#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e s SER 2 N 0.00 2.99 0.29 1.61 0.15 -1.26 -5.11 113.70 112.37 1x5e s SER 2 Ca 0.00 -0.87 -0.30 0.00 0.70 0.00 0.00 55.95 55.48 1x5e s SER 2 Cb 0.00 -0.20 -0.12 0.00 -1.71 0.00 0.00 66.02 63.99 1x5e s SER 2 CO 0.00 0.03 1.60 -0.24 1.20 0.00 0.00 173.24 175.82 1x5e n SER 3 N 0.25 3.84 -4.66 5.45 2.88 -1.26 -4.92 113.62 115.20 1x5e n SER 3 Ca -0.13 1.14 -0.43 0.00 -1.33 0.00 0.00 58.87 58.13 1x5e n SER 3 Cb 0.57 -1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.42 1x5e n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5e s GLY 4 N 0.53 1.65 -0.26 0.46 0.00 -1.26 -5.00 107.32 103.44 1x5e s GLY 4 Ca 0.65 0.58 0.03 0.00 0.00 0.00 0.00 44.72 45.97 1x5e s GLY 4 CO 0.48 2.59 -0.11 -0.45 0.00 0.00 0.00 173.10 175.61 1x5e s SER 5 N 2.22 4.46 -0.10 1.64 0.15 -1.26 -4.98 113.70 115.82 1x5e s SER 5 Ca 0.59 -1.39 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 1x5e s SER 5 Cb -0.25 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1x5e s SER 5 CO 0.18 -0.19 -0.22 -0.24 1.20 0.00 0.00 173.24 173.97 1x5e n SER 6 N 4.44 1.33 -4.53 5.45 2.88 -1.26 -4.88 113.62 117.06 1x5e n SER 6 Ca -0.14 0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 57.20 1x5e n SER 6 Cb 0.42 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.23 1x5e n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5e s GLY 7 N -4.30 1.07 0.55 0.46 0.00 -1.26 -4.86 107.32 98.97 1x5e s GLY 7 Ca -0.18 -1.40 0.22 0.00 0.00 0.00 0.00 44.72 43.36 1x5e s GLY 7 CO 0.27 2.45 2.18 3.43 0.00 0.00 0.00 173.10 181.43 1x5e h ASN 8 N 9.81 0.00 -3.27 1.64 4.21 -1.90 -3.40 115.58 122.67 1x5e h ASN 8 Ca -0.28 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.65 1x5e h ASN 8 Cb 1.06 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.19 1x5e h ASN 8 CO 1.23 0.00 -0.13 -0.69 -1.29 0.00 0.00 177.43 176.55 1x5e s VAL 9 N -4.88 5.11 0.08 2.81 1.01 -1.26 -4.52 120.40 118.75 1x5e s VAL 9 Ca -0.05 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 1x5e s VAL 9 Cb 0.16 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1x5e s VAL 9 CO 0.62 0.39 0.23 -0.13 0.00 0.00 0.00 175.10 176.21 1x5e s ARG 10 N 0.16 3.46 -0.38 2.72 1.81 0.14 -4.94 118.95 121.93 1x5e s ARG 10 Ca 0.26 -0.42 -0.13 0.00 -1.72 0.00 0.00 55.73 53.72 1x5e s ARG 10 Cb -0.16 -3.01 0.01 0.00 -0.45 0.00 0.00 34.95 31.34 1x5e s ARG 10 CO 0.12 0.59 0.25 0.08 -0.68 0.00 0.00 175.30 175.66 1x5e s VAL 11 N -1.55 5.04 -0.06 3.52 1.01 -1.26 -0.67 120.40 126.43 1x5e s VAL 11 Ca 0.36 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1x5e s VAL 11 Cb -0.13 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1x5e s VAL 11 CO 0.28 -0.20 0.30 -0.63 0.00 0.00 0.00 175.10 174.85 1x5e s ILE 12 N 1.65 5.22 0.15 2.22 -1.09 -1.23 -4.96 121.20 123.16 1x5e s ILE 12 Ca 0.04 0.59 0.01 0.00 -2.23 0.00 0.00 60.65 59.07 1x5e s ILE 12 Cb -0.19 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1x5e s ILE 12 CO 0.09 0.58 0.03 0.35 -1.23 0.00 0.00 174.94 174.76 1x5e n THR 13 N 2.02 0.00 0.79 2.92 -2.24 -1.26 -4.82 114.28 111.69 1x5e n THR 13 Ca -0.16 -0.83 0.07 0.00 -2.27 0.00 0.00 64.05 60.86 1x5e n THR 13 Cb 0.53 0.25 0.38 0.00 -2.10 0.00 0.00 70.33 69.40 1x5e n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5e n ASP 14 N -1.63 0.00 -0.03 3.42 8.00 -1.26 -1.25 116.55 123.80 1x5e n ASP 14 Ca -0.04 -0.30 -0.05 0.00 0.71 0.00 0.00 54.79 55.11 1x5e n ASP 14 Cb 0.22 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x5e n GLU 15 N -1.07 0.13 0.13 -1.24 4.07 -1.26 -4.69 120.64 116.72 1x5e n GLU 15 Ca 0.09 0.04 -0.01 0.00 -0.06 0.00 0.00 57.16 57.22 1x5e n GLU 15 Cb 0.06 -0.93 0.23 0.00 -0.06 0.00 0.00 31.44 30.73 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1x5e h ASN 16 N -0.09 0.11 -0.89 4.31 4.21 -1.91 -3.20 115.58 118.12 1x5e h ASN 16 Ca -0.13 -0.05 0.29 0.00 1.21 0.00 0.00 56.30 57.61 1x5e h ASN 16 Cb 1.16 -0.03 -0.16 0.00 -1.12 0.00 0.00 38.32 38.17 1x5e h ASN 16 CO -0.05 0.59 0.18 -2.67 -1.29 0.00 0.00 177.43 174.18 1x5e n TRP 17 N -3.95 0.73 -0.29 1.19 4.27 -0.38 0.13 117.44 119.14 1x5e n TRP 17 Ca -0.02 1.06 0.11 0.00 -3.89 0.00 0.00 57.50 54.77 1x5e n TRP 17 Cb 0.52 -1.27 