#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdi s ALA 16 N 0.00 -1.07 -0.04 1.96 0.00 -1.26 -5.10 121.76 116.24 2fdi s ALA 16 Ca 0.00 0.31 -0.35 0.00 0.00 0.00 0.00 51.96 51.92 2fdi s ALA 16 Cb 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 23.12 21.04 2fdi s ALA 16 CO 0.00 -1.63 1.75 0.00 0.00 0.00 0.00 175.76 175.88 2fdi n ALA 17 N 5.35 0.69 0.00 0.00 0.00 -1.26 -0.99 120.51 124.30 2fdi n ALA 17 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2fdi n ALA 17 Cb 0.49 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2fdi n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fdi n GLY 18 N 4.00 2.67 3.77 0.00 0.00 -1.26 -1.31 105.19 113.06 2fdi n GLY 18 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2fdi n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdi s ALA 19 N -2.30 3.43 -0.28 4.61 0.00 -0.16 -2.75 121.76 124.31 2fdi s ALA 19 Ca 0.00 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2fdi s ALA 19 Cb 0.00 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 20.23 2fdi s ALA 19 CO 0.00 0.24 -0.07 0.08 0.00 0.00 0.00 175.76 176.01 2fdi s VAL 20 N -0.87 2.18 -0.32 0.00 1.01 -0.17 -4.89 120.40 117.35 2fdi s VAL 20 Ca 0.36 -1.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 2fdi s VAL 20 Cb -0.22 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2fdi s VAL 20 CO 0.25 -0.16 0.42 -0.63 0.00 0.00 0.00 175.10 174.98 2fdi s ILE 21 N 1.06 5.12 -0.74 2.22 1.01 -1.26 -0.47 121.20 128.14 2fdi s ILE 21 Ca -0.05 0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2fdi s ILE 21 Cb -0.20 -3.82 0.18 0.00 0.01 0.00 0.00 42.46 38.63 2fdi s ILE 21 CO -0.06 -0.04 0.57 -0.76 0.00 0.00 0.00 174.94 174.65 2fdi s LEU 22 N 2.16 5.13 0.31 2.97 1.43 0.19 -5.01 118.68 125.85 2fdi s LEU 22 Ca 0.15 -3.54 -0.29 0.00 -1.03 0.00 0.00 54.13 49.42 2fdi s LEU 22 Cb -0.16 -1.78 -0.11 0.00 0.03 0.00 0.00 46.19 44.17 2fdi s LEU 22 CO 0.11 -0.19 1.46 -0.13 0.23 0.00 0.00 176.35 177.83 2fdi s ARG 23 N -1.05 4.21 -0.22 1.70 0.52 -1.26 -1.69 118.95 121.16 2fdi s ARG 23 Ca 0.24 2.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.86 2fdi s ARG 23 Cb -0.11 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.32 2fdi s ARG 23 CO -0.11 -0.45 0.00 0.54 0.02 0.00 0.00 175.30 175.31 2fdi n ARG 24 N 1.43 -1.66 -0.17 3.54 5.12 -1.20 -4.86 116.66 118.86 2fdi n ARG 24 Ca 0.04 0.51 0.07 0.00 -1.93 0.00 0.00 57.85 56.54 2fdi n ARG 24 Cb 0.40 -4.80 0.37 0.00 -1.16 0.00 0.00 32.46 27.27 2fdi n ARG 24 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2fdi h PHE 25 N 0.00 0.72 -0.54 -1.55 3.57 -1.00 -2.18 116.94 115.95 2fdi h PHE 25 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2fdi h PHE 25 Cb 0.90 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.40 2fdi h PHE 25 CO 0.54 0.37 0.00 0.00 -2.23 0.00 0.00 178.31 176.99 2fdi n ALA 26 N -2.46 3.69 -0.18 2.41 0.00 0.49 -4.54 120.51 119.92 2fdi n ALA 26 Ca 0.11 -1.73 -0.06 0.00 0.00 0.00 0.00 53.44 51.75 2fdi n ALA 26 Cb 0.25 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.63 2fdi n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2fdi h PHE 27 N 3.73 0.63 -0.11 0.00 3.57 -1.54 -1.32 116.94 121.90 2fdi h PHE 27 Ca 0.00 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 2fdi h PHE 27 Cb 1.81 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 2fdi h PHE 27 CO 0.98 0.38 -0.32 -0.91 -2.23 0.00 0.00 178.31 176.20 2fdi h ASN 28 N 0.68 0.21 0.17 0.41 -0.26 -1.82 -3.07 115.58 111.90 2fdi h ASN 28 Ca 0.20 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2fdi h ASN 28 Cb -0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2fdi h ASN 28 CO -0.07 0.53 -0.36 0.00 -1.06 0.00 0.00 177.43 176.48 2fdi n ALA 29 N -2.48 3.30 -0.16 -0.83 0.00 -1.09 -4.57 120.51 114.69 2fdi n ALA 29 Ca -0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 53.44 52.87 2fdi n ALA 29 Cb 0.41 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2fdi n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fdi h ALA 30 N 3.68 -0.31 -0.55 0.00 0.00 -1.14 0.81 119.26 121.75 2fdi h ALA 30 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2fdi h ALA 30 Cb 0.58 0.87 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2fdi h ALA 30 CO 0.00 -0.81 0.31 0.93 0.00 0.00 0.00 179.25 179.68 2fdi h GLU 31 N -0.26 0.59 -0.67 0.00 5.08 -1.81 -0.75 114.58 116.76 2fdi h GLU 31 Ca 0.17 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2fdi h GLU 31 Cb 0.57 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2fdi h GLU 31 CO -0.62 0.39 0.10 0.37 -1.00 0.00 0.00 179.01 178.26 2fdi h GLN 32 N 0.61 1.11 -0.79 2.33 5.75 -1.74 -1.69 115.11 120.70 2fdi h GLN 32 Ca 0.23 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2fdi h GLN 32 Cb 0.08 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 2fdi h GLN 32 CO -0.12 1.02 0.47 -0.07 -2.65 0.00 0.00 178.83 177.48 2fdi h LEU 33 N 1.04 0.95 -0.82 -2.39 3.38 -0.26 -1.04 115.31 116.17 2fdi h LEU 33 Ca 0.20 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2fdi h LEU 33 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2fdi h LEU 33 CO 0.01 0.74 -0.10 0.40 0.09 0.00 0.00 178.44 179.58 2fdi h ILE 34 N 1.08 1.26 -0.63 1.22 2.04 -0.88 0.71 117.51 122.32 2fdi h ILE 34 Ca 0.28 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 2fdi h ILE 34 Cb -0.03 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2fdi h ILE 34 CO -0.05 0.39 0.17 0.03 0.00 0.00 0.00 178.15 178.69 2fdi h ARG 35 N 0.71 0.99 0.00 2.37 3.08 -0.75 -2.20 114.38 118.58 2fdi h ARG 35 Ca 0.12 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2fdi h ARG 35 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2fdi h ARG 35 CO 0.04 0.89 -0.43 -0.44 -1.07 0.00 0.00 179.97 178.96 2fdi h ASP 36 N 0.91 0.00 -0.53 7.04 3.32 -0.77 -1.92 116.42 124.47 2fdi h ASP 36 Ca 0.20 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2fdi h ASP 36 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2fdi h ASP 36 CO -0.00 0.43 -0.08 0.40 -1.72 0.00 0.00 179.24 178.27 2fdi h ILE 37 N 0.00 1.27 -0.55 0.35 2.04 -0.58 -0.52 117.51 119.53 2fdi h ILE 37 Ca -0.00 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 2fdi h ILE 37 Cb 0.93 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2fdi h ILE 37 CO 0.06 0.43 0.04 0.78 0.00 0.00 0.00 178.15 179.45 2fdi h ASN 38 N 0.85 0.87 -0.37 1.72 2.35 -1.10 -0.12 115.58 119.78 2fdi h ASN 38 Ca 0.14 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2fdi h ASN 38 Cb 0.64 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2fdi h ASN 38 CO 0.04 0.91 0.09 -0.78 -1.65 0.00 0.00 177.43 176.05 2fdi h ASP 39 N 0.85 0.56 -0.12 5.81 -0.00 -1.08 -1.81 116.42 120.63 2fdi h ASP 39 Ca 0.17 -0.23 -0.00 0.00 -0.00 0.00 0.00 57.03 56.96 2fdi h ASP 39 Cb 0.45 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.63 