#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 1.17 0.00 1.61 1.04 -1.26 -5.02 113.70 111.25 1x5e s SER 2 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1x5e s SER 2 Cb 0.00 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1x5e s SER 2 CO 0.00 0.05 0.00 -0.24 0.98 0.00 0.00 173.24 174.03 1x5e n SER 3 N 3.39 0.19 -4.21 7.02 2.88 -1.26 -4.94 113.62 116.70 1x5e n SER 3 Ca -0.19 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.97 1x5e n SER 3 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 1x5e n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5e n GLY 4 N 1.97 2.40 0.49 0.46 0.00 -1.26 -4.75 105.19 104.49 1x5e n GLY 4 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 1x5e n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5e h SER 5 N 8.05 -1.03 -2.47 1.61 0.02 -2.02 -3.45 113.55 114.26 1x5e h SER 5 Ca 0.39 0.04 -0.55 0.00 -0.84 0.00 0.00 61.79 60.82 1x5e h SER 5 Cb 0.80 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.53 1x5e h SER 5 CO 1.58 -0.74 -0.59 -0.44 -1.14 0.00 0.00 176.83 175.50 1x5e s SER 6 N -4.12 5.16 -0.19 3.07 0.01 -1.26 -4.87 113.70 111.50 1x5e s SER 6 Ca -0.19 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.69 1x5e s SER 6 Cb 0.02 -1.22 0.01 0.00 0.21 0.00 0.00 66.02 65.04 1x5e s SER 6 CO 0.60 0.02 0.17 0.61 0.41 0.00 0.00 173.24 175.06 1x5e n GLY 7 N -0.69 -2.07 0.37 3.44 0.00 -1.26 -4.92 105.19 100.06 1x5e n GLY 7 Ca -0.08 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 1.21 1.04 -3.80 1.61 2.35 -1.89 -3.42 115.58 112.69 1x5e h ASN 8 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1x5e h ASN 8 Cb 0.29 -0.22 0.03 0.00 0.05 0.00 0.00 38.32 38.47 1x5e h ASN 8 CO 0.08 0.68 0.53 -0.69 -1.65 0.00 0.00 177.43 176.38 1x5e s VAL 9 N -6.03 3.27 0.10 2.81 1.01 -1.26 -4.53 120.40 115.78 1x5e s VAL 9 Ca -0.12 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.15 1x5e s VAL 9 Cb 0.20 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1x5e s VAL 9 CO 0.81 0.29 0.10 -0.13 0.00 0.00 0.00 175.10 176.17 1x5e s ARG 10 N -1.43 2.91 -0.48 2.72 1.81 0.21 -4.94 118.95 119.75 1x5e s ARG 10 Ca 0.46 -0.73 -0.11 0.00 -1.72 0.00 0.00 55.73 53.63 1x5e s ARG 10 Cb -0.34 -2.71 0.11 0.00 -0.45 0.00 0.00 34.95 31.55 1x5e s ARG 10 CO 0.44 0.54 0.37 0.08 -0.68 0.00 0.00 175.30 176.06 1x5e s VAL 11 N -1.49 4.53 -0.07 3.52 1.01 -1.26 -0.99 120.40 125.65 1x5e s VAL 11 Ca 0.30 -1.60 -0.27 0.00 0.00 0.00 0.00 61.98 60.41 1x5e s VAL 11 Cb -0.12 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1x5e s VAL 11 CO 0.23 -0.74 0.87 -0.63 0.00 0.00 0.00 175.10 174.83 1x5e s ILE 12 N 1.45 4.92 0.34 2.22 -1.09 -1.24 -4.95 121.20 122.84 1x5e s ILE 12 Ca 0.04 1.79 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 1x5e s ILE 12 Cb -0.26 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.44 1x5e s ILE 12 CO 0.01 0.14 0.15 0.35 -1.23 0.00 0.00 174.94 174.37 1x5e n THR 13 N 4.10 0.00 0.66 2.92 -2.24 -1.26 -4.77 114.28 113.68 1x5e n THR 13 Ca 0.04 -1.46 0.06 0.00 -2.27 0.00 0.00 64.05 60.42 1x5e n THR 13 Cb 0.50 0.01 0.33 0.00 -2.10 0.00 0.00 70.33 69.08 1x5e n THR 13 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x5e n ASP 14 N -1.61 0.00 -0.01 3.42 5.68 -1.26 -2.02 116.55 120.75 1x5e n ASP 14 Ca -0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 54.79 54.15 1x5e n ASP 14 Cb 0.41 -0.19 -0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1x5e n ASP 14 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1x5e n GLU 15 N -1.19 3.61 0.16 0.11 0.28 -1.26 -4.64 120.64 117.71 1x5e n GLU 15 Ca 0.07 -0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.10 1x5e n GLU 15 Cb 0.08 -1.06 0.22 0.00 1.43 0.00 0.00 31.44 32.11 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1x5e h ASN 16 N 0.00 0.00 -0.89 -1.84 -0.73 -1.86 -3.27 115.58 107.00 1x5e h ASN 16 Ca -0.06 0.00 0.31 0.00 1.87 0.00 0.00 56.30 58.42 1x5e h ASN 16 Cb 1.13 0.00 -0.16 0.00 0.27 0.00 0.00 38.32 39.55 1x5e h ASN 16 CO 0.00 0.50 