0.26 0.00 -1.36 0.00 0.00 31.31 29.47 1x5e n TRP 17 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h ARG 18 N 0.00 0.22 -1.03 -2.67 3.08 -1.84 0.53 114.38 112.67 1x5e h ARG 18 Ca 0.61 -0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.92 1x5e h ARG 18 Cb 1.41 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 31.34 1x5e h ARG 18 CO -0.78 0.14 0.69 0.93 -1.07 0.00 0.00 179.97 179.88 1x5e h GLU 19 N 0.22 0.28 -0.61 0.04 4.39 0.80 0.40 114.58 120.10 1x5e h GLU 19 Ca 0.52 -0.02 0.17 0.00 0.34 0.00 0.00 59.36 60.37 1x5e h GLU 19 Cb 1.00 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1x5e h GLU 19 CO -0.62 0.19 0.44 -0.07 -1.16 0.00 0.00 179.01 177.78 1x5e h LEU 20 N 0.29 0.04 -2.22 1.33 3.38 -0.02 0.22 115.31 118.33 1x5e h LEU 20 Ca 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 1x5e h LEU 20 Cb 1.60 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1x5e h LEU 20 CO -0.20 0.02 -0.02 -0.07 0.09 0.00 0.00 178.44 178.26 1x5e h LEU 21 N 0.04 0.00 -9.44 1.67 3.38 -0.29 -3.36 115.31 107.31 1x5e h LEU 21 Ca 0.29 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.59 1x5e h LEU 21 Cb 1.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1x5e h LEU 21 CO -0.01 0.02 -0.55 -1.83 0.09 0.00 0.00 178.44 176.15 1x5e s GLU 22 N -4.74 3.25 1.16 1.13 -1.05 0.78 -0.27 118.70 118.96 1x5e s GLU 22 Ca -0.05 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1x5e s GLU 22 Cb 0.16 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 1x5e s GLU 22 CO 0.60 0.71 0.00 0.41 0.95 0.00 0.00 175.26 177.93 1x5e n GLY 23 N 2.15 -1.43 3.71 -3.83 0.00 -1.26 -4.70 105.19 99.82 1x5e n GLY 23 Ca -0.19 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1x5e n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5e s ASP 24 N -5.53 6.64 -0.08 1.61 1.01 -1.26 -2.78 116.67 116.29 1x5e s ASP 24 Ca 0.00 0.77 0.00 0.00 0.71 0.00 0.00 52.55 54.03 1x5e s ASP 24 Cb 0.00 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1x5e s ASP 24 CO 0.00 -0.05 -0.06 0.26 0.21 0.00 0.00 175.17 175.53 1x5e s TRP 25 N 0.90 1.12 -0.42 4.23 0.52 0.52 -1.91 118.94 123.89 1x5e s TRP 25 Ca 0.25 -0.44 -0.16 0.00 0.02 0.00 0.00 56.10 55.77 1x5e s TRP 25 Cb -0.15 -0.96 0.02 0.00 -1.15 0.00 0.00 33.47 31.23 1x5e s TRP 25 CO 0.10 -0.34 0.37 -1.64 0.02 0.00 0.00 176.95 175.46 1x5e s MET 26 N 1.34 3.03 0.02 4.98 -1.94 0.74 -0.64 119.30 126.84 1x5e s MET 26 Ca -0.03 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 1x5e s MET 26 Cb -0.14 -3.98 -0.04 0.00 2.01 0.00 0.00 34.83 32.68 1x5e s MET 26 CO -0.03 -0.82 0.10 0.42 -0.01 0.00 0.00 175.02 174.69 1x5e s ILE 27 N 1.90 4.82 -0.17 2.53 1.01 0.65 -0.23 121.20 131.72 1x5e s ILE 27 Ca 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 1x5e s ILE 27 Cb -0.18 -3.25 0.08 0.00 0.01 0.00 0.00 42.46 39.11 1x5e s ILE 27 CO 0.12 0.27 0.24 -1.83 0.00 0.00 0.00 174.94 173.73 1x5e s GLU 28 N -1.99 0.17 -0.17 2.79 4.04 -1.22 -0.21 118.70 122.10 1x5e s GLU 28 Ca 0.26 0.44 -0.27 0.00 0.04 0.00 0.00 54.97 55.45 1x5e s GLU 28 Cb -0.12 -0.67 -0.01 0.00 0.02 0.00 0.00 34.13 33.35 1x5e s GLU 28 CO 0.18 -0.49 0.90 -0.06 -1.84 0.00 0.00 175.26 173.94 1x5e s PHE 29 N 2.37 3.42 0.39 4.83 0.40 -0.49 -2.54 117.98 126.35 1x5e s PHE 29 Ca 0.05 1.35 0.04 0.00 -0.60 0.00 0.00 56.93 57.77 1x5e s PHE 29 Cb -0.14 -3.09 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 1x5e s PHE 29 CO -0.10 -0.29 0.06 1.52 0.70 0.00 0.00 175.22 177.11 1x5e s TYR 30 N 2.34 1.97 -0.07 0.36 -0.85 -1.07 -2.09 117.35 117.94 1x5e s TYR 30 Ca 0.41 -1.01 -0.05 0.00 -0.52 0.00 0.00 57.07 55.89 1x5e s TYR 30 Cb -0.17 -1.36 0.02 0.00 0.38 0.00 0.00 41.96 40.84 1x5e s TYR 30 CO 0.12 0.01 0.17 0.00 -1.52 0.00 0.00 175.55 174.34 1x5e s ALA 31 N -3.13 -0.41 0.14 9.51 0.00 -1.26 -3.21 121.76 123.40 1x5e s ALA 31 Ca 0.28 0.57 0.32 0.00 0.00 0.00 0.00 51.96 53.13 1x5e s ALA 31 Cb 0.06 -0.35 1.34 0.00 0.00 0.00 0.00 23.12 24.18 1x5e s ALA 31 CO 0.14 -0.11 1.98 -1.00 0.00 0.00 0.00 175.76 176.77 1x5e h PRO 32 N 6.26 0.00 0.00 0.00 0.13 -1.99 -2.79 132.00 133.60 1x5e h PRO 32 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1x5e h PRO 32 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x5e