2fdi h ASP 39 CO 0.02 0.64 0.06 0.58 -0.00 0.00 0.00 179.24 180.54 2fdi h VAL 40 N 0.45 1.09 -0.00 2.25 2.07 -0.83 -2.42 116.25 118.86 2fdi h VAL 40 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2fdi h VAL 40 Cb 0.30 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2fdi h VAL 40 CO 0.00 0.08 0.01 0.00 0.02 0.00 0.00 177.57 177.68 2fdi h ALA 41 N 0.96 1.29 0.00 1.67 0.00 -0.87 0.29 119.26 122.60 2fdi h ALA 41 Ca 0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2fdi h ALA 41 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2fdi h ALA 41 CO -0.01 -0.01 -0.31 0.66 0.00 0.00 0.00 179.25 179.59 2fdi h SER 42 N 0.00 0.00 0.01 0.00 4.64 -0.80 -2.39 113.55 115.00 2fdi h SER 42 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 2fdi h SER 42 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 2fdi h SER 42 CO -0.00 0.31 -2.26 1.67 -0.87 0.00 0.00 176.83 175.68 2fdi n GLN 43 N -3.54 0.61 -3.92 4.77 7.27 -0.28 -4.77 117.38 117.51 2fdi n GLN 43 Ca -0.00 0.30 -0.30 0.00 0.07 0.00 0.00 57.00 57.06 2fdi n GLN 43 Cb 0.45 -1.56 -0.14 0.00 2.41 0.00 0.00 30.24 31.40 2fdi n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2fdi s SER 44 N -7.16 4.32 0.65 1.69 0.01 -0.07 -4.98 113.70 108.15 2fdi s SER 44 Ca -0.35 -2.69 -0.18 0.00 1.31 0.00 0.00 55.95 54.04 2fdi s SER 44 Cb 0.12 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.81 2fdi s SER 44 CO 0.55 -0.28 1.07 -2.65 0.41 0.00 0.00 173.24 172.34 2fdi n PRO 45 N 3.52 0.87 -2.02 12.44 -0.02 -0.90 -4.02 135.00 144.87 2fdi n PRO 45 Ca 0.05 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 2fdi n PRO 45 Cb 0.35 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2fdi n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2fdi s PHE 46 N -1.54 2.87 -0.02 6.00 0.40 -1.26 -4.71 117.98 119.72 2fdi s PHE 46 Ca 0.78 1.36 -0.10 0.00 -0.60 0.00 0.00 56.93 58.36 2fdi s PHE 46 Cb -0.39 -3.76 0.01 0.00 0.51 0.00 0.00 43.02 39.40 2fdi s PHE 46 CO 0.45 -2.19 0.22 -0.98 0.70 0.00 0.00 175.22 173.42 2fdi s ARG 47 N -2.00 0.53 -0.56 0.44 3.03 -0.25 -4.87 118.95 115.26 2fdi s ARG 47 Ca 0.52 -0.20 -0.21 0.00 2.03 0.00 0.00 55.73 57.87 2fdi s ARG 47 Cb -0.41 0.23 0.06 0.00 -1.03 0.00 0.00 34.95 33.80 2fdi s ARG 47 CO 0.54 -0.13 0.79 -0.65 -1.13 0.00 0.00 175.30 174.73 2fdi s GLN 48 N -1.12 3.16 0.67 3.89 -0.21 -1.26 -0.88 119.66 123.91 2fdi s GLN 48 Ca -0.12 -0.77 -0.16 0.00 0.02 0.00 0.00 55.36 54.33 2fdi s GLN 48 Cb -0.06 -4.14 0.01 0.00 1.00 0.00 0.00 33.01 29.82 2fdi s GLN 48 CO 0.02 -1.47 1.16 -1.64 -2.12 0.00 0.00 175.29 171.25 2fdi s MET 49 N 3.30 2.59 -0.20 2.91 -1.94 -1.26 -4.59 119.30 120.10 2fdi s MET 49 Ca 0.20 1.62 -0.07 0.00 -1.71 0.00 0.00 55.69 55.73 2fdi s MET 49 Cb -0.18 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.72 2fdi s MET 49 CO 0.13 -1.46 0.07 0.08 -0.01 0.00 0.00 175.02 173.82 2fdi s VAL 50 N -2.05 4.68 0.72 -6.03 1.01 -1.26 -0.96 120.40 116.51 2fdi s VAL 50 Ca 0.72 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 2fdi s VAL 50 Cb -0.26 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2fdi s VAL 50 CO 0.41 0.43 1.09 0.42 0.00 0.00 0.00 175.10 177.44 2fdi s THR 51 N 0.69 3.47 0.54 3.92 -4.23 -0.29 -4.66 115.64 115.07 2fdi s THR 51 Ca 0.03 0.53 0.36 0.00 -1.18 0.00 0.00 61.69 61.44 2fdi s THR 51 Cb -0.13 -3.07 0.54 0.00 1.34 0.00 0.00 72.50 71.17 2fdi s THR 51 CO 0.02 -0.57 1.82 -0.65 -0.54 0.00 0.00 174.62 174.70 2fdi h PRO 52 N -0.70 0.00 0.00 3.99 0.11 -1.85 0.50 132.00 134.06 2fdi h PRO 52 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2fdi h PRO 52 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2fdi h PRO 52 CO 0.53 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.73 2fdi n GLY 53 N -1.76 -1.29 0.52 -0.55 0.00 -1.26 -4.89 105.19 95.96 2fdi n GLY 53 Ca 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2fdi n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdi n GLY 54 N 0.80 1.45 3.14 -0.02 0.00 0.18 -5.10 105.19 105.64 2fdi n GLY 54 Ca 0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2fdi n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fdi s TYR 55 N -2.05 2.13 -0.02 1.61 1.51 -1.23 -4.90 117.35 114.40 2fdi s TYR 55 Ca 0.00 -0.86 -0.30 0.00 -1.01 0.00 0.00 57.07 54.90 2fdi s TYR 55 Cb 0.00 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 2fdi s TYR 55 CO 0.00 -0.37 1.38 0.99 -1.11 0.00 0.00 175.55 176.44 2fdi s THR 56 N 0.49 3.80 0.50 -0.71 2.01 -1.26 -1.14 115.64 119.32 2fdi s THR 56 Ca -0.17 1.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.78 2fdi s THR 56 Cb -0.17 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 2fdi s THR 56 CO 0.07 -0.01 1.16 -0.04 -0.69 0.00 0.00 174.62 175.11 2fdi s MET 57 N 2.51 3.54 0.18 4.92 -1.94 -0.13 -4.93 119.30 123.45 2fdi s MET 57 Ca 0.63 1.74 0.10 0.00 -1.71 0.00 0.00 55.69 56.45 2fdi s MET 57 Cb -0.30 -2.23 -0.11 0.00 2.01 0.00 0.00 34.83 34.20 2fdi s MET 57 CO 0.25 -0.72 1.33 0.66 -0.01 0.00 0.00 175.02 176.53 2fdi h SER 58 N 1.66 0.00 -3.74 3.03 4.64 -1.91 -3.43 113.55 113.80 2fdi h SER 58 Ca -0.50 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.33 2fdi h SER 58 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2fdi h SER 58 CO 0.59 0.81 0.38 -0.69 -0.87 0.00 0.00 176.83 177.04 2fdi s VAL 59 N -2.80 3.99 -0.12 0.95 1.01 -1.26 -4.76 120.40 117.41 2fdi s VAL 59 Ca 0.02 1.97 -0.07 0.00 0.00 0.00 0.00 61.98 63.89 2fdi s VAL 59 Cb 0.09 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2fdi s VAL 59 CO 0.79 0.46 0.15 0.00 0.00 0.00 0.00 175.10 176.50 2fdi s ALA 60 N -1.07 3.87 0.21 5.51 0.00 -0.66 -4.52 121.76 125.10 2fdi s ALA 60 Ca 0.42 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2fdi s ALA 60 Cb -0.27 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 2fdi s ALA 60 CO 0.34 0.60 0.02 -1.64 0.00 0.00 0.00 175.76 175.08 2fdi s MET 61 N -0.98 1.27 0.26 0.00 -1.94 -0.06 0.52 119.30 118.36 2fdi s MET 61 Ca 0.15 -1.64 -0.21 0.00 -1.71 0.00 0.00 55.69 52.28 2fdi s MET 61 Cb -0.12 -0.40 0.05 0.00 2.01 0.00 0.00 34.83 36.37 2fdi s MET 61 CO 0.04 -0.16 0.86 -0.08 -0.01 0.00 0.00 175.02 175.67 2fdi s THR 62 N -3.59 0.00 0.07 2.05 -1.32 -0.62 -1.09 115.64 111.14 2fdi s THR 62 Ca 0.29 -0.84 -0.02 0.00 -1.21 0.00 0.00 61.69 59.91 2fdi s THR 62 Cb 0.06 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 2fdi s THR 62 CO 0.08 0.00 0.01 0.20 -2.21 0.00 0.00 174.62 172.70 2fdi s ASN 63 N -3.05 0.41 0.04 8.08 0.01 -1.26 -0.05 114.94 119.12 2fdi s ASN 63 Ca 0.14 -0.98 -0.06 0.00 -0.71 0.00 0.00 52.86 51.26 2fdi s ASN 63 Cb -0.04 0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.84 2fdi s ASN 63 CO 0.07 -0.64 0.10 0.00 -1.51 0.00 0.00 177.10 175.12 2fdi n GLY 65 N 0.63 -1.22 0.15 0.00 0.00 0.15 -1.43 105.19 103.46 2fdi n GLY 65 Ca -0.18 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.52 2fdi n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2fdi h HIS 66 N 0.00 0.41 -3.11 1.61 -0.00 -1.60 -3.42 115.15 109.04 2fdi h HIS 66 Ca 0.00 -0.00 -0.64 0.00 -0.00 0.00 0.00 60.37 59.73 2fdi h HIS 66 Cb 0.00 -0.13 -0.15 0.00 -0.00 0.00 0.00 27.41 27.12 2fdi h HIS 66 CO 0.00 0.30 -0.75 -0.51 -0.00 0.00 0.00 177.93 176.97 2fdi s LEU 67 N -10.07 2.85 -0.01 0.26 1.43 -0.23 -4.33 118.68 108.58 2fdi s LEU 67 Ca -0.13 -0.