#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 3.25 0.20 1.61 0.15 -1.26 -5.11 113.70 112.54 1x5e s SER 2 Ca 0.00 -2.55 -0.32 0.00 0.70 0.00 0.00 55.95 53.77 1x5e s SER 2 Cb 0.00 -0.78 -0.14 0.00 -1.71 0.00 0.00 66.02 63.39 1x5e s SER 2 CO 0.00 -0.27 1.33 -1.54 1.20 0.00 0.00 173.24 173.96 1x5e n SER 3 N 3.60 2.20 -3.68 5.45 3.41 -1.26 -4.98 113.62 118.36 1x5e n SER 3 Ca 0.12 1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 59.75 1x5e n SER 3 Cb 0.37 -1.34 -0.12 0.00 -0.26 0.00 0.00 64.21 62.86 1x5e n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5e s GLY 4 N 0.25 -0.18 -0.01 5.00 0.00 -1.26 -5.06 107.32 106.06 1x5e s GLY 4 Ca 0.72 1.11 -0.22 0.00 0.00 0.00 0.00 44.72 46.32 1x5e s GLY 4 CO 0.49 1.79 0.99 1.76 0.00 0.00 0.00 173.10 178.13 1x5e h SER 5 N 7.82 -0.46 -2.73 1.64 0.02 -2.03 -3.46 113.55 114.35 1x5e h SER 5 Ca -0.25 -0.11 -0.39 0.00 -0.84 0.00 0.00 61.79 60.21 1x5e h SER 5 Cb 1.13 0.12 0.21 0.00 0.14 0.00 0.00 62.40 64.00 1x5e h SER 5 CO 0.22 -0.04 -0.33 -1.54 -1.14 0.00 0.00 176.83 174.00 1x5e n SER 6 N -5.16 -2.84 -4.69 3.07 3.41 -1.26 -4.85 113.62 101.29 1x5e n SER 6 Ca -0.09 -0.42 -0.44 0.00 -0.26 0.00 0.00 58.87 57.66 1x5e n SER 6 Cb 0.28 -1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1x5e n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5e n GLY 7 N 1.71 0.89 0.53 5.00 0.00 -1.26 -4.82 105.19 107.24 1x5e n GLY 7 Ca 0.06 0.47 0.38 0.00 0.00 0.00 0.00 46.02 46.92 1x5e n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x5e h ASN 8 N 4.14 0.16 -3.33 1.61 2.35 -1.88 -3.39 115.58 115.23 1x5e h ASN 8 Ca -0.46 0.06 -0.53 0.00 -0.55 0.00 0.00 56.30 54.83 1x5e h ASN 8 Cb 1.26 0.05 0.05 0.00 0.05 0.00 0.00 38.32 39.73 1x5e h ASN 8 CO 0.75 -0.05 0.73 -0.69 -1.65 0.00 0.00 177.43 176.52 1x5e s VAL 9 N -5.15 2.87 0.16 2.81 1.01 -1.26 -4.79 120.40 116.05 1x5e s VAL 9 Ca -0.07 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 1x5e s VAL 9 Cb 0.27 -3.46 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1x5e s VAL 9 CO 0.83 0.11 0.51 -0.13 0.00 0.00 0.00 175.10 176.41 1x5e s ARG 10 N -0.14 3.85 -0.51 2.72 1.81 0.86 -4.90 118.95 122.64 1x5e s ARG 10 Ca 0.59 0.31 -0.13 0.00 -1.72 0.00 0.00 55.73 54.78 1x5e s ARG 10 Cb -0.40 -2.84 0.12 0.00 -0.45 0.00 0.00 34.95 31.38 1x5e s ARG 10 CO 0.40 0.44 0.44 0.08 -0.68 0.00 0.00 175.30 175.98 1x5e s VAL 11 N -1.58 4.84 0.23 3.52 1.01 -1.26 0.08 120.40 127.24 1x5e s VAL 11 Ca 0.40 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 1x5e s VAL 11 Cb -0.13 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1x5e s VAL 11 CO 0.20 -0.83 1.02 -0.63 0.00 0.00 0.00 175.10 174.86 1x5e s ILE 12 N 1.51 3.91 0.24 2.22 -1.09 -1.22 -4.95 121.20 121.81 1x5e s ILE 12 Ca 0.04 1.83 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 1x5e s ILE 12 Cb -0.28 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1x5e s ILE 12 CO 0.02 0.40 0.05 0.35 -1.23 0.00 0.00 174.94 174.53 1x5e n THR 13 N 1.69 0.00 0.60 2.92 -2.24 -1.26 -4.79 114.28 111.20 1x5e n THR 13 Ca -0.00 -1.28 0.05 0.00 -2.27 0.00 0.00 64.05 60.55 1x5e n THR 13 Cb 0.46 0.40 0.30 0.00 -2.10 0.00 0.00 70.33 69.39 1x5e n THR 13 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x5e n ASP 14 N -1.58 0.00 -0.02 3.42 2.03 -1.26 -1.64 116.55 117.50 1x5e n ASP 14 Ca -0.06 -0.10 -0.03 0.00 0.52 0.00 0.00 54.79 55.12 1x5e n ASP 14 Cb 0.33 -0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.57 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x5e n GLU 15 N -1.15 0.08 0.27 -0.67 -0.58 -1.26 -4.67 120.64 112.65 1x5e n GLU 15 Ca 0.07 0.03 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 1x5e n GLU 15 Cb 0.06 -0.73 0.76 0.00 -0.57 0.00 0.00 31.44 30.96 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1x5e h ASN 16 N -0.10 0.00 -0.88 1.62 -0.73 -1.91 -3.09 115.58 110.50 1x5e h ASN 16 Ca -0.09 0.00 0.20 0.00 1.87 0.00 0.00 56.30 58.29 1x5e h ASN 16 Cb 1.09 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.51 1x5e h ASN 16 CO -0.04 0.09 -0.13 -2.67 -0.37 0.00 0.00 177.43 174.31 1x5e n TRP 17 N -3.76 0.41 -0.32 0.67 4.27 -0.65 0.26 117.44 118.33 1x5e n TRP 17 Ca -0.02 1.07 -0.02 0.00 -3.89 0.00 0.00 57.50 54.64 1x5e n TRP 17 Cb 0.20 -1.07 0.03 0.00 -1.36 0.00 0.00 31.31 29.11 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 -0.06 -1.49 -2.67 3.08 -1.84 0.70 114.38 112.10 1x5e h ARG 18 Ca 0.47 0.00 0.49 0.00 0.07 0.00 0.00 59.98 61.01 1x5e h ARG 18 Cb 0.82 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.76 1x5e h ARG 18 CO -0.88 -0.04 0.99 0.93 -1.07 0.00 0.00 179.97 179.90 1x5e h GLU 19 N -0.06 0.02 -0.75 0.04 5.08 -0.44 0.88 114.58 119.36 1x5e h GLU 19 Ca 0.31 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.78 1x5e h GLU 19 Cb 0.58 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1x5e h GLU 19 CO -0.88 0.01 0.36 -0.07 -1.00 0.00 0.00 179.01 177.44 1x5e h LEU 20 N 0.02 0.45 -1.59 1.33 3.38 0.34 0.30 115.31 119.53 1x5e h LEU 20 Ca 0.88 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.93 1x5e h LEU 20 Cb 2.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.73 1x5e h LEU 20 CO -0.37 0.23 0.10 -0.07 0.09 0.00 0.00 178.44 178.43 1x5e h LEU 21 N 0.58 0.00 -9.30 1.67 3.38 0.70 -3.39 115.31 108.96 1x5e h LEU 21 Ca 0.38 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.73 1x5e h LEU 21 Cb 0.46 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 1x5e h LEU 21 CO -0.31 0.00 -0.51 -1.61 0.09 0.00 0.00 178.44 176.10 1x5e s GLU 22 N -3.64 3.94 0.26 1.13 0.41 0.10 -2.27 118.70 118.64 1x5e s GLU 22 Ca -0.03 -0.24 0.00 0.00 -0.41 0.00 0.00 54.97 54.29 1x5e s GLU 22 Cb 0.07 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 1x5e s GLU 22 CO 0.22 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.80 1x5e n GLY 23 N 3.17 -0.86 3.77 -1.39 0.00 -1.26 -4.69 105.19 103.93 1x5e n GLY 23 Ca -0.17 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.01 6.64 -0.18 1.61 1.01 -1.26 -3.15 116.67 117.33 1x5e s ASP 24 Ca 0.00 2.19 -0.07 0.00 0.71 0.00 0.00 52.55 55.39 1x5e s ASP 24 Cb 0.00 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.41 1x5e s ASP 24 CO 0.00 -0.58 0.39 0.26 0.21 0.00 0.00 175.17 175.45 1x5e s TRP 25 N -1.52 -0.70 -0.37 4.23 0.52 0.31 -3.60 118.94 117.79 1x5e s TRP 25 Ca 0.57 1.39 -0.16 0.00 0.02 0.00 0.00 56.10 57.92 1x5e s TRP 25 Cb -0.26 0.24 0.00 0.00 -1.15 0.00 0.00 33.47 32.29 1x5e s TRP 25 CO 0.33 -0.44 0.39 -1.64 0.02 0.00 0.00 176.95 175.61 1x5e s MET 26 N 2.44 3.37 -0.01 4.98 -1.94 1.00 -0.18 119.30 128.96 1x5e s MET 26 Ca -0.02 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.41 1x5e s MET 26 Cb -0.12 -3.87 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1x5e s MET 26 CO -0.12 -0.66 0.04 0.42 -0.01 0.00 0.00 175.02 174.69 1x5e s ILE 27 N 2.06 4.45 -0.13 2.53 1.01 0.16 -0.14 121.20 131.15 1x5e s ILE 27 Ca 0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 1x5e s ILE 27 Cb -0.17 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.35 1x5e s ILE 27 CO 0.12 0.39 0.02 -1.83 0.00 0.00 0.00 174.94 173.64 1x5e s GLU 28 N -1.58 0.60 -0.46 2.79 -1.05 -1.22 0.08 118.70 117.87 1x5e s GLU 28 Ca 0.20 -0.11 -0.24 0.00 -0.15 0.00 0.00 54.97 54.67 1x5e s GLU 28 Cb -0.12 -1.48 0.03 0.00 -0.44 0.00 0.00 34.13 32.12 1x5e s GLU 28 CO 0.11 -0.46 0.83 -0.06 0.95 0.00 0.00 175.26 176.64 1x5e s PHE 29 N 1.94 2.96 0.30 4.83 0.40 -0.09 -2.27 117.98 126.04 1x5e s PHE 29 Ca 0.03 0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.66 1x5e s PHE 29 Cb -0.14 -3.77 -0.06 0.00 0.51 0.00 0.00 43.02 39.56 1x5e s PHE 29 CO -0.07 -1.04 -0.12 1.52 0.70 0.00 0.00 175.22 176.22 1x5e s TYR 30 N 3.45 2.20 -0.06 0.36 -0.85 -1.21 -2.40 117.35 118.85 1x5e s TYR 30 Ca 0.32 -0.51 -0.05 0.00 -0.52 0.00 0.00 57.07 56.31 1x5e s TYR 30 Cb -0.12 -1.16 0.02 0.00 0.38 0.00 0.00 41.96 41.09 1x5e s TYR 30 CO 0.24 0.53 0.16 0.00 -1.52 0.00 0.00 175.55 174.96 1x5e s ALA 31 N -2.71 -0.37 -0.48 9.51 0.00 -1.26 -3.93 121.76 122.52 1x5e s ALA 31 Ca 0.30 0.53 0.23 0.00 0.00 0.00 0.00 51.96 53.02 1x5e s ALA 31 Cb 0.00 -0.32 0.98 0.00 0.00 0.00 0.00 23.12 23.78 1x5e s ALA 31 CO 0.14 -0.10 1.71 -0.35 0.00 0.00 0.00 175.76 177.16 1x5e n PRO 32 N 3.35 0.19 -0.98 0.00 -0.04 -1.26 -2.38 135.00 133.88 1x5e n PRO 32 Ca -0.16 0.43 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1x5e