0.25 -2.67 -0.37 0.00 0.00 177.43 175.14 1x5e n TRP 17 N -3.53 0.81 -0.29 0.67 4.27 -0.86 0.11 117.44 118.62 1x5e n TRP 17 Ca -0.00 1.06 0.11 0.00 -3.89 0.00 0.00 57.50 54.78 1x5e n TRP 17 Cb 0.60 -1.32 0.25 0.00 -1.36 0.00 0.00 31.31 29.48 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 0.16 -0.84 -2.67 2.47 -1.88 0.77 114.38 112.39 1x5e h ARG 18 Ca 0.65 -0.01 0.21 0.00 -1.26 0.00 0.00 59.98 59.57 1x5e h ARG 18 Cb 1.56 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 29.80 1x5e h ARG 18 CO -0.76 0.11 0.58 0.93 0.56 0.00 0.00 179.97 181.38 1x5e h GLU 19 N 0.17 0.19 0.00 0.04 4.39 0.51 0.25 114.58 120.13 1x5e h GLU 19 Ca 0.51 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1x5e h GLU 19 Cb 0.99 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1x5e h GLU 19 CO -0.67 0.13 0.30 -0.07 -1.16 0.00 0.00 179.01 177.54 1x5e h LEU 20 N 0.20 0.00 -0.82 1.33 3.38 0.49 0.47 115.31 120.36 1x5e h LEU 20 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1x5e h LEU 20 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1x5e h LEU 20 CO -0.09 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.62 1x5e n LEU 21 N -2.89 1.11 -4.01 1.67 4.77 0.87 -3.89 117.00 114.63 1x5e n LEU 21 Ca -0.02 -0.56 -0.25 0.00 -0.03 0.00 0.00 56.01 55.15 1x5e n LEU 21 Cb 0.35 -0.23 -0.17 0.00 -2.33 0.00 0.00 43.42 41.04 1x5e n LEU 21 CO 0.14 0.23 -0.47 -1.61 -1.33 0.00 0.00 177.39 174.35 1x5e s GLU 22 N -1.66 1.71 0.79 3.23 2.02 0.17 -3.90 118.70 121.06 1x5e s GLU 22 Ca 0.10 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1x5e s GLU 22 Cb 0.06 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1x5e s GLU 22 CO 0.05 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.72 1x5e n GLY 23 N 4.01 -0.55 3.79 -1.39 0.00 -1.26 -4.66 105.19 105.14 1x5e n GLY 23 Ca -0.21 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.00 6.60 -0.17 1.61 1.11 -1.26 -2.10 116.67 118.46 1x5e s ASP 24 Ca 0.00 1.96 -0.07 0.00 0.18 0.00 0.00 52.55 54.61 1x5e s ASP 24 Cb 0.00 -2.57 0.08 0.00 1.07 0.00 0.00 42.92 41.49 1x5e s ASP 24 CO 0.00 -0.60 0.38 0.26 1.18 0.00 0.00 175.17 176.40 1x5e s TRP 25 N -1.84 -0.66 -0.37 4.23 0.52 0.47 -3.59 118.94 117.69 1x5e s TRP 25 Ca 0.62 1.34 -0.12 0.00 0.02 0.00 0.00 56.10 57.96 1x5e s TRP 25 Cb -0.18 0.23 0.02 0.00 -1.15 0.00 0.00 33.47 32.39 1x5e s TRP 25 CO 0.23 -0.41 0.22 -1.64 0.02 0.00 0.00 176.95 175.37 1x5e s MET 26 N 2.16 2.95 0.18 4.98 -1.94 0.96 -0.39 119.30 128.20 1x5e s MET 26 Ca -0.04 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 52.99 1x5e s MET 26 Cb -0.11 -3.76 -0.04 0.00 2.01 0.00 0.00 34.83 32.93 1x5e s MET 26 CO -0.12 -0.66 0.15 0.42 -0.01 0.00 0.00 175.02 174.80 1x5e s ILE 27 N 1.59 4.52 -0.15 2.53 1.01 -0.43 0.02 121.20 130.29 1x5e s ILE 27 Ca 0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 1x5e s ILE 27 Cb -0.19 -3.33 0.08 0.00 0.01 0.00 0.00 42.46 39.03 1x5e s ILE 27 CO 0.07 -0.14 0.24 -1.83 0.00 0.00 0.00 174.94 173.28 1x5e s GLU 28 N -3.22 0.16 -0.36 2.79 -1.05 -1.12 -1.82 118.70 114.07 1x5e s GLU 28 Ca 0.31 0.52 -0.26 0.00 -0.15 0.00 0.00 54.97 55.40 1x5e s GLU 28 Cb -0.10 -0.51 0.01 0.00 -0.44 0.00 0.00 34.13 33.10 1x5e s GLU 28 CO 0.24 -0.44 0.92 -0.06 0.95 0.00 0.00 175.26 176.87 1x5e s PHE 29 N 2.38 3.09 0.38 4.83 0.40 0.76 -2.19 117.98 127.62 1x5e s PHE 29 Ca 0.04 0.78 0.06 0.00 -0.60 0.00 0.00 56.93 57.21 1x5e s PHE 29 Cb -0.13 -3.63 -0.07 0.00 0.51 0.00 0.00 43.02 39.70 1x5e s PHE 29 CO -0.10 -0.81 0.02 1.52 0.70 0.00 0.00 175.22 176.55 1x5e s TYR 30 N 3.45 2.32 -0.07 0.36 -0.85 -1.16 -3.39 117.35 118.01 1x5e s TYR 30 Ca 0.38 -0.76 -0.06 0.00 -0.52 0.00 0.00 57.07 56.11 1x5e s TYR 30 Cb -0.12 -1.59 0.02 0.00 0.38 0.00 0.00 41.96 40.65 1x5e s TYR 30 CO 0.18 0.30 0.18 0.00 -1.52 0.00 0.00 175.55 174.70 1x5e s ALA 31 N -2.91 -0.44 0.27 9.51 0.00 -1.26 -3.36 121.76 123.57 1x5e s ALA 31 Ca 0.35 0.56 0.18 0.00 0.00 0.00 0.00 51.96 53.05 1x5e s ALA 31 Cb 0.09 -0.34 0.78 0.00 0.00 0.00 0.00 23.12 23.65 