.00 0.00 174.74 178.83 1dcm h GLN 34 N 7.28 0.63 -2.20 1.40 4.20 -1.90 -3.31 115.11 121.20 1dcm h GLN 34 Ca -0.42 -0.04 0.18 0.00 0.06 0.00 0.00 58.65 58.43 1dcm h GLN 34 Cb 1.14 -0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.67 1dcm h GLN 34 CO 0.41 0.42 0.53 0.45 -0.67 0.00 0.00 178.83 179.98 1dcm s SER 35 N -5.54 -0.21 0.23 1.46 0.15 -1.26 -4.52 113.70 104.01 1dcm s SER 35 Ca -0.10 -0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.14 1dcm s SER 35 Cb 0.24 0.42 0.29 0.00 -1.71 0.00 0.00 66.02 65.25 1dcm s SER 35 CO 0.80 -0.75 1.58 0.00 1.20 0.00 0.00 173.24 176.06 1dcm h ALA 36 N 2.00 0.34 -0.64 5.45 0.00 -1.92 0.12 119.26 124.60 1dcm h ALA 36 Ca -0.24 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dcm h ALA 36 Cb 1.23 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 1dcm h ALA 36 CO 0.27 -0.51 0.34 1.49 0.00 0.00 0.00 179.25 180.84 1dcm h GLU 37 N -0.04 0.89 -0.27 0.00 4.57 -1.97 0.46 114.58 118.23 1dcm h GLU 37 Ca 0.36 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1dcm h GLU 37 Cb 0.60 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1dcm h GLU 37 CO -0.86 0.67 0.10 0.00 -1.18 0.00 0.00 179.01 177.74 1dcm h ALA 38 N 1.48 0.35 -0.37 2.92 0.00 -1.14 0.06 119.26 122.54 1dcm h ALA 38 Ca 0.23 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1dcm h ALA 38 Cb 0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1dcm h ALA 38 CO -0.04 -0.06 -0.24 0.35 0.00 0.00 0.00 179.25 179.27 1dcm h PHE 39 N 0.28 0.96 -0.59 0.00 3.57 -0.73 -2.67 116.94 117.75 1dcm h PHE 39 Ca 0.09 -0.26 0.12 0.00 3.53 0.00 0.00 57.97 61.46 1dcm h PHE 39 Cb 0.18 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1dcm h PHE 39 CO -0.01 1.02 0.40 -0.07 -2.23 0.00 0.00 178.31 177.43 1dcm h LEU 40 N 0.62 0.25 -6.71 0.59 3.38 0.09 0.90 115.31 114.43 1dcm h LEU 40 Ca 0.08 0.01 -0.77 0.00 0.09 0.00 0.00 57.88 57.29 1dcm h LEU 40 Cb 0.80 -0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.21 1dcm h LEU 40 CO 0.07 0.14 0.53 0.00 0.09 0.00 0.00 178.44 179.27 1dcm n ALA 41 N -2.56 5.04 0.00 1.53 0.00 -0.01 -3.88 120.51 120.64 1dcm n ALA 41 Ca 0.10 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 48.75 1dcm n ALA 41 Cb 0.47 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1dcm n ALA 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dcm n PHE 42 N 1.11 0.00 -0.31 0.00 7.35 -1.02 -4.85 117.46 119.73 1dcm n PHE 42 Ca 0.28 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 57.12 1dcm n PHE 42 Cb 0.34 0.00 0.33 0.00 0.35 0.00 0.00 39.48 40.50 1dcm n PHE 42 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dcm h ALA 43 N 0.00 1.52 0.00 3.13 0.00 -0.94 0.31 119.26 123.28 1dcm h ALA 43 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1dcm h ALA 43 Cb 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dcm h ALA 43 CO 0.00 -0.35 -0.03 -1.35 0.00 0.00 0.00 179.25 177.51 1dcm h PRO 44 N 0.41 0.00 -0.69 0.00 0.11 -1.86 -2.09 132.00 127.88 1dcm h PRO 44 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1dcm h PRO 44 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dcm h PRO 44 CO -0.53 0.03 