n PRO 32 Cb 0.57 -1.87 0.26 0.00 -0.04 0.00 0.00 33.50 32.42 1x5e n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5e n TRP 33 N -2.23 2.23 -4.02 0.54 4.27 -1.26 -4.91 117.44 112.06 1x5e n TRP 33 Ca 0.02 -1.38 -0.17 0.00 -3.89 0.00 0.00 57.50 52.08 1x5e n TRP 33 Cb 0.22 -0.68 -0.16 0.00 -1.36 0.00 0.00 31.31 29.34 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 6.87 -0.08 -0.51 0.00 0.13 -1.91 -3.10 132.00 133.40 1x5e h PRO 35 Ca -0.37 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.86 1x5e h PRO 35 Cb 1.16 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1x5e h PRO 35 CO 0.49 0.38 0.06 0.00 -0.23 0.00 0.00 178.00 178.69 1x5e h ALA 36 N 0.31 0.55 -0.91 -0.56 0.00 -1.95 -0.34 119.26 116.36 1x5e h ALA 36 Ca -0.01 0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1x5e h ALA 36 Cb 0.49 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1x5e h ALA 36 CO 0.01 -0.35 0.58 0.00 0.00 0.00 0.00 179.25 179.50 1x5e h GLN 38 N 0.81 0.00 0.00 0.00 4.20 -0.98 -1.11 115.11 118.03 1x5e h GLN 38 Ca 0.44 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.02 1x5e h GLN 38 Cb 0.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1x5e h GLN 38 CO -0.21 0.07 -0.62 -0.97 -0.67 0.00 0.00 178.83 176.43 1x5e h ASN 39 N 0.00 0.00 0.81 1.46 -0.73 -0.37 -3.23 115.58 113.52 1x5e h ASN 39 Ca -0.00 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 1x5e h ASN 39 Cb 0.23 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 1x5e h ASN 39 CO 0.01 0.62 -1.29 0.25 -0.37 0.00 0.00 177.43 176.64 1x5e h LEU 40 N 0.00 0.00 -0.74 0.34 5.85 -1.12 -3.34 115.31 116.29 1x5e h LEU 40 Ca -0.01 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1x5e h LEU 40 Cb 1.35 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.25 1x5e h LEU 40 CO 0.08 0.62 -0.37 1.56 -0.34 0.00 0.00 178.44 179.99 1x5e h GLN 41 N 0.00 -0.11 -0.11 1.25 1.08 -1.26 0.24 115.11 116.20 1x5e h GLN 41 Ca -0.15 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1x5e h GLN 41 Cb 1.60 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 29.06 1x5e h GLN 41 CO 0.06 -0.07 -0.11 -1.00 -0.95 0.00 0.00 178.83 176.76 1x5e h PRO 42 N -0.11 0.27 -0.87 1.46 0.13 -1.73 -3.06 132.00 128.09 1x5e h PRO 42 Ca 0.26 -0.14 0.15 0.00 -0.87 0.00 0.00 66.00 65.41 1x5e h PRO 42 Cb 0.57 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.60 1x5e h PRO 42 CO -0.80 0.68 0.45 0.93 -0.23 0.00 0.00 178.00 179.03 1x5e h GLU 43 N -0.13 0.61 0.58 0.86 5.08 -1.45 -2.07 114.58 118.07 1x5e h GLU 43 Ca 0.02 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1x5e h GLU 43 Cb 0.63 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1x5e h GLU 43 CO 0.03 0.41 -0.28 2.35 -1.00 0.00 0.00 179.01 180.51 1x5e h TRP 44 N 0.63 -0.73 -0.60 4.33 2.91 -0.56 -1.49 115.95 120.45 1x5e h TRP 44 Ca 0.48 -0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.60 1x5e h TRP 44 Cb 0.70 0.24 -0.12 0.00 -0.51 0.00 0.00 29.16 29.47 1x5e h TRP 44 CO -0.08 -0.44 -0.26 0.93 -1.03 0.00 0.00 178.44 177.56 1x5e h GLU 45 N -0.82 -0.10 0.00 2.65 5.08 -1.29 0.59 114.58 120.69 1x5e h GLU 45 Ca -0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1x5e h GLU 45 Cb 0.61 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1x5e h GLU 45 CO 0.13 -0.07 -0.05 0.77 -1.00 0.00 0.00 179.01 178.79 1x5e h SER 46 N -0.11 0.00 0.34 1.42 0.02 -1.31 -2.93 113.55 110.98 1x5e h SER 46 Ca 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1x5e h SER 46 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1x5e h SER 46 CO -0.67 0.05 -0.16 0.15 -1.14 0.00 0.00 176.83 175.07 1x5e h PHE 47 N 0.00 -0.42 -1.16 3.45 3.57 0.11 -3.20 116.94 119.30 1x5e h PHE 47 Ca -0.00 -0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.83 1x5e h PHE 47 Cb 0.10 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1x5e h PHE 47 CO 0.00 -0.20 1.04 0.00 -2.23 0.00 0.00 178.31 176.92 1x5e h ALA 48 N -0.98 3.04 -0.01 2.41 0.00 -0.57 -0.62 119.26 122.53 1x5e h ALA 48 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x5e h ALA 48 Cb 0.41 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1x5e h ALA 48 CO 0.08 -1.63 -0.47 0.93 0.00 