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2fdi s LEU 67 Cb 0.09 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 2fdi s LEU 67 CO 0.71 0.11 -0.09 -0.83 0.23 0.00 0.00 176.35 176.49 2fdi s GLY 68 N -2.73 0.46 0.18 -3.19 0.00 0.68 -4.23 107.32 98.51 2fdi s GLY 68 Ca 0.23 -0.39 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 2fdi s GLY 68 CO 0.14 -0.29 1.03 0.86 0.00 0.00 0.00 173.10 174.84 2fdi s TRP 69 N -0.15 3.73 0.16 1.90 -0.00 -1.26 -1.03 118.94 122.30 2fdi s TRP 69 Ca 0.02 1.73 -0.17 0.00 -0.00 0.00 0.00 56.10 57.68 2fdi s TRP 69 Cb -0.04 -3.15 0.03 0.00 -0.00 0.00 0.00 33.47 30.31 2fdi s TRP 69 CO -0.00 -0.16 0.48 -0.08 -0.00 0.00 0.00 176.95 177.19 2fdi s THR 70 N -0.47 0.04 0.29 5.86 -1.32 -0.73 -4.91 115.64 114.40 2fdi s THR 70 Ca 0.46 -0.63 -0.07 0.00 -1.21 0.00 0.00 61.69 60.25 2fdi s THR 70 Cb -0.27 -1.36 -0.06 0.00 -1.51 0.00 0.00 72.50 69.30 2fdi s THR 70 CO 0.34 -0.18 0.59 0.42 -2.21 0.00 0.00 174.62 173.57 2fdi s THR 71 N -3.83 4.96 0.25 5.08 -4.23 -1.26 -2.12 115.64 114.49 2fdi s THR 71 Ca 0.06 0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2fdi s THR 71 Cb 0.00 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 2fdi s THR 71 CO -0.07 -0.27 0.24 -2.28 -0.54 0.00 0.00 174.62 171.69 2fdi s HIS 72 N -2.05 1.22 0.30 3.99 5.04 0.27 -4.91 115.29 119.14 2fdi s HIS 72 Ca 0.46 -1.37 0.01 0.00 -1.54 0.00 0.00 55.06 52.62 2fdi s HIS 72 Cb -0.11 -0.47 0.47 0.00 0.04 0.00 0.00 32.58 32.51 2fdi s HIS 72 CO 0.27 -0.79 1.84 0.00 -2.34 0.00 0.00 174.74 173.72 2fdi h ARG 73 N 2.40 0.71 -0.01 2.88 3.08 -1.94 -2.62 114.38 118.88 2fdi h ARG 73 Ca -0.31 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2fdi h ARG 73 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2fdi h ARG 73 CO 0.45 0.68 -0.18 1.04 -1.07 0.00 0.00 179.97 180.89 2fdi n GLN 74 N -4.27 1.00 0.00 0.04 1.13 -1.26 -4.86 117.38 109.16 2fdi n GLN 74 Ca 0.03 -0.56 0.00 0.00 -1.94 0.00 0.00 57.00 54.53 2fdi n GLN 74 Cb 0.24 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2fdi n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fdi n GLY 75 N 1.30 0.51 3.40 1.08 0.00 -0.99 -5.09 105.19 105.40 2fdi n GLY 75 Ca 0.14 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 2fdi n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fdi s TYR 76 N 0.00 2.28 -0.09 1.61 2.02 -1.26 0.94 117.35 122.84 2fdi s TYR 76 Ca 0.00 -0.38 -0.32 0.00 -0.37 0.00 0.00 57.07 56.00 2fdi s TYR 76 Cb 0.00 -1.19 0.12 0.00 -0.40 0.00 0.00 41.96 40.49 2fdi s TYR 76 CO 0.00 0.39 1.15 -0.48 -1.57 0.00 0.00 175.55 175.04 2fdi s LEU 77 N -2.29 -0.16 -0.07 -1.29 0.05 -0.90 -4.93 118.68 109.09 2fdi s LEU 77 Ca 0.16 -0.06 -0.13 0.00 0.05 0.00 0.00 54.13 54.15 2fdi s LEU 77 Cb -0.09 1.56 -0.05 0.00 -2.05 0.00 0.00 46.19 45.55 2fdi s LEU 77 CO 0.07 -0.37 0.32 -0.31 -0.55 0.00 0.00 176.35 175.52 2fdi s TYR 78 N -2.61 3.63 0.02 3.48 1.51 -1.26 -1.77 117.35 120.36 2fdi s TYR 78 Ca 0.10 0.79 0.03 0.00 -1.01 0.00 0.00 57.07 56.98 2fdi s TYR 78 Cb 0.00 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 2fdi s TYR 78 CO -0.05 0.56 -0.09 0.45 -1.11 0.00 0.00 175.55 175.31 2fdi s SER 79 N -0.65 1.06 0.00 2.29 0.15 -0.20 -4.88 113.70 111.46 2fdi s SER 79 Ca 0.20 -0.36 0.28 0.00 0.70 0.00 0.00 55.95 56.77 2fdi s SER 79 Cb -0.15 -0.05 1.10 0.00 -1.71 0.00 0.00 66.02 65.21 2fdi s SER 79 CO 0.09 -0.03 1.82 -0.81 1.20 0.00 0.00 173.24 175.51 2fdi n PRO 80 N 2.13 0.11 -5.09 5.44 -0.04 -1.26 -0.23 135.00 136.07 2fdi n PRO 80 Ca -0.18 -0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 62.94 2fdi n PRO 80 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2fdi n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fdi s ILE 81 N -2.90 2.49 -0.28 0.52 -1.09 -1.26 -3.37 121.20 115.31 2fdi s ILE 81 Ca 0.16 -0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 57.38 2fdi s ILE 81 Cb 0.19 -1.95 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 2fdi s ILE 81 CO 0.56 0.57 1.44 -0.62 -1.23 0.00 0.00 174.94 175.66 2fdi s ASP 82 N -0.22 6.52 0.63 3.58 -1.08 1.00 -4.89 116.67 122.20 2fdi s ASP 82 Ca -0.01 1.35 0.39 0.00 -0.52 0.00 0.00 52.55 53.75 2fdi s ASP 82 Cb -0.13 -2.54 2.11 0.00 -1.46 0.00 0.00 42.92 40.90 2fdi s ASP 82 CO 0.03 -1.19 2.29 1.55 0.52 0.00 0.00 175.17 178.37 2fdi h PRO 83 N 10.04 0.00 0.08 4.34 0.13 -1.96 0.91 132.00 145.54 2fdi h PRO 83 Ca -0.29 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.60 2fdi h PRO 83 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2fdi h PRO 83 CO 1.02 0.01 -1.22 0.37 -0.23 0.00 0.00 178.00 177.95 2fdi h GLN 84 N 0.00 0.16 0.00 0.86 4.15 -1.95 -3.37 115.11 114.96 2fdi h GLN 84 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2fdi h GLN 84 Cb 0.07 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2fdi h GLN 84 CO 0.00 1.13 -0.85 1.79 -1.93 0.00 0.00 178.83 178.97 2fdi h THR 85 N -0.54 0.00 -0.72 2.39 1.35 -1.91 -3.47 112.91 110.02 2fdi h THR 85 Ca -0.28 -0.84 -0.31 0.00 -0.55 0.00 0.00 66.41 64.43 2fdi h THR 85 Cb 1.57 1.38 -0.12 0.00 -1.73 0.00 0.00 68.15 69.25 2fdi h THR 85 CO -0.01 0.00 -0.28 0.59 -0.25 0.00 0.00 175.52 175.57 2fdi n ASN 86 N -2.52 -4.97 -4.56 5.36 5.03 0.32 -4.98 115.26 108.93 2fdi n ASN 86 Ca 0.01 0.37 -0.25 0.00 0.87 0.00 0.00 54.58 55.58 2fdi n ASN 86 Cb 0.51 -3.80 -0.10 0.00 -1.02 0.00 0.00 39.78 35.38 2fdi n ASN 86 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2fdi s LYS 87 N -3.24 1.88 0.79 3.52 1.02 -1.23 -4.84 119.74 117.64 2fdi s LYS 87 Ca 0.00 -1.85 -0.13 0.00 0.02 0.00 0.00 55.97 54.01 2fdi s LYS 87 Cb 0.00 -1.79 0.08 0.00 -0.52 0.00 0.00 37.83 35.60 2fdi s LYS 87 CO 0.00 0.18 1.18 -2.14 -0.92 0.00 0.00 175.35 173.65 2fdi s PRO 88 N -3.62 1.77 0.67 -1.68 0.02 -1.26 -0.00 135.00 130.90 2fdi s PRO 88 Ca 0.33 1.66 -0.14 0.00 0.02 0.00 0.00 61.00 62.86 2fdi s PRO 88 Cb 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.72 2fdi s PRO 88 CO 0.17 -2.09 1.09 -1.58 -0.33 0.00 0.00 177.00 174.27 2fdi s TRP 89 N -2.26 2.71 0.72 6.54 0.52 -1.22 -4.64 118.94 121.32 2fdi s TRP 89 Ca 0.71 1.54 -0.16 0.00 0.02 0.00 0.00 56.10 58.21 2fdi s TRP 89 Cb -0.26 -3.10 0.03 0.00 -1.15 0.00 0.00 33.47 28.98 2fdi s TRP 89 CO 0.50 -1.57 1.17 -2.30 0.02 0.00 0.00 176.95 174.77 2fdi n PRO 90 N -2.57 0.62 -1.61 4.98 -0.02 -1.25 -4.63 135.00 130.53 2fdi n PRO 90 