1x5e s ALA 31 CO 0.17 -0.10 1.80 -1.00 0.00 0.00 0.00 175.76 176.63 1x5e h PRO 32 N 6.08 0.00 -0.69 0.00 0.13 -2.00 -2.72 132.00 132.80 1x5e h PRO 32 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1x5e h PRO 32 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1x5e h PRO 32 CO 0.40 0.36 0.03 -2.67 -0.23 0.00 0.00 178.00 175.88 1x5e n TRP 33 N -3.73 1.70 -4.36 1.56 4.27 -1.26 -4.85 117.44 110.76 1x5e n TRP 33 Ca -0.01 -0.62 -0.29 0.00 -3.89 0.00 0.00 57.50 52.68 1x5e n TRP 33 Cb 0.45 -0.45 -0.17 0.00 -1.36 0.00 0.00 31.31 29.78 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 7.58 0.84 -0.75 0.00 0.13 -1.88 -3.01 132.00 134.90 1x5e h PRO 35 Ca -0.33 -0.44 0.06 0.00 -0.87 0.00 0.00 66.00 64.42 1x5e h PRO 35 Cb 1.17 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1x5e h PRO 35 CO 0.51 1.08 0.44 0.00 -0.23 0.00 0.00 178.00 179.80 1x5e h ALA 36 N 0.74 1.03 -0.42 -0.56 0.00 -1.95 -1.52 119.26 116.58 1x5e h ALA 36 Ca 0.06 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1x5e h ALA 36 Cb 0.92 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1x5e h ALA 36 CO 0.08 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1x5e h GLN 38 N 0.64 0.50 -0.09 0.00 4.20 -1.14 0.49 115.11 119.71 1x5e h GLN 38 Ca 0.13 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1x5e h GLN 38 Cb 0.40 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1x5e h GLN 38 CO 0.01 0.33 -0.51 -0.91 -0.67 0.00 0.00 178.83 177.09 1x5e h ASN 39 N 0.51 0.25 1.11 1.46 2.35 -1.26 -3.01 115.58 117.00 1x5e h ASN 39 Ca 0.24 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.68 1x5e h ASN 39 Cb 0.29 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 1x5e h ASN 39 CO -0.07 0.72 -0.87 0.25 -1.65 0.00 0.00 177.43 175.81 1x5e h LEU 40 N 0.19 0.00 -0.89 1.61 5.85 -1.08 -3.32 115.31 117.66 1x5e h LEU 40 Ca 0.01 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1x5e h LEU 40 Cb 0.96 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.86 1x5e h LEU 40 CO 0.08 0.87 -0.42 0.00 -0.34 0.00 0.00 178.44 178.63 1x5e n GLN 41 N -3.33 -0.29 -0.06 1.25 1.13 0.01 -0.06 117.38 116.04 1x5e n GLN 41 Ca 0.00 1.36 -0.13 0.00 -1.94 0.00 0.00 57.00 56.29 1x5e n GLN 41 Cb 0.88 -2.01 -0.07 0.00 0.11 0.00 0.00 30.24 29.16 1x5e n GLN 41 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1x5e h PRO 42 N 0.00 0.42 -0.92 -1.09 0.13 -1.73 -3.05 132.00 125.76 1x5e h PRO 42 Ca 0.24 -0.22 0.18 0.00 -0.87 0.00 0.00 66.00 65.33 1x5e h PRO 42 Cb 0.46 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.52 1x5e h PRO 42 CO -0.87 0.78 0.60 0.93 -0.23 0.00 0.00 178.00 179.21 1x5e h GLU 43 N 0.07 0.54 0.17 0.86 3.07 -1.08 -1.67 114.58 116.54 1x5e h GLU 43 Ca 0.03 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1x5e h GLU 43 Cb 0.71 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1x5e h GLU 43 CO 0.04 0.36 -0.08 2.35 -1.40 0.00 0.00 179.01 180.28 1x5e h TRP 44 N 0.56 -0.21 -0.52 4.33 2.91 -0.42 -2.80 115.95 119.80 1x5e h TRP 44 Ca 0.49 -0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.60 1x5e h TRP 44 Cb 0.99 0.07 -0.10 0.00 -0.51 0.00 0.00 29.16 29.61 1x5e h TRP 44 CO -0.00 0.14 -0.13 0.93 -1.03 0.00 0.00 178.44 178.35 1x5e h GLU 45 N -0.59 0.00 -0.50 2.65 5.08 -1.22 0.23 114.58 120.23 1x5e h GLU 45 Ca -0.02 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1x5e h GLU 45 Cb 0.44 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1x5e h GLU 45 CO 0.04 0.00 0.34 0.77 -1.00 0.00 0.00 179.01 179.15 1x5e h SER 46 N 0.00 0.32 0.41 1.42 0.02 -1.40 -2.70 113.55 111.63 1x5e h SER 46 Ca 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1x5e h SER 46 Cb 0.38 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1x5e h SER 46 CO -0.53 0.21 -0.20 0.15 -1.14 0.00 0.00 176.83 175.32 1x5e h PHE 47 N 0.37 -0.51 -1.21 3.45 3.57 -0.33 -3.13 116.94 119.14 1x5e h PHE 47 Ca 0.22 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 62.06 1x5e h PHE 47 Cb 0.41 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1x5e