0.00 -0.25 -0.21 0.00 0.00 178.00 177.04 1dcm n ASP 45 N -3.74 4.34 -4.79 -2.05 8.00 0.11 -4.94 116.55 113.48 1dcm n ASP 45 Ca -0.03 -2.64 -0.36 0.00 0.71 0.00 0.00 54.79 52.47 1dcm n ASP 45 Cb 0.13 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 1dcm n ASP 45 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dcm s VAL 46 N -2.22 5.37 -0.06 2.53 1.01 -0.79 -5.09 120.40 121.16 1dcm s VAL 46 Ca 0.39 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1dcm s VAL 46 Cb 0.29 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1dcm s VAL 46 CO 0.12 0.51 -0.06 -0.13 0.00 0.00 0.00 175.10 175.54 1dcm s ARG 47 N -0.27 1.07 -1.07 2.72 3.00 -1.26 -4.88 118.95 118.25 1dcm s ARG 47 Ca 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 55.73 55.64 1dcm s ARG 47 Cb -0.12 -1.05 -0.06 0.00 0.00 0.00 0.00 34.95 33.72 1dcm s ARG 47 CO 0.03 -0.09 0.92 0.09 0.00 0.00 0.00 175.30 176.25 1dcm n ASN 48 N 4.18 -6.03 -4.17 0.23 4.13 -1.26 -4.79 115.26 107.54 1dcm n ASN 48 Ca -0.22 -0.72 -0.10 0.00 1.68 0.00 0.00 54.58 55.22 1dcm n ASN 48 Cb 0.51 -5.09 -0.10 0.00 -1.54 0.00 0.00 39.78 33.55 1dcm n ASN 48 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1dcm s GLY 49 N -3.51 0.86 0.01 7.41 0.00 -1.26 -1.61 107.32 109.23 1dcm s GLY 49 Ca 0.41 -1.41 0.08 0.00 0.00 0.00 0.00 44.72 43.80 1dcm s GLY 49 CO 0.75 -1.43 -0.24 0.14 0.00 0.00 0.00 173.10 172.32 1dcm s VAL 50 N -3.78 2.27 -0.20 1.40 1.01 0.77 -4.44 120.40 117.43 1dcm s VAL 50 Ca 0.16 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 1dcm s VAL 50 Cb 0.06 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1dcm s VAL 50 CO -0.02 0.46 0.01 -0.22 0.00 0.00 0.00 175.10 175.33 1dcm s LEU 51 N -1.00 3.39 -0.29 3.92 2.96 -0.88 0.00 118.68 126.77 1dcm s LEU 51 Ca 0.11 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1dcm s LEU 51 Cb -0.10 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.81 1dcm s LEU 51 CO 0.01 0.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 1dcm s VAL 52 N 0.85 1.96 0.00 1.68 1.01 0.39 -0.66 120.40 125.64 1dcm s VAL 52 Ca 0.01 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1dcm s VAL 52 Cb -0.14 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1dcm s VAL 52 CO 0.02 -0.33 0.00 0.35 0.00 0.00 0.00 175.10 175.14 1dcm n THR 53 N 4.45 0.00 0.00 3.92 -2.24 -1.12 -2.82 114.28 116.47 1dcm n THR 53 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1dcm n THR 53 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1dcm n THR 53 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dcm n ASP 54 N 0.00 0.00 -3.67 3.42 4.64 -1.23 -4.33 116.55 115.37 1dcm n ASP 54 Ca 0.00 0.00 -0.17 0.00 -1.38 0.00 0.00 54.79 53.24 1dcm n ASP 54 Cb 0.00 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 39.92 1dcm n ASP 54 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1dcm s LEU 55 N 0.00 0.03 -0.01 -2.67 1.43 -1.26 -4.13 118.68 112.07 1dcm s LEU 55 Ca 0.00 0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1dcm s LEU 55 Cb 0.00 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.40 1dcm s LEU 55 CO 0.00 -0.24 0.52 0.08 0.23 0.00 0.00 176.35 