Ca 0.10 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 2fdi n PRO 90 Cb 0.52 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 2fdi n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fdi s ALA 91 N -1.76 2.33 -0.21 3.55 0.00 -1.26 0.33 121.76 124.74 2fdi s ALA 91 Ca 0.77 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 53.05 2fdi s ALA 91 Cb -0.34 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2fdi s ALA 91 CO 0.47 -1.51 1.64 1.41 0.00 0.00 0.00 175.76 177.76 2fdi s MET 92 N -4.11 3.81 0.67 0.00 1.75 -1.26 -4.26 119.30 115.89 2fdi s MET 92 Ca 0.68 1.72 -0.16 0.00 -1.25 0.00 0.00 55.69 56.68 2fdi s MET 92 Cb -0.23 -4.04 0.01 0.00 2.84 0.00 0.00 34.83 33.41 2fdi s MET 92 CO 0.44 -1.28 1.20 -1.25 -0.65 0.00 0.00 175.02 173.48 2fdi s PRO 93 N 4.67 2.54 0.19 4.11 0.04 -1.26 -4.85 135.00 140.45 2fdi s PRO 93 Ca 0.72 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.39 2fdi s PRO 93 Cb -0.26 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.56 2fdi s PRO 93 CO 0.29 -1.52 1.81 0.37 0.04 0.00 0.00 177.00 177.99 2fdi h GLN 94 N 0.20 0.63 -0.95 4.56 5.75 -2.00 -2.01 115.11 121.29 2fdi h GLN 94 Ca -0.49 -0.04 0.11 0.00 -0.15 0.00 0.00 58.65 58.09 2fdi h GLN 94 Cb 1.29 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 29.63 2fdi h GLN 94 CO 0.52 0.41 0.61 0.66 -2.65 0.00 0.00 178.83 178.38 2fdi h SER 95 N 0.65 0.85 0.34 -0.69 4.64 -1.96 0.21 113.55 117.59 2fdi h SER 95 Ca 0.25 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 2fdi h SER 95 Cb 0.10 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2fdi h SER 95 CO -0.14 0.47 -0.16 -0.26 -0.87 0.00 0.00 176.83 175.87 2fdi h PHE 96 N 0.92 -0.42 -0.67 4.77 -1.00 -1.75 -2.31 116.94 116.50 2fdi h PHE 96 Ca 0.46 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.25 2fdi h PHE 96 Cb 0.47 0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.13 2fdi h PHE 96 CO -0.00 -0.13 0.42 0.45 -1.61 0.00 0.00 178.31 177.43 2fdi h HIS 97 N -0.68 0.78 -0.55 -0.55 3.86 -0.94 -1.27 115.15 115.81 2fdi h HIS 97 Ca -0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2fdi h HIS 97 Cb 0.47 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 2fdi h HIS 97 CO 0.00 0.45 0.27 -0.91 0.86 0.00 0.00 177.93 178.60 2fdi h ASN 98 N 0.82 0.73 -0.29 2.45 2.35 -0.98 -1.02 115.58 119.64 2fdi h ASN 98 Ca 0.27 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2fdi h ASN 98 Cb 0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2fdi h ASN 98 CO -0.10 0.65 -0.20 0.25 -1.65 0.00 0.00 177.43 176.38 2fdi h LEU 99 N 0.75 0.68 -0.87 1.61 5.85 -1.22 -2.48 115.31 119.64 2fdi h LEU 99 Ca 0.19 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2fdi h LEU 99 Cb 0.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2fdi h LEU 99 CO -0.02 0.97 0.48 0.00 -0.34 0.00 0.00 178.44 179.53 2fdi h GLN 101 N 1.21 0.25 -0.56 0.00 4.15 -1.13 0.18 115.11 119.21 2fdi h GLN 101 Ca 0.30 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 2fdi h GLN 101 Cb 0.03 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2fdi h GLN 101 CO -0.05 0.29 0.23 0.00 -1.93 0.00 0.00 178.83 177.37 2fdi h ARG 102 N 0.16 0.83 -0.29 1.69 3.08 -1.19 0.02 114.38 118.67 2fdi h ARG 102 Ca 0.06 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2fdi h ARG 102 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2fdi h ARG 102 CO -0.01 0.71 -0.04 0.00 -1.07 0.00 0.00 179.97 179.56 2fdi h ALA 103 N 1.08 0.40 -0.01 0.04 0.00 -1.07 -0.13 119.26 119.56 2fdi h ALA 103 Ca 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fdi h ALA 103 Cb 0.18 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2fdi h ALA 103 CO -0.02 0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.43 2fdi h ALA 104 N 0.81 0.02 -0.30 0.00 0.00 -0.51 -1.17 119.26 118.11 2fdi h ALA 104 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fdi h ALA 104 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2fdi h ALA 104 CO 0.02 -0.44 0.19 1.15 0.00 0.00 0.00 179.25 180.17 2fdi h THR 105 N -0.06 1.09 -0.52 0.00 2.02 -0.97 0.40 112.91 114.88 2fdi h THR 105 Ca 0.01 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.05 2fdi h THR 105 Cb 0.08 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2fdi h THR 105 CO -0.00 0.09 0.35 0.00 0.37 0.00 0.00 175.52 176.33 2fdi h ALA 106 N 1.09 1.92 0.00 6.16 0.00 -0.86 -0.21 119.26 127.36 2fdi h ALA 106 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fdi h ALA 106 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2fdi h ALA 106 CO -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 179.25 179.15 2fdi n ALA 107 N -2.51 2.44 0.00 0.00 0.00 -0.46 -4.90 120.51 115.09 2fdi n ALA 107 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2fdi n ALA 107 Cb 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2fdi n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fdi n GLY 108 N 1.44 1.10 2.73 0.00 0.00 -0.09 -5.00 105.19 105.38 2fdi n GLY 108 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2fdi n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fdi n TYR 109 N -0.87 3.52 0.51 1.61 4.02 0.14 -4.88 117.16 121.20 2fdi n TYR 109 Ca 0.00 -4.05 0.12 0.00 -0.01 0.00 0.00 57.90 53.96 2fdi n TYR 109 Cb 0.00 -0.74 0.45 0.00 -0.02 0.00 0.00 39.34 39.03 2fdi n TYR 109 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2fdi n PRO 110 N 1.45 0.17 0.00 -0.72 -0.04 -1.26 -2.88 135.00 131.72 2fdi n PRO 110 Ca 0.25 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 2fdi n PRO 110 Cb 0.38 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 32.09 2fdi n PRO 110 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2fdi n ASP 111 N -2.09 2.14 -4.67 3.54 8.00 -1.26 -4.91 116.55 117.31 2fdi n ASP 111 Ca 0.03 -1.57 -0.43 0.00 0.71 0.00 0.00 54.79 53.54 2fdi n ASP 111 Cb 0.28 0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2fdi n ASP 111 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2fdi n PHE 112 N 0.18 2.53 -3.67 1.24 7.35 -1.14 -4.95 117.46 118.98 2fdi n PHE 112 Ca 0.10 -0.28 -0.29 0.00 -0.76 0.00 0.00 57.45 56.21 2fdi n PHE 112 Cb 0.48 -2.77 -0.13 0.00 0.35 0.00 0.00 39.48 37.41 2fdi n PHE 112 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2fdi s GLN 113 N 3.96 1.03 0.42 -4.13 -0.21 -1.26 -4.93 119.66 114.54 2fdi s GLN 113 Ca 0.88 -1.67 -0.24 0.00 0.02 0.00 0.00 55.36 54.34 2fdi s GLN 113 Cb -0.47 -2.