0.00 0.00 179.25 178.15 1x5e h GLU 49 N 0.00 -0.56 -0.01 0.00 5.08 -1.51 -2.09 114.58 115.50 1x5e h GLU 49 Ca 0.55 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1x5e h GLU 49 Cb 2.62 0.13 0.00 0.00 0.50 0.00 0.00 28.75 32.00 1x5e h GLU 49 CO -0.01 -0.37 -0.27 -2.67 -1.00 0.00 0.00 179.01 174.69 1x5e n TRP 50 N -5.08 0.00 0.00 4.33 4.27 -0.41 -4.46 117.44 116.10 1x5e n TRP 50 Ca -0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.55 1x5e n TRP 50 Cb 0.35 -0.17 0.00 0.00 -1.36 0.00 0.00 31.31 30.12 1x5e n TRP 50 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1x5e n GLY 51 N 1.37 -2.97 0.47 -1.67 0.00 -0.38 -1.22 105.19 100.79 1x5e n GLY 51 Ca 0.11 0.37 0.29 0.00 0.00 0.00 0.00 46.02 46.79 1x5e n GLY 51 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x5e h GLU 52 N 0.00 0.09 -0.58 1.61 4.11 -1.51 0.38 114.58 118.67 1x5e h GLU 52 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1x5e h GLU 52 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1x5e h GLU 52 CO 0.00 0.06 0.23 -0.44 0.07 0.00 0.00 179.01 178.93 1x5e h ASP 53 N 0.09 0.77 -0.23 3.06 5.19 -1.44 -1.43 116.42 122.42 1x5e h ASP 53 Ca 0.49 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 1x5e h ASP 53 Cb 1.79 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 41.10 1x5e h ASP 53 CO -0.06 0.69 0.00 0.18 -3.12 0.00 0.00 179.24 176.93 1x5e n LEU 54 N -4.33 2.91 -3.26 1.55 4.77 0.13 -4.88 117.00 113.90 1x5e n LEU 54 Ca 0.05 -1.47 -0.15 0.00 -0.03 0.00 0.00 56.01 54.40 1x5e n LEU 54 Cb 0.16 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1x5e n LEU 54 CO 0.39 0.40 0.07 1.21 -1.33 0.00 0.00 177.39 178.13 1x5e n GLU 55 N 0.26 -4.31 -3.70 3.23 2.13 -0.54 -4.92 120.64 112.78 1x5e n GLU 55 Ca 0.11 0.83 -0.11 0.00 0.66 0.00 0.00 57.16 58.65 1x5e n GLU 55 Cb 0.63 -5.71 -0.10 0.00 0.27 0.00 0.00 31.44 26.53 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x5e s VAL 56 N -3.36 -0.02 0.26 6.31 0.11 -1.14 -4.90 120.40 117.66 1x5e s VAL 56 Ca 0.22 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 59.19 1x5e s VAL 56 Cb -0.03 -0.64 -0.08 0.00 -1.53 0.00 0.00 36.38 34.10 1x5e s VAL 56 CO 0.71 0.03 0.65 0.20 -3.33 0.00 0.00 175.10 173.36 1x5e s ASN 57 N 1.11 6.78 -0.03 3.54 0.01 -1.24 -2.19 114.94 122.93 1x5e s ASN 57 Ca -0.07 1.17 0.03 0.00 -0.71 0.00 0.00 52.86 53.28 1x5e s ASN 57 Cb -0.07 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.27 1x5e s ASN 57 CO -0.10 -0.09 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.65 1x5e s ILE 58 N -1.79 1.07 0.35 0.60 1.09 -1.26 -0.00 121.20 121.25 1x5e s ILE 58 Ca 0.48 -0.51 0.07 0.00 -1.10 0.00 0.00 60.65 59.59 1x5e s ILE 58 Cb -0.12 -0.93 -0.03 0.00 -1.06 0.00 0.00 42.46 40.32 1x5e s ILE 58 CO 0.19 0.32 0.25 0.00 -0.10 0.00 0.00 174.94 175.60 1x5e n ALA 59 N 3.25 0.68 -3.28 9.38 0.00 0.80 -0.10 120.51 131.25 1x5e n ALA 59 Ca -0.18 -1.96 -0.13 0.00 0.00 0.00 0.00 53.44 51.17 1x5e n ALA 59 Cb 0.54 1.52 -0.12 0.00 0.00 0.00 0.00 19.45 21.39 1x5e n ALA 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1x5e s LYS 60 N -3.39 0.27 -0.10 0.00 -2.85 0.11 -3.41 119.74 110.36 1x5e s LYS 60 Ca 0.35 0.39 -0.01 0.00 -1.00 0.00 0.00 55.97 55.70 1x5e s LYS 60 Cb 0.02 0.08 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 1x5e s LYS 60 CO 0.25 -0.07 -0.06 0.08 0.10 0.00 0.00 175.35 175.65 1x5e s VAL 61 N 0.41 3.74 -1.04 1.79 1.01 -0.96 -3.44 120.40 121.91 1x5e s VAL 61 Ca -0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1x5e s VAL 61 Cb -0.04 -2.57 0.26 0.00 0.00 0.00 0.00 36.38 34.03 1x5e s VAL 61 CO -0.02 0.56 1.00 -1.81 0.00 0.00 0.00 175.10 174.83 1x5e s ASP 62 N -0.31 6.88 0.54 3.32 1.01 -1.26 -3.30 116.67 123.55 1x5e s ASP 62 Ca 0.05 -3.63 0.30 0.00 0.71 0.00 0.00 52.55 49.97 1x5e s ASP 62 Cb -0.13 -2.11 1.04 0.00 1.01 0.00 0.00 42.92 42.73 1x5e s ASP 62 CO 0.02 -0.25 1.24 1.33 0.21 0.00 0.00 175.17 177.72 1x5e n VAL 63 N 2.58 0.00 -0.03 -1.27 0.24 -1.25 0.15 118.33 118.75 1x5e n VAL 63 Ca 0.23 1.20 -0.13 0.00 -2.04 0.00 0.00 64.34 63.60 1x5e n VAL 63 Cb 0.39 -2.11 -0.09 0.00 -1.47 0.00 0.00 33.84 30.55 1x5e n VAL 63 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1x5e