176.95 1dcm h ARG 56 N 8.29 -0.18 -6.13 1.70 -0.00 -1.94 -3.41 114.38 112.70 1dcm h ARG 56 Ca -0.15 0.01 -0.76 0.00 -0.00 0.00 0.00 59.98 59.08 1dcm h ARG 56 Cb 1.12 0.04 0.03 0.00 -0.00 0.00 0.00 29.97 31.16 1dcm h ARG 56 CO 0.17 -0.12 0.60 0.00 -0.00 0.00 0.00 179.97 180.62 1dcm n MET 57 N -2.96 0.74 0.15 0.08 0.00 -1.26 -4.85 117.12 109.01 1dcm n MET 57 Ca -0.02 0.27 0.11 0.00 0.00 0.00 0.00 57.70 58.05 1dcm n MET 57 Cb 0.07 -1.87 0.54 0.00 0.00 0.00 0.00 33.22 31.96 1dcm n MET 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1dcm n PRO 58 N 3.70 0.15 -0.05 3.17 -0.04 -1.26 -2.61 135.00 138.05 1dcm n PRO 58 Ca 0.24 0.57 -0.08 0.00 -0.04 0.00 0.00 63.50 64.19 1dcm n PRO 58 Cb 0.10 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1dcm n PRO 58 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1dcm h ASP 59 N 0.00 0.03 -3.03 3.54 3.32 -1.99 -3.32 116.42 114.97 1dcm h ASP 59 Ca 0.00 0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.48 1dcm h ASP 59 Cb 0.10 0.04 -0.40 0.00 0.22 0.00 0.00 39.33 39.29 1dcm h ASP 59 CO 0.00 0.05 -0.77 -0.32 -1.72 0.00 0.00 179.24 176.48 1dcm s MET 60 N -6.18 1.42 0.60 3.56 -2.45 -1.07 -5.12 119.30 110.05 1dcm s MET 60 Ca -0.13 -2.32 -0.07 0.00 -1.25 0.00 0.00 55.69 51.92 1dcm s MET 60 Cb 0.10 -2.28 0.00 0.00 1.25 0.00 0.00 34.83 33.91 1dcm s MET 60 CO 0.69 -1.26 0.93 -1.54 1.05 0.00 0.00 175.02 174.89 1dcm s SER 61 N -0.12 5.63 0.27 1.11 1.04 -1.24 -4.79 113.70 115.59 1dcm s SER 61 Ca 0.24 0.81 0.25 0.00 0.48 0.00 0.00 55.95 57.73 1dcm s SER 61 Cb -0.12 -1.80 0.94 0.00 0.10 0.00 0.00 66.02 65.15 1dcm s SER 61 CO -0.09 -1.07 1.74 1.23 0.98 0.00 0.00 173.24 176.03 1dcm h GLY 62 N -0.22 0.00 1.44 7.32 0.00 -1.92 -2.78 103.07 106.91 1dcm h GLY 62 Ca -0.45 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 1dcm h GLY 62 CO 0.61 0.00 -0.54 -2.08 0.00 0.00 0.00 176.54 174.53 1dcm h VAL 63 N 0.00 1.32 0.00 4.60 2.07 -1.95 -2.49 116.25 119.80 1dcm h VAL 63 Ca 0.00 -1.78 -0.19 0.00 0.82 0.00 0.00 66.70 65.56 1dcm h VAL 63 Cb 0.49 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1dcm h VAL 63 CO 0.00 0.56 -0.85 -0.33 0.02 0.00 0.00 177.57 176.96 1dcm h GLU 64 N 0.46 0.11 0.00 1.57 5.08 -1.90 -0.74 114.58 119.17 1dcm h GLU 64 Ca 0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1dcm h GLU 64 Cb 1.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1dcm h GLU 64 CO 0.10 0.90 -0.35 1.25 -1.00 0.00 0.00 179.01 179.91 1dcm h LEU 65 N 0.06 0.00 0.11 1.33 5.85 -1.46 -0.23 115.31 120.97 1dcm h LEU 65 Ca -0.03 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.41 1dcm h LEU 65 Cb 1.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1dcm h LEU 65 CO 0.12 0.35 -1.36 -0.07 -0.34 0.00 0.00 178.44 177.14 1dcm h LEU 66 N 0.00 0.38 -0.49 2.25 3.38 -1.31 -2.92 115.31 116.59 1dcm h LEU 66 Ca -0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1dcm h LEU 66 Cb 0.71 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1dcm h LEU 66 CO 0.04 1.37 0.32 0.03 0.09 0.00 0.00 178.44 180.29 1dcm h ARG 67 N 0.07 0.65 0.00 1.13 3.08 -0.45 -1.90 114.38 116.95 1dcm h ARG 67 Ca -0.18 