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.38 2fdi s GLN 113 CO 0.42 -1.13 1.16 -1.25 -2.12 0.00 0.00 175.29 172.37 2fdi s PRO 114 N 0.77 3.95 -0.03 2.91 0.04 -1.26 -4.73 135.00 136.64 2fdi s PRO 114 Ca 0.16 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.03 2fdi s PRO 114 Cb -0.23 -2.56 0.07 0.00 0.04 0.00 0.00 34.50 31.83 2fdi s PRO 114 CO -0.05 -0.39 1.02 -0.40 0.04 0.00 0.00 177.00 177.21 2fdi n ASP 115 N -0.16 1.97 -3.68 6.66 5.68 -0.56 -4.96 116.55 121.50 2fdi n ASP 115 Ca 0.06 -2.23 -0.13 0.00 -0.50 0.00 0.00 54.79 51.98 2fdi n ASP 115 Cb 0.47 -0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.25 2fdi n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fdi s ALA 116 N -1.42 -1.39 -0.16 2.12 0.00 -1.05 -1.06 121.76 118.79 2fdi s ALA 116 Ca 0.08 1.62 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 2fdi s ALA 116 Cb 0.07 -0.94 0.05 0.00 0.00 0.00 0.00 23.12 22.30 2fdi s ALA 116 CO 0.01 -0.27 0.03 0.00 0.00 0.00 0.00 175.76 175.53 2fdi s LEU 118 N 1.92 4.33 -0.24 0.00 2.96 -0.65 -2.05 118.68 124.96 2fdi s LEU 118 Ca 0.01 1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 2fdi s LEU 118 Cb -0.16 -3.13 0.02 0.00 0.50 0.00 0.00 46.19 43.41 2fdi s LEU 118 CO -0.07 -0.11 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.15 2fdi s ILE 119 N 0.72 2.98 -0.11 6.68 1.01 0.92 -1.33 121.20 132.08 2fdi s ILE 119 Ca 0.39 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 2fdi s ILE 119 Cb -0.18 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2fdi s ILE 119 CO 0.19 0.29 0.03 0.20 0.00 0.00 0.00 174.94 175.65 2fdi s ASN 120 N 1.37 5.48 -0.14 3.58 0.02 0.51 -1.58 114.94 124.17 2fdi s ASN 120 Ca 0.02 0.18 0.02 0.00 -1.02 0.00 0.00 52.86 52.07 2fdi s ASN 120 Cb -0.16 -1.66 0.01 0.00 0.02 0.00 0.00 41.25 39.46 2fdi s ASN 120 CO -0.05 0.35 -0.21 -0.60 0.02 0.00 0.00 177.10 176.61 2fdi s ARG 121 N -0.68 3.06 -0.26 -0.60 3.52 0.18 -1.00 118.95 123.17 2fdi s ARG 121 Ca 0.11 -0.83 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 2fdi s ARG 121 Cb -0.12 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2fdi s ARG 121 CO 0.02 -0.01 0.02 0.71 -0.81 0.00 0.00 175.30 175.24 2fdi s TYR 122 N 0.82 3.07 0.49 5.12 1.51 0.98 -1.65 117.35 127.69 2fdi s TYR 122 Ca -0.07 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 2fdi s TYR 122 Cb -0.15 -2.18 -0.01 0.00 -0.11 0.00 0.00 41.96 39.51 2fdi s TYR 122 CO -0.02 -0.55 0.76 0.00 -1.11 0.00 0.00 175.55 174.63 2fdi s ALA 123 N 1.49 3.52 0.13 3.71 0.00 -1.26 -1.39 121.76 127.96 2fdi s ALA 123 Ca 0.04 -0.80 -0.35 0.00 0.00 0.00 0.00 51.96 50.85 2fdi s ALA 123 Cb -0.16 -2.39 -0.15 0.00 0.00 0.00 0.00 23.12 20.42 2fdi s ALA 123 CO -0.00 -0.47 1.42 -2.30 0.00 0.00 0.00 175.76 174.41 2fdi n PRO 124 N -2.25 1.58 0.00 0.00 -0.02 -1.26 -0.49 135.00 132.56 2fdi n PRO 124 Ca 0.01 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2fdi n PRO 124 Cb 0.57 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2fdi n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fdi n GLY 125 N 2.79 3.13 3.68 -1.23 0.00 0.99 -4.90 105.19 109.65 2fdi n GLY 125 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2fdi n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdi n ALA 126 N -0.76 0.98 -2.81 4.61 0.00 0.36 -4.17 120.51 118.72 2fdi n ALA 126 Ca 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 2fdi n ALA 126 Cb 0.00 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.14 2fdi n ALA 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2fdi s LYS 127 N -2.58 1.39 -0.21 0.00 -2.85 -1.26 -1.18 119.74 113.05 2fdi s LYS 127 Ca 0.69 -1.37 -0.04 0.00 -1.00 0.00 0.00 55.97 54.25 2fdi s LYS 127 Cb -0.46 0.40 0.08 0.00 -2.06 0.00 0.00 37.83 35.79 2fdi s LYS 127 CO 0.52 -0.54 0.15 -1.17 0.10 0.00 0.00 175.35 174.40 2fdi s LEU 128 N -3.06 0.23 0.88 2.77 2.96 -0.64 -4.08 118.68 117.74 2fdi s LEU 128 Ca 0.27 -0.66 -0.11 0.00 -0.22 0.00 0.00 54.13 53.41 2fdi s LEU 128 Cb 0.02 -0.05 0.12 0.00 0.50 0.00 0.00 46.19 46.78 2fdi s LEU 128 CO 0.09 -0.37 1.11 -0.94 -1.32 0.00 0.00 176.35 174.92 2fdi s SER 129 N 2.19 3.40 0.18 3.68 1.04 -1.26 -1.01 113.70 121.92 2fdi s SER 129 Ca 0.05 1.89 -0.33 0.00 0.48 0.00 0.00 55.95 58.04 2fdi s SER 129 Cb -0.16 -2.46 -0.15 0.00 0.10 0.00 0.00 66.02 63.35 2fdi s SER 129 CO -0.17 -2.75 1.25 -0.11 0.98 0.00 0.00 173.24 172.43 2fdi n LEU 130 N -3.99 1.93 -3.72 2.42 7.94 -1.25 -4.61 117.00 115.72 2fdi n LEU 130 Ca 0.09 1.14 -0.06 0.00 -1.11 0.00 0.00 56.01 56.07 2fdi n LEU 130 Cb 0.53 -1.27 -0.02 0.00 0.53 0.00 0.00 43.42 43.20 2fdi n LEU 130 CO 0.52 -1.07 0.61 -1.38 -1.11 0.00 0.00 177.39 174.96 2fdi s HIS 131 N -0.06 -0.22 0.08 1.96 -3.43 -0.01 -4.87 115.29 108.74 2fdi s HIS 131 Ca 0.73 -0.11 0.09 0.00 -0.80 0.00 0.00 55.06 54.97 2fdi s HIS 131 Cb -0.81 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 30.94 2fdi s HIS 131 CO 0.51 -0.92 -0.22 -0.65 -2.00 0.00 0.00 174.74 171.45 2fdi s GLN 132 N -3.50 1.79 -0.62 -0.38 -0.21 -1.26 -0.77 119.66 114.70 2fdi s GLN 132 Ca 0.10 -1.14 -0.16 0.00 0.02 0.00 0.00 55.36 54.18 2fdi s GLN 132 Cb -0.03 -2.05 0.14 0.00 1.00 0.00 0.00 33.01 32.07 2fdi s GLN 132 CO 0.01 0.50 0.61 -0.51 -2.12 0.00 0.00 175.29 173.77 2fdi s ASP 133 N -1.67 6.31 -0.10 5.90 1.11 -1.26 -4.84 116.67 122.12 2fdi s ASP 133 Ca 0.14 -1.91 0.17 0.00 0.18 0.00 0.00 52.55 51.14 2fdi s ASP 133 Cb -0.10 -2.23 0.39 0.00 1.07 0.00 0.00 42.92 42.05 2fdi s ASP 133 CO 0.06 -0.86 1.18 2.29 1.18 0.00 0.00 175.17 179.02 2fdi n LYS 134 N 5.23 0.78 0.00 8.23 2.85 -1.26 -4.74 118.16 129.26 2fdi n LYS 134 Ca -0.07 -2.56 0.13 0.00 -1.05 0.00 0.00 58.31 54.76 2fdi n LYS 134 Cb 0.42 -0.84 0.30 0.00 -0.65 0.00 0.00 35.03 34.27 2fdi n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2fdi n ASP 135 N -0.36 1.84 -4.83 -5.58 10.43 -1.26 -4.92 116.55 111.87 2fdi n ASP 135 Ca 0.12 -1.48 -0.36 0.00 2.57 0.00 0.00 54.79 55.64 2fdi n ASP 135 Cb 0.89 0.11 -0.06 0.00 1.84 0.00 0.00 41.12 43.90 2fdi n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2fdi s GLU 136 N -2.20 4.04 0.20 -1.24 8.01 -1.26 -4.82 118.70 121.43 2fdi s GLU 136 Ca 0.29 0.57 -0.11 0.00 0.01 0.00 0.00 54.97 55.73 2fdi s GLU 136 Cb 0.20 -3.00 0.18 0.00 -4.31 0.00 0.00 34.13 27.20 2fdi s GLU 136 CO 0.41 0.51 1.82 -1.00 0.01 0.00 0.00 175.26 177.01 2fdi h PRO 137 N 3.78 0.69 -4.78 0.39 0.13 -1.77 -3.38 132.00 127.05 2fdi h PRO 137 Ca -0.49 -0.04 -0.67 0.00 -0.87 0.00 0.00 66.00 63.93 2fdi h PRO 137 Cb 1.20 -0.16 -0.38 0.00 0.13 0.00 0.00 31.00 31.79 2fdi h PRO 137 CO 0.65 0.46 -0.76 0.34 -0.23 0.00 0.00 178.00 178.46 2fdi s ASP 138 N -5.64 4.62 0.00 1.44 2.15 -1.26 -4.96 116.67 113.02 2fdi s ASP 138 Ca -0.13 -1.72 0.17 0.00 0.43 0.00 0.00 52.55 51.30 2fdi s ASP 138 Cb 0.15 -1.60 0.96 0.00 -0.30 0.00 0.00 42.92 42.13 2fdi s ASP 138 CO 0.76 -0.28 1.43 0.18 -0.17 0.00 0.00 175.17 177.09 2fdi n LEU 139 N 4.37 0.00 0.16 -1.34 4.77 -1.26 -1.87 117.00 121.83 2fdi n LEU 139 Ca -0.06 0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 2fdi n LEU 139 Cb 0.42 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.57 2fdi n LEU 139 CO 0.22 -0.04 0.52 0.03 -1.33 0.00 0.00 177.39 176.80 2fdi h ARG 140 N 0.00 0.00 -6.57 3.23 3.08 -1.95 -3.45 114.38 