h THR 64 N 0.00 1.39 0.24 3.34 1.35 -1.90 -3.21 112.91 114.12 1x5e h THR 64 Ca 0.56 -1.25 -0.34 0.00 -0.55 0.00 0.00 66.41 64.83 1x5e h THR 64 Cb 2.89 2.13 0.03 0.00 -1.73 0.00 0.00 68.15 71.47 1x5e h THR 64 CO -0.01 0.34 -1.54 -0.33 -0.25 0.00 0.00 175.52 173.73 1x5e h GLU 65 N -0.35 0.51 -3.49 4.72 4.39 0.98 -3.40 114.58 117.94 1x5e h GLU 65 Ca 0.01 -0.87 -0.73 0.00 0.34 0.00 0.00 59.36 58.11 1x5e h GLU 65 Cb 0.58 0.32 -0.33 0.00 -0.10 0.00 0.00 28.75 29.22 1x5e h GLU 65 CO 0.01 1.41 -0.02 -0.65 -1.16 0.00 0.00 179.01 178.61 1x5e s GLN 66 N -2.60 3.35 0.49 2.33 -1.52 0.81 -4.88 119.66 117.65 1x5e s GLN 66 Ca -0.10 -3.00 0.28 0.00 -1.95 0.00 0.00 55.36 50.58 1x5e s GLN 66 Cb 0.04 -4.09 1.16 0.00 -0.22 0.00 0.00 33.01 29.91 1x5e s GLN 66 CO 0.93 -1.25 1.92 -1.00 -0.25 0.00 0.00 175.29 175.64 1x5e h PRO 67 N 6.59 0.00 0.18 2.91 0.13 -1.77 -3.29 132.00 136.75 1x5e h PRO 67 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1x5e h PRO 67 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1x5e h PRO 67 CO 0.84 0.14 -0.09 0.78 -0.23 0.00 0.00 178.00 179.45 1x5e h GLY 68 N 1.80 -0.25 -1.57 1.56 0.00 -1.89 -3.29 103.07 99.43 1x5e h GLY 68 Ca -0.00 0.09 0.50 0.00 0.00 0.00 0.00 47.33 47.92 1x5e h GLY 68 CO 0.02 -0.09 1.08 1.04 0.00 0.00 0.00 176.54 178.58 1x5e n LEU 69 N -4.93 0.11 0.08 3.11 4.77 -1.24 0.10 117.00 119.00 1x5e n LEU 69 Ca -0.04 1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.95 1x5e n LEU 69 Cb 0.15 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1x5e n LEU 69 CO 0.12 -1.20 0.82 -1.28 -1.33 0.00 0.00 177.39 174.53 1x5e h SER 70 N 0.00 -0.18 -0.33 -1.43 0.87 -1.66 -2.69 113.55 108.13 1x5e h SER 70 Ca 0.86 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 61.35 1x5e h SER 70 Cb 3.11 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 65.12 1x5e h SER 70 CO -0.24 -0.11 -0.13 1.23 -0.53 0.00 0.00 176.83 177.04 1x5e h GLY 71 N -0.16 0.73 1.68 5.77 0.00 0.52 0.21 103.07 111.82 1x5e h GLY 71 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1x5e h GLY 71 CO -0.01 0.59 0.10 0.54 0.00 0.00 0.00 176.54 177.76 1x5e n ARG 72 N -4.38 0.07 0.00 4.80 1.74 -0.81 -0.38 116.66 117.71 1x5e n ARG 72 Ca -0.03 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1x5e n ARG 72 Cb 0.37 -1.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1x5e n ARG 72 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1x5e n PHE 73 N -1.86 0.00 -3.38 -1.55 3.01 -1.01 -4.96 117.46 107.72 1x5e n PHE 73 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 1x5e n PHE 73 Cb 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.58 -7.33 -2.73 4.37 -0.00 0.58 -4.92 119.36 108.75 1x5e n ILE 74 Ca 0.00 -0.90 -0.42 0.00 -0.00 0.00 0.00 62.75 61.43 1x5e n ILE 74 Cb 0.01 -5.59 -0.03 0.00 -0.00 0.00 0.00 39.64 34.02 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 -3.40 4.15 -0.23 1.39 -1.09 -0.34 -4.83 121.20 116.84 1x5e s ILE 75 Ca 0.22 0.26 -0.05 0.00 -2.23 0.00 0.00 60.65 58.84 1x5e s ILE 75 Cb -0.03 -4.70 -0.18 0.00 -1.58 0.00 0.00 42.46 35.97 1x5e s ILE 75 CO 0.74 -1.42 -0.11 -0.46 -1.23 0.00 0.00 174.94 172.46 1x5e n ASN 76 N 8.16 1.99 -4.66 3.58 0.23 -1.26 -4.92 115.26 118.38 1x5e n ASN 76 Ca 0.02 0.08 -0.28 0.00 -0.53 0.00 0.00 54.58 53.87 1x5e n ASN 76 Cb 0.48 -0.64 -0.08 0.00 -2.08 0.00 0.00 39.78 37.46 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x5e s ALA 77 N -2.51 3.19 0.02 -2.53 0.00 -1.26 -5.14 121.76 113.53 1x5e s ALA 77 Ca -0.33 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 50.32 1x5e s ALA 77 Cb 0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1x5e s ALA 77 CO 0.61 0.59 0.10 -0.51 0.00 0.00 0.00 175.76 176.54 1x5e s LEU 78 N -2.58 1.75 1.02 0.00 1.43 -1.26 -4.29 118.68 114.75 1x5e s LEU 78 Ca 0.26 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1x5e s LEU 78 Cb -0.10 0.57 0.20 0.00 0.03 0.00 0.00 46.19 46.88 1x5e s LEU 78 CO 0.18 -0.43 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 1x5e s PRO 79 N -1.96 0.29 -0.28 1.29 0.04 -1.26 -4.67 135.00 128.46 1x5e s PRO 79 Ca -0.10 0.47 -0.04 0.00 0.04 0.00 0.00 61.00 61.37 1x5e s PRO 79 Cb -0.05 