h PRO 32 CO 0.40 0.04 -1.57 -2.67 -0.23 0.00 0.00 178.00 173.97 1x5e n TRP 33 N -3.16 0.13 -2.68 1.56 4.27 -1.26 -4.91 117.44 111.38 1x5e n TRP 33 Ca 0.00 0.04 -0.42 0.00 -3.89 0.00 0.00 57.50 53.23 1x5e n TRP 33 Cb 0.31 -0.44 -0.03 0.00 -1.36 0.00 0.00 31.31 29.80 1x5e n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5e h PRO 35 N 7.08 -0.06 -0.67 0.00 0.13 -1.91 -3.23 132.00 133.34 1x5e h PRO 35 Ca -0.32 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.92 1x5e h PRO 35 Cb 1.15 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1x5e h PRO 35 CO 0.85 0.40 0.28 0.00 -0.23 0.00 0.00 178.00 179.30 1x5e h ALA 36 N 0.36 0.91 -0.78 -0.56 0.00 -1.93 0.12 119.26 117.39 1x5e h ALA 36 Ca -0.01 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1x5e h ALA 36 Cb 0.49 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1x5e h ALA 36 CO 0.01 -0.15 0.53 0.00 0.00 0.00 0.00 179.25 179.64 1x5e h GLN 38 N 0.28 0.00 -0.01 0.00 1.08 -0.98 -0.78 115.11 114.70 1x5e h GLN 38 Ca 0.38 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.46 1x5e h GLN 38 Cb 1.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 1x5e h GLN 38 CO -0.10 0.17 -0.58 -0.97 -0.95 0.00 0.00 178.83 176.40 1x5e h ASN 39 N 0.00 0.03 0.92 1.46 -0.73 -0.41 -3.07 115.58 113.77 1x5e h ASN 39 Ca -0.00 -0.01 -0.17 0.00 1.87 0.00 0.00 56.30 57.99 1x5e h ASN 39 Cb 0.33 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.89 1x5e h ASN 39 CO 0.02 0.60 -1.16 0.25 -0.37 0.00 0.00 177.43 176.77 1x5e h LEU 40 N 0.02 0.00 -0.99 0.34 5.85 -1.30 -3.34 115.31 115.89 1x5e h LEU 40 Ca -0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1x5e h LEU 40 Cb 1.03 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.92 1x5e h LEU 40 CO 0.08 0.65 -0.49 1.56 -0.34 0.00 0.00 178.44 179.90 1x5e h GLN 41 N 0.00 -0.01 -0.16 1.25 1.08 -1.07 0.32 115.11 116.52 1x5e h GLN 41 Ca -0.12 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 1x5e h GLN 41 Cb 1.60 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.03 1x5e h GLN 41 CO 0.06 -0.00 -0.16 -1.00 -0.95 0.00 0.00 178.83 176.78 1x5e h PRO 42 N -0.01 0.39 -0.98 1.46 0.13 -1.73 -3.10 132.00 128.16 1x5e h PRO 42 Ca 0.25 -0.20 0.18 0.00 -0.87 0.00 0.00 66.00 65.36 1x5e h PRO 42 Cb 0.51 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.55 1x5e h PRO 42 CO -0.96 0.76 0.61 0.93 -0.23 0.00 0.00 178.00 179.12 1x5e h GLU 43 N 0.04 0.71 -0.21 0.86 3.07 -1.32 -0.94 114.58 116.79 1x5e h GLU 43 Ca 0.03 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 1x5e h GLU 43 Cb 0.69 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 1x5e h GLU 43 CO 0.04 0.47 0.06 2.35 -1.40 0.00 0.00 179.01 180.53 1x5e h TRP 44 N 0.73 0.34 0.23 4.33 2.91 -0.40 -2.53 115.95 121.56 1x5e h TRP 44 Ca 0.54 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.53 1x5e h TRP 44 Cb 0.87 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.39 1x5e h TRP 44 CO -0.00 0.43 -0.38 0.93 -1.03 0.00 0.00 178.44 178.39 1x5e h GLU 45 N 0.16 -0.66 -0.19 2.65 5.08 -1.12 0.14 114.58 120.63 1x5e h GLU 45 Ca 0.07 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1x5e h GLU 45 Cb 0.26 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1x5e h GLU 45 CO -0.00 -0.44 0.27 0.77 -1.00 0.00 0.00 179.01 178.62 1x5e h SER 46 N -0.68 0.00 0.01 1.42 0.02 -1.40 -2.52 113.55 110.40 1x5e h SER 46 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x5e h SER 46 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1x5e h SER 46 CO -0.16 0.00 -0.01 0.15 -1.14 0.00 0.00 176.83 175.68 1x5e h PHE 47 N 0.00 -0.01 -0.55 3.45 3.57 -0.62 -3.31 116.94 119.46 1x5e h PHE 47 Ca 0.09 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.75 1x5e h PHE 47 Cb 0.64 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1x5e h PHE 47 CO 0.00 -0.01 0.87 0.00 -2.23 0.00 0.00 178.31 176.94 1x5e h ALA 48 N -1.18 2.37 0.31 2.41 0.00 -0.48 -0.79 119.26 121.90 1x5e h ALA 48 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x5e h ALA 48 Cb 0.01 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1x5e h ALA 48 CO 0.00 -1.15 -0.47 0.93 0.00 0.00 0.00 179.25 178.57 1x5e h GLU 49 N 0.00 -0.78 -0.00 0.00 5.08 -1.54 -2.55 114.58 114.78 