#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fd8 s ALA 16 N 0.00 0.33 -0.31 1.96 0.00 -1.26 -5.12 121.76 117.37 2fd8 s ALA 16 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 2fd8 s ALA 16 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2fd8 s ALA 16 CO 0.00 0.05 0.36 0.00 0.00 0.00 0.00 175.76 176.18 2fd8 s ALA 17 N -0.33 3.53 0.00 0.00 0.00 -1.26 -4.20 121.76 119.50 2fd8 s ALA 17 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2fd8 s ALA 17 Cb -0.03 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2fd8 s ALA 17 CO -0.00 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.31 2fd8 n GLY 18 N 4.83 2.00 3.70 0.00 0.00 -1.26 -1.37 105.19 113.08 2fd8 n GLY 18 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2fd8 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fd8 s ALA 19 N -2.32 3.41 -0.33 4.61 0.00 -1.25 -2.60 121.76 123.27 2fd8 s ALA 19 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 2fd8 s ALA 19 Cb 0.00 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.15 2fd8 s ALA 19 CO 0.00 -0.31 0.07 0.08 0.00 0.00 0.00 175.76 175.61 2fd8 s VAL 20 N 1.30 3.26 -0.33 0.00 1.01 -0.60 -4.91 120.40 120.13 2fd8 s VAL 20 Ca 0.37 -1.47 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2fd8 s VAL 20 Cb -0.17 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2fd8 s VAL 20 CO 0.16 -0.26 0.48 -0.63 0.00 0.00 0.00 175.10 174.85 2fd8 s ILE 21 N 1.27 5.05 -0.67 2.22 1.01 -1.26 -1.23 121.20 127.59 2fd8 s ILE 21 Ca -0.01 0.41 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 2fd8 s ILE 21 Cb -0.20 -3.90 0.17 0.00 0.01 0.00 0.00 42.46 38.53 2fd8 s ILE 21 CO -0.01 -0.12 0.47 -0.76 0.00 0.00 0.00 174.94 174.52 2fd8 s LEU 22 N 2.31 5.05 0.16 2.97 1.43 0.12 -5.02 118.68 125.71 2fd8 s LEU 22 Ca 0.18 -3.18 -0.31 0.00 -1.03 0.00 0.00 54.13 49.79 2fd8 s LEU 22 Cb -0.16 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.19 2fd8 s LEU 22 CO 0.12 -0.27 1.34 -0.13 0.23 0.00 0.00 176.35 177.64 2fd8 s ARG 23 N -0.54 4.36 -1.49 1.70 0.52 -1.26 -1.40 118.95 120.85 2fd8 s ARG 23 Ca 0.20 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.47 2fd8 s ARG 23 Cb -0.17 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.08 2fd8 s ARG 23 CO -0.06 -0.33 0.00 0.54 0.02 0.00 0.00 175.30 175.47 2fd8 n ARG 24 N 3.20 -1.28 -0.09 3.54 1.74 -1.23 -4.89 116.66 117.65 2fd8 n ARG 24 Ca 0.08 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 2fd8 n ARG 24 Cb 0.43 -5.21 0.28 0.00 -1.02 0.00 0.00 32.46 26.94 2fd8 n ARG 24 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2fd8 h PHE 25 N 0.00 0.73 -0.52 -1.55 3.57 -1.36 -2.61 116.94 115.20 2fd8 h PHE 25 Ca -0.29 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2fd8 h PHE 25 Cb 1.07 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2fd8 h PHE 25 CO 0.49 0.55 0.00 0.00 -2.23 0.00 0.00 178.31 177.12 2fd8 n ALA 26 N -2.46 3.27 -0.09 2.41 0.00 0.56 -4.53 120.51 119.67 2fd8 n ALA 26 Ca 0.04 -1.42 -0.08 0.00 0.00 0.00 0.00 53.44 51.98 2fd8 n ALA 26 Cb 0.14 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 2fd8 n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2fd8 h PHE 27 N 3.38 0.28 -0.08 0.00 3.57 -1.64 0.17 116.94 122.61 2fd8 h PHE 27 Ca 0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 2fd8 h PHE 27 Cb 1.45 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2fd8 h PHE 27 CO 0.75 0.15 -0.48 -0.91 -2.23 0.00 0.00 178.31 175.59 2fd8 h ASN 28 N 0.31 0.22 1.30 0.41 -0.26 -1.83 -3.12 115.58 112.61 2fd8 h ASN 28 Ca 0.13 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2fd8 h ASN 28 Cb 0.06 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2fd8 h ASN 28 CO -0.10 0.67 -0.48 0.00 -1.06 0.00 0.00 177.43 176.46 2fd8 h ALA 29 N 1.34 0.73 -0.89 -0.83 0.00 -1.83 -3.41 119.26 114.36 2fd8 h ALA 29 Ca 0.01 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2fd8 h ALA 29 Cb 0.91 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.54 2fd8 h ALA 29 CO 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.25 2fd8 h ALA 30 N 2.22 0.85 -0.66 0.00 0.00 -0.90 -1.77 119.26 119.01 2fd8 h ALA 30 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 2fd8 h ALA 30 Cb 0.89 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2fd8 h ALA 30 CO 0.00 -0.46 0.10 0.93 0.00 0.00 0.00 179.25 179.82 2fd8 h GLU 31 N 0.03 1.09 0.00 0.00 5.08 -1.80 -2.27 114.58 116.72 2fd8 h GLU 31 Ca 0.49 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2fd8 h GLU 31 Cb 0.88 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2fd8 h GLU 31 CO -0.85 1.01 -0.58 0.37 -1.00 0.00 0.00 179.01 177.96 2fd8 h GLN 32 N 1.01 0.00 -0.34 2.33 5.75 -1.73 -2.36 115.11 119.77 2fd8 h GLN 32 Ca 0.20 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.53 2fd8 h GLN 32 Cb 0.45 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 2fd8 h GLN 32 CO 0.01 0.58 -0.43 -0.07 -2.65 0.00 0.00 178.83 176.27 2fd8 h LEU 33 N 0.00 0.95 -0.78 -2.39 3.38 -1.14 -1.44 115.31 113.90 2fd8 h LEU 33 Ca -0.01 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 2fd8 h LEU 33 Cb 1.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2fd8 h LEU 33 CO 0.08 1.25 -0.51 0.40 0.09 0.00 0.00 178.44 179.74 2fd8 h ILE 34 N 0.71 1.35 -0.24 1.22 2.04 -1.31 0.10 117.51 121.38 2fd8 h ILE 34 Ca 0.05 -1.77 -0.16 0.00 1.00 0.00 0.00 64.86 63.98 2fd8 h ILE 34 Cb 1.02 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 2fd8 h ILE 34 CO 0.10 0.53 -0.49 0.03 0.00 0.00 0.00 178.15 178.32 2fd8 h ARG 35 N 0.19 0.66 0.00 2.37 3.08 -1.31 -1.99 114.38 117.38 2fd8 h ARG 35 Ca 0.01 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.59 2fd8 h ARG 35 Cb 0.97 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2fd8 h ARG 35 CO 0.08 1.00 -0.38 -0.44 -1.07 0.00 0.00 179.97 179.15 2fd8 h ASP 36 N 0.52 0.00 -0.18 7.04 3.32 -0.91 -1.91 116.42 124.30 2fd8 h ASP 36 Ca 0.02 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 2fd8 h ASP 36 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2fd8 h ASP 36 CO 0.10 0.38 -0.40 0.40 -1.72 0.00 0.00 179.24 178.01 2fd8 h ILE 37 N 0.00 1.34 -0.59 0.35 2.04 -0.61 -1.33 117.51 118.71 2fd8 h ILE 37 Ca -0.00 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 2fd8 h ILE 37 Cb 1.14 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.12 2fd8 h ILE 37 CO 0.05 0.50 0.30 0.78 0.00 0.00 0.00 178.15 179.78 2fd8 h ASN 38 N 0.24 0.73 -0.23 1.72 2.35 -1.26 0.68 115.58 119.80 2fd8 h ASN 38 Ca 0.00 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 2fd8 h ASN 38 Cb 1.00 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 2fd8 h ASN 38 CO 0.09 0.61 -0.29 -0.78 -1.65 0.00 0.00 177.43 175.40 2fd8 h ASP 39 N 0.82 0.66 -0.46 5.81 -0.00 -1.22 -2.55 116.42 119.48 2fd8 h ASP 39 Ca 0.21 -0.50 -0.03 0.00 -0.00 0.00 0.00 57.03 56.71 2fd8 h ASP 39 Cb 0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.18 2fd8 h ASP 39 CO -0.03 1.03 0.17 0.58 -0.00 0.00 0.00 179.24 180.99 2fd8 h VAL 40 N 0.31 1.21 0.00 2.25 2.07 -0.93 -2.81 116.25 118.36 2fd8 h VAL 40 Ca 0.03 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2fd8 h VAL 40 Cb 0.86 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2fd8 h VAL 40 CO 0.07 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.90 2fd8 h ALA 41 N 1.02 1.00 0.00 1.67 0.00 -0.80 -0.52 119.26 121.63 2fd8 h ALA 41 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fd8 h ALA 41 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2fd8 h ALA 41 CO -0.01 0.00 -0.28 0.66 0.00 0.00 0.00 179.25 179.62 2fd8 h SER 42 N 0.00 0.00 0.00 0.00 4.64 -1.17 -3.02 113.55 113.99 2fd8 h SER 42 Ca 0.00 -0.04 -0.45 0.00 -0.47 0.00 0.00 61.79 60.83 2fd8 h SER 42 Cb 0.