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.92 1x5e s PRO 79 CO -0.02 -2.82 0.55 0.99 0.04 0.00 0.00 177.00 175.74 1x5e s THR 80 N -2.97 -0.88 -0.04 1.26 2.01 -1.01 -4.99 115.64 109.02 1x5e s THR 80 Ca 0.66 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.56 1x5e s THR 80 Cb -0.19 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1x5e s THR 80 CO 0.58 -0.02 0.29 -0.63 -0.69 0.00 0.00 174.62 174.15 1x5e s ILE 81 N 2.78 5.25 -0.06 1.82 1.01 -1.26 -0.92 121.20 129.82 1x5e s ILE 81 Ca 0.10 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.29 1x5e s ILE 81 Cb -0.14 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1x5e s ILE 81 CO -0.18 0.56 -0.14 -0.31 0.00 0.00 0.00 174.94 174.86 1x5e s TYR 82 N -1.09 1.60 -0.31 3.97 2.02 0.11 0.74 117.35 124.38 1x5e s TYR 82 Ca 0.21 -0.56 -0.13 0.00 -0.37 0.00 0.00 57.07 56.22 1x5e s TYR 82 Cb -0.14 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 1x5e s TYR 82 CO 0.10 -0.25 0.28 -1.58 -1.57 0.00 0.00 175.55 172.53 1x5e s HIS 83 N 0.44 3.22 -0.30 2.71 5.65 -0.23 -0.66 115.29 126.12 1x5e s HIS 83 Ca -0.12 0.02 -0.08 0.00 0.25 0.00 0.00 55.06 55.13 1x5e s HIS 83 Cb -0.14 -2.52 0.00 0.00 -1.18 0.00 0.00 32.58 28.74 1x5e s HIS 83 CO 0.04 -0.31 0.11 0.00 -0.65 0.00 0.00 174.74 173.94 1x5e s LYS 85 N 1.56 2.33 -0.86 0.00 2.20 0.10 0.11 119.74 125.18 1x5e s LYS 85 Ca 0.04 -0.69 -0.06 0.00 -0.36 0.00 0.00 55.97 54.90 1x5e s LYS 85 Cb -0.17 -2.27 0.05 0.00 -1.51 0.00 0.00 37.83 33.93 1x5e s LYS 85 CO 0.04 -0.29 0.22 -3.47 -0.36 0.00 0.00 175.35 171.49 1x5e n ASP 86 N 4.72 -2.60 0.00 1.43 2.03 -1.19 0.26 116.55 121.21 1x5e n ASP 86 Ca -0.17 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1x5e n ASP 86 Cb 0.49 -2.24 0.00 0.00 -0.72 0.00 0.00 41.12 38.65 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 -0.84 3.09 3.72 0.27 0.00 -0.96 -4.91 105.19 105.56 1x5e n GLY 87 Ca -0.03 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1x5e n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5e n GLU 88 N 0.00 2.29 -5.11 1.61 -0.58 0.14 -4.90 120.64 114.10 1x5e n GLU 88 Ca 0.00 0.80 -0.32 0.00 -0.42 0.00 0.00 57.16 57.22 1x5e n GLU 88 Cb 0.00 -2.43 -0.16 0.00 -0.57 0.00 0.00 31.44 28.28 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x5e s PHE 89 N -1.08 2.60 -0.20 -0.32 0.40 -1.26 0.00 117.98 118.12 1x5e s PHE 89 Ca 0.55 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1x5e s PHE 89 Cb -0.54 -1.72 0.07 0.00 0.51 0.00 0.00 43.02 41.34 1x5e s PHE 89 CO 0.62 -0.30 0.08 1.03 0.70 0.00 0.00 175.22 177.36 1x5e s ARG 90 N 0.18 0.31 0.79 0.44 0.52 0.28 -2.18 118.95 119.29 1x5e s ARG 90 Ca -0.12 -0.32 -0.15 0.00 -0.52 0.00 0.00 55.73 54.62 1x5e s ARG 90 Cb -0.16 -1.83 -0.00 0.00 0.52 0.00 0.00 34.95 33.47 1x5e s ARG 90 CO 0.07 -0.73 0.60 -2.13 0.02 0.00 0.00 175.30 173.12 1x5e n ARG 91 N 5.18 0.16 -3.13 3.54 0.63 -1.26 -1.06 116.66 120.71 1x5e n ARG 91 Ca -0.07 0.10 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 1x5e n ARG 91 Cb 0.47 -1.93 -0.07 0.00 0.45 0.00 0.00 32.46 31.38 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 -2.05 3.11 -0.81 -0.14 6.14 0.23 -4.76 117.35 119.07 1x5e s TYR 92 Ca 0.65 0.12 0.02 0.00 0.64 0.00 0.00 57.07 58.49 1x5e s TYR 92 Cb -0.31 -3.22 0.21 0.00 0.42 0.00 0.00 41.96 39.06 1x5e s TYR 92 CO 0.59 -0.74 0.72 1.04 0.64 0.00 0.00 175.55 177.80 1x5e n GLN 93 N 6.12 2.46 -0.78 4.97 6.02 -1.26 -4.69 117.38 130.23 1x5e n GLN 93 Ca -0.02 -4.52 0.00 0.00 -0.01 0.00 0.00 57.00 52.45 1x5e n GLN 93 Cb 0.48 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.39 1x5e n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x5e n GLY 94 N 1.92 2.20 0.00 1.08 0.00 -1.26 -5.01 105.19 104.12 1x5e n GLY 94 Ca 0.23 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.11 -4.00 1.61 -0.04 -1.26 -4.87 135.00 126.55 1x5e n PRO 95 Ca 0.00 0.20 -0.30 0.00 -0.04 0.00 0.00 63.50 63.36 1x5e n PRO 95 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.38 -4.18 -4.07 0.54 1.74 -1.26 -4.96 116.66 103.08 1x5e n ARG 96 Ca 0.05 0.48 -0.23 0.00 -0.77 0.00 0.00 57.85 57.39 1x5e n ARG 96 Cb 0.14 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.42 