h PHE 47 CO -0.00 -0.23 1.00 0.00 -2.23 0.00 0.00 178.31 176.85 1x5e h ALA 48 N -0.88 3.11 -0.23 2.41 0.00 -0.90 -0.66 119.26 122.11 1x5e h ALA 48 Ca -0.06 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1x5e h ALA 48 Cb 0.52 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1x5e h ALA 48 CO 0.09 -1.62 -0.52 0.93 0.00 0.00 0.00 179.25 178.13 1x5e h GLU 49 N 0.00 -0.48 -0.01 0.00 5.08 -1.42 -1.71 114.58 116.04 1x5e h GLU 49 Ca 0.58 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.97 1x5e h GLU 49 Cb 2.56 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.92 1x5e h GLU 49 CO -0.01 -0.32 -0.40 -2.67 -1.00 0.00 0.00 179.01 174.61 1x5e n TRP 50 N -5.42 0.00 -0.00 4.33 4.27 -0.44 -4.49 117.44 115.69 1x5e n TRP 50 Ca -0.05 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.56 1x5e n TRP 50 Cb 0.37 -0.15 -0.00 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 -1.89 0.87 -1.67 0.00 -0.20 -0.06 103.07 105.08 1x5e h GLY 51 Ca 0.00 0.81 0.15 0.00 0.00 0.00 0.00 47.33 48.30 1x5e h GLY 51 CO 0.00 -0.72 0.41 1.05 0.00 0.00 0.00 176.54 177.28 1x5e h GLU 52 N -0.01 0.09 -0.30 4.80 -0.00 -1.55 0.11 114.58 117.72 1x5e h GLU 52 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1x5e h GLU 52 Cb 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.72 1x5e h GLU 52 CO -0.01 0.06 0.10 -0.44 -0.00 0.00 0.00 179.01 178.72 1x5e h ASP 53 N 0.09 0.38 -0.39 3.06 5.19 -1.31 -0.80 116.42 122.64 1x5e h ASP 53 Ca 0.28 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1x5e h ASP 53 Cb 0.99 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1x5e h ASP 53 CO -0.03 0.36 0.00 0.18 -3.12 0.00 0.00 179.24 176.64 1x5e n LEU 54 N -4.40 3.33 -2.86 1.55 4.77 0.37 -4.91 117.00 114.86 1x5e n LEU 54 Ca 0.01 -1.68 -0.12 0.00 -0.03 0.00 0.00 56.01 54.19 1x5e n LEU 54 Cb 0.15 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1x5e n LEU 54 CO 0.36 0.52 0.05 -0.62 -1.33 0.00 0.00 177.39 176.38 1x5e n GLU 55 N 0.54 -3.44 -3.75 3.23 1.02 -0.31 -4.95 120.64 112.99 1x5e n GLU 55 Ca 0.16 0.66 -0.13 0.00 -0.02 0.00 0.00 57.16 57.83 1x5e n GLU 55 Cb 0.66 -4.97 -0.10 0.00 -0.02 0.00 0.00 31.44 27.01 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 -3.29 0.01 0.08 2.62 0.11 -1.10 -4.87 120.40 113.95 1x5e s VAL 56 Ca 0.17 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1x5e s VAL 56 Cb -0.02 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1x5e s VAL 56 CO 0.57 -0.03 0.33 0.20 -3.33 0.00 0.00 175.10 172.84 1x5e s ASN 57 N 0.02 6.51 -0.00 3.54 0.01 -1.24 -2.42 114.94 121.36 1x5e s ASN 57 Ca -0.02 0.59 0.05 0.00 -0.71 0.00 0.00 52.86 52.78 1x5e s ASN 57 Cb -0.03 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.52 1x5e s ASN 57 CO 0.01 0.15 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.96 1x5e s ILE 58 N -1.47 1.28 0.19 0.60 1.09 -1.26 -0.03 121.20 121.59 1x5e s ILE 58 Ca 0.34 -0.75 -0.10 0.00 -1.10 0.00 0.00 60.65 59.04 1x5e s ILE 58 Cb -0.13 -1.08 -0.01 0.00 -1.06 0.00 0.00 42.46 40.19 1x5e s ILE 58 CO 0.21 0.31 0.33 0.00 -0.10 0.00 0.00 174.94 175.68 1x5e s ALA 59 N -0.45 -0.01 -0.02 9.38 0.00 0.10 0.67 121.76 131.43 1x5e s ALA 59 Ca 0.06 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1x5e s ALA 59 Cb -0.07 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1x5e s ALA 59 CO -0.00 -0.69 -0.07 -1.59 0.00 0.00 0.00 175.76 173.40 1x5e s LYS 60 N -3.99 0.76 -0.12 0.00 -2.85 -0.16 -2.78 119.74 110.60 1x5e s LYS 60 Ca 0.19 -0.25 -0.02 0.00 -1.00 0.00 0.00 55.97 54.89 1x5e s LYS 60 Cb 0.03 -0.73 -0.03 0.00 -2.06 0.00 0.00 37.83 35.03 1x5e s LYS 60 CO 0.03 0.10 -0.03 0.08 0.10 0.00 0.00 175.35 175.63 1x5e s VAL 61 N 0.13 3.99 -0.31 1.79 1.01 -0.93 -3.73 120.40 122.36 1x5e s VAL 61 Ca -0.02 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1x5e s VAL 61 Cb -0.07 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1x5e s VAL 61 CO 0.00 0.54 0.31 -0.62 0.00 0.00 0.00 175.10 175.34 1x5e s ASP 62 N -0.19 6.15 -0.07 