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 2fd8 h SER 42 CO 0.00 0.02 -2.53 1.67 -0.87 0.00 0.00 176.83 175.12 2fd8 n GLN 43 N -2.61 0.60 -3.99 4.77 7.27 -0.74 -4.80 117.38 117.89 2fd8 n GLN 43 Ca 0.04 0.23 -0.31 0.00 0.07 0.00 0.00 57.00 57.03 2fd8 n GLN 43 Cb 0.49 -1.50 -0.15 0.00 2.41 0.00 0.00 30.24 31.49 2fd8 n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2fd8 s SER 44 N -7.26 4.61 0.82 1.69 0.01 -0.28 -5.00 113.70 108.29 2fd8 s SER 44 Ca -0.38 -2.47 -0.13 0.00 1.31 0.00 0.00 55.95 54.28 2fd8 s SER 44 Cb 0.13 -1.64 0.09 0.00 0.21 0.00 0.00 66.02 64.82 2fd8 s SER 44 CO 0.52 -0.33 1.20 -2.84 0.41 0.00 0.00 173.24 172.20 2fd8 s PRO 45 N 0.46 1.58 0.06 12.44 0.02 -1.14 -4.00 135.00 144.43 2fd8 s PRO 45 Ca 0.13 1.74 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 2fd8 s PRO 45 Cb -0.22 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 2fd8 s PRO 45 CO -0.05 -2.25 1.25 -0.06 -0.33 0.00 0.00 177.00 175.55 2fd8 s PHE 46 N -2.20 3.36 0.03 6.54 0.40 -1.26 -4.68 117.98 120.18 2fd8 s PHE 46 Ca 0.72 1.21 0.02 0.00 -0.60 0.00 0.00 56.93 58.28 2fd8 s PHE 46 Cb -0.28 -3.48 -0.02 0.00 0.51 0.00 0.00 43.02 39.74 2fd8 s PHE 46 CO 0.51 -1.55 -0.06 -0.98 0.70 0.00 0.00 175.22 173.84 2fd8 s ARG 47 N 1.17 0.46 -0.53 0.44 3.03 -0.76 -4.89 118.95 117.88 2fd8 s ARG 47 Ca 0.60 -0.71 -0.20 0.00 2.03 0.00 0.00 55.73 57.46 2fd8 s ARG 47 Cb -0.31 -0.17 0.06 0.00 -1.03 0.00 0.00 34.95 33.51 2fd8 s ARG 47 CO 0.29 0.02 0.67 -0.65 -1.13 0.00 0.00 175.30 174.50 2fd8 s GLN 48 N -1.53 3.13 0.49 3.89 -0.21 -1.26 -0.54 119.66 123.62 2fd8 s GLN 48 Ca -0.12 -0.90 -0.23 0.00 0.02 0.00 0.00 55.36 54.13 2fd8 s GLN 48 Cb -0.10 -4.12 -0.07 0.00 1.00 0.00 0.00 33.01 29.72 2fd8 s GLN 48 CO -0.00 -1.30 1.28 -1.64 -2.12 0.00 0.00 175.29 171.50 2fd8 s MET 49 N 2.78 3.53 -0.27 2.91 -1.94 -1.26 -4.63 119.30 120.42 2fd8 s MET 49 Ca 0.16 2.05 -0.12 0.00 -1.71 0.00 0.00 55.69 56.07 2fd8 s MET 49 Cb -0.19 -2.40 -0.05 0.00 2.01 0.00 0.00 34.83 34.19 2fd8 s MET 49 CO 0.12 -0.82 0.22 0.08 -0.01 0.00 0.00 175.02 174.60 2fd8 s VAL 50 N -1.39 5.29 0.67 -6.03 1.01 -1.26 -0.72 120.40 117.97 2fd8 s VAL 50 Ca 0.66 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 2fd8 s VAL 50 Cb -0.36 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2fd8 s VAL 50 CO 0.43 0.25 1.18 0.42 0.00 0.00 0.00 175.10 177.38 2fd8 s THR 51 N 1.67 2.68 0.61 3.92 -4.23 0.07 -4.62 115.64 115.72 2fd8 s THR 51 Ca 0.09 0.36 0.27 0.00 -1.18 0.00 0.00 61.69 61.23 2fd8 s THR 51 Cb -0.15 -2.96 0.36 0.00 1.34 0.00 0.00 72.50 71.08 2fd8 s THR 51 CO 0.10 -0.16 1.68 1.55 -0.54 0.00 0.00 174.62 177.25 2fd8 h PRO 52 N 0.18 0.00 -0.00 3.99 0.13 -1.87 0.14 132.00 134.57 2fd8 h PRO 52 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2fd8 h PRO 52 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2fd8 h PRO 52 CO 0.53 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 178.69 2fd8 n GLY 53 N -1.55 -0.75 0.52 1.56 0.00 -1.26 -4.91 105.19 98.80 2fd8 n GLY 53 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2fd8 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fd8 n GLY 54 N 1.09 0.86 3.52 -0.02 0.00 0.50 -5.09 105.19 106.06 2fd8 n GLY 54 Ca 0.21 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2fd8 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fd8 s TYR 55 N -2.00 3.09 0.06 1.61 1.51 -1.24 -4.86 117.35 115.52 2fd8 s TYR 55 Ca 0.00 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 2fd8 s TYR 55 Cb 0.00 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 2fd8 s TYR 55 CO 0.00 -0.05 1.16 0.99 -1.11 0.00 0.00 175.55 176.54 2fd8 s THR 56 N 0.57 4.17 0.39 -0.71 2.01 -1.26 -0.75 115.64 120.05 2fd8 s THR 56 Ca -0.00 1.57 -0.25 0.00 0.31 0.00 0.00 61.69 63.32 2fd8 s THR 56 Cb -0.14 -4.01 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2fd8 s THR 56 CO 0.02 0.13 1.09 -0.04 -0.69 0.00 0.00 174.62 175.13 2fd8 s MET 57 N 0.97 4.18 0.29 4.92 -1.94 0.10 -4.96 119.30 122.87 2fd8 s MET 57 Ca 0.57 1.64 0.15 0.00 -1.71 0.00 0.00 55.69 56.33 2fd8 s MET 57 Cb -0.28 -2.65 0.29 0.00 2.01 0.00 0.00 34.83 34.19 2fd8 s MET 57 CO 0.29 -0.15 1.54 0.66 -0.01 0.00 0.00 175.02 177.36 2fd8 h SER 58 N 2.69 0.00 -3.47 3.03 4.64 -1.90 -3.42 113.55 115.11 2fd8 h SER 58 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.30 2fd8 h SER 58 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 2fd8 h SER 58 CO 0.63 0.55 0.28 -0.69 -0.87 0.00 0.00 176.83 176.72 2fd8 s VAL 59 N -3.23 4.71 -0.05 0.95 1.01 -1.26 -4.76 120.40 117.76 2fd8 s VAL 59 Ca 0.01 1.88 -0.18 0.00 0.00 0.00 0.00 61.98 63.70 2fd8 s VAL 59 Cb 0.10 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2fd8 s VAL 59 CO 0.74 0.29 0.48 0.00 0.00 0.00 0.00 175.10 176.61 2fd8 s ALA 60 N 0.30 3.55 0.14 5.51 0.00 -0.54 -4.45 121.76 126.27 2fd8 s ALA 60 Ca 0.45 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.31 2fd8 s ALA 60 Cb -0.21 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2fd8 s ALA 60 CO 0.26 0.19 -0.11 -1.64 0.00 0.00 0.00 175.76 174.47 2fd8 s MET 61 N -0.12 1.04 0.29 0.00 -1.94 0.29 0.47 119.30 119.34 2fd8 s MET 61 Ca 0.26 -1.39 -0.18 0.00 -1.71 0.00 0.00 55.69 52.68 2fd8 s MET 61 Cb -0.16 -0.67 0.02 0.00 2.01 0.00 0.00 34.83 36.02 2fd8 s MET 61 CO 0.13 0.10 0.68 -0.08 -0.01 0.00 0.00 175.02 175.83 2fd8 s THR 62 N -3.01 0.00 0.12 2.05 -1.32 -0.64 -1.82 115.64 111.02 2fd8 s THR 62 Ca 0.14 -1.10 -0.02 0.00 -1.21 0.00 0.00 61.69 59.51 2fd8 s THR 62 Cb 0.01 -2.19 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 2fd8 s THR 62 CO 0.01 0.00 0.07 0.20 -2.21 0.00 0.00 174.62 172.69 2fd8 s ASN 63 N -2.97 0.30 -0.01 8.08 0.01 -1.26 -0.50 114.94 118.60 2fd8 s ASN 63 Ca 0.14 -1.16 -0.11 0.00 -0.71 0.00 0.00 52.86 51.03 2fd8 s ASN 63 Cb -0.05 0.30 0.01 0.00 0.41 0.00 0.00 41.25 41.92 2fd8 s ASN 63 CO 0.08 -0.73 0.22 0.00 -1.51 0.00 0.00 177.10 175.16 2fd8 n GLY 65 N 1.42 0.26 0.21 0.00 0.00 0.54 -1.03 105.19 106.59 