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 -3.50 3.30 0.04 0.55 -4.23 -1.26 -4.93 115.64 105.62 1x5e s THR 97 Ca 0.46 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.17 1x5e s THR 97 Cb -0.24 -3.04 -0.07 0.00 1.34 0.00 0.00 72.50 70.50 1x5e s THR 97 CO 0.87 -0.22 1.24 0.50 -0.54 0.00 0.00 174.62 176.47 1x5e h LYS 98 N 1.53 -0.34 -0.27 3.99 3.64 -1.93 0.26 116.57 123.45 1x5e h LYS 98 Ca -0.44 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1x5e h LYS 98 Cb 1.25 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 1x5e h LYS 98 CO 0.62 -0.23 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.90 1x5e h LYS 99 N -0.36 -0.41 -0.50 1.90 3.11 -1.97 -2.20 116.57 116.14 1x5e h LYS 99 Ca -0.01 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 57.93 1x5e h LYS 99 Cb 0.35 0.09 -0.09 0.00 -1.00 0.00 0.00 32.23 31.57 1x5e h LYS 99 CO -0.11 -0.27 -0.50 0.22 -2.81 0.00 0.00 179.45 175.99 1x5e h ASP 100 N -0.42 -1.68 -0.59 4.20 3.58 -1.94 -2.20 116.42 117.37 1x5e h ASP 100 Ca 0.10 0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.85 1x5e h ASP 100 Cb 0.61 0.72 -0.07 0.00 1.72 0.00 0.00 39.33 42.31 1x5e h ASP 100 CO -0.49 -0.37 -0.35 0.49 -2.88 0.00 0.00 179.24 175.64 1x5e n PHE 101 N -5.39 -0.26 -0.08 0.28 3.72 0.07 -1.55 117.46 114.25 1x5e n PHE 101 Ca -0.01 0.74 -0.02 0.00 -0.05 0.00 0.00 57.45 58.11 1x5e n PHE 101 Cb 0.34 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 1x5e n PHE 101 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1x5e n ILE 102 N -4.35 -0.13 -0.19 4.37 -0.00 -0.83 0.65 119.36 118.88 1x5e n ILE 102 Ca 0.01 1.16 -0.01 0.00 -0.00 0.00 0.00 62.75 63.91 1x5e n ILE 102 Cb 0.15 -1.50 0.06 0.00 -0.00 0.00 0.00 39.64 38.35 1x5e n ILE 102 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1x5e h ASN 103 N 0.00 -0.48 -0.11 4.38 2.35 -1.27 0.67 115.58 121.12 1x5e h ASN 103 Ca 0.03 0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1x5e h ASN 103 Cb 0.08 0.33 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1x5e h ASN 103 CO -0.18 -0.17 0.47 0.15 -1.65 0.00 0.00 177.43 176.05 1x5e h PHE 104 N 0.02 0.00 0.00 1.19 3.57 0.12 1.29 116.94 123.12 1x5e h PHE 104 Ca 0.28 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.56 1x5e h PHE 104 Cb 0.43 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1x5e h PHE 104 CO -0.45 0.00 -1.72 -0.89 -2.23 0.00 0.00 178.31 173.03 1x5e n ILE 105 N -3.00 1.51 0.03 1.41 2.08 0.20 -3.30 119.36 118.29 1x5e n ILE 105 Ca 0.01 -0.11 -0.12 0.00 0.56 0.00 0.00 62.75 63.09 1x5e n ILE 105 Cb 0.54 -2.13 -0.09 0.00 -0.75 0.00 0.00 39.64 37.21 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 -0.12 0.00 4.38 0.87 -0.05 -2.98 113.55 114.65 1x5e h SER 106 Ca -0.34 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1x5e h SER 106 Cb 1.28 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1x5e h SER 106 CO -0.20 0.40 0.00 0.47 -0.53 0.00 0.00 176.83 176.96 1x5e n ASP 107 N -4.91 0.00 -4.03 6.23 9.92 0.44 -4.87 116.55 119.32 1x5e n ASP 107 Ca -0.08 -1.02 -0.32 0.00 -0.53 0.00 0.00 54.79 52.83 1x5e n ASP 107 Cb 0.27 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.71 1x5e n ASP 107 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1x5e n LYS 108 N -0.79 -0.67 0.28 -1.24 5.02 -1.02 -4.76 118.16 114.98 1x5e n LYS 108 Ca 0.10 0.02 0.17 0.00 -2.02 0.00 0.00 58.31 56.58 1x5e n LYS 108 Cb 0.05 -2.49 0.77 0.00 -0.02 0.00 0.00 35.03 33.34 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 -1.51 0.00 -1.09 1.97 5.08 -1.68 -2.96 114.58 114.39 1x5e h GLU 109 Ca -0.57 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.08 1x5e h GLU 109 Cb 1.17 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1x5e h GLU 109 CO 0.52 0.05 0.73 0.11 -1.00 0.00 0.00 179.01 179.42 1x5e h TRP 110 N 0.00 0.45 -0.87 4.33 5.08 -1.86 0.14 115.95 123.22 1x5e h TRP 110 Ca -0.00 0.02 0.19 0.00 1.08 0.00 0.00 58.89 60.17 1x5e h TRP 110 Cb 0.41 -0.13 -0.11 0.00 -3.00 0.00 0.00 29.16 26.33 1x5e h TRP 110 CO 0.00 0.03 0.40 0.87 -1.28 0.00 0.00 178.44 178.45 1x5e h LYS 111 N 0.25 0.47 -0.18 0.12 6.56 -1.88 0.33 116.57 122.25 1x5e h LYS 111 Ca 0.59 