1x5e h GLU 49 Ca 0.26 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1x5e h GLU 49 Cb 1.99 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.42 1x5e h GLU 49 CO -0.00 -0.52 -0.23 -2.67 -1.00 0.00 0.00 179.01 174.59 1x5e n TRP 50 N -5.18 0.00 -0.00 4.33 4.27 -0.42 -4.41 117.44 116.03 1x5e n TRP 50 Ca -0.09 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.51 1x5e n TRP 50 Cb 0.40 -0.18 -0.01 0.00 -1.36 0.00 0.00 31.31 30.16 1x5e n TRP 50 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1x5e h GLY 51 N 4.95 -1.56 -0.19 -1.67 0.00 -0.80 -0.84 103.07 102.96 1x5e h GLY 51 Ca 0.00 0.68 0.29 0.00 0.00 0.00 0.00 47.33 48.30 1x5e h GLY 51 CO 0.00 -0.58 0.71 1.05 0.00 0.00 0.00 176.54 177.72 1x5e h GLU 52 N -0.03 0.27 -0.77 4.80 4.11 -1.56 0.42 114.58 121.82 1x5e h GLU 52 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1x5e h GLU 52 Cb 0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1x5e h GLU 52 CO -0.02 0.18 0.47 -0.44 0.07 0.00 0.00 179.01 179.26 1x5e h ASP 53 N 0.28 0.91 -0.24 3.06 5.19 -1.44 -0.98 116.42 123.19 1x5e h ASP 53 Ca 0.58 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.92 1x5e h ASP 53 Cb 1.71 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.97 1x5e h ASP 53 CO -0.22 0.70 0.04 0.18 -3.12 0.00 0.00 179.24 176.81 1x5e n LEU 54 N -4.39 3.04 -3.47 1.55 4.77 0.15 -4.87 117.00 113.78 1x5e n LEU 54 Ca 0.08 -1.55 -0.19 0.00 -0.03 0.00 0.00 56.01 54.32 1x5e n LEU 54 Cb 0.06 -0.58 0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1x5e n LEU 54 CO 0.37 0.44 0.02 -0.62 -1.33 0.00 0.00 177.39 176.27 1x5e n GLU 55 N 0.18 -4.19 -3.69 3.23 1.02 -0.37 -4.92 120.64 111.91 1x5e n GLU 55 Ca 0.12 0.75 -0.10 0.00 -0.02 0.00 0.00 57.16 57.92 1x5e n GLU 55 Cb 0.66 -5.49 -0.11 0.00 -0.02 0.00 0.00 31.44 26.48 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1x5e s VAL 56 N -3.46 -0.13 0.36 2.62 0.11 -1.11 -4.81 120.40 113.99 1x5e s VAL 56 Ca 0.20 0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 59.20 1x5e s VAL 56 Cb -0.04 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.11 1x5e s VAL 56 CO 0.77 0.05 0.80 0.20 -3.33 0.00 0.00 175.10 173.59 1x5e s ASN 57 N 1.61 6.81 -0.05 3.54 0.01 -0.80 -2.35 114.94 123.70 1x5e s ASN 57 Ca -0.08 1.40 0.02 0.00 -0.71 0.00 0.00 52.86 53.49 1x5e s ASN 57 Cb -0.09 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 39.16 1x5e s ASN 57 CO -0.12 -0.27 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.46 1x5e s ILE 58 N -2.07 0.99 0.29 0.60 1.09 -1.26 -0.18 121.20 120.65 1x5e s ILE 58 Ca 0.56 -0.43 0.04 0.00 -1.10 0.00 0.00 60.65 59.73 1x5e s ILE 58 Cb -0.10 -0.90 -0.03 0.00 -1.06 0.00 0.00 42.46 40.36 1x5e s ILE 58 CO 0.17 0.31 0.21 0.00 -0.10 0.00 0.00 174.94 175.53 1x5e s ALA 59 N 0.50 1.70 0.00 9.38 0.00 0.68 0.29 121.76 134.31 1x5e s ALA 59 Ca -0.10 -1.88 -0.05 0.00 0.00 0.00 0.00 51.96 49.93 1x5e s ALA 59 Cb -0.13 1.38 -0.00 0.00 0.00 0.00 0.00 23.12 24.36 1x5e s ALA 59 CO 0.02 -0.61 0.09 -1.59 0.00 0.00 0.00 175.76 173.68 1x5e s LYS 60 N -3.73 0.40 0.08 0.00 -2.85 0.16 -3.41 119.74 110.39 1x5e s LYS 60 Ca 0.39 -0.39 0.07 0.00 -1.00 0.00 0.00 55.97 55.04 1x5e s LYS 60 Cb 0.04 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1x5e s LYS 60 CO 0.21 -0.09 -0.18 0.08 0.10 0.00 0.00 175.35 175.47 1x5e s VAL 61 N -1.24 1.49 -0.20 1.79 1.01 -1.05 -3.51 120.40 118.69 1x5e s VAL 61 Ca -0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1x5e s VAL 61 Cb -0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1x5e s VAL 61 CO 0.01 -0.08 -0.00 1.51 0.00 0.00 0.00 175.10 176.54 1x5e s ASP 62 N -1.73 4.84 -0.07 3.32 1.47 -1.26 -2.59 116.67 120.64 1x5e s ASP 62 Ca 0.04 -0.19 0.02 0.00 1.18 0.00 0.00 52.55 53.59 1x5e s ASP 62 Cb -0.10 -1.82 0.15 0.00 -0.34 0.00 0.00 42.92 40.81 1x5e s ASP 62 CO 0.03 0.08 1.01 1.33 0.68 0.00 0.00 175.17 178.30 1x5e n VAL 63 N 4.16 1.09 0.00 2.11 0.24 -1.20 -2.23 118.33 122.51 1x5e n VAL 63 Ca -0.17 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1x5e n VAL 63 Cb 0.52 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.18 1x5e n VAL 63 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x5e n THR 64 N 0.15 0.00 -0.05 3.34 -2.24 -1.26 -4.81 114.28 109.40 1x5e n THR 64 Ca 0.10 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1x5e n THR 64 Cb 0.62 -0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 68.29 1x5e n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5e n GLU 65 N -1.57 2.11 -3.65 -0.78 1.02 -1.21 -4.82 120.64 111.74 1x5e n GLU 65 Ca 0.00 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.76 1x5e n GLU 65 Cb 0.29 -1.29 -0.08 0.00 -0.02 0.00 0.00 31.44 30.34 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1x5e s GLN 66 N -2.29 2.95 0.24 3.49 -1.52 -0.95 -4.90 119.66 116.69 1x5e s GLN 66 Ca -0.06 -2.85 0.02 0.00 -1.95 0.00 0.00 55.36 50.52 1x5e s GLN 66 Cb 0.03 -3.88 0.29 0.00 -0.22 0.00 0.00 33.01 29.23 1x5e s GLN 66 CO 0.46 -1.22 1.62 -1.00 -0.25 0.00 0.00 175.29 174.90 1x5e h PRO 67 N 6.64 0.42 0.42 2.91 0.13 -1.87 -3.29 132.00 137.37 1x5e h PRO 67 Ca 0.07 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1x5e h PRO 67 Cb 0.90 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1x5e h PRO 67 CO 0.77 0.78 -0.20 0.78 -0.23 0.00 0.00 178.00 179.90 1x5e h GLY 68 N 1.16 -0.59 -1.81 1.56 0.00 -1.97 -3.07 103.07 98.33 1x5e h GLY 68 Ca 0.03 0.22 0.53 0.00 0.00 0.00 0.00 47.33 48.10 1x5e h GLY 68 CO 0.08 -0.22 1.33 1.04 0.00 0.00 0.00 176.54 178.78 1x5e n LEU 69 N -4.25 0.00 -0.04 3.11 4.77 -1.25 0.17 117.00 119.51 1x5e n LEU 69 Ca -0.07 0.92 -0.13 0.00 -0.03 0.00 0.00 56.01 56.70 1x5e n LEU 69 Cb 0.22 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1x5e n LEU 69 CO 0.17 -0.92 0.58 -1.28 -1.33 0.00 0.00 177.39 174.61 1x5e h SER 70 N 0.00 0.22 -0.18 -1.43 0.87 -1.60 -3.03 113.55 108.40 1x5e h SER 70 Ca 0.86 -0.53 -0.14 0.00 -1.23 0.00 0.00 61.79 60.75 1x5e h SER 70 Cb 3.52 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 65.42 1x5e h SER 70 CO -0.01 0.71 -0.42 1.23 -0.53 0.00 0.00 176.83 177.81 1x5e h GLY 71 N -0.26 0.67 1.84 5.77 0.00 0.17 0.10 103.07 111.36 1x5e h GLY 71 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1x5e h GLY 71 CO 0.03 0.73 0.00 -2.13 0.00 0.00 0.00 176.54 175.17 1x5e n ARG 72 N -4.23 0.02 -0.00 4.80 0.63 -0.05 -1.29 116.66 116.53 1x5e n ARG 72 Ca -0.06 0.37 0.01 0.00 -0.92 0.00 0.00 57.85 57.24 1x5e n ARG 72 Cb 0.55 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.95 1x5e n ARG 72 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1x5e n PHE 73 N -1.42 0.00 -3.12 -0.14 3.01 -1.10 -4.96 117.46 109.73 1x5e n PHE 73 Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 1x5e n PHE 73 Cb 0.04 -0.02 0.07 0.00 -0.01 0.00 0.00 39.48 39.56 1x5e n PHE 73 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1x5e n ILE 74 N -1.31 -5.41 -1.83 4.37 -0.00 0.27 -4.89 119.36 110.56 1x5e n ILE 74 Ca -0.00 -0.54 -0.43 0.00 -0.00 0.00 0.00 62.75 61.78 1x5e n ILE 74 Cb 0.03 -4.79 -0.03 0.00 -0.00 0.00 0.00 39.64 34.86 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1x5e s ILE 75 N -3.30 3.28 -0.14 1.39 -1.09 -0.76 -4.81 121.20 115.77 1x5e s ILE 75 Ca 0.07 0.29 0.21 0.00 -2.23 0.00 0.00 60.65 58.99 1x5e s ILE 75 Cb -0.01 -3.37 0.46 0.00 -1.58 0.00 0.00 42.46 37.96 1x5e s ILE 75 CO 0.60 -0.22 1.16 -0.46 -1.23 0.00 0.00 174.94 174.78 1x5e n ASN 76 N 10.66 1.71 -3.15 3.58 6.94 -1.26 -5.01 115.26 128.73 1x5e n ASN 76 Ca 0.25 -2.48 0.06 0.00 -0.02 0.00 0.00 54.58 52.39 1x5e n ASN 76 Cb 0.46 -0.40 -0.01 0.00 -2.36 0.00 0.00 39.78 37.47 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x5e s ALA 77 N -2.07 -3.68 -0.04 -2.53 0.00 -1.26 -5.16 121.76 107.02 1x5e s ALA 77 Ca 0.34 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.71 1x5e s ALA 77 Cb 0.37 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1x5e s ALA 77 CO -0.09 -1.58 -0.13 -0.51 0.00 0.00 0.00 175.76 173.45 1x5e s LEU 78 N 2.96 2.84 0.50 0.00 1.43 -1.26 -2.61 118.68 122.54 1x5e s LEU 78 Ca 0.02 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 1x5e s LEU 78 Cb -0.08 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.47 1x5e s LEU 78 CO -0.12 0.34 1.15 -2.16 0.23 0.00 0.00 176.35 175.79 1x5e s PRO 79 N -0.84 3.57 0.11 1.29 0.04 -1.26 -4.83 135.00 133.08 1x5e s PRO 79 Ca 0.12 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.90 1x5e s PRO 79 Cb -0.11 