2fd8 n GLY 65 Ca -0.22 -2.30 -0.05 0.00 0.00 0.00 0.00 46.02 43.45 2fd8 n GLY 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2fd8 h HIS 66 N 0.00 0.51 -3.21 1.61 3.86 -1.46 -3.42 115.15 113.03 2fd8 h HIS 66 Ca 0.00 -0.14 -0.50 0.00 -1.16 0.00 0.00 60.37 58.57 2fd8 h HIS 66 Cb 0.00 -0.11 -0.17 0.00 1.06 0.00 0.00 27.41 28.19 2fd8 h HIS 66 CO 0.00 0.77 -0.77 -0.51 0.86 0.00 0.00 177.93 178.28 2fd8 s LEU 67 N -8.41 2.46 -0.08 2.43 1.43 -0.47 -4.34 118.68 111.70 2fd8 s LEU 67 Ca -0.06 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.09 2fd8 s LEU 67 Cb 0.13 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.60 2fd8 s LEU 67 CO 0.80 -0.07 0.20 -0.83 0.23 0.00 0.00 176.35 176.68 2fd8 s GLY 68 N -2.80 -0.13 0.18 -3.19 0.00 -0.05 -4.22 107.32 97.10 2fd8 s GLY 68 Ca 0.17 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 2fd8 s GLY 68 CO 0.06 0.73 1.24 0.86 0.00 0.00 0.00 173.10 176.00 2fd8 s TRP 69 N 0.53 3.36 0.11 1.90 -0.00 -1.26 -1.51 118.94 122.07 2fd8 s TRP 69 Ca -0.03 1.33 -0.19 0.00 -0.00 0.00 0.00 56.10 57.21 2fd8 s TRP 69 Cb -0.05 -3.50 0.05 0.00 -0.00 0.00 0.00 33.47 29.97 2fd8 s TRP 69 CO -0.03 -1.47 0.46 -0.08 -0.00 0.00 0.00 176.95 175.83 2fd8 s THR 70 N 0.11 0.05 0.30 5.86 -1.32 -0.92 -4.90 115.64 114.82 2fd8 s THR 70 Ca 0.55 -0.39 -0.08 0.00 -1.21 0.00 0.00 61.69 60.55 2fd8 s THR 70 Cb -0.34 -1.08 -0.06 0.00 -1.51 0.00 0.00 72.50 69.51 2fd8 s THR 70 CO 0.36 -0.22 0.61 0.42 -2.21 0.00 0.00 174.62 173.59 2fd8 s THR 71 N -3.46 4.92 0.27 5.08 -4.23 -1.26 -2.36 115.64 114.59 2fd8 s THR 71 Ca 0.01 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 2fd8 s THR 71 Cb 0.01 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.14 2fd8 s THR 71 CO -0.10 -0.28 0.37 -2.28 -0.54 0.00 0.00 174.62 171.78 2fd8 s HIS 72 N -2.06 0.88 0.23 3.99 5.04 0.00 -4.93 115.29 118.44 2fd8 s HIS 72 Ca 0.47 -1.13 -0.07 0.00 -1.54 0.00 0.00 55.06 52.79 2fd8 s HIS 72 Cb -0.11 -0.16 0.20 0.00 0.04 0.00 0.00 32.58 32.55 2fd8 s HIS 72 CO 0.27 -0.93 1.80 0.00 -2.34 0.00 0.00 174.74 173.54 2fd8 h ARG 73 N 2.31 1.17 -0.00 2.88 3.08 -1.93 -2.90 114.38 118.98 2fd8 h ARG 73 Ca -0.29 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2fd8 h ARG 73 Cb 1.25 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2fd8 h ARG 73 CO 0.41 0.94 -0.25 1.04 -1.07 0.00 0.00 179.97 181.04 2fd8 n GLN 74 N -4.28 0.13 0.00 0.04 1.13 -1.26 -4.78 117.38 108.35 2fd8 n GLN 74 Ca 0.07 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2fd8 n GLN 74 Cb 0.18 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.03 2fd8 n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fd8 n GLY 75 N 1.46 0.85 3.80 1.08 0.00 -1.10 -5.09 105.19 106.19 2fd8 n GLY 75 Ca 0.08 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 2fd8 n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fd8 s TYR 76 N -3.43 3.60 0.18 1.61 2.02 -1.26 -0.82 117.35 119.25 2fd8 s TYR 76 Ca 0.00 0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 57.33 2fd8 s TYR 76 Cb 0.00 -2.26 0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2fd8 s TYR 76 CO 0.00 0.50 0.43 -0.48 -1.57 0.00 0.00 175.55 174.43 2fd8 s LEU 77 N -0.44 0.41 -0.15 -1.29 0.05 -0.99 -4.99 118.68 111.28 2fd8 s LEU 77 Ca 0.20 -0.59 -0.11 0.00 0.05 0.00 0.00 54.13 53.68 2fd8 s LEU 77 Cb -0.14 1.80 -0.05 0.00 -2.05 0.00 0.00 46.19 45.75 2fd8 s LEU 77 CO 0.08 -0.98 0.21 -0.31 -0.55 0.00 0.00 176.35 174.80 2fd8 s TYR 78 N -3.89 3.50 0.00 3.48 1.51 -1.26 -2.17 117.35 118.52 2fd8 s TYR 78 Ca 0.11 0.52 0.02 0.00 -1.01 0.00 0.00 57.07 56.72 2fd8 s TYR 78 Cb 0.01 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2fd8 s TYR 78 CO -0.03 0.42 -0.08 0.45 -1.11 0.00 0.00 175.55 175.20 2fd8 s SER 79 N -0.10 0.94 0.00 2.29 0.15 -0.57 -4.88 113.70 111.52 2fd8 s SER 79 Ca 0.14 -0.20 0.29 0.00 0.70 0.00 0.00 55.95 56.88 2fd8 s SER 79 Cb -0.12 -0.08 1.31 0.00 -1.71 0.00 0.00 66.02 65.41 2fd8 s SER 79 CO 0.03 0.06 1.94 -0.81 1.20 0.00 0.00 173.24 175.65 2fd8 n PRO 80 N 2.66 0.32 -5.01 5.44 -0.04 -1.26 -0.87 135.00 136.24 2fd8 n PRO 80 Ca -0.15 -0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 2fd8 n PRO 80 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2fd8 n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fd8 s ILE 81 N -2.71 2.74 -0.36 0.52 -1.09 -1.26 -3.42 121.20 115.62 2fd8 s ILE 81 Ca 0.23 -0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 57.52 2fd8 s ILE 81 Cb 0.20 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 39.05 2fd8 s ILE 81 CO 0.50 0.58 1.12 -0.62 -1.23 0.00 0.00 174.94 175.29 2fd8 s ASP 82 N -0.59 6.82 0.26 3.58 -1.08 0.23 -4.87 116.67 121.03 2fd8 s ASP 82 Ca 0.08 0.91 0.20 0.00 -0.52 0.00 0.00 52.55 53.23 2fd8 s ASP 82 Cb -0.11 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.80 2fd8 s ASP 82 CO 0.01 -1.00 1.62 -0.81 0.52 0.00 0.00 175.17 175.50 2fd8 n PRO 83 N 7.18 0.14 -0.10 4.34 -0.04 -1.26 -0.15 135.00 145.11 2fd8 n PRO 83 Ca 0.12 0.54 -0.19 0.00 -0.04 0.00 0.00 63.50 63.93 2fd8 n PRO 83 Cb 0.48 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 2fd8 n PRO 83 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2fd8 h GLN 84 N 0.00 0.00 0.00 0.54 4.15 -1.95 -3.39 115.11 114.46 2fd8 h GLN 84 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2fd8 h GLN 84 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2fd8 h GLN 84 CO 0.00 0.86 -0.47 1.79 -1.93 0.00 0.00 178.83 179.08 2fd8 h THR 85 N -1.00 0.00 -0.58 2.39 1.35 -1.93 -3.47 112.91 109.67 2fd8 h THR 85 Ca -0.29 -0.86 -0.25 0.00 -0.55 0.00 0.00 66.41 64.47 2fd8 h THR 85 Cb 1.18 1.61 -0.10 0.00 -1.73 0.00 0.00 68.15 69.10 2fd8 h THR 85 CO -0.17 0.00 -0.23 0.59 -0.25 0.00 0.00 175.52 175.46 2fd8 n ASN 86 N -2.69 -5.18 -4.76 5.36 4.13 0.78 -4.99 115.26 107.90 2fd8 n ASN 86 Ca 0.03 0.30 -0.23 0.00 1.68 0.00 0.00 54.58 56.36 2fd8 n ASN 86 Cb 0.51 -3.75 -0.06 0.00 -1.54 0.00 0.00 39.78 34.94 2fd8 n ASN 86 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2fd8 s LYS 87 N -2.92 2.45 0.75 3.52 1.02 -1.25 -4.84 119.74 118.47 2fd8 s LYS 87 Ca 0.00 -1.50 -0.11 0.00 0.02 0.00 0.00 55.97 54.38 2fd8 s LYS 87 Cb 0.00 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 35.11 2fd8 s LYS 87 CO 0.00 0.10 1.08 -1.25 -0.92 0.00 0.00 175.35 174.36 2fd8 s PRO 88 N -3.88 2.49 0.69 -1.68 0.04 -1.26 -0.60 135.00 130.80 2fd8 s PRO 88 Ca 0.39 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 2fd8 s PRO 88 Cb -0.03 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.58 2fd8 s PRO 88 CO 0.24 -1.39 1.16 -1.58 0.04 0.00 0.00 177.00 175.47 2fd8 s TRP 89 N -3.07 2.32 0.86 0.56 0.52 -1.22 -4.70 118.94 114.22 2fd8 s TRP 89 Ca 0.60 1.58 -0.10 0.00 0.02 0.00 0.00 56.10 58.19 2fd8 s TRP 89 Cb -0.15 -3.33 0.11 0.00 -1.15 0.00 0.00 33.47 28.95 2fd8 s TRP 89 CO 0.55 -2.16 1.12 -2.14 