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 1dcm h ARG 67 Cb 1.98 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.87 1dcm h ARG 67 CO 0.18 0.44 -0.55 -0.91 -1.07 0.00 0.00 179.97 178.06 1dcm h ASN 68 N 0.66 0.00 0.65 7.04 4.21 -1.13 -2.61 115.58 124.40 1dcm h ASN 68 Ca 0.18 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.57 1dcm h ASN 68 Cb -0.06 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 1dcm h ASN 68 CO -0.04 0.55 -0.57 -0.07 -1.29 0.00 0.00 177.43 176.01 1dcm h LEU 69 N 0.00 0.00 -0.71 1.61 3.38 -1.29 -2.73 115.31 115.57 1dcm h LEU 69 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1dcm h LEU 69 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1dcm h LEU 69 CO 0.07 0.57 -0.60 1.23 0.09 0.00 0.00 178.44 179.80 1dcm h GLY 70 N 1.86 0.00 -1.96 0.83 0.00 -1.05 -2.75 103.07 100.00 1dcm h GLY 70 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1dcm h GLY 70 CO 0.07 0.00 0.06 1.22 0.00 0.00 0.00 176.54 177.89 1dcm n ASP 71 N -3.70 2.57 0.00 0.19 8.00 -1.01 -2.76 116.55 119.84 1dcm n ASP 71 Ca -0.01 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.19 1dcm n ASP 71 Cb 0.63 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1dcm n ASP 71 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1dcm n LEU 72 N 0.13 0.00 -3.19 0.64 4.32 -1.14 -5.05 117.00 112.72 1dcm n LEU 72 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.99 1dcm n LEU 72 Cb 0.60 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.45 1dcm n LEU 72 CO 0.11 0.00 0.15 2.29 -1.22 0.00 0.00 177.39 178.72 1dcm n LYS 73 N 0.00 -1.90 -4.45 3.23 0.00 -1.08 -5.02 118.16 108.94 1dcm n LYS 73 Ca 0.00 1.10 -0.34 0.00 -0.00 0.00 0.00 58.31 59.07 1dcm n LYS 73 Cb 0.00 -5.79 -0.12 0.00 -0.00 0.00 0.00 35.03 29.12 1dcm n LYS 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1dcm s ILE 74 N -3.25 3.82 -1.18 0.58 1.01 -1.06 -5.06 121.20 116.06 1dcm s ILE 74 Ca 0.29 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1dcm s ILE 74 Cb -0.04 -2.66 0.22 0.00 0.01 0.00 0.00 42.46 40.00 1dcm s ILE 74 CO 0.75 0.51 1.48 -0.46 0.00 0.00 0.00 174.94 177.21 1dcm n ASN 75 N 3.38 5.48 -4.00 3.58 6.94 -1.26 -4.84 115.26 124.54 1dcm n ASN 75 Ca -0.18 -3.10 -0.31 0.00 -0.02 0.00 0.00 54.58 50.97 1dcm n ASN 75 Cb 0.53 -1.45 -0.15 0.00 -2.36 0.00 0.00 39.78 36.35 1dcm n ASN 75 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1dcm s ILE 76 N -0.20 2.02 -0.06 1.53 1.01 -1.26 -4.95 121.20 119.29 1dcm s ILE 76 Ca 0.37 -1.93 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 1dcm s ILE 76 Cb -0.00 -2.37 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 1dcm s ILE 76 CO 0.00 -0.39 2.07 -0.81 0.00 0.00 0.00 174.94 175.81 1dcm n PRO 77 N 4.41 2.53 -4.20 2.79 -0.04 -1.26 -4.74 135.00 134.48 1dcm n PRO 77 Ca -0.03 0.86 -0.27 0.00 -0.04 0.00 0.00 63.50 64.02 1dcm n PRO 77 Cb 0.42 -3.09 -0.08 0.00 -0.04 0.00 0.00 33.50 30.72 1dcm n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1dcm s SER 78 N 5.88 4.80 -0.42 3.54 1.04 -1.26 -2.07 113.70 125.21 1dcm s SER 78 Ca 0.94 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 57.01 