3.32 2.15 -1.26 -2.96 116.67 123.82 1x5e s ASP 62 Ca 0.04 -0.04 0.01 0.00 0.43 0.00 0.00 52.55 52.99 1x5e s ASP 62 Cb -0.13 -2.18 0.11 0.00 -0.30 0.00 0.00 42.92 40.43 1x5e s ASP 62 CO 0.02 -0.22 1.08 1.33 -0.17 0.00 0.00 175.17 177.22 1x5e n VAL 63 N 5.15 1.22 0.00 1.11 0.24 -1.21 -2.11 118.33 122.72 1x5e n VAL 63 Ca -0.10 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1x5e n VAL 63 Cb 0.50 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 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 0.21 0.00 -0.08 3.34 -2.24 -1.26 -4.85 114.28 109.40 1x5e n THR 64 Ca 0.09 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.79 1x5e n THR 64 Cb 0.65 -0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.26 1.03 -3.52 -0.78 -0.58 -1.22 -4.77 120.64 109.54 1x5e n GLU 65 Ca 0.00 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 1x5e n GLU 65 Cb 0.20 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 1x5e n GLU 65 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1x5e s GLN 66 N -2.50 3.19 0.37 3.49 -1.52 -0.90 -4.89 119.66 116.90 1x5e s GLN 66 Ca -0.09 -2.62 0.16 0.00 -1.95 0.00 0.00 55.36 50.86 1x5e s GLN 66 Cb 0.06 -4.11 0.72 0.00 -0.22 0.00 0.00 33.01 29.46 1x5e s GLN 66 CO 0.74 -1.24 1.78 -1.00 -0.25 0.00 0.00 175.29 175.33 1x5e h PRO 67 N 7.23 0.00 0.21 2.91 0.13 -1.86 -3.16 132.00 137.45 1x5e h PRO 67 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1x5e h PRO 67 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1x5e h PRO 67 CO 0.76 0.39 -0.10 0.78 -0.23 0.00 0.00 178.00 179.60 1x5e h GLY 68 N 1.56 -0.29 -0.66 1.56 0.00 -1.96 -2.92 103.07 100.35 1x5e h GLY 68 Ca -0.00 0.11 0.16 0.00 0.00 0.00 0.00 47.33 47.59 1x5e h GLY 68 CO 0.05 -0.11 -0.25 1.41 0.00 0.00 0.00 176.54 177.65 1x5e h LEU 69 N -0.43 -0.91 -1.25 3.11 3.38 -1.94 0.75 115.31 118.02 1x5e h LEU 69 Ca -0.03 0.25 0.20 0.00 0.09 0.00 0.00 57.88 58.39 1x5e h LEU 69 Cb 0.21 0.55 -0.09 0.00 0.09 0.00 0.00 40.66 41.43 1x5e h LEU 69 CO 0.05 -0.28 0.61 -1.28 0.09 0.00 0.00 178.44 177.63 1x5e h SER 70 N -0.03 0.60 0.17 -0.43 0.87 -1.64 0.25 113.55 113.35 1x5e h SER 70 Ca 0.37 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 1x5e h SER 70 Cb 0.60 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1x5e h SER 70 CO -0.84 0.22 -0.08 1.23 -0.53 0.00 0.00 176.83 176.83 1x5e h GLY 71 N 0.59 -0.24 0.55 5.77 0.00 0.65 -3.38 103.07 107.01 1x5e h GLY 71 Ca 0.53 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.93 1x5e h GLY 71 CO -0.28 -0.09 -0.29 3.21 0.00 0.00 0.00 176.54 179.09 1x5e h ARG 72 N -0.95 -0.75 -5.12 4.80 3.08 -0.68 -3.32 114.38 111.45 1x5e h ARG 72 Ca -0.02 0.05 -0.43 0.00 0.07 0.00 0.00 59.98 59.65 1x5e h ARG 72 Cb 0.46 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1x5e h ARG 72 CO 0.04 -0.50 1.42 1.19 -1.07 0.00 0.00 179.97 181.05 1x5e n PHE 73 N -4.18 2.26 -0.93 3.04 3.72 0.85 -4.88 117.46 117.34 1x5e n PHE 73 Ca -0.10 -1.47 -0.36 0.00 -0.05 0.00 0.00 57.45 55.47 1x5e n PHE 73 Cb 0.31 -2.26 -0.05 0.00 -0.94 0.00 0.00 39.48 36.54 1x5e n PHE 73 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1x5e n ILE 74 N 7.27 0.00 0.00 4.37 -0.00 -1.25 -4.74 119.36 125.01 1x5e n ILE 74 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.21 1x5e n ILE 74 Cb 0.44 -0.19 0.00 0.00 -0.00 0.00 0.00 39.64 39.89 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1x5e n ILE 75 N 1.80 0.00 -2.06 7.28 2.08 -1.26 -4.96 119.36 122.23 1x5e n ILE 75 Ca 0.15 0.00 -0.03 0.00 0.56 0.00 0.00 62.75 63.44 1x5e n ILE 75 Cb -0.01 -0.71 -0.00 0.00 -0.75 0.00 0.00 39.64 38.16 1x5e n ILE 75 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1x5e n ASN 76 N -1.65 -1.40 -3.65 4.38 3.02 -1.26 -4.79 115.26 109.91 1x5e n ASN 76 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1x5e n ASN 76 Cb 0.00 -1.41 -0.06 0.00 -0.61 0.00 0.00 39.78 37.70 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5e s ALA 77 N -1.87 -2.52 0.02 5.41 0.00 -1.26 -5.18 121.76 116.36 1x5e s ALA 