0.02 0.00 0.00 176.95 174.34 2fd8 s PRO 90 N -3.96 1.50 0.61 4.98 0.02 -1.26 -4.70 135.00 132.19 2fd8 s PRO 90 Ca 0.71 1.39 -0.17 0.00 0.02 0.00 0.00 61.00 62.95 2fd8 s PRO 90 Cb -0.25 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 2fd8 s PRO 90 CO 0.43 -2.25 1.12 0.00 -0.33 0.00 0.00 177.00 175.97 2fd8 s ALA 91 N -2.75 2.57 -0.06 -1.55 0.00 -1.26 -0.34 121.76 118.38 2fd8 s ALA 91 Ca 0.65 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 2fd8 s ALA 91 Cb -0.21 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2fd8 s ALA 91 CO 0.57 -1.05 1.57 1.41 0.00 0.00 0.00 175.76 178.27 2fd8 s MET 92 N -3.76 4.20 0.76 0.00 1.75 -1.26 -4.33 119.30 116.65 2fd8 s MET 92 Ca 0.69 2.10 -0.15 0.00 -1.25 0.00 0.00 55.69 57.09 2fd8 s MET 92 Cb -0.22 -3.89 0.05 0.00 2.84 0.00 0.00 34.83 33.62 2fd8 s MET 92 CO 0.35 -0.79 1.22 -2.14 -0.65 0.00 0.00 175.02 173.01 2fd8 s PRO 93 N 3.71 1.95 0.26 4.11 0.02 -1.26 -4.86 135.00 138.93 2fd8 s PRO 93 Ca 0.70 1.80 -0.02 0.00 0.02 0.00 0.00 61.00 63.50 2fd8 s PRO 93 Cb -0.32 -1.81 0.33 0.00 0.02 0.00 0.00 34.50 32.72 2fd8 s PRO 93 CO 0.27 -1.99 1.74 0.37 -0.33 0.00 0.00 177.00 177.07 2fd8 h GLN 94 N -0.47 0.77 -0.72 5.54 5.75 -1.99 -2.12 115.11 121.86 2fd8 h GLN 94 Ca -0.47 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 57.78 2fd8 h GLN 94 Cb 1.30 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 2fd8 h GLN 94 CO 0.48 0.80 0.35 0.66 -2.65 0.00 0.00 178.83 178.47 2fd8 h SER 95 N 0.71 0.93 0.09 -0.69 4.64 -1.95 0.53 113.55 117.81 2fd8 h SER 95 Ca 0.13 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2fd8 h SER 95 Cb 0.49 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2fd8 h SER 95 CO 0.03 0.79 -0.04 -0.26 -0.87 0.00 0.00 176.83 176.48 2fd8 h PHE 96 N 1.03 -0.11 -0.18 4.77 -1.00 -1.85 -2.08 116.94 117.51 2fd8 h PHE 96 Ca 0.25 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.06 2fd8 h PHE 96 Cb 0.11 0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 2fd8 h PHE 96 CO 0.01 0.10 -0.03 0.45 -1.61 0.00 0.00 178.31 177.22 2fd8 h HIS 97 N -0.29 -0.07 -0.45 -0.55 3.86 -0.89 -2.29 115.15 114.46 2fd8 h HIS 97 Ca -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2fd8 h HIS 97 Cb 0.25 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2fd8 h HIS 97 CO -0.01 -0.06 0.27 -0.91 0.86 0.00 0.00 177.93 178.07 2fd8 h ASN 98 N 0.02 0.54 -0.09 2.45 2.35 -0.87 -1.77 115.58 118.21 2fd8 h ASN 98 Ca 0.09 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2fd8 h ASN 98 Cb 0.13 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2fd8 h ASN 98 CO -0.18 0.44 -0.02 0.25 -1.65 0.00 0.00 177.43 176.28 2fd8 h LEU 99 N 0.60 0.17 -0.96 1.61 5.85 -1.29 -2.08 115.31 119.21 2fd8 h LEU 99 Ca 0.16 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2fd8 h LEU 99 Cb 0.00 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2fd8 h LEU 99 CO -0.03 0.49 0.63 0.00 -0.34 0.00 0.00 178.44 179.18 2fd8 h GLN 101 N 1.24 0.24 -0.24 0.00 4.15 -1.28 0.63 115.11 119.84 2fd8 h GLN 101 Ca 0.37 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.66 2fd8 h GLN 101 Cb -0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 2fd8 h GLN 101 CO -0.11 0.34 -0.20 0.00 -1.93 0.00 0.00 178.83 176.94 2fd8 h ARG 102 N 0.08 0.43 -0.13 1.69 3.08 -1.05 -1.54 114.38 116.94 2fd8 h ARG 102 Ca 0.05 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2fd8 h ARG 102 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2fd8 h ARG 102 CO -0.00 0.62 -0.31 0.00 -1.07 0.00 0.00 179.97 179.21 2fd8 h ALA 103 N 1.40 0.21 -0.36 0.04 0.00 -0.72 -2.37 119.26 117.46 2fd8 h ALA 103 Ca 0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2fd8 h ALA 103 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2fd8 h ALA 103 CO 0.04 0.24 -0.22 0.00 0.00 0.00 0.00 179.25 179.31 2fd8 h ALA 104 N 0.53 0.94 -0.52 0.00 0.00 -0.78 -2.35 119.26 117.07 2fd8 h ALA 104 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2fd8 h ALA 104 Cb 0.91 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2fd8 h ALA 104 CO 0.07 0.61 -0.09 1.15 0.00 0.00 0.00 179.25 180.99 2fd8 h THR 105 N 0.61 1.27 0.00 0.00 2.02 -1.31 0.25 112.91 115.75 2fd8 h THR 105 Ca 0.09 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 2fd8 h THR 105 Cb 0.71 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2fd8 h THR 105 CO 0.05 0.43 -0.12 0.00 0.37 0.00 0.00 175.52 176.26 2fd8 h ALA 106 N 0.92 1.09 0.00 6.16 0.00 -1.28 -2.74 119.26 123.41 2fd8 h ALA 106 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2fd8 h ALA 106 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2fd8 h ALA 106 CO 0.04 0.15 -0.76 0.00 0.00 0.00 0.00 179.25 178.68 2fd8 h ALA 107 N 1.88 0.51 0.00 0.00 0.00 -1.03 -3.48 119.26 117.15 2fd8 h ALA 107 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fd8 h ALA 107 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2fd8 h ALA 107 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2fd8 n GLY 108 N 1.32 1.36 2.66 0.00 0.00 -0.90 -4.99 105.19 104.64 2fd8 n GLY 108 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2fd8 n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fd8 n TYR 109 N -1.26 1.68 0.52 1.61 4.02 0.82 -4.95 117.16 119.60 2fd8 n TYR 109 Ca 0.00 -3.92 0.13 0.00 -0.01 0.00 0.00 57.90 54.10 2fd8 n TYR 109 Cb 0.00 -0.30 0.40 0.00 -0.02 0.00 0.00 39.34 39.42 2fd8 n TYR 109 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2fd8 h PRO 110 N 5.32 0.00 0.00 -0.72 0.11 -1.84 -3.24 132.00 131.63 2fd8 h PRO 110 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2fd8 h PRO 110 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2fd8 h PRO 110 CO 0.59 0.00 -0.92 -0.25 -0.21 0.00 0.00 178.00 177.22 2fd8 n ASP 111 N -2.41 0.75 -4.60 -2.05 8.00 -1.26 -4.94 116.55 110.04 2fd8 n ASP 111 Ca 0.05 0.17 -0.51 0.00 0.71 0.00 0.00 54.79 55.21 2fd8 n ASP 111 Cb 0.41 0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.90 2fd8 n ASP 111 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2fd8 n PHE 112 N -2.38 2.00 -3.89 1.24 7.35 -1.24 -4.96 117.46 115.59 2fd8 n PHE 112 Ca 0.01 0.18 -0.30 0.00 -0.76 0.00 0.00 57.45 56.59 2fd8 n PHE 112 Cb 0.50 -2.59 -0.14 0.00 0.35 0.00 0.00 39.48 37.60 2fd8 n PHE 112 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2fd8 s GLN 113 N 4.90 1.64 0.40 -4.13 -2.07 -1.26 -4.94 119.66 114.20 2fd8 s GLN 113 Ca 1.00 -2.24 -0.25 0.00 -1.82 0.00 0.00 55.36 52.05 2fd8 s GLN 113 Cb -0.80 -2.96 -0.09 0.00 -1.09 0.00 0.00 33.01 28.08 2fd8 s GLN 113 CO 0.52 -1.09 1.15 -1.25 -1.32 0.00 0.00 175.29 173.31 2fd8 s PRO 114 N 0.19 4.09 0.00 9.60 0.04 -1.26 -4.76 135.00 142.90 2fd8 s PRO 114 Ca 0.16 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2fd8 s PRO 114 Cb -0.24 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2fd8 s PRO 114 CO -0.03 -0.27 0.75 -0.40 