1dcm s SER 78 Cb -0.40 -1.03 0.12 0.00 0.10 0.00 0.00 66.02 64.80 1dcm s SER 78 CO 0.40 0.09 0.18 -0.63 0.98 0.00 0.00 173.24 174.25 1dcm s ILE 79 N -1.73 1.84 -0.95 -1.02 -1.09 0.16 -2.06 121.20 116.34 1dcm s ILE 79 Ca 0.28 -2.51 -0.24 0.00 -2.23 0.00 0.00 60.65 55.94 1dcm s ILE 79 Cb -0.09 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.51 1dcm s ILE 79 CO 0.19 -0.76 1.44 -0.69 -1.23 0.00 0.00 174.94 173.88 1dcm s VAL 80 N 0.52 3.85 0.12 2.92 1.01 -1.23 -2.78 120.40 124.81 1dcm s VAL 80 Ca 0.15 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1dcm s VAL 80 Cb -0.22 -4.97 -0.10 0.00 0.00 0.00 0.00 36.38 31.08 1dcm s VAL 80 CO -0.06 -1.87 1.77 -0.63 0.00 0.00 0.00 175.10 174.31 1dcm s ILE 81 N 5.39 2.63 0.54 2.22 1.01 -1.26 -3.76 121.20 127.97 1dcm s ILE 81 Ca 0.45 0.16 0.05 0.00 0.00 0.00 0.00 60.65 61.32 1dcm s ILE 81 Cb -0.02 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.38 1dcm s ILE 81 CO -0.04 0.00 0.40 0.42 0.00 0.00 0.00 174.94 175.72 1dcm s THR 82 N 2.59 1.67 0.29 2.92 -4.23 -0.30 -4.26 115.64 114.32 1dcm s THR 82 Ca 0.79 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1dcm s THR 82 Cb -0.45 -2.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 1dcm s THR 82 CO 0.35 0.00 0.53 -0.83 -0.54 0.00 0.00 174.62 174.13 1dcm s GLY 83 N -4.27 1.77 -0.07 3.99 0.00 -1.26 -2.21 107.32 105.27 1dcm s GLY 83 Ca 0.34 -0.65 -0.35 0.00 0.00 0.00 0.00 44.72 44.06 1dcm s GLY 83 CO 0.21 -0.55 1.80 1.57 0.00 0.00 0.00 173.10 176.13 1dcm n HIS 84 N -1.02 2.26 -2.27 1.90 -0.00 -1.20 -1.46 115.22 113.42 1dcm n HIS 84 Ca -0.03 0.13 -0.15 0.00 0.46 0.00 0.00 57.72 58.13 1dcm n HIS 84 Cb 0.54 -2.61 -0.01 0.00 -0.12 0.00 0.00 29.99 27.79 1dcm n HIS 84 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dcm n GLY 85 N 4.16 -0.21 3.29 1.57 0.00 -1.26 -4.97 105.19 107.77 1dcm n GLY 85 Ca 0.22 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1dcm n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dcm s ASP 86 N -2.32 5.83 -0.14 1.61 3.68 -0.53 -4.97 116.67 119.83 1dcm s ASP 86 Ca 0.00 -1.59 -0.10 0.00 2.13 0.00 0.00 52.55 52.99 1dcm s ASP 86 Cb 0.00 -2.06 -0.05 0.00 -1.45 0.00 0.00 42.92 39.36 1dcm s ASP 86 CO 0.00 -0.64 -0.11 0.58 0.13 0.00 0.00 175.17 175.14 1dcm h VAL 87 N 5.99 0.12 -0.92 1.11 2.07 -1.93 -3.33 116.25 119.36 1dcm h VAL 87 Ca -0.25 -1.14 0.20 0.00 0.82 0.00 0.00 66.70 66.33 1dcm h VAL 87 Cb 1.09 0.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 1dcm h VAL 87 CO 0.84 0.04 0.60 -0.65 0.02 0.00 0.00 177.57 178.42 1dcm h PRO 88 N -1.00 0.43 0.18 1.57 0.11 -1.98 -1.32 132.00 129.99 1dcm h PRO 88 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1dcm h PRO 88 Cb 0.55 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1dcm h PRO 88 CO -0.02 0.29 -0.08 1.98 -0.21 0.00 0.00 178.00 179.95 1dcm h MET 89 N 0.45 -0.23 0.00 1.05 1.85 -1.99 0.12 114.93 116.19 1dcm h MET 89 Ca 0.48 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.59 1dcm h MET 89 Cb 1.15 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 33.23 1dcm h MET 89 CO -0.20 0.09 -0.02 0.00 -0.40 0.00 0.00 176.91 176.38 1dcm