77 Ca 0.00 2.06 -0.06 0.00 0.00 0.00 0.00 51.96 53.96 1x5e s ALA 77 Cb 0.00 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 1x5e s ALA 77 CO 0.00 -0.32 0.10 -0.51 0.00 0.00 0.00 175.76 175.03 1x5e s LEU 78 N 1.13 1.71 1.01 0.00 1.43 -1.26 -4.27 118.68 118.43 1x5e s LEU 78 Ca -0.08 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.55 1x5e s LEU 78 Cb -0.03 0.58 0.20 0.00 0.03 0.00 0.00 46.19 46.97 1x5e s LEU 78 CO -0.12 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 174.99 1x5e s PRO 79 N -1.75 0.30 -0.24 1.29 0.04 -1.26 -4.95 135.00 128.43 1x5e s PRO 79 Ca -0.12 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.25 1x5e s PRO 79 Cb -0.06 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.82 1x5e s PRO 79 CO -0.00 -2.81 0.60 0.99 0.04 0.00 0.00 177.00 175.81 1x5e s THR 80 N -2.97 -0.01 0.02 1.26 2.01 -1.22 -5.02 115.64 109.72 1x5e s THR 80 Ca 0.66 0.03 0.08 0.00 0.31 0.00 0.00 61.69 62.76 1x5e s THR 80 Cb -0.19 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 1x5e s THR 80 CO 0.58 0.01 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.65 1x5e s ILE 81 N 1.30 2.33 -0.07 1.82 1.01 -1.26 -0.17 121.20 126.16 1x5e s ILE 81 Ca -0.08 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.37 1x5e s ILE 81 Cb -0.06 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1x5e s ILE 81 CO -0.14 0.43 -0.11 -0.31 0.00 0.00 0.00 174.94 174.81 1x5e s TYR 82 N -0.77 1.44 -0.45 3.97 2.02 -0.76 -1.44 117.35 121.36 1x5e s TYR 82 Ca 0.12 -0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 56.13 1x5e s TYR 82 Cb -0.10 -1.08 0.07 0.00 -0.40 0.00 0.00 41.96 40.45 1x5e s TYR 82 CO 0.02 -0.30 0.35 -1.58 -1.57 0.00 0.00 175.55 172.46 1x5e s HIS 83 N 0.80 3.27 -0.28 2.71 5.65 0.32 -1.31 115.29 126.45 1x5e s HIS 83 Ca -0.12 -1.06 -0.11 0.00 0.25 0.00 0.00 55.06 54.02 1x5e s HIS 83 Cb -0.15 -3.05 -0.05 0.00 -1.18 0.00 0.00 32.58 28.15 1x5e s HIS 83 CO 0.02 -0.79 0.18 0.00 -0.65 0.00 0.00 174.74 173.50 1x5e s LYS 85 N 1.74 1.74 -1.16 0.00 2.20 -0.33 0.18 119.74 124.11 1x5e s LYS 85 Ca 0.07 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.24 1x5e s LYS 85 Cb -0.16 -1.70 0.09 0.00 -1.51 0.00 0.00 37.83 34.55 1x5e s LYS 85 CO 0.11 -0.23 0.40 -0.25 -0.36 0.00 0.00 175.35 175.02 1x5e n ASP 86 N 4.80 -2.90 0.00 1.43 8.00 -0.89 -0.24 116.55 126.74 1x5e n ASP 86 Ca -0.14 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1x5e n ASP 86 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.15 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5e n GLY 87 N -1.02 3.03 3.46 0.44 0.00 -1.25 -4.88 105.19 104.98 1x5e n GLY 87 Ca 0.01 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 0.38 -3.93 1.61 -0.58 0.67 -4.90 120.64 113.89 1x5e n GLU 88 Ca 0.00 0.16 -0.28 0.00 -0.42 0.00 0.00 57.16 56.63 1x5e n GLU 88 Cb 0.00 -1.78 -0.17 0.00 -0.57 0.00 0.00 31.44 28.92 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 -1.84 1.66 -0.17 -0.32 0.40 -1.26 -1.19 117.98 115.26 1x5e s PHE 89 Ca 0.66 -0.87 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1x5e s PHE 89 Cb -0.38 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1x5e s PHE 89 CO 0.57 -0.56 -0.03 1.03 0.70 0.00 0.00 175.22 176.93 1x5e s ARG 90 N 1.65 1.26 0.18 0.44 0.52 0.18 -1.57 118.95 121.61 1x5e s ARG 90 Ca 0.05 -0.51 -0.32 0.00 -0.52 0.00 0.00 55.73 54.43 1x5e s ARG 90 Cb -0.13 -2.01 -0.12 0.00 0.52 0.00 0.00 34.95 33.21 1x5e s ARG 90 CO -0.09 -0.48 1.72 -2.13 0.02 0.00 0.00 175.30 174.35 1x5e n ARG 91 N 4.90 2.66 -0.09 3.54 0.63 -1.26 -0.52 116.66 126.51 1x5e n ARG 91 Ca -0.11 0.96 -0.11 0.00 -0.92 0.00 0.00 57.85 57.67 1x5e n ARG 91 Cb 0.47 -2.80 -0.08 0.00 0.45 0.00 0.00 32.46 30.51 1x5e n ARG 91 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1x5e h TYR 92 N 6.95 -1.29 -5.56 -0.14 3.20 -1.59 -3.46 116.97 115.09 1x5e h TYR 92 Ca -0.44 0.06 -0.32 0.00 3.14 0.00 0.00 58.73 61.17 1x5e h TYR 92 Cb 1.22 0.60 0.16 0.00 1.54 0.00 0.00 36.73 40.25 1x5e h TYR 92 CO 0.67 -0.38 -0.74 