0.04 0.00 0.00 177.00 177.09 2fd8 n ASP 115 N 0.10 1.33 -3.73 6.66 5.68 -0.68 -4.99 116.55 120.91 2fd8 n ASP 115 Ca 0.04 -1.56 -0.12 0.00 -0.50 0.00 0.00 54.79 52.65 2fd8 n ASP 115 Cb 0.47 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.34 2fd8 n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fd8 s ALA 116 N -0.56 -0.87 -0.23 2.12 0.00 -0.95 -1.25 121.76 120.01 2fd8 s ALA 116 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 2fd8 s ALA 116 Cb 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 23.12 22.50 2fd8 s ALA 116 CO 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 175.76 175.61 2fd8 s LEU 118 N 1.79 4.13 -0.30 0.00 2.96 -0.47 -2.14 118.68 124.65 2fd8 s LEU 118 Ca 0.02 1.23 -0.09 0.00 -0.22 0.00 0.00 54.13 55.07 2fd8 s LEU 118 Cb -0.17 -3.35 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 2fd8 s LEU 118 CO -0.15 -0.52 0.13 -0.63 -1.32 0.00 0.00 176.35 173.86 2fd8 s ILE 119 N 2.68 4.43 -0.14 6.68 1.01 0.35 -1.05 121.20 135.16 2fd8 s ILE 119 Ca 0.40 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 2fd8 s ILE 119 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 2fd8 s ILE 119 CO 0.09 0.09 0.03 0.20 0.00 0.00 0.00 174.94 175.35 2fd8 s ASN 120 N 1.59 5.43 -0.15 3.58 0.02 0.68 -1.62 114.94 124.47 2fd8 s ASN 120 Ca 0.04 0.10 0.00 0.00 -1.02 0.00 0.00 52.86 51.98 2fd8 s ASN 120 Cb -0.17 -1.80 -0.00 0.00 0.02 0.00 0.00 41.25 39.30 2fd8 s ASN 120 CO 0.05 0.25 -0.15 -0.60 0.02 0.00 0.00 177.10 176.67 2fd8 s ARG 121 N -0.12 3.24 -0.30 -0.60 3.52 0.18 -0.97 118.95 123.89 2fd8 s ARG 121 Ca 0.06 -0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 54.87 2fd8 s ARG 121 Cb -0.12 -2.61 0.03 0.00 -1.56 0.00 0.00 34.95 30.69 2fd8 s ARG 121 CO 0.02 0.06 0.04 0.71 -0.81 0.00 0.00 175.30 175.32 2fd8 s TYR 122 N 0.71 3.19 0.65 5.12 1.51 0.58 -1.47 117.35 127.64 2fd8 s TYR 122 Ca -0.07 -1.42 -0.07 0.00 -1.01 0.00 0.00 57.07 54.49 2fd8 s TYR 122 Cb -0.16 -2.19 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2fd8 s TYR 122 CO 0.01 -0.70 0.98 0.00 -1.11 0.00 0.00 175.55 174.73 2fd8 s ALA 123 N 1.38 3.16 0.13 3.71 0.00 -1.26 -1.59 121.76 127.29 2fd8 s ALA 123 Ca -0.01 -0.70 -0.32 0.00 0.00 0.00 0.00 51.96 50.92 2fd8 s ALA 123 Cb -0.18 -2.69 -0.12 0.00 0.00 0.00 0.00 23.12 20.13 2fd8 s ALA 123 CO 0.00 -1.05 1.75 -2.30 0.00 0.00 0.00 175.76 174.17 2fd8 n PRO 124 N -2.79 2.55 0.00 0.00 -0.02 -1.26 -1.61 135.00 131.88 2fd8 n PRO 124 Ca 0.06 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2fd8 n PRO 124 Cb 0.59 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2fd8 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fd8 n GLY 125 N 3.98 1.82 3.77 -1.23 0.00 0.32 -4.93 105.19 108.92 2fd8 n GLY 125 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2fd8 n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fd8 s ALA 126 N -2.34 3.55 0.20 4.61 0.00 -0.63 -4.24 121.76 122.91 2fd8 s ALA 126 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2fd8 s ALA 126 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2fd8 s ALA 126 CO 0.00 -0.86 0.09 -1.59 0.00 0.00 0.00 175.76 173.40 2fd8 s LYS 127 N -1.84 1.18 -0.20 0.00 -2.85 -1.26 -1.61 119.74 113.16 2fd8 s LYS 127 Ca 0.52 -1.61 -0.04 0.00 -1.00 0.00 0.00 55.97 53.83 2fd8 s LYS 127 Cb -0.43 0.04 0.08 0.00 -2.06 0.00 0.00 37.83 35.46 2fd8 s LYS 127 CO 0.57 -0.30 0.16 -1.17 0.10 0.00 0.00 175.35 174.71 2fd8 s LEU 128 N -3.18 0.15 0.83 2.77 2.96 -0.30 -4.25 118.68 117.67 2fd8 s LEU 128 Ca 0.33 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 2fd8 s LEU 128 Cb 0.07 0.03 0.09 0.00 0.50 0.00 0.00 46.19 46.88 2fd8 s LEU 128 CO 0.09 -0.35 1.11 -0.55 -1.32 0.00 0.00 176.35 175.33 2fd8 s SER 129 N 2.22 3.94 0.13 3.68 0.15 -1.26 -0.78 113.70 121.78 2fd8 s SER 129 Ca 0.05 1.90 -0.35 0.00 0.70 0.00 0.00 55.95 58.25 2fd8 s SER 129 Cb -0.16 -2.51 -0.16 0.00 -1.71 0.00 0.00 66.02 61.49 2fd8 s SER 129 CO -0.14 -2.41 1.35 0.18 1.20 0.00 0.00 173.24 173.42 2fd8 n LEU 130 N -3.77 2.02 -3.81 3.45 4.77 -1.25 -4.62 117.00 113.79 2fd8 n LEU 130 Ca 0.10 1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 57.12 2fd8 n LEU 130 Cb 0.53 -1.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 2fd8 n LEU 130 CO 0.52 -0.91 0.45 -1.38 -1.33 0.00 0.00 177.39 174.74 2fd8 s HIS 131 N 0.36 -0.21 0.12 -1.77 -3.43 -0.48 -4.89 115.29 104.99 2fd8 s HIS 131 Ca 0.79 -0.21 0.10 0.00 -0.80 0.00 0.00 55.06 54.94 2fd8 s HIS 131 Cb -0.85 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 30.93 2fd8 s HIS 131 CO 0.47 -1.18 -0.25 -0.65 -2.00 0.00 0.00 174.74 171.12 2fd8 s GLN 132 N -3.90 1.50 -0.69 -0.38 -0.21 -1.26 -0.76 119.66 113.96 2fd8 s GLN 132 Ca 0.10 -1.30 -0.15 0.00 0.02 0.00 0.00 55.36 54.03 2fd8 s GLN 132 Cb -0.05 -1.95 0.17 0.00 1.00 0.00 0.00 33.01 32.18 2fd8 s GLN 132 CO 0.05 0.46 0.64 -0.51 -2.12 0.00 0.00 175.29 173.81 2fd8 s ASP 133 N -2.05 6.48 -0.12 5.90 1.11 -1.26 -4.85 116.67 121.88 2fd8 s ASP 133 Ca 0.15 -2.24 0.18 0.00 0.18 0.00 0.00 52.55 50.82 2fd8 s ASP 133 Cb -0.10 -2.21 0.43 0.00 1.07 0.00 0.00 42.92 42.10 2fd8 s ASP 133 CO 0.07 -0.72 1.19 2.29 1.18 0.00 0.00 175.17 179.18 2fd8 n LYS 134 N 4.63 0.98 0.00 8.23 2.85 -1.26 -4.77 118.16 128.83 2fd8 n LYS 134 Ca 0.00 -2.78 0.11 0.00 -1.05 0.00 0.00 58.31 54.59 2fd8 n LYS 134 Cb 0.44 -0.94 0.01 0.00 -0.65 0.00 0.00 35.03 33.89 2fd8 n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2fd8 n ASP 135 N -0.38 2.07 -4.83 -5.58 10.43 -1.26 -4.95 116.55 112.05 2fd8 n ASP 135 Ca 0.14 -1.53 -0.36 0.00 2.57 0.00 0.00 54.79 55.60 2fd8 n ASP 135 Cb 0.91 0.42 -0.06 0.00 1.84 0.00 0.00 41.12 44.23 2fd8 n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2fd8 s GLU 136 N -2.32 4.11 0.18 -1.24 8.01 -1.26 -4.82 118.70 121.37 2fd8 s GLU 136 Ca 0.18 0.66 -0.09 0.00 0.01 0.00 0.00 54.97 55.73 2fd8 s GLU 136 Cb 0.17 -2.98 0.07 0.00 -4.31 0.00 0.00 34.13 27.09 2fd8 s GLU 136 CO 0.51 0.48 1.64 -1.00 0.01 0.00 0.00 175.26 176.91 2fd8 h PRO 137 N 3.71 1.08 -4.71 0.39 0.13 -1.79 -3.40 132.00 127.40 2fd8 h PRO 137 Ca -0.49 -0.34 -0.68 0.00 -0.87 0.00 0.00 66.00 63.62 2fd8 h PRO 137 Cb 1.20 -0.10 -0.35 0.00 0.13 0.00 0.00 31.00 31.88 2fd8 h PRO 137 CO 0.65 1.05 -0.68 0.34 -0.23 0.00 0.00 178.00 179.13 2fd8 s ASP 138 N -6.58 4.89 0.00 1.44 2.15 -1.26 -4.97 116.67 112.34 2fd8 s ASP 138 Ca -0.12 -1.61 0.20 0.00 0.43 0.00 0.00 52.55 51.45 2fd8 s ASP 138 Cb 0.14 -1.70 1.06 0.00 -0.30 0.00 0.00 42.92 42.11 2fd8 s ASP 138 CO 0.86 -0.33 1.64 0.18 -0.17 0.00 0.00 175.17 177.34 2fd8 n LEU 139 N 4.53 0.00 0.15 -1.34 4.32 -1.26 -2.46 117.00 120.93 2fd8 n LEU 139 Ca -0.08 0.24 0.04 0.00 -0.02 0.00 0.00 56.01 56.19 2fd8 n LEU 139 Cb 0.42 -0.24 0.11 0.00 -1.62 0.00 0.00 43.42 42.09 2fd8 n LEU 139 CO 0.26 -0.08 0.53 0.03 -1.22 0.00 0.00 177.39 176.92 2fd8 h ARG 140 N 