h ALA 90 N 0.19 1.07 0.10 0.39 0.00 -1.51 0.61 119.26 120.12 1dcm h ALA 90 Ca -0.02 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1dcm h ALA 90 Cb 0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1dcm h ALA 90 CO 0.04 0.02 -1.62 0.28 0.00 0.00 0.00 179.25 177.97 1dcm h VAL 91 N 0.00 1.03 -0.10 0.00 2.07 -1.11 -3.29 116.25 114.84 1dcm h VAL 91 Ca -0.00 -2.72 -0.12 0.00 0.82 0.00 0.00 66.70 64.68 1dcm h VAL 91 Cb 0.19 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1dcm h VAL 91 CO 0.00 0.78 -0.47 -0.33 0.02 0.00 0.00 177.57 177.57 1dcm h GLU 92 N 0.06 0.26 -0.39 1.57 4.39 0.53 -2.95 114.58 118.04 1dcm h GLU 92 Ca -0.27 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.15 1dcm h GLU 92 Cb 2.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 1dcm h GLU 92 CO 0.14 0.68 -0.30 0.00 -1.16 0.00 0.00 179.01 178.37 1dcm h ALA 93 N 1.30 0.74 0.00 3.43 0.00 -1.06 -2.27 119.26 121.41 1dcm h ALA 93 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dcm h ALA 93 Cb 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1dcm h ALA 93 CO 0.07 0.66 0.00 0.52 0.00 0.00 0.00 179.25 180.50 1dcm h MET 94 N 0.71 0.00 -0.01 0.00 2.86 -1.62 -1.95 114.93 114.93 1dcm h MET 94 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1dcm h MET 94 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1dcm h MET 94 CO 0.07 0.00 -0.16 1.17 1.06 0.00 0.00 176.91 179.06 1dcm n LYS 95 N -2.48 1.24 -0.35 1.72 4.81 -0.96 -3.89 118.16 118.23 1dcm n LYS 95 Ca 0.03 -0.76 0.08 0.00 -0.87 0.00 0.00 58.31 56.80 1dcm n LYS 95 Cb 0.36 -1.48 0.22 0.00 0.02 0.00 0.00 35.03 34.14 1dcm n LYS 95 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1dcm n ALA 96 N -0.22 2.87 -0.08 3.14 0.00 -0.80 -4.96 120.51 120.46 1dcm n ALA 96 Ca 0.15 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1dcm n ALA 96 Cb 0.37 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1dcm n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dcm n GLY 97 N -0.87 0.79 3.73 0.00 0.00 -1.23 -4.77 105.19 102.84 1dcm n GLY 97 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1dcm n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dcm n ALA 98 N -1.35 2.74 0.19 4.61 0.00 -0.82 -4.75 120.51 121.13 1dcm n ALA 98 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 53.44 53.90 1dcm n ALA 98 Cb 0.00 -2.50 0.34 0.00 0.00 0.00 0.00 19.45 17.29 1dcm n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dcm h VAL 99 N 3.63 0.79 -1.53 0.00 2.07 -1.75 -3.43 116.25 116.04 1dcm h VAL 99 Ca -0.45 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1dcm h VAL 99 Cb 1.21 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1dcm h VAL 99 CO 0.90 0.34 0.00 -0.67 0.02 0.00 0.00 177.57 178.15 1dcm n ASP 100 N -3.47 0.00 -3.85 0.57 2.03 -1.21 -5.05 116.55 105.56 1dcm n ASP 100 Ca 0.00 -0.74 -0.08 0.00 0.52 0.00 0.00 54.79 54.49 1dcm n ASP 100 Cb 0.50 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.87 1dcm n ASP 100 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1dcm s PHE 101 N -6.28 0.06 -0.27 -0.67 -0.12 -1.26 -3.55 117.98 105.89 1dcm s PHE 101 Ca 0.00 