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1x5e s PRO 79 CO 0.01 -0.69 0.07 0.99 0.04 0.00 0.00 177.00 177.43 1x5e s THR 80 N -1.66 4.36 -0.18 1.26 2.01 -0.89 -4.97 115.64 115.58 1x5e s THR 80 Ca 0.68 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1x5e s THR 80 Cb -0.26 -3.14 0.08 0.00 0.01 0.00 0.00 72.50 69.19 1x5e s THR 80 CO 0.31 0.04 0.20 -0.63 -0.69 0.00 0.00 174.62 173.85 1x5e s ILE 81 N -1.50 -0.30 -0.11 1.82 1.01 -1.26 -1.39 121.20 119.47 1x5e s ILE 81 Ca 0.29 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.91 1x5e s ILE 81 Cb -0.11 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1x5e s ILE 81 CO 0.21 -0.14 -0.13 -0.31 0.00 0.00 0.00 174.94 174.57 1x5e s TYR 82 N 2.31 2.80 -0.37 3.97 2.02 0.70 -0.84 117.35 127.94 1x5e s TYR 82 Ca 0.05 -0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1x5e s TYR 82 Cb -0.15 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.67 1x5e s TYR 82 CO -0.11 -0.08 0.17 -1.58 -1.57 0.00 0.00 175.55 172.38 1x5e s HIS 83 N 0.04 3.28 -0.26 2.71 5.65 -1.07 -0.25 115.29 125.39 1x5e s HIS 83 Ca -0.04 -1.36 -0.17 0.00 0.25 0.00 0.00 55.06 53.73 1x5e s HIS 83 Cb -0.14 -2.51 -0.03 0.00 -1.18 0.00 0.00 32.58 28.72 1x5e s HIS 83 CO 0.04 -0.74 0.49 0.00 -0.65 0.00 0.00 174.74 173.88 1x5e s LYS 85 N 2.20 1.24 -1.56 0.00 2.20 0.79 -0.36 119.74 124.26 1x5e s LYS 85 Ca 0.20 -1.02 -0.14 0.00 -0.36 0.00 0.00 55.97 54.65 1x5e s LYS 85 Cb -0.16 -2.45 0.09 0.00 -1.51 0.00 0.00 37.83 33.81 1x5e s LYS 85 CO 0.09 -0.73 0.96 -3.47 -0.36 0.00 0.00 175.35 171.84 1x5e n ASP 86 N 4.72 -4.64 0.00 1.43 2.03 -1.12 -1.30 116.55 117.67 1x5e n ASP 86 Ca -0.07 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.43 1x5e n ASP 86 Cb 0.44 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5e n GLY 87 N -1.66 2.86 3.73 0.27 0.00 0.63 -4.89 105.19 106.12 1x5e n GLY 87 Ca 0.05 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 1x5e n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5e s GLU 88 N 0.00 2.39 0.18 1.61 0.41 -0.42 -4.90 118.70 117.97 1x5e s GLU 88 Ca 0.00 1.92 0.07 0.00 -0.41 0.00 0.00 54.97 56.56 1x5e s GLU 88 Cb 0.00 -1.84 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 1x5e s GLU 88 CO 0.00 -1.68 -0.15 -0.06 -0.49 0.00 0.00 175.26 172.88 1x5e s PHE 89 N -1.66 1.64 -0.30 1.61 0.08 -1.26 -0.15 117.98 117.94 1x5e s PHE 89 Ca 0.79 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 57.22 1x5e s PHE 89 Cb -0.33 -0.79 0.18 0.00 -0.57 0.00 0.00 43.02 41.50 1x5e s PHE 89 CO 0.41 0.30 0.67 1.03 -0.10 0.00 0.00 175.22 177.53 1x5e s ARG 90 N -3.39 0.52 -0.01 0.44 0.52 -1.05 -1.90 118.95 114.09 1x5e s ARG 90 Ca 0.19 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 56.11 1x5e s ARG 90 Cb -0.02 0.57 -0.08 0.00 0.52 0.00 0.00 34.95 35.94 1x5e s ARG 90 CO 0.06 -0.48 2.02 -2.13 0.02 0.00 0.00 175.30 174.78 1x5e n ARG 91 N 5.42 2.70 -1.97 3.54 0.63 -1.26 -2.60 116.66 123.12 1x5e n ARG 91 Ca -0.04 0.96 -0.43 0.00 -0.92 0.00 0.00 57.85 57.42 1x5e n ARG 91 Cb 0.51 -3.05 -0.03 0.00 0.45 0.00 0.00 32.46 30.35 1x5e n ARG 91 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 1x5e s TYR 92 N 5.15 1.78 -1.05 -0.14 6.14 -0.02 -4.92 117.35 124.28 1x5e s TYR 92 Ca 0.91 0.57 -0.06 0.00 0.64 0.00 0.00 57.07 59.12 1x5e s TYR 92 Cb -0.42 -4.09 0.27 0.00 0.42 0.00 0.00 41.96 38.13 1x5e s TYR 92 CO 0.41 -3.15 1.05 1.04 0.64 0.00 0.00 175.55 175.54 1x5e n GLN 93 N 8.30 3.37 -3.81 4.97 1.13 -1.26 -4.76 117.38 125.32 1x5e n GLN 93 Ca 0.23 -4.48 -0.15 0.00 -1.94 0.00 0.00 57.00 50.66 1x5e n GLN 93 Cb 0.46 -2.