108.71 2fdi h ARG 140 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2fdi h ARG 140 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2fdi h ARG 140 CO 0.00 0.00 0.39 0.00 -1.07 0.00 0.00 179.97 179.29 2fdi s ALA 141 N -3.25 3.27 0.99 0.04 0.00 -0.78 -4.71 121.76 117.32 2fdi s ALA 141 Ca 0.05 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2fdi s ALA 141 Cb 0.08 -3.30 0.19 0.00 0.00 0.00 0.00 23.12 20.09 2fdi s ALA 141 CO 0.71 -0.08 1.18 -1.25 0.00 0.00 0.00 175.76 176.32 2fdi s PRO 142 N 0.00 0.48 -0.08 0.00 0.04 -1.26 -4.97 135.00 129.21 2fdi s PRO 142 Ca 0.48 0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.55 2fdi s PRO 142 Cb -0.25 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.52 2fdi s PRO 142 CO 0.31 -2.59 -0.15 0.42 0.04 0.00 0.00 177.00 175.03 2fdi s ILE 143 N -3.39 1.34 -0.25 0.56 1.01 -0.72 -4.62 121.20 115.14 2fdi s ILE 143 Ca 0.68 -0.59 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2fdi s ILE 143 Cb -0.10 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 2fdi s ILE 143 CO 0.54 0.40 0.16 -0.69 0.00 0.00 0.00 174.94 175.34 2fdi s VAL 144 N 0.66 5.24 -0.13 2.92 1.01 -1.01 -0.63 120.40 128.46 2fdi s VAL 144 Ca -0.14 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2fdi s VAL 144 Cb -0.16 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2fdi s VAL 144 CO 0.04 0.33 -0.05 -0.55 0.00 0.00 0.00 175.10 174.86 2fdi s SER 145 N 1.24 4.71 -0.12 3.32 0.15 0.19 -0.39 113.70 122.80 2fdi s SER 145 Ca 0.07 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.61 2fdi s SER 145 Cb -0.14 -1.61 0.03 0.00 -1.71 0.00 0.00 66.02 62.59 2fdi s SER 145 CO 0.06 0.23 -0.09 -0.69 1.20 0.00 0.00 173.24 173.95 2fdi s VAL 146 N 0.02 1.12 -0.08 4.45 1.01 0.65 -1.22 120.40 126.34 2fdi s VAL 146 Ca -0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2fdi s VAL 146 Cb -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2fdi s VAL 146 CO 0.03 0.37 0.14 -0.44 0.00 0.00 0.00 175.10 175.20 2fdi s SER 147 N 1.67 6.28 0.01 3.32 0.01 -0.10 -0.77 113.70 124.12 2fdi s SER 147 Ca 0.05 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2fdi s SER 147 Cb -0.13 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2fdi s SER 147 CO -0.09 0.35 -0.02 -0.76 0.41 0.00 0.00 173.24 173.14 2fdi s LEU 148 N -1.36 2.09 0.00 2.44 1.43 0.23 -0.14 118.68 123.37 2fdi s LEU 148 Ca 0.19 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2fdi s LEU 148 Cb -0.12 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.09 2fdi s LEU 148 CO 0.09 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2fdi n GLY 149 N 2.53 0.58 3.75 -3.19 0.00 -1.26 -0.43 105.19 107.17 2fdi n GLY 149 Ca -0.16 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 2fdi n GLY 149 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fdi s LEU 150 N 0.00 3.83 0.46 0.99 1.43 -1.03 -3.60 118.68 120.76 2fdi s LEU 150 Ca 0.00 2.62 -0.22 0.00 -1.03 0.00 0.00 54.13 55.51 2fdi s LEU 150 Cb 0.00 -4.35 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 2fdi s LEU 150 CO 0.00 -1.51 1.05 -2.16 0.23 0.00 0.00 176.35 173.97 2fdi s PRO 151 N -2.98 3.89 0.03 1.29 0.04 -1.26 -4.68 135.00 131.33 2fdi s PRO 151 Ca 0.72 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2fdi s PRO 151 Cb -0.37 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.90 2fdi s PRO 151 CO 0.43 -0.37 -0.04 0.00 0.04 0.00 0.00 177.00 177.06 2fdi s ALA 152 N -1.84 0.29 -0.35 8.56 0.00 -0.66 -4.59 121.76 123.17 2fdi s ALA 152 Ca 0.64 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.67 2fdi s ALA 152 Cb -0.19 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2fdi s ALA 152 CO 0.23 -0.17 0.59 0.42 0.00 0.00 0.00 175.76 176.84 2fdi s ILE 153 N -1.89 4.93 -0.23 0.00 1.01 -1.26 -0.81 121.20 122.96 2fdi s ILE 153 Ca -0.10 0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.89 2fdi s ILE 153 Cb -0.07 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2fdi s ILE 153 CO -0.02 -0.28 0.40 0.12 0.00 0.00 0.00 174.94 175.15 2fdi s PHE 154 N 2.60 3.33 0.03 3.97 5.36 0.91 -1.36 117.98 132.81 2fdi s PHE 154 Ca 0.22 0.56 0.07 0.00 -0.96 0.00 0.00 56.93 56.82 2fdi s PHE 154 Cb -0.15 -2.55 -0.03 0.00 -0.34 0.00 0.00 43.02 39.95 2fdi s PHE 154 CO 0.14 -0.10 -0.21 1.14 -1.46 0.00 0.00 175.22 174.74 2fdi s GLN 155 N 1.62 2.03 0.03 10.12 -2.07 -0.57 -0.16 119.66 130.66 2fdi s GLN 155 Ca 0.18 -0.99 -0.11 0.00 -1.82 0.00 0.00 55.36 52.63 2fdi s GLN 155 Cb -0.15 -2.13 0.01 0.00 -1.09 0.00 0.00 33.01 29.64 2fdi s GLN 155 CO 0.08 0.54 0.22 -0.59 -1.32 0.00 0.00 175.29 174.22 2fdi s PHE 156 N -0.85 -0.01 0.00 9.60 -0.12 -0.65 -0.88 117.98 125.08 2fdi s PHE 156 Ca 0.13 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 2fdi s PHE 156 Cb -0.10 0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.29 2fdi s PHE 156 CO 0.03 -0.41 0.00 0.41 -0.05 0.00 0.00 175.22 175.20 2fdi n GLY 157 N 0.89 1.61 0.00 1.99 0.00 -0.04 -0.61 105.19 109.03 2fdi n GLY 157 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2fdi n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdi n GLY 158 N 5.00 5.93 0.27 -0.02 0.00 -1.26 -4.68 105.19 110.43 2fdi n GLY 158 Ca 0.00 -1.61 0.18 0.00 0.00 0.00 0.00 46.02 44.60 2fdi n GLY 158 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2fdi h LEU 159 N 0.00 0.00 -9.40 0.99 -0.00 -1.94 -2.93 115.31 102.03 2fdi h LEU 159 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 57.88 57.26 2fdi h LEU 159 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.53 2fdi h LEU 159 CO 0.00 0.00 -0.69 -0.54 -0.00 0.00 0.00 178.44 177.21 2fdi s LYS 160 N -3.81 2.23 0.39 0.17 1.02 -1.26 -4.90 119.74 113.58 2fdi s LYS 160 Ca -0.01 -1.18 0.28 0.00 0.02 0.00 0.00 55.97 55.08 2fdi s LYS 160 Cb 0.10 -2.26 1.28 0.00 -0.52 0.00 0.00 37.83 36.43 2fdi s LYS 160 CO 0.44 0.45 1.84 -0.09 -0.92 0.00 0.00 175.35 177.07 2fdi h ARG 161 N 2.85 0.00 -0.49 1.68 2.43 -2.00 -3.03 114.38 115.81 2fdi h ARG 161 Ca -0.47 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.37 2fdi h ARG 161 Cb 1.20 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.53 2fdi h ARG 161 CO 0.56 0.00 -0.34 0.09 -1.51 0.00 0.00 179.97 178.77 2fdi n ASN 162 N -2.54 3.75 -4.92 -3.80 4.13 -1.26 -5.01 115.26 105.61 2fdi n ASN 162 Ca 0.00 -3.80 -0.26 0.00 1.68 0.00 0.00 54.58 52.20 2fdi n ASN 162 Cb 0.19 -0.54 -0.02 0.00 -1.54 0.00 0.00 39.78 37.87 2fdi n ASN 162 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2fdi s ASP 163 N -3.00 6.35 -0.20 6.41 -0.00 -1.15 -5.00 116.67 120.09 2fdi s ASP 163 Ca 0.48 0.62 -0.39 0.00 -0.00 0.00 0.00 52.55 53.26 2fdi s ASP 163 Cb 0.41 -2.11 -0.15 0.00 -0.00 0.00 0.00 42.92 41.07 2fdi s ASP 163 CO -0.00 -0.30 1.69 -2.65 -0.00 0.00 0.00 175.17 173.91 2fdi n PRO 164 N -1.52 1.24 -3.07 8.23 -0.02 -1.26 -4.58 135.00 134.02 2fdi