1.04 -1.64 0.00 0.00 178.16 177.10 1x5e n GLN 93 N -4.73 -6.52 -4.40 1.82 6.02 -1.26 -5.01 117.38 103.30 1x5e n GLN 93 Ca -0.03 0.83 -0.23 0.00 -0.01 0.00 0.00 57.00 57.56 1x5e n GLN 93 Cb 0.26 -5.78 -0.08 0.00 1.02 0.00 0.00 30.24 25.66 1x5e n GLN 93 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1x5e s GLY 94 N -4.27 2.50 0.52 1.08 0.00 -1.26 -5.04 107.32 100.85 1x5e s GLY 94 Ca 0.03 -1.63 0.33 0.00 0.00 0.00 0.00 44.72 43.45 1x5e s GLY 94 CO 0.71 -1.65 1.97 -0.56 0.00 0.00 0.00 173.10 173.57 1x5e h PRO 95 N 1.95 0.00 -3.47 2.90 0.13 -2.00 -3.47 132.00 128.04 1x5e h PRO 95 Ca -0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.69 1x5e h PRO 95 Cb 1.25 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.45 1x5e h PRO 95 CO 0.45 0.00 -0.32 0.54 -0.23 0.00 0.00 178.00 178.45 1x5e n ARG 96 N -2.98 -2.88 -5.14 0.86 1.74 -1.26 -5.05 116.66 101.95 1x5e n ARG 96 Ca 0.01 0.36 -0.32 0.00 -0.77 0.00 0.00 57.85 57.13 1x5e n ARG 96 Cb 0.29 -3.92 -0.15 0.00 -1.02 0.00 0.00 32.46 27.65 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 -3.15 2.42 0.10 0.55 -4.23 -1.26 -4.93 115.64 105.14 1x5e s THR 97 Ca 0.04 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.41 1x5e s THR 97 Cb -0.02 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1x5e s THR 97 CO 0.31 0.58 0.99 1.17 -0.54 0.00 0.00 174.62 177.12 1x5e n LYS 98 N 2.61 -0.26 0.02 3.99 4.81 -1.26 -0.99 118.16 127.07 1x5e n LYS 98 Ca -0.17 0.97 -0.03 0.00 -0.87 0.00 0.00 58.31 58.20 1x5e n LYS 98 Cb 0.52 -1.42 -0.02 0.00 0.02 0.00 0.00 35.03 34.12 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 -0.15 -0.86 1.64 3.64 -1.97 -2.75 116.57 116.11 1x5e h LYS 99 Ca 0.10 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1x5e h LYS 99 Cb 0.25 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 31.99 1x5e h LYS 99 CO -0.57 -0.10 -0.47 -0.25 -2.27 0.00 0.00 179.45 175.80 1x5e n ASP 100 N -3.13 -0.83 -0.19 4.20 8.00 -0.18 -0.99 116.55 123.45 1x5e n ASP 100 Ca -0.02 1.53 -0.05 0.00 0.71 0.00 0.00 54.79 56.96 1x5e n ASP 100 Cb 0.09 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1x5e n PHE 101 N -5.13 -0.20 -0.08 1.24 3.72 -0.17 -1.39 117.46 115.47 1x5e n PHE 101 Ca 0.04 0.55 -0.02 0.00 -0.05 0.00 0.00 57.45 57.97 1x5e n PHE 101 Cb 0.26 -0.50 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 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 -4.01 -0.13 -0.24 4.37 -0.00 -0.16 -0.37 119.36 118.81 1x5e n ILE 102 Ca 0.01 1.44 -0.03 0.00 -0.00 0.00 0.00 62.75 64.17 1x5e n ILE 102 Cb 0.12 -1.87 0.03 0.00 -0.00 0.00 0.00 39.64 37.91 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 -1.07 -1.25 4.38 2.35 -1.19 0.82 115.58 119.61 1x5e h ASN 103 Ca 0.03 0.24 0.36 0.00 -0.55 0.00 0.00 56.30 56.38 1x5e h ASN 103 Cb 0.08 0.57 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 1x5e h ASN 103 CO -0.18 -0.29 0.89 0.15 -1.65 0.00 0.00 177.43 176.35 1x5e h PHE 104 N -0.10 0.09 0.00 1.19 3.57 0.48 1.02 116.94 123.19 1x5e h PHE 104 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1x5e h PHE 104 Cb 0.56 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1x5e h PHE 104 CO -0.66 -0.00 -0.36 -0.89 -2.23 0.00 0.00 178.31 174.17 1x5e n ILE 105 N -4.22 0.97 0.12 1.41 2.08 0.25 -2.03 119.36 117.94 1x5e n ILE 105 Ca 0.28 0.31 -0.13 0.00 0.56 0.00 0.00 62.75 63.77 1x5e n ILE 105 Cb 1.29 -2.11 -0.06 0.00 -0.75 0.00 0.00 39.64 38.01 1x5e n ILE 105 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1x5e h SER 106 N -0.69 -0.64 0.00 4.38 4.64 -0.23 -0.12 113.55 120.90 1x5e h SER 106 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1x5e h SER 106 Cb 0.36 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1x5e h SER 106 CO 0.00 -0.32 0.00 0.47 -0.87 0.00 0.00 176.83 176.11 1x5e n ASP 107 N -5.35 0.00 -3.94 4.97 8.00 0.35 -4.86 116.55 115.72 1x5e n ASP 107 Ca -0.07 -1.62 -0.30 0.00 0.71 0.00 0.00 54.79 53.51 1x5e n ASP 107 Cb 0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.57 -0.85 -0.06 -1.24 5.02 -0.06 -4.70 118.16 115.70 1x5e n LYS 108 Ca 0.03 0.09 0.24 0.00 -2.02 0.00 0.00 58.31 56.66 1x5e n LYS 108 Cb 0.01 -3.36 0.72 0.00 -0.02 0.00 0.00 35.03 32.38 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 -0.92 0.00 -0.90 1.97 5.08 -1.54 0.48 114.58 118.75 1x5e h GLU 109 Ca -0.50 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.12 1x5e h GLU 109 Cb 1.