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.26 1x5e n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x5e n GLY 94 N 2.42 2.72 0.05 1.08 0.00 -1.26 -5.03 105.19 105.17 1x5e n GLY 94 Ca 0.24 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1x5e n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 95 N -0.53 0.08 -3.03 1.61 -0.04 -1.26 -4.88 135.00 126.95 1x5e n PRO 95 Ca 0.04 0.33 -0.15 0.00 -0.04 0.00 0.00 63.50 63.68 1x5e n PRO 95 Cb 0.52 -1.65 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1x5e n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x5e n ARG 96 N -1.80 -4.35 -4.27 0.54 1.74 -1.26 -5.02 116.66 102.24 1x5e n ARG 96 Ca 0.03 0.54 -0.33 0.00 -0.77 0.00 0.00 57.85 57.32 1x5e n ARG 96 Cb 0.19 -4.68 -0.09 0.00 -1.02 0.00 0.00 32.46 26.86 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5e s THR 97 N -3.11 4.31 0.05 0.55 -4.23 -1.26 -4.94 115.64 107.01 1x5e s THR 97 Ca 0.31 -0.46 -0.10 0.00 -1.18 0.00 0.00 61.69 60.26 1x5e s THR 97 Cb -0.14 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.78 1x5e s THR 97 CO 0.38 0.44 0.97 1.17 -0.54 0.00 0.00 174.62 177.04 1x5e n LYS 98 N 1.57 -0.14 -0.15 3.99 4.81 -1.26 -1.19 118.16 125.78 1x5e n LYS 98 Ca -0.15 0.97 -0.07 0.00 -0.87 0.00 0.00 58.31 58.18 1x5e n LYS 98 Cb 0.53 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 1x5e n LYS 98 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1x5e h LYS 99 N 0.00 -0.10 -0.66 1.64 3.64 -1.97 -1.84 116.57 117.28 1x5e h LYS 99 Ca 0.05 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1x5e h LYS 99 Cb 0.13 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 1x5e h LYS 99 CO -0.29 -0.07 -0.39 -3.47 -2.27 0.00 0.00 179.45 172.96 1x5e n ASP 100 N -4.17 -0.70 -0.33 4.20 -0.08 -0.34 -0.40 116.55 114.73 1x5e n ASP 100 Ca -0.00 1.37 -0.05 0.00 -1.51 0.00 0.00 54.79 54.60 1x5e n ASP 100 Cb 0.16 -0.25 -0.03 0.00 2.34 0.00 0.00 41.12 43.34 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1x5e n PHE 101 N -4.56 -0.19 -0.16 -0.67 3.72 -0.69 -0.38 117.46 114.52 1x5e n PHE 101 Ca 0.01 1.03 -0.07 0.00 -0.05 0.00 0.00 57.45 58.37 1x5e n PHE 101 Cb 0.17 -0.68 -0.06 0.00 -0.94 0.00 0.00 39.48 37.98 1x5e n PHE 101 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x5e h ILE 102 N 0.00 0.00 -0.18 4.37 5.03 -0.53 0.41 117.51 126.62 1x5e h ILE 102 Ca 0.20 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.99 1x5e h ILE 102 Cb 0.41 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.16 1x5e h ILE 102 CO -0.80 0.00 -0.09 -0.55 -0.68 0.00 0.00 178.15 176.03 1x5e h ASN 103 N -0.10 -0.29 -0.66 1.72 7.08 -0.87 0.21 115.58 122.66 1x5e h ASN 103 Ca 0.07 0.07 0.19 0.00 -3.08 0.00 0.00 56.30 53.55 1x5e h ASN 103 Cb 0.27 0.16 -0.03 0.00 -2.08 0.00 0.00 38.32 36.65 1x5e h ASN 103 CO -0.43 -0.12 0.69 0.15 -2.08 0.00 0.00 177.43 175.64 1x5e h PHE 104 N -0.07 0.00 0.00 4.14 3.57 0.42 0.86 116.94 125.86 1x5e h PHE 104 Ca 0.10 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1x5e h PHE 104 Cb 0.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1x5e h PHE 104 CO -0.24 0.00 -0.74 -0.89 -2.23 0.00 0.00 178.31 174.21 1x5e n ILE 105 N -3.65 1.45 0.28 1.41 2.08 0.03 -2.75 119.36 118.20 1x5e n ILE 105 Ca 0.14 0.16 -0.16 0.00 0.56 0.00 0.00 62.75 63.45 1x5e n ILE 105 Cb 0.92 -2.34 -0.08 0.00 -0.75 0.00 0.00 39.64 37.39 1x5e n ILE 105 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x5e h SER 106 N -1.00 -0.57 0.56 4.38 0.87 -0.17 -2.17 113.55 115.45 1x5e h SER 106 Ca -0.05 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1x5e h SER 106 Cb 0.71 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1x5e h SER 106 CO -0.03 -0.37 0.00 0.47 -0.53 0.00 0.00 176.83 176.37 1x5e n ASP 107 N -5.36 0.00 -3.94 6.23 8.00 0.30 -4.89 116.55 116.89 1x5e n ASP 107 Ca -0.12 0.49 -0.26 0.00 0.71 0.00 0.00 54.79 55.61 1x5e n ASP 107 Cb 0.29 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 1x5e n ASP 107 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x5e n LYS 108 N -1.50 -3.64 -0.05 -1.24 5.02 -0.82 -4.83 118.16 111.10 1x5e n LYS 108 Ca 0.04 0.44 0.10 0.00 -2.02 0.00 0.00 58.31 56.87 1x5e n LYS 108 Cb 0.19 -4.73 0.49 0.00 -0.02 0.00 0.00 35.03 30.95 1x5e n LYS 108 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1x5e h GLU 109 N -1.82 0.42 -1.08 1.97 5.08 -1.69 -2.37 114.58 115.08 1x5e h GLU 109 Ca -0.62 -0.03 0.41 0.00 -1.00 0.00 0.00 59.36 58.12 1x5e h GLU 109 Cb 1.37 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 1x5e h GLU 109 CO 0.63 0.28 0.65 -2.67 -1.00 0.00 0.00 179.01 176.90 1x5e n TRP 110 N -4.47 0.83 -0.24 4.33 4.27 -1.26 0.69 117.44 121.59 1x5e n TRP 110 Ca 0.08 0.83 0.01 0.00 -3.89 0.00 0.00 57.50 54.54 1x5e n TRP 110 Cb 0.29 -1.25 0.09 0.00 -1.36 0.00 0.00 31.31 29.08 1x5e n TRP 110 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 