n PRO 164 Ca -0.03 0.45 -0.40 0.00 -2.02 0.00 0.00 63.50 61.51 2fdi n PRO 164 Cb 0.55 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 2fdi n PRO 164 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fdi s LEU 165 N 3.05 4.34 0.18 2.45 1.43 -1.26 -4.41 118.68 124.45 2fdi s LEU 165 Ca 0.95 1.19 0.07 0.00 -1.03 0.00 0.00 54.13 55.31 2fdi s LEU 165 Cb -1.02 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 2fdi s LEU 165 CO 0.61 -0.08 0.02 -0.54 0.23 0.00 0.00 176.35 176.60 2fdi s LYS 166 N 0.61 2.47 -0.04 1.70 1.02 0.22 -4.92 119.74 120.81 2fdi s LYS 166 Ca 0.36 -1.09 0.06 0.00 0.02 0.00 0.00 55.97 55.32 2fdi s LYS 166 Cb -0.18 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 2fdi s LYS 166 CO 0.18 0.46 -0.20 1.03 -0.92 0.00 0.00 175.35 175.89 2fdi s ARG 167 N -3.00 2.32 -0.04 1.68 0.52 -1.26 -1.63 118.95 117.55 2fdi s ARG 167 Ca 0.28 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 2fdi s ARG 167 Cb -0.09 -2.21 0.03 0.00 0.52 0.00 0.00 34.95 33.19 2fdi s ARG 167 CO 0.19 0.59 0.05 -0.51 0.02 0.00 0.00 175.30 175.64 2fdi s LEU 168 N -0.65 0.36 0.07 2.53 1.43 0.78 -4.98 118.68 118.22 2fdi s LEU 168 Ca 0.10 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 2fdi s LEU 168 Cb -0.10 -0.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 2fdi s LEU 168 CO -0.00 -0.22 0.99 -0.22 0.23 0.00 0.00 176.35 177.12 2fdi s LEU 169 N 1.91 4.44 -0.17 1.79 2.96 -1.26 -0.06 118.68 128.29 2fdi s LEU 169 Ca 0.02 1.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.68 2fdi s LEU 169 Cb -0.12 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 2fdi s LEU 169 CO -0.03 -0.17 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.95 2fdi s LEU 170 N 0.42 2.61 0.48 -0.68 1.43 0.01 -4.93 118.68 118.03 2fdi s LEU 170 Ca 0.50 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 2fdi s LEU 170 Cb -0.23 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2fdi s LEU 170 CO 0.29 0.07 0.15 -1.61 0.23 0.00 0.00 176.35 175.48 2fdi s GLU 171 N 0.93 2.19 -0.13 1.70 2.02 -1.26 -1.65 118.70 122.50 2fdi s GLU 171 Ca -0.02 -2.13 -0.38 0.00 0.02 0.00 0.00 54.97 52.46 2fdi s GLU 171 Cb -0.15 -1.80 -0.15 0.00 0.10 0.00 0.00 34.13 32.13 2fdi s GLU 171 CO -0.01 -0.32 1.68 1.58 0.02 0.00 0.00 175.26 178.21 2fdi n HIS 172 N -1.34 2.02 -0.07 1.61 -0.00 -1.24 -1.12 115.22 115.08 2fdi n HIS 172 Ca -0.08 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 2fdi n HIS 172 Cb 0.66 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 2fdi n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fdi n GLY 173 N 3.84 1.29 3.71 1.57 0.00 0.80 -4.53 105.19 111.86 2fdi n GLY 173 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2fdi n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fdi s ASP 174 N -2.94 6.85 -0.07 1.61 -0.00 -0.27 -0.38 116.67 121.47 2fdi s ASP 174 Ca 0.00 2.25 0.05 0.00 -0.00 0.00 0.00 52.55 54.85 2fdi s ASP 174 Cb 0.00 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.33 2fdi s ASP 174 CO 0.00 -0.65 -0.24 -0.69 -0.00 0.00 0.00 175.17 173.59 2fdi s VAL 175 N 1.40 2.02 -0.05 -1.27 1.01 -0.68 -0.92 120.40 121.91 2fdi s VAL 175 Ca 0.64 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2fdi s VAL 175 Cb -0.35 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2fdi s VAL 175 CO 0.29 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 175.16 2fdi s VAL 176 N -0.02 0.97 -0.42 2.92 1.01 -0.36 0.53 120.40 125.03 2fdi s VAL 176 Ca -0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 2fdi s VAL 176 Cb -0.15 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.40 2fdi s VAL 176 CO 0.05 0.31 0.29 -0.69 0.00 0.00 0.00 175.10 175.06 2fdi s VAL 177 N 0.54 4.69 -0.76 2.92 1.01 0.38 -0.63 120.40 128.55 2fdi s VAL 177 Ca -0.10 -1.09 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 2fdi s VAL 177 Cb -0.14 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2fdi s VAL 177 CO 0.02 -0.43 1.05 0.26 0.00 0.00 0.00 175.10 176.00 2fdi s TRP 178 N 1.54 2.77 0.45 5.22 0.52 0.20 -0.99 118.94 128.64 2fdi s TRP 178 Ca 0.03 -0.77 0.02 0.00 0.02 0.00 0.00 56.10 55.40 2fdi s TRP 178 Cb -0.22 -4.33 -0.01 0.00 -1.15 0.00 0.00 33.47 27.76 2fdi s TRP 178 CO 0.05 -1.64 0.08 0.41 0.02 0.00 0.00 176.95 175.87 2fdi n GLY 179 N 5.47 3.40 7.00 0.98 0.00 -1.11 -1.75 105.19 119.18 2fdi n GLY 179 Ca 0.06 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2fdi n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdi n GLY 180 N -0.86 2.96 0.30 -0.02 0.00 -1.26 -2.85 105.19 103.45 2fdi n GLY 180 Ca -0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 2fdi n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fdi h GLU 181 N 0.00 0.97 -0.07 1.61 4.81 -1.90 -2.73 114.58 117.27 2fdi h GLU 181 Ca 0.00 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 2fdi h GLU 181 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2fdi h GLU 181 CO 0.00 0.93 0.09 0.66 -0.73 0.00 0.00 179.01 179.96 2fdi h SER 182 N 0.90 0.00 0.04 1.04 4.64 -1.05 -1.61 113.55 117.52 2fdi h SER 182 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2fdi h SER 182 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2fdi h SER 182 CO 0.02 0.00 -0.01 -0.09 -0.87 0.00 0.00 176.83 175.88 2fdi h ARG 183 N 0.00 0.00 -0.41 4.77 9.65 -1.41 -2.34 114.38 124.64 2fdi h ARG 183 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2fdi h ARG 183 Cb 0.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2fdi h ARG 183 CO -0.00 0.01 0.00 1.28 2.80 0.00 0.00 179.97 184.06 2fdi n LEU 184 N -3.77 3.09 -4.78 3.80 4.77 -0.60 -4.71 117.00 114.81 2fdi n LEU 184 Ca -0.03 -1.91 -0.37 0.00 -0.03 0.00 0.00 56.01 53.67 2fdi n LEU 184 Cb 0.10 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 2fdi n LEU 184 CO 0.27 0.76 0.76 -0.36 -1.33 0.00 0.00 177.39 177.49 2fdi s PHE 185 N -1.02 3.21 0.29 -1.77 2.99 -0.88 -4.67 117.98 116.13 2fdi s PHE 185 Ca 0.28 1.62 -0.29 0.00 0.00 0.00 0.00 56.93 58.55 2fdi s PHE 185 Cb 0.15 -3.19 -0.10 0.00 0.00 0.00 0.00 43.02 39.88 2fdi s PHE 185 CO 0.20 -0.80 1.17 0.71 -0.00 0.00 0.00 175.22 176.50 2fdi s TYR 186 N -1.59 3.40 0.24 0.36 2.02 -1.10 -4.66 117.35 116.00 2fdi s TYR 186 Ca 0.58 1.59 -0.15 0.00 -0.37 0.00 0.00 57.07 58.72 2fdi s TYR 186 Cb -0.24 -3.42 0.01 0.00 -0.40 0.00 0.00 41.96 37.90 2fdi s TYR 186 CO 0.30 -1.02 0.53 -3.38 -1.57 0.00 0.00 175.55 170.41 2fdi s HIS 187 N -1.10 0.16 0.05 2.71 -3.43 0.05 -0.86 115.29 112.87 2fdi s HIS 187 Ca 0.46 -0.54 -0.11 0.00 -0.80 0.00 0.00 55.06 54.07 2fdi s HIS 187 Cb -0.35 0.32 0.04 0.00 -1.43 0.00 0.00 32.58 31.16 2fdi s HIS 187 CO 0.45 -1.02 0.53 0.41 -2.00 0.00 0.00 174.74 173.11 2fdi n GLY 188 N -0.38 0.76 2.99 -1.38 0.00 -0.06 -0.83 105.19 106.28 2fdi n GLY 188 Ca -0.04 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 2fdi