0.00 0.00 -6.62 3.23 3.08 -1.95 -3.45 114.38 108.67 2fd8 h ARG 140 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2fd8 h ARG 140 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2fd8 h ARG 140 CO 0.00 0.46 0.43 0.00 -1.07 0.00 0.00 179.97 179.78 2fd8 s ALA 141 N -3.11 3.32 0.98 0.04 0.00 -1.03 -4.71 121.76 117.24 2fd8 s ALA 141 Ca 0.03 0.71 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 2fd8 s ALA 141 Cb 0.08 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 20.07 2fd8 s ALA 141 CO 0.73 -0.13 1.24 -1.25 0.00 0.00 0.00 175.76 176.35 2fd8 s PRO 142 N -0.19 0.54 -0.10 0.00 0.04 -1.26 -4.97 135.00 129.05 2fd8 s PRO 142 Ca 0.48 -0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.35 2fd8 s PRO 142 Cb -0.27 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2fd8 s PRO 142 CO 0.32 -2.52 -0.14 0.42 0.04 0.00 0.00 177.00 175.13 2fd8 s ILE 143 N -3.61 1.43 -0.28 0.56 1.01 -1.13 -4.57 121.20 114.61 2fd8 s ILE 143 Ca 0.71 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 2fd8 s ILE 143 Cb -0.07 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2fd8 s ILE 143 CO 0.53 0.43 0.25 -0.69 0.00 0.00 0.00 174.94 175.45 2fd8 s VAL 144 N 1.01 5.27 -0.16 2.92 1.01 -0.95 -0.43 120.40 129.06 2fd8 s VAL 144 Ca -0.06 0.28 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 2fd8 s VAL 144 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2fd8 s VAL 144 CO -0.02 0.21 -0.02 -0.55 0.00 0.00 0.00 175.10 174.73 2fd8 s SER 145 N 1.72 4.91 -0.15 3.32 0.15 0.47 -0.37 113.70 123.75 2fd8 s SER 145 Ca 0.09 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.64 2fd8 s SER 145 Cb -0.16 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 2fd8 s SER 145 CO 0.11 0.16 -0.15 -0.69 1.20 0.00 0.00 173.24 173.87 2fd8 s VAL 146 N 0.42 1.62 -0.12 4.45 1.01 0.52 -0.78 120.40 127.52 2fd8 s VAL 146 Ca -0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2fd8 s VAL 146 Cb -0.14 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2fd8 s VAL 146 CO 0.02 0.47 0.20 -0.44 0.00 0.00 0.00 175.10 175.35 2fd8 s SER 147 N 1.41 6.43 -0.01 3.32 0.01 0.09 -1.12 113.70 123.84 2fd8 s SER 147 Ca 0.04 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2fd8 s SER 147 Cb -0.13 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 63.99 2fd8 s SER 147 CO -0.10 0.31 -0.01 -0.76 0.41 0.00 0.00 173.24 173.09 2fd8 s LEU 148 N -0.56 1.80 0.00 2.44 1.43 0.14 -0.66 118.68 123.27 2fd8 s LEU 148 Ca 0.15 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2fd8 s LEU 148 Cb -0.13 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 45.98 2fd8 s LEU 148 CO 0.04 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.22 2fd8 n GLY 149 N 3.29 0.59 3.68 -3.19 0.00 -1.26 0.09 105.19 108.39 2fd8 n GLY 149 Ca -0.16 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 2fd8 n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fd8 n LEU 150 N 0.00 4.48 -4.78 0.99 4.77 -0.98 -3.71 117.00 117.77 2fd8 n LEU 150 Ca 0.00 0.94 -0.35 0.00 -0.03 0.00 0.00 56.01 56.57 2fd8 n LEU 150 Cb 0.00 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.58 2fd8 n LEU 150 CO 0.00 -1.09 0.76 -2.16 -1.33 0.00 0.00 177.39 173.57 2fd8 s PRO 151 N -2.68 3.75 0.02 3.23 0.04 -1.26 -4.73 135.00 133.36 2fd8 s PRO 151 Ca 0.71 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.28 2fd8 s PRO 151 Cb -0.44 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 2fd8 s PRO 151 CO 0.50 -0.50 -0.04 0.00 0.04 0.00 0.00 177.00 177.00 2fd8 s ALA 152 N -1.79 0.23 -0.40 8.56 0.00 -0.67 -4.58 121.76 123.11 2fd8 s ALA 152 Ca 0.66 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 2fd8 s ALA 152 Cb -0.21 0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2fd8 s ALA 152 CO 0.26 -0.07 0.61 0.42 0.00 0.00 0.00 175.76 176.98 2fd8 s ILE 153 N -1.02 4.88 -0.13 0.00 1.01 -1.26 -0.52 121.20 124.17 2fd8 s ILE 153 Ca -0.10 0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 2fd8 s ILE 153 Cb -0.07 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2fd8 s ILE 153 CO -0.00 -0.46 0.48 0.12 0.00 0.00 0.00 174.94 175.08 2fd8 s PHE 154 N 2.69 3.50 -0.08 3.97 5.36 0.12 -1.77 117.98 131.76 2fd8 s PHE 154 Ca 0.22 0.87 0.04 0.00 -0.96 0.00 0.00 56.93 57.11 2fd8 s PHE 154 Cb -0.15 -2.57 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 2fd8 s PHE 154 CO 0.17 0.14 -0.23 1.14 -1.46 0.00 0.00 175.22 174.97 2fd8 s GLN 155 N 0.75 2.87 0.02 10.12 -2.07 -0.07 -0.22 119.66 131.05 2fd8 s GLN 155 Ca 0.26 -0.87 0.04 0.00 -1.82 0.00 0.00 55.36 52.97 2fd8 s GLN 155 Cb -0.15 -2.28 -0.01 0.00 -1.09 0.00 0.00 33.01 29.48 2fd8 s GLN 155 CO 0.10 0.28 -0.11 -0.59 -1.32 0.00 0.00 175.29 173.65 2fd8 s PHE 156 N 0.11 1.00 0.00 9.60 -0.12 -0.35 -1.25 117.98 126.96 2fd8 s PHE 156 Ca -0.11 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 2fd8 s PHE 156 Cb -0.16 -0.61 0.00 0.00 -0.63 0.00 0.00 43.02 41.62 2fd8 s PHE 156 CO 0.06 -0.00 0.00 0.41 -0.05 0.00 0.00 175.22 175.64 2fd8 n GLY 157 N 2.32 1.55 0.00 1.99 0.00 0.19 -0.80 105.19 110.44 2fd8 n GLY 157 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2fd8 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fd8 n GLY 158 N 5.00 5.56 0.13 -0.02 0.00 -1.26 -4.61 105.19 109.98 2fd8 n GLY 158 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2fd8 n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fd8 h LEU 159 N 0.00 0.35-10.42 0.99 3.38 -1.96 -1.68 115.31 105.98 2fd8 h LEU 159 Ca 0.00 -0.31 -0.48 0.00 0.09 0.00 0.00 57.88 57.18 2fd8 h LEU 159 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2fd8 h LEU 159 CO 0.00 1.14 -0.25 -0.54 0.09 0.00 0.00 178.44 178.88 2fd8 s LYS 160 N -3.08 2.51 0.00 1.13 1.02 -1.26 -4.89 119.74 115.16 2fd8 s LYS 160 Ca -0.04 -1.56 -0.21 0.00 0.02 0.00 0.00 55.97 54.18 2fd8 s LYS 160 Cb 0.09 -2.52 -0.20 0.00 -0.52 0.00 0.00 37.83 34.67 2fd8 s LYS 160 CO 0.85 -0.48 1.16 0.00 -0.92 0.00 0.00 175.35 175.96 2fd8 h ARG 161 N 0.62 0.33 -1.34 1.68 2.47 -2.03 -3.32 114.38 112.79 2fd8 h ARG 161 Ca -0.37 -0.28 -0.33 0.00 -1.26 0.00 0.00 59.98 57.74 2fd8 h ARG 161 Cb 1.28 0.06 -0.15 0.00 -1.65 0.00 0.00 29.97 29.51 2fd8 h ARG 161 CO 0.49 0.94 0.42 -1.71 0.56 0.00 0.00 179.97 180.67 2fd8 n ASN 162 N -4.41 5.64 -4.84 7.04 2.85 -1.26 -4.92 115.26 115.37 2fd8 n ASN 162 Ca -0.09 -3.04 -0.37 0.00 -0.11 0.00 0.00 54.58 50.98 2fd8 n ASN 162 Cb 0.52 -0.94 -0.06 0.00 1.24 0.00 0.00 39.78 40.54 2fd8 n ASN 162 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2fd8 s ASP 163 N -0.04 6.79 -0.14 1.20 1.11 -1.25 -5.02 116.67 119.32 2fd8 s ASP 163 Ca 0.32 0.96 -0.35 0.00 0.18 0.00 0.00 52.55 53.67 2fd8 s ASP 163 Cb 0.26 -2.25 -0.12 0.00 1.07 0.00 0.00 42.92 41.88 2fd8 s ASP 163 CO 0.01 0.25 1.88 -0.81 1.18 0.00 0.00 175.17 177.69 2fd8 n PRO 164 N 1.44 1.96 -2.85 8.23 -0.04 -1.26 -4.65 135.00 