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1dcm s PHE 101 Cb 0.00 0.50 0.16 0.00 -0.63 0.00 0.00 43.02 43.05 1dcm s PHE 101 CO 0.00 -1.16 0.46 0.42 -0.05 0.00 0.00 175.22 174.89 1dcm s ILE 102 N -3.85 -0.75 0.21 -4.49 -1.09 -1.25 -4.90 121.20 105.07 1dcm s ILE 102 Ca 0.16 -0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.20 1dcm s ILE 102 Cb -0.04 -0.91 -0.08 0.00 -1.58 0.00 0.00 42.46 39.85 1dcm s ILE 102 CO 0.08 -0.11 1.19 -0.70 -1.23 0.00 0.00 174.94 174.17 1dcm s GLU 103 N 2.66 4.51 0.33 2.79 2.12 -1.26 -1.15 118.70 128.69 1dcm s GLU 103 Ca 0.14 1.88 -0.13 0.00 0.36 0.00 0.00 54.97 57.22 1dcm s GLU 103 Cb -0.14 -3.22 -0.08 0.00 0.26 0.00 0.00 34.13 30.94 1dcm s GLU 103 CO -0.21 -0.04 0.72 0.15 -0.54 0.00 0.00 175.26 175.34 1dcm s LYS 104 N -0.52 3.93 1.13 4.30 1.02 -0.94 -4.32 119.74 124.34 1dcm s LYS 104 Ca 0.51 0.58 -0.19 0.00 0.02 0.00 0.00 55.97 56.89 1dcm s LYS 104 Cb -0.33 -2.45 0.26 0.00 -0.52 0.00 0.00 37.83 34.80 1dcm s LYS 104 CO 0.38 0.14 1.21 -2.14 -0.92 0.00 0.00 175.35 174.02 1dcm s PRO 105 N -3.14 -0.64 0.02 -1.68 0.02 -1.26 -3.27 135.00 125.05 1dcm s PRO 105 Ca 0.53 -0.29 -0.26 0.00 0.02 0.00 0.00 61.00 61.00 1dcm s PRO 105 Cb -0.10 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.79 1dcm s PRO 105 CO 0.21 -3.29 0.60 -0.59 -0.33 0.00 0.00 177.00 173.60 1dcm s PHE 106 N -3.40 -0.54 0.36 6.54 -0.12 -1.26 -5.07 117.98 114.48 1dcm s PHE 106 Ca 0.73 0.74 0.08 0.00 -0.05 0.00 0.00 56.93 58.43 1dcm s PHE 106 Cb -0.06 0.40 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1dcm s PHE 106 CO 0.55 -0.65 0.30 -1.83 -0.05 0.00 0.00 175.22 173.53 1dcm s GLU 107 N -2.06 2.61 0.06 1.99 1.03 -1.26 -5.02 118.70 116.04 1dcm s GLU 107 Ca -0.07 -1.42 -0.11 0.00 0.03 0.00 0.00 54.97 53.40 1dcm s GLU 107 Cb -0.01 -2.39 -0.02 0.00 -0.80 0.00 0.00 34.13 30.91 1dcm s GLU 107 CO 0.02 0.00 1.04 -0.25 -1.33 0.00 0.00 175.26 174.74 1dcm n ASP 108 N -1.39 -0.37 -0.15 0.83 8.00 -1.26 -2.61 116.55 119.59 1dcm n ASP 108 Ca -0.00 1.12 -0.04 0.00 0.71 0.00 0.00 54.79 56.58 1dcm n ASP 108 Cb 0.61 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1dcm n ASP 108 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dcm n THR 109 N -3.76 -0.24 -0.19 -3.53 -1.04 -1.26 -0.27 114.28 103.99 1dcm n THR 109 Ca 0.01 0.95 -0.09 0.00 -2.04 0.00 0.00 64.05 62.88 1dcm n THR 109 Cb 0.09 -1.19 0.01 0.00 -1.82 0.00 0.00 70.33 67.43 1dcm n THR 109 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1dcm h VAL 110 N 0.00 1.25 -0.44 12.58 2.07 -1.92 -1.06 116.25 128.74 1dcm h VAL 110 Ca 0.06 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 1dcm h VAL 110 Cb 0.15 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1dcm h VAL 110 CO -0.34 0.35 -0.05 -0.29 0.02 0.00 0.00 177.57 177.26 1dcm h ILE 111 N 0.79 1.27 -0.08 4.57 6.09 -0.57 -1.19 117.51 128.39 1dcm h ILE 111 Ca 0.17 -1.13 0.00 0.00 -1.37 0.00 0.00 64.86 62.52 1dcm h ILE 111 Cb 0.41 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.80 1dcm h ILE 111 CO 0.01 0.39 0.05 0.40 -3.07 0.00 0.00 178.15 175.93 1dcm h ILE 112 N 0.65 1.03 0.21 2.19 2.04 -0.83 -2.09 117.51 120.71 