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 60.12 1x5e h LYS 111 Cb 1.78 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 33.33 1x5e h LYS 111 CO -0.22 0.31 -0.07 1.03 -2.06 0.00 0.00 179.45 178.44 1x5e h SER 112 N 0.48 0.25 -3.46 0.86 0.87 -0.97 -3.42 113.55 108.17 1x5e h SER 112 Ca 0.51 -0.04 -0.54 0.00 -1.23 0.00 0.00 61.79 60.49 1x5e h SER 112 Cb 0.87 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1x5e h SER 112 CO -0.46 0.37 0.21 -0.63 -0.53 0.00 0.00 176.83 175.79 1x5e s ILE 113 N -4.84 4.67 0.28 2.23 1.01 0.12 -5.05 121.20 119.62 1x5e s ILE 113 Ca -0.06 1.73 -0.24 0.00 0.00 0.00 0.00 60.65 62.08 1x5e s ILE 113 Cb 0.16 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 1x5e s ILE 113 CO 0.73 0.36 0.87 -1.61 0.00 0.00 0.00 174.94 175.29 1x5e s GLU 114 N -0.07 4.49 0.80 2.79 2.02 -1.26 -4.93 118.70 122.54 1x5e s GLU 114 Ca 0.40 1.19 -0.11 0.00 0.02 0.00 0.00 54.97 56.47 1x5e s GLU 114 Cb -0.21 -2.86 0.07 0.00 0.10 0.00 0.00 34.13 31.23 1x5e s GLU 114 CO 0.25 0.34 1.09 -1.25 0.02 0.00 0.00 175.26 175.70 1x5e s PRO 115 N -1.95 2.05 1.02 0.39 0.04 -1.26 -4.53 135.00 130.76 1x5e s PRO 115 Ca 0.47 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 1x5e s PRO 115 Cb -0.18 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.68 1x5e s PRO 115 CO 0.23 -1.77 1.08 0.14 0.04 0.00 0.00 177.00 176.73 1x5e s VAL 116 N -2.91 2.10 0.10 -0.36 -7.23 -0.93 -4.94 120.40 106.23 1x5e s VAL 116 Ca 0.62 0.03 -0.23 0.00 -1.81 0.00 0.00 61.98 60.59 1x5e s VAL 116 Cb -0.17 -2.46 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 1x5e s VAL 116 CO 0.56 -0.04 1.39 0.28 -0.31 0.00 0.00 175.10 176.98 1x5e h SER 117 N -1.99 -1.38 -5.63 4.85 0.02 -1.96 -3.47 113.55 104.00 1x5e h SER 117 Ca -0.55 0.19 0.26 0.00 -0.84 0.00 0.00 61.79 60.84 1x5e h SER 117 Cb 1.33 0.58 -0.06 0.00 0.14 0.00 0.00 62.40 64.39 1x5e h SER 117 CO 0.56 -0.25 0.74 -0.55 -1.14 0.00 0.00 176.83 176.19 1x5e s SER 118 N -4.47 -0.01 0.11 3.07 0.15 -1.26 -5.03 113.70 106.26 1x5e s SER 118 Ca -0.10 -0.41 0.15 0.00 0.70 0.00 0.00 55.95 56.30 1x5e s SER 118 Cb 0.06 0.31 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 1x5e s SER 118 CO 0.43 -0.62 1.01 -0.25 1.20 0.00 0.00 173.24 175.01 1x5e h TRP 119 N 2.00 0.00 -6.64 3.44 -0.00 -1.94 -3.48 115.95 109.34 1x5e h TRP 119 Ca -0.25 0.00 -0.32 0.00 -0.00 0.00 0.00 58.89 58.31 1x5e h TRP 119 Cb 1.20 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 30.30 1x5e h TRP 119 CO 1.23 0.63 -0.52 0.34 -0.00 0.00 0.00 178.44 180.12 1x5e n PHE 120 N -3.03 -0.68 -3.15 2.65 7.35 -1.26 -4.86 117.46 114.48 1x5e n PHE 120 Ca -0.06 0.17 0.04 0.00 -0.76 0.00 0.00 57.45 56.84 1x5e n PHE 120 Cb 0.84 -1.45 -0.01 0.00 0.35 0.00 0.00 39.48 39.22 1x5e n PHE 120 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1x5e s SER 121 N -3.98 -1.45 -0.30 -2.13 0.15 -1.26 -5.08 113.70 99.66 1x5e s SER 121 Ca 0.13 0.53 -0.13 0.00 0.70 0.00 0.00 55.95 57.18 1x5e s SER 121 Cb -0.07 2.06 0.18 0.00 -1.71 0.00 0.00 66.02 66.48 1x5e s SER 121 CO 0.52 -0.27 1.07 -0.83 1.20 0.00 0.00 173.24 174.93 1x5e s GLY 122 N 2.85 -0.51 -0.50 9.45 0.00 -1.26 -5.12 107.32 112.24 1x5e s GLY 122 Ca 0.16 2.59 -0.27 0.00 0.00 0.00 0.00 44.72 47.19 1x5e s GLY 122 CO -0.23 3.93 1.79 2.56 0.00 0.00 0.00 173.10 181.16 1x5e s PRO 123 N 2.96 2.96 -0.49 2.90 0.04 -1.26 -4.92 135.00 137.18 1x5e s PRO 123 Ca 0.07 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1x5e s PRO 123 Cb -0.07 -4.29 0.15 0.00 0.04 0.00 0.00 34.50 30.33 1x5e s PRO 123 CO -0.15 -2.32 0.32 -1.12 0.04 0.00 0.00 177.00 173.78 1x5e s SER 124 N 6.99 3.34 0.05 6.66 0.01 -1.26 -5.08 113.70 124.40 1x5e s SER 124 Ca 0.71 -3.02 -0.27 0.00 1.31 0.00 0.00 55.95 54.68 1x5e s SER 124 Cb -0.16 -1.01 0.09 0.00 0.21 0.00 0.00 66.02 65.16 1x5e s SER 124 CO 0.26 -0.20 0.81 -0.44 0.41 0.00 0.00 173.24 174.08 1x5e s SER 125 N -0.13 -0.41 0.00 2.44 0.01 -1.26 -5.32 113.70 109.02 1x5e s SER 125 Ca 0.23 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1x5e s SER 125 Cb -0.12 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1x5e s SER 125 CO -0.09 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.44