137.84 2fd8 n PRO 164 Ca -0.11 0.71 -0.40 0.00 -0.04 0.00 0.00 63.50 63.66 2fd8 n PRO 164 Cb 0.52 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 2fd8 n PRO 164 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fd8 s LEU 165 N 4.21 4.57 0.05 1.53 1.43 -1.26 -4.57 118.68 124.65 2fd8 s LEU 165 Ca 0.95 1.75 0.08 0.00 -1.03 0.00 0.00 54.13 55.88 2fd8 s LEU 165 Cb -0.76 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.97 2fd8 s LEU 165 CO 0.54 0.10 -0.20 -0.54 0.23 0.00 0.00 176.35 176.48 2fd8 s LYS 166 N -0.73 1.95 0.09 1.70 1.02 0.02 -4.96 119.74 118.83 2fd8 s LYS 166 Ca 0.40 -1.05 0.06 0.00 0.02 0.00 0.00 55.97 55.40 2fd8 s LYS 166 Cb -0.24 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2fd8 s LYS 166 CO 0.28 0.52 -0.05 1.03 -0.92 0.00 0.00 175.35 176.21 2fd8 s ARG 167 N -1.51 2.35 -0.10 1.68 0.52 -1.26 -1.22 118.95 119.42 2fd8 s ARG 167 Ca 0.14 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 2fd8 s ARG 167 Cb -0.10 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 32.99 2fd8 s ARG 167 CO 0.05 0.53 0.23 -0.51 0.02 0.00 0.00 175.30 175.62 2fd8 s LEU 168 N -2.17 0.44 -0.07 2.53 1.43 0.70 -4.99 118.68 116.54 2fd8 s LEU 168 Ca 0.23 0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 53.59 2fd8 s LEU 168 Cb -0.11 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.75 2fd8 s LEU 168 CO 0.15 -0.17 0.70 -0.22 0.23 0.00 0.00 176.35 177.05 2fd8 s LEU 169 N 1.28 4.31 -0.28 1.79 2.96 -1.26 0.11 118.68 127.59 2fd8 s LEU 169 Ca -0.09 1.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.97 2fd8 s LEU 169 Cb -0.11 -3.09 0.03 0.00 0.50 0.00 0.00 46.19 43.53 2fd8 s LEU 169 CO -0.08 -0.12 0.01 -0.76 -1.32 0.00 0.00 176.35 174.08 2fd8 s LEU 170 N 0.85 3.66 0.56 -0.68 1.43 0.33 -4.94 118.68 119.88 2fd8 s LEU 170 Ca 0.37 -0.94 0.08 0.00 -1.03 0.00 0.00 54.13 52.62 2fd8 s LEU 170 Cb -0.18 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.35 2fd8 s LEU 170 CO 0.18 -0.20 0.66 -1.61 0.23 0.00 0.00 176.35 175.61 2fd8 s GLU 171 N 1.37 2.28 0.04 1.70 2.02 -1.26 -1.67 118.70 123.18 2fd8 s GLU 171 Ca -0.01 -1.78 -0.33 0.00 0.02 0.00 0.00 54.97 52.88 2fd8 s GLU 171 Cb -0.18 -2.45 -0.11 0.00 0.10 0.00 0.00 34.13 31.49 2fd8 s GLU 171 CO -0.01 -0.78 1.83 1.58 0.02 0.00 0.00 175.26 177.90 2fd8 n HIS 172 N -2.08 2.44 0.00 1.61 -0.00 -1.24 -1.76 115.22 114.19 2fd8 n HIS 172 Ca 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2fd8 n HIS 172 Cb 0.63 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 2fd8 n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fd8 n GLY 173 N 4.20 2.09 3.73 1.57 0.00 0.17 -4.50 105.19 112.45 2fd8 n GLY 173 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2fd8 n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fd8 s ASP 174 N -1.97 6.56 -0.10 1.61 -0.00 -0.72 -0.32 116.67 121.73 2fd8 s ASP 174 Ca 0.00 2.69 0.03 0.00 -0.00 0.00 0.00 52.55 55.27 2fd8 s ASP 174 Cb 0.00 -2.61 0.01 0.00 -0.00 0.00 0.00 42.92 40.32 2fd8 s ASP 174 CO 0.00 -0.82 -0.19 -0.69 -0.00 0.00 0.00 175.17 173.47 2fd8 s VAL 175 N 0.70 1.74 -0.08 -1.27 1.01 -0.49 -0.73 120.40 121.27 2fd8 s VAL 175 Ca 0.67 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2fd8 s VAL 175 Cb -0.44 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2fd8 s VAL 175 CO 0.36 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 175.12 2fd8 s VAL 176 N 0.56 1.32 -0.39 2.92 1.01 0.04 0.15 120.40 126.01 2fd8 s VAL 176 Ca -0.15 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 2fd8 s VAL 176 Cb -0.17 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2fd8 s VAL 176 CO 0.05 0.40 0.24 -0.69 0.00 0.00 0.00 175.10 175.10 2fd8 s VAL 177 N 0.80 4.77 -1.14 2.92 1.01 -0.37 -0.39 120.40 128.00 2fd8 s VAL 177 Ca -0.11 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 2fd8 s VAL 177 Cb -0.16 -3.68 0.13 0.00 0.00 0.00 0.00 36.38 32.67 2fd8 s VAL 177 CO 0.02 -0.28 1.42 0.26 0.00 0.00 0.00 175.10 176.52 2fd8 s TRP 178 N 1.59 3.19 0.57 5.22 0.52 0.43 -1.56 118.94 128.90 2fd8 s TRP 178 Ca 0.03 -1.76 0.06 0.00 0.02 0.00 0.00 56.10 54.46 2fd8 s TRP 178 Cb -0.19 -4.42 0.06 0.00 -1.15 0.00 0.00 33.47 27.77 2fd8 s TRP 178 CO 0.07 -1.54 0.53 0.20 0.02 0.00 0.00 176.95 176.23 2fd8 s GLY 179 N 3.46 2.21 0.00 0.98 0.00 -1.07 -2.82 107.32 110.08 2fd8 s GLY 179 Ca 0.43 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2fd8 s GLY 179 CO -0.02 -1.90 0.00 0.61 0.00 0.00 0.00 173.10 171.80 2fd8 n GLY 180 N -1.95 3.15 0.24 0.20 0.00 -1.26 -2.98 105.19 102.60 2fd8 n GLY 180 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 2fd8 n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fd8 h GLU 181 N 0.00 0.63 0.00 1.61 4.81 -1.88 -3.15 114.58 116.60 2fd8 h GLU 181 Ca 0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2fd8 h GLU 181 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2fd8 h GLU 181 CO 0.00 0.85 -0.01 0.66 -0.73 0.00 0.00 179.01 179.78 2fd8 h SER 182 N 0.54 0.00 0.14 1.04 4.64 -1.12 -2.58 113.55 116.22 2fd8 h SER 182 Ca 0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2fd8 h SER 182 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2fd8 h SER 182 CO 0.06 0.01 -0.12 -0.09 -0.87 0.00 0.00 176.83 175.82 2fd8 h ARG 183 N 0.00 0.00 -0.06 4.77 9.65 -1.58 -2.59 114.38 124.58 2fd8 h ARG 183 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2fd8 h ARG 183 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2fd8 h ARG 183 CO 0.00 0.12 0.00 1.28 2.80 0.00 0.00 179.97 184.17 2fd8 n LEU 184 N -4.28 2.83 -4.78 3.80 4.77 -0.97 -4.62 117.00 113.76 2fd8 n LEU 184 Ca -0.03 -1.05 -0.36 0.00 -0.03 0.00 0.00 56.01 54.55 2fd8 n LEU 184 Cb 0.20 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 2fd8 n LEU 184 CO 0.35 0.50 0.78 -0.36 -1.33 0.00 0.00 177.39 177.32 2fd8 s PHE 185 N -1.75 2.86 0.16 -1.77 2.99 -0.98 -4.73 117.98 114.76 2fd8 s PHE 185 Ca 0.26 1.56 -0.30 0.00 0.00 0.00 0.00 56.93 58.45 2fd8 s PHE 185 Cb 0.18 -3.25 -0.08 0.00 0.00 0.00 0.00 43.02 39.87 2fd8 s PHE 185 CO 0.27 -1.30 1.19 0.71 -0.00 0.00 0.00 175.22 176.09 2fd8 s TYR 186 N -1.74 3.45 0.21 0.36 2.02 -0.63 -4.66 117.35 116.36 2fd8 s TYR 186 Ca 0.67 1.42 -0.10 0.00 -0.37 0.00 0.00 57.07 58.69 2fd8 s TYR 186 Cb -0.23 -3.41 -0.01 0.00 -0.40 0.00 0.00 41.96 37.91 2fd8 s TYR 186 CO 0.28 -1.16 0.37 -3.38 -1.57 0.00 0.00 175.55 170.09 2fd8 s HIS 187 N 0.14 0.43 -0.03 2.71 -3.43 0.06 -0.64 115.29 114.54 2fd8 s HIS 187 Ca 0.54 -0.78 -0.30 0.00 -0.80 0.00 0.00 55.06 53.72 2fd8 s HIS 187 Cb -0.32 0.03 0.11 0.00 -1.43 0.00 0.00 32.58 30.97 2fd8 s HIS 187 CO 0.35 -0.85 1.31 0.20 -2.00 0.00 0.00 174.74 173.76 2fd8 s GLY 188 N -3.01 -0.25 -0.08 -1.38 0.00 -0.38 -1.38 107.32 100.84 2fd8 s GLY 188 Ca 0.21 0.31 0.04 0.00 0.00 0.00 0.00 44.72 45.28 2fd8 s GLY 188 CO 0.05 3.90 -0.22 -0.42 0.00 0.00 0.00 173.10 