1dcm h ILE 112 Ca 0.12 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1dcm h ILE 112 Cb 0.57 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1dcm h ILE 112 CO 0.03 0.02 -0.28 -0.08 0.00 0.00 0.00 178.15 177.85 1dcm h GLU 113 N 0.11 -0.48 -1.06 2.37 4.57 -1.15 -2.27 114.58 116.67 1dcm h GLU 113 Ca 0.03 0.03 0.29 0.00 -1.18 0.00 0.00 59.36 58.53 1dcm h GLU 113 Cb -0.01 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 28.58 1dcm h GLU 113 CO -0.01 -0.32 0.66 0.00 -1.18 0.00 0.00 179.01 178.16 1dcm h ALA 114 N -1.20 2.14 -0.53 2.92 0.00 -1.19 0.24 119.26 121.64 1dcm h ALA 114 Ca -0.02 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1dcm h ALA 114 Cb 0.45 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1dcm h ALA 114 CO -0.07 -0.63 -0.08 0.82 0.00 0.00 0.00 179.25 179.29 1dcm h ILE 115 N 0.39 1.26 -0.37 0.00 2.04 -1.16 -2.18 117.51 117.50 1dcm h ILE 115 Ca 0.66 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1dcm h ILE 115 Cb 1.60 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1dcm h ILE 115 CO -0.40 0.43 -0.14 -0.33 0.00 0.00 0.00 178.15 177.70 1dcm h GLU 116 N 0.88 0.66 0.00 2.37 5.08 0.04 -0.69 114.58 122.93 1dcm h GLU 116 Ca 0.14 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1dcm h GLU 116 Cb 0.63 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1dcm h GLU 116 CO 0.04 0.78 0.00 0.00 -1.00 0.00 0.00 179.01 178.83 1dcm h ARG 117 N 0.60 0.00 0.08 2.33 3.08 -1.08 -2.52 114.38 116.86 1dcm h ARG 117 Ca 0.10 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.84 1dcm h ARG 117 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1dcm h ARG 117 CO 0.04 0.00 -1.63 0.00 -1.07 0.00 0.00 179.97 177.30 1dcm h ALA 118 N 2.09 0.45 0.00 0.04 0.00 -0.80 -3.31 119.26 117.74 1dcm h ALA 118 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1dcm h ALA 118 Cb 0.54 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1dcm h ALA 118 CO 0.00 1.31 0.00 -1.13 0.00 0.00 0.00 179.25 179.43 1dcm n SER 119 N -3.33 0.07 -0.11 0.00 3.41 -0.32 -1.94 113.62 111.39 1dcm n SER 119 Ca -0.18 -1.05 -0.22 0.00 -0.26 0.00 0.00 58.87 57.16 1dcm n SER 119 Cb 1.04 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.85 1dcm n SER 119 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dcm n GLU 120 N -0.41 0.56 0.00 4.33 1.02 -1.23 -4.27 120.64 120.65 1dcm n GLU 120 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1dcm n GLU 120 Cb 0.02 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1dcm n GLU 120 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dcm n HIS 121 N -4.42 0.00 0.00 -0.32 8.25 -0.82 -3.91 115.22 114.01 1dcm n HIS 121 Ca -0.34 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1dcm n HIS 121 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1dcm n HIS 121 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1dcm n LEU 122 N -0.09 0.00 0.00 2.41 0.00 -1.26 -4.89 117.00 113.17 1dcm n LEU 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1dcm n LEU 122 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1dcm n LEU 122 CO 0.00 0.00 0.17 1.33 0.00 0.00 0.00 177.39 178.89