n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fdi s ILE 189 N -2.23 0.96 0.68 -0.61 -1.09 -0.18 -1.52 121.20 117.22 2fdi s ILE 189 Ca 0.12 -0.38 -0.12 0.00 -2.23 0.00 0.00 60.65 58.04 2fdi s ILE 189 Cb -0.01 -0.90 0.00 0.00 -1.58 0.00 0.00 42.46 39.98 2fdi s ILE 189 CO 0.01 0.32 1.06 -1.10 -1.23 0.00 0.00 174.94 174.00 2fdi s GLN 190 N 0.70 2.93 -0.07 2.79 -0.21 -0.47 -1.62 119.66 123.73 2fdi s GLN 190 Ca -0.13 1.05 -0.39 0.00 0.02 0.00 0.00 55.36 55.90 2fdi s GLN 190 Cb -0.15 -1.99 -0.17 0.00 1.00 0.00 0.00 33.01 31.70 2fdi s GLN 190 CO 0.03 -1.11 1.43 -2.30 -2.12 0.00 0.00 175.29 171.22 2fdi n PRO 191 N -2.92 0.90 -1.95 2.91 -0.02 -1.26 -4.63 135.00 128.04 2fdi n PRO 191 Ca 0.08 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 2fdi n PRO 191 Cb 0.53 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 2fdi n PRO 191 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fdi s LEU 192 N 1.42 4.35 0.30 2.45 2.96 -0.32 -4.77 118.68 125.06 2fdi s LEU 192 Ca 0.91 2.34 -0.29 0.00 -0.22 0.00 0.00 54.13 56.87 2fdi s LEU 192 Cb -1.07 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 41.98 2fdi s LEU 192 CO 0.56 -0.94 1.23 -0.75 -1.32 0.00 0.00 176.35 175.14 2fdi s LYS 193 N 3.86 4.46 0.69 1.98 2.20 -1.26 -0.01 119.74 131.66 2fdi s LYS 193 Ca 0.76 2.05 -0.17 0.00 -0.36 0.00 0.00 55.97 58.25 2fdi s LYS 193 Cb -0.36 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2fdi s LYS 193 CO 0.32 -0.05 1.26 0.00 -0.36 0.00 0.00 175.35 176.52 2fdi s ALA 194 N -1.02 2.23 0.00 3.13 0.00 -1.26 -4.85 121.76 119.99 2fdi s ALA 194 Ca 0.48 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2fdi s ALA 194 Cb -0.37 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2fdi s ALA 194 CO 0.47 -1.77 0.00 0.41 0.00 0.00 0.00 175.76 174.87 2fdi n GLY 195 N 0.73 -1.41 3.02 0.00 0.00 -1.26 -5.12 105.19 101.14 2fdi n GLY 195 Ca 0.15 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 2fdi n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fdi s PHE 196 N -2.74 0.80 -0.03 1.61 5.36 -1.26 -4.52 117.98 117.21 2fdi s PHE 196 Ca 0.00 -0.16 0.01 0.00 -0.96 0.00 0.00 56.93 55.82 2fdi s PHE 196 Cb 0.00 -0.52 0.02 0.00 -0.34 0.00 0.00 43.02 42.18 2fdi s PHE 196 CO 0.00 -0.01 -0.02 -1.58 -1.46 0.00 0.00 175.22 172.14 2fdi s HIS 197 N -0.24 0.44 0.43 10.12 5.65 -0.25 -4.96 115.29 126.48 2fdi s HIS 197 Ca 0.03 -0.07 0.19 0.00 0.25 0.00 0.00 55.06 55.46 2fdi s HIS 197 Cb -0.04 -0.43 1.11 0.00 -1.18 0.00 0.00 32.58 32.05 2fdi s HIS 197 CO -0.00 -0.11 1.86 -1.35 -0.65 0.00 0.00 174.74 174.48 2fdi h PRO 198 N 6.90 0.36 0.00 2.88 0.11 -1.94 0.53 132.00 140.85 2fdi h PRO 198 Ca -0.38 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.43 2fdi h PRO 198 Cb 1.15 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 2fdi h PRO 198 CO 0.48 0.24 -1.88 1.28 -0.21 0.00 0.00 178.00 177.92 2fdi n LEU 199 N -4.50 0.57 -0.14 2.35 4.77 -1.26 -4.49 117.00 114.30 2fdi n LEU 199 Ca 0.19 0.26 0.03 0.00 -0.03 0.00 0.00 56.01 56.47 2fdi n LEU 199 Cb 0.72 0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2fdi n LEU 199 CO 0.31 0.37 0.18 0.35 -1.33 0.00 0.00 177.39 177.27 2fdi n THR 200 N -2.90 0.00 0.00 -5.08 -2.24 -1.14 -5.05 114.28 97.87 2fdi n THR 200 Ca -0.20 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2fdi n THR 200 Cb 1.03 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 2fdi n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2fdi n ILE 201 N -0.34 0.00 -1.48 2.28 2.08 0.19 -3.31 119.36 118.78 2fdi n ILE 201 Ca 0.03 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.38 2fdi n ILE 201 Cb 0.13 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 39.08 2fdi n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2fdi n ASP 202 N 3.24 1.06 -3.79 4.38 3.85 -1.25 -1.09 116.55 122.95 2fdi n ASP 202 Ca 0.00 -2.41 -0.19 0.00 -0.71 0.00 0.00 54.79 51.48 2fdi n ASP 202 Cb 0.00 -0.28 -0.09 0.00 -1.35 0.00 0.00 41.12 39.40 2fdi n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2fdi s ARG 204 N -3.69 1.53 0.08 0.00 3.52 -0.49 -2.45 118.95 117.45 2fdi s ARG 204 Ca 0.36 -0.94 0.09 0.00 -0.13 0.00 0.00 55.73 55.12 2fdi s ARG 204 Cb 0.04 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.78 2fdi s ARG 204 CO 0.20 0.42 -0.24 0.71 -0.81 0.00 0.00 175.30 175.58 2fdi s TYR 205 N -0.74 2.39 -0.04 5.12 1.51 0.42 -0.01 117.35 125.99 2fdi s TYR 205 Ca 0.08 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2fdi s TYR 205 Cb -0.09 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2fdi s TYR 205 CO 0.01 0.26 0.09 1.21 -1.11 0.00 0.00 175.55 176.01 2fdi s ASN 206 N -1.69 0.02 -0.10 2.29 3.84 -0.17 -0.60 114.94 118.53 2fdi s ASN 206 Ca 0.14 0.17 -0.01 0.00 0.21 0.00 0.00 52.86 53.36 2fdi s ASN 206 Cb -0.10 0.06 -0.03 0.00 -0.55 0.00 0.00 41.25 40.63 2fdi s ASN 206 CO 0.05 -0.14 -0.04 -0.76 -2.79 0.00 0.00 177.10 173.42 2fdi s LEU 207 N 1.17 3.29 -0.15 3.21 1.43 0.05 -0.37 118.68 127.33 2fdi s LEU 207 Ca -0.09 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2fdi s LEU 207 Cb -0.12 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.38 2fdi s LEU 207 CO -0.04 0.30 -0.04 0.42 0.23 0.00 0.00 176.35 177.22 2fdi s THR 208 N -0.42 0.94 -0.04 5.49 -4.23 -0.44 -0.25 115.64 116.68 2fdi s THR 208 Ca 0.07 -0.47 -0.20 0.00 -1.18 0.00 0.00 61.69 59.90 2fdi s THR 208 Cb -0.12 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.54 2fdi s THR 208 CO 0.02 0.14 0.58 -0.36 -0.54 0.00 0.00 174.62 174.47 2fdi s PHE 209 N 1.71 3.63 0.05 3.99 0.40 0.48 -1.64 117.98 126.60 2fdi s PHE 209 Ca 0.02 1.14 0.01 0.00 -0.60 0.00 0.00 56.93 57.49 2fdi s PHE 209 Cb -0.15 -2.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 2fdi s PHE 209 CO -0.07 0.28 -0.05 1.03 0.70 0.00 0.00 175.22 177.11 2fdi s ARG 210 N 0.10 0.53 -0.61 0.44 3.00 -0.06 -2.39 118.95 119.96 2fdi s ARG 210 Ca 0.31 -0.93 -0.14 0.00 0.00 0.00 0.00 55.73 54.97 2fdi s ARG 210 Cb -0.17 -0.01 0.15 0.00 0.00 0.00 0.00 34.95 34.91 2fdi s ARG 210 CO 0.16 -0.04 0.54 -0.65 0.00 0.00 0.00 175.30 175.31 2fdi s GLN 211 N -2.55 3.05 -0.05 3.54 -0.21 -1.26 -1.49 119.66 120.69 2fdi s GLN 211 Ca -0.04 -1.95 0.21 0.00 0.02 0.00 0.00 55.36 53.61 2fdi s GLN 211 Cb -0.03 -4.25 -0.30 0.00 1.00 0.00 0.00 33.01 29.43 2fdi s GLN 211 CO -0.04 -1.29 0.45 0.00 -2.12 0.00 0.00 175.29 172.29 2fdi n ALA 212 N 4.80 2.55 -1.27 6.09 0.00 -1.26 -4.43 120.51 126.99 2fdi n ALA 212 Ca -0.05 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.44 2fdi n ALA 212 Cb 0.42 -0.68 0.10 0.00 0.00 0.00 0.00 19.45 19.29 2fdi n ALA 212 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fdi s GLY 213 N -4.68 1.66 0.00 0.00 0.00 -1.26 -4.37 107.32 98.67 2fdi s GLY 213 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.83 2fdi s GLY 213 CO 0.89 0.56 0.00 0.58 0.00 0.00 0.00 173.10 175.13