176.41 2fd8 s ILE 189 N -2.11 2.28 0.54 0.90 -1.09 0.04 -0.89 121.20 120.87 2fd8 s ILE 189 Ca 0.25 -0.96 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 2fd8 s ILE 189 Cb 0.02 -1.87 -0.07 0.00 -1.58 0.00 0.00 42.46 38.96 2fd8 s ILE 189 CO -0.02 0.56 1.01 -1.10 -1.23 0.00 0.00 174.94 174.15 2fd8 s GLN 190 N 0.07 3.76 -0.38 2.79 -0.21 -0.73 -1.15 119.66 123.81 2fd8 s GLN 190 Ca -0.10 1.03 -0.42 0.00 0.02 0.00 0.00 55.36 55.89 2fd8 s GLN 190 Cb -0.15 -2.10 -0.17 0.00 1.00 0.00 0.00 33.01 31.58 2fd8 s GLN 190 CO 0.06 -0.43 1.80 -2.30 -2.12 0.00 0.00 175.29 172.29 2fd8 n PRO 191 N -1.73 0.64 -1.68 2.91 -0.02 -1.26 -4.66 135.00 129.20 2fd8 n PRO 191 Ca 0.07 0.23 -0.44 0.00 -2.02 0.00 0.00 63.50 61.34 2fd8 n PRO 191 Cb 0.54 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 2fd8 n PRO 191 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2fd8 n LEU 192 N 5.67 3.84 -4.75 2.45 7.94 -0.64 -4.77 117.00 126.74 2fd8 n LEU 192 Ca 0.33 0.99 -0.41 0.00 -1.11 0.00 0.00 56.01 55.81 2fd8 n LEU 192 Cb 0.06 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.48 2fd8 n LEU 192 CO 0.84 0.08 0.88 -0.75 -1.11 0.00 0.00 177.39 177.33 2fd8 s LYS 193 N 2.94 4.51 0.46 1.96 2.20 -1.26 -0.52 119.74 130.03 2fd8 s LYS 193 Ca 0.84 1.95 -0.23 0.00 -0.36 0.00 0.00 55.97 58.16 2fd8 s LYS 193 Cb -0.54 -3.17 -0.07 0.00 -1.51 0.00 0.00 37.83 32.54 2fd8 s LYS 193 CO 0.40 0.00 1.21 0.00 -0.36 0.00 0.00 175.35 176.61 2fd8 s ALA 194 N -0.77 3.02 0.00 3.13 0.00 -1.26 -4.85 121.76 121.02 2fd8 s ALA 194 Ca 0.49 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2fd8 s ALA 194 Cb -0.34 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2fd8 s ALA 194 CO 0.43 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2fd8 n GLY 195 N 0.55 -1.11 3.11 0.00 0.00 -1.26 -5.14 105.19 101.33 2fd8 n GLY 195 Ca 0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 2fd8 n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fd8 s PHE 196 N -3.00 1.20 -0.03 1.61 5.36 -1.26 -4.55 117.98 117.31 2fd8 s PHE 196 Ca 0.00 -0.26 0.01 0.00 -0.96 0.00 0.00 56.93 55.72 2fd8 s PHE 196 Cb 0.00 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.94 2fd8 s PHE 196 CO 0.00 -0.00 -0.04 -1.58 -1.46 0.00 0.00 175.22 172.14 2fd8 s HIS 197 N -0.46 0.61 0.42 10.12 5.65 -0.70 -4.96 115.29 125.96 2fd8 s HIS 197 Ca 0.04 -0.14 0.14 0.00 0.25 0.00 0.00 55.06 55.35 2fd8 s HIS 197 Cb -0.06 -0.55 1.00 0.00 -1.18 0.00 0.00 32.58 31.79 2fd8 s HIS 197 CO -0.00 -0.15 1.93 -1.35 -0.65 0.00 0.00 174.74 174.52 2fd8 h PRO 198 N 7.00 0.45 0.00 2.88 0.11 -2.00 -0.23 132.00 140.21 2fd8 h PRO 198 Ca -0.38 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.41 2fd8 h PRO 198 Cb 1.15 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2fd8 h PRO 198 CO 0.48 0.30 -1.68 -0.07 -0.21 0.00 0.00 178.00 176.82 2fd8 h LEU 199 N 0.47 0.00 -1.07 2.35 3.38 -2.00 -3.39 115.31 115.05 2fd8 h LEU 199 Ca 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2fd8 h LEU 199 Cb 0.75 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2fd8 h LEU 199 CO -0.12 1.01 -0.05 0.35 0.09 0.00 0.00 178.44 179.72 2fd8 n THR 200 N -3.06 0.00 0.00 0.22 -2.24 -1.21 -5.05 114.28 102.94 2fd8 n THR 200 Ca -0.16 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2fd8 n THR 200 Cb 1.05 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 70.40 2fd8 n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2fd8 n ILE 201 N 0.15 0.00 -0.95 2.28 2.08 -0.10 -3.21 119.36 119.61 2fd8 n ILE 201 Ca 0.04 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.36 2fd8 n ILE 201 Cb 0.17 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.08 2fd8 n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2fd8 n ASP 202 N 2.27 0.88 -3.99 4.38 3.85 -1.26 -1.73 116.55 120.95 2fd8 n ASP 202 Ca 0.00 -1.78 -0.25 0.00 -0.71 0.00 0.00 54.79 52.05 2fd8 n ASP 202 Cb 0.00 -0.10 -0.08 0.00 -1.35 0.00 0.00 41.12 39.59 2fd8 n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2fd8 s ARG 204 N -3.66 1.27 0.09 0.00 3.52 -0.62 -2.31 118.95 117.23 2fd8 s ARG 204 Ca 0.26 -0.81 0.10 0.00 -0.13 0.00 0.00 55.73 55.15 2fd8 s ARG 204 Cb 0.02 -1.32 -0.03 0.00 -1.56 0.00 0.00 34.95 32.06 2fd8 s ARG 204 CO 0.16 0.34 -0.26 0.71 -0.81 0.00 0.00 175.30 175.45 2fd8 s TYR 205 N -0.71 2.34 -0.03 5.12 1.51 0.11 -0.31 117.35 125.39 2fd8 s TYR 205 Ca 0.06 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 2fd8 s TYR 205 Cb -0.08 -1.33 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 2fd8 s TYR 205 CO 0.01 0.24 0.05 1.21 -1.11 0.00 0.00 175.55 175.95 2fd8 s ASN 206 N -1.67 0.15 -0.19 2.29 3.84 -0.15 -0.69 114.94 118.53 2fd8 s ASN 206 Ca 0.13 0.07 -0.04 0.00 0.21 0.00 0.00 52.86 53.23 2fd8 s ASN 206 Cb -0.10 -0.05 -0.02 0.00 -0.55 0.00 0.00 41.25 40.53 2fd8 s ASN 206 CO 0.04 -0.14 -0.03 -0.76 -2.79 0.00 0.00 177.10 173.42 2fd8 s LEU 207 N 1.20 3.13 -0.29 3.21 1.43 -0.27 -0.23 118.68 126.86 2fd8 s LEU 207 Ca -0.08 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2fd8 s LEU 207 Cb -0.13 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.39 2fd8 s LEU 207 CO -0.03 0.08 -0.05 0.42 0.23 0.00 0.00 176.35 176.99 2fd8 s THR 208 N 0.92 2.22 -0.11 5.49 -4.23 -0.22 -0.36 115.64 119.36 2fd8 s THR 208 Ca 0.00 -1.90 -0.27 0.00 -1.18 0.00 0.00 61.69 58.34 2fd8 s THR 208 Cb -0.14 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 2fd8 s THR 208 CO 0.01 -0.24 0.91 -0.36 -0.54 0.00 0.00 174.62 174.40 2fd8 s PHE 209 N 1.03 3.51 0.10 3.99 0.40 0.50 -1.36 117.98 126.13 2fd8 s PHE 209 Ca -0.02 1.45 0.05 0.00 -0.60 0.00 0.00 56.93 57.82 2fd8 s PHE 209 Cb -0.20 -3.08 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 2fd8 s PHE 209 CO -0.06 -0.17 -0.13 1.03 0.70 0.00 0.00 175.22 176.58 2fd8 s ARG 210 N 1.81 0.91 -0.75 0.44 3.00 0.69 -2.25 118.95 122.80 2fd8 s ARG 210 Ca 0.44 -1.10 -0.12 0.00 0.00 0.00 0.00 55.73 54.95 2fd8 s ARG 210 Cb -0.18 -0.81 0.20 0.00 0.00 0.00 0.00 34.95 34.16 2fd8 s ARG 210 CO 0.17 0.16 0.66 -1.14 0.00 0.00 0.00 175.30 175.15 2fd8 s GLN 211 N -2.30 3.29 -0.00 3.54 0.74 -1.26 -1.69 119.66 121.97 2fd8 s GLN 211 Ca 0.04 -2.39 0.19 0.00 0.05 0.00 0.00 55.36 53.25 2fd8 s GLN 211 Cb -0.07 -4.25 -0.20 0.00 1.10 0.00 0.00 33.01 29.59 2fd8 s GLN 211 CO 0.02 -1.26 0.59 0.00 -0.55 0.00 0.00 175.29 174.08 2fd8 n ALA 212 N 4.01 2.19 -1.94 1.58 0.00 -1.26 -4.53 120.51 120.56 2fd8 n ALA 212 Ca 0.09 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 2fd8 n ALA 212 Cb 0.44 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2fd8 n ALA 212 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fd8 s GLY 213 N -4.80 2.78 0.00 0.00 0.00 -1.26 -4.49 107.32 99.55 2fd8 s GLY 213 Ca -0.06 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.66 2fd8 s GLY 213 CO 0.84 1.81 0.00 0.58 0.00 0.00 0.00 173.10 176.33