1x5e h LYS 111 N 0.00 0.02 -0.00 -2.67 1.79 -1.79 0.95 116.57 114.87 1x5e h LYS 111 Ca 0.78 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.25 1x5e h LYS 111 Cb 2.31 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.95 1x5e h LYS 111 CO -0.55 0.02 0.01 0.66 -1.08 0.00 0.00 179.45 178.51 1x5e h SER 112 N 0.02 0.00 -3.73 0.86 4.64 0.02 -3.42 113.55 111.95 1x5e h SER 112 Ca 0.34 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.17 1x5e h SER 112 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1x5e h SER 112 CO -0.69 0.00 0.23 -0.63 -0.87 0.00 0.00 176.83 174.87 1x5e s ILE 113 N -4.45 4.39 0.40 0.95 1.01 0.33 -5.04 121.20 118.79 1x5e s ILE 113 Ca -0.05 1.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.92 1x5e s ILE 113 Cb 0.14 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1x5e s ILE 113 CO 0.49 0.17 1.10 -1.61 0.00 0.00 0.00 174.94 175.10 1x5e s GLU 114 N -2.02 4.10 0.76 2.79 8.01 -1.26 -4.98 118.70 126.09 1x5e s GLU 114 Ca 0.47 1.65 -0.11 0.00 0.01 0.00 0.00 54.97 56.99 1x5e s GLU 114 Cb -0.18 -2.59 0.05 0.00 -4.31 0.00 0.00 34.13 27.11 1x5e s GLU 114 CO 0.22 -0.23 1.09 -1.25 0.01 0.00 0.00 175.26 175.10 1x5e s PRO 115 N -2.42 2.31 0.23 0.39 0.04 -1.26 -4.42 135.00 129.87 1x5e s PRO 115 Ca 0.58 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 1x5e s PRO 115 Cb -0.26 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1x5e s PRO 115 CO 0.32 -1.60 0.70 0.08 0.04 0.00 0.00 177.00 176.54 1x5e s VAL 116 N -2.85 4.63 0.32 -0.36 1.01 -0.80 -4.95 120.40 117.41 1x5e s VAL 116 Ca 0.62 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1x5e s VAL 116 Cb -0.17 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 1x5e s VAL 116 CO 0.55 0.15 0.06 -0.24 0.00 0.00 0.00 175.10 175.62 1x5e n SER 117 N 0.57 -2.27 -4.02 3.32 2.88 -1.26 -4.58 113.62 108.25 1x5e n SER 117 Ca -0.02 0.62 -0.52 0.00 -1.33 0.00 0.00 58.87 57.62 1x5e n SER 117 Cb 0.51 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 63.22 1x5e n SER 117 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5e n SER 118 N 1.83 -0.05 -4.56 -3.46 7.64 -1.26 -4.75 113.62 109.01 1x5e n SER 118 Ca 0.09 1.04 -0.35 0.00 1.01 0.00 0.00 58.87 60.65 1x5e n SER 118 Cb 0.31 -0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1x5e s TRP 119 N -0.03 2.17 -0.91 1.43 -0.11 -1.26 -4.92 118.94 115.30 1x5e s TRP 119 Ca 0.80 -0.10 -0.20 0.00 1.22 0.00 0.00 56.10 57.82 1x5e s TRP 119 Cb -1.12 -4.40 0.11 0.00 -1.50 0.00 0.00 33.47 26.55 1x5e s TRP 119 CO 0.51 -1.91 1.16 0.12 -4.62 0.00 0.00 176.95 172.21 1x5e s PHE 120 N 7.25 2.97 -0.30 5.86 2.19 -1.26 -4.91 117.98 129.79 1x5e s PHE 120 Ca 0.56 -1.20 -0.15 0.00 0.33 0.00 0.00 56.93 56.46 1x5e s PHE 120 Cb -0.04 -4.35 0.16 0.00 -1.31 0.00 0.00 43.02 37.47 1x5e s PHE 120 CO -0.02 -1.58 0.95 0.45 1.83 0.00 0.00 175.22 176.85 1x5e s SER 121 N 3.86 -0.62 0.00 6.13 0.15 -1.26 -5.09 113.70 116.86 1x5e s SER 121 Ca 0.34 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1x5e s SER 121 Cb -0.05 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 1x5e s SER 121 CO -0.07 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x5e n GLY 122 N 4.69 1.06 0.00 9.45 0.00 -1.26 -4.89 105.19 114.24 1x5e n GLY 122 Ca -0.12 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1x5e n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5e n PRO 123 N 0.00 0.49 -3.10 1.61 -0.04 -1.26 -4.84 135.00 127.86 1x5e n PRO 123 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1x5e n PRO 123 Cb 0.00 -1.43 0.06 0.00 -0.04 0.00 0.00 33.50 32.09 1x5e n PRO 123 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5e n SER 124 N -0.93 -2.97 -3.45 3.54 7.64 -1.26 -5.02 113.62 111.17 1x5e n SER 124 Ca 0.10 -0.43 -0.18 0.00 1.01 0.00 0.00 58.87 59.38 1x5e n SER 124 Cb 0.05 -3.79 -0.11 0.00 -1.01 0.00 0.00 64.21 59.34 1x5e n SER 124 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5e s SER 125 N -3.75 1.56 0.00 6.43 1.04 -1.26 -5.21 113.70 112.51 1x5e s SER 125 Ca 0.13 -0.47 0.16 0.00 0.48 0.00 0.00 55.95 56.24 1x5e s SER 125 Cb -0.06 0.44 0.94 0.00 0.10 0.00 0.00 66.02 67.44 1x5e s SER 125 CO 0.52 -0.36 1.35 0.61 0.98 0.00 0.00 173.24 176.34