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1x5e h GLU 109 CO 0.65 0.00 0.71 0.11 -1.00 0.00 0.00 179.01 179.48 1x5e h TRP 110 N 0.00 0.00 -0.57 4.33 5.08 -1.84 0.16 115.95 123.10 1x5e h TRP 110 Ca 0.32 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.29 1x5e h TRP 110 Cb 1.42 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.56 1x5e h TRP 110 CO 0.00 0.00 0.36 0.87 -1.28 0.00 0.00 178.44 178.39 1x5e h LYS 111 N 0.00 0.77 0.00 0.12 1.79 -1.23 -1.89 116.57 116.13 1x5e h LYS 111 Ca 0.43 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.81 1x5e h LYS 111 Cb 1.83 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1x5e h LYS 111 CO -0.00 0.54 -0.12 1.03 -1.08 0.00 0.00 179.45 179.81 1x5e h SER 112 N 0.77 0.00 -3.44 0.86 0.87 -0.87 -3.42 113.55 108.32 1x5e h SER 112 Ca 0.21 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.23 1x5e h SER 112 Cb -0.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1x5e h SER 112 CO -0.04 0.12 0.11 -0.63 -0.53 0.00 0.00 176.83 175.86 1x5e s ILE 113 N -4.62 4.48 0.25 2.23 1.01 -0.71 -5.06 121.20 118.78 1x5e s ILE 113 Ca -0.04 1.54 -0.22 0.00 0.00 0.00 0.00 60.65 61.93 1x5e s ILE 113 Cb 0.15 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 1x5e s ILE 113 CO 0.65 0.52 0.80 -1.61 0.00 0.00 0.00 174.94 175.30 1x5e s GLU 114 N -1.18 4.39 0.74 2.79 2.02 -1.26 -4.94 118.70 121.27 1x5e s GLU 114 Ca 0.34 1.05 -0.12 0.00 0.02 0.00 0.00 54.97 56.26 1x5e s GLU 114 Cb -0.22 -2.89 0.04 0.00 0.10 0.00 0.00 34.13 31.16 1x5e s GLU 114 CO 0.24 0.38 1.10 -1.25 0.02 0.00 0.00 175.26 175.74 1x5e s PRO 115 N -1.92 2.40 0.98 0.39 0.04 -1.26 -4.60 135.00 131.03 1x5e s PRO 115 Ca 0.45 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 1x5e s PRO 115 Cb -0.18 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1x5e s PRO 115 CO 0.22 -1.54 1.09 0.14 0.04 0.00 0.00 177.00 176.95 1x5e s VAL 116 N -2.75 2.30 0.08 -0.36 -7.23 -0.61 -4.92 120.40 106.91 1x5e s VAL 116 Ca 0.63 0.10 -0.15 0.00 -1.81 0.00 0.00 61.98 60.75 1x5e s VAL 116 Cb -0.18 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1x5e s VAL 116 CO 0.52 -0.13 1.07 -1.20 -0.31 0.00 0.00 175.10 175.05 1x5e n SER 117 N -4.16 -0.51 -3.65 4.85 7.64 -1.26 -4.86 113.62 111.66 1x5e n SER 117 Ca 0.06 1.18 0.01 0.00 1.01 0.00 0.00 58.87 61.14 1x5e n SER 117 Cb 0.56 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 1x5e n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5e n SER 118 N -4.13 -1.29 -4.33 6.43 2.88 -1.26 -5.13 113.62 106.80 1x5e n SER 118 Ca 0.01 -1.39 -0.40 0.00 -1.33 0.00 0.00 58.87 55.76 1x5e n SER 118 Cb 0.13 2.02 -0.11 0.00 -0.75 0.00 0.00 64.21 65.50 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1x5e s TRP 119 N -2.08 3.27 -0.53 0.66 -0.11 -1.26 -5.01 118.94 113.88 1x5e s TRP 119 Ca 0.28 -1.21 0.04 0.00 1.22 0.00 0.00 56.10 56.43 1x5e s TRP 119 Cb -0.01 -2.55 0.16 0.00 -1.50 0.00 0.00 33.47 29.58 1x5e s TRP 119 CO 0.01 -0.72 0.38 0.12 -4.62 0.00 0.00 176.95 172.12 1x5e s PHE 120 N 1.49 2.24 -0.03 5.86 2.19 -1.26 -4.96 117.98 123.51 1x5e s PHE 120 Ca 0.01 -2.74 -0.26 0.00 0.33 0.00 0.00 56.93 54.28 1x5e s PHE 120 Cb -0.20 -1.81 -0.21 0.00 -1.31 0.00 0.00 43.02 39.49 1x5e s PHE 120 CO 0.05 -0.71 1.22 1.03 1.83 0.00 0.00 175.22 178.64 1x5e h SER 121 N 5.77 0.04 0.00 6.13 0.87 -1.96 -3.49 113.55 120.91 1x5e h SER 121 Ca 0.16 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1x5e h SER 121 Cb 0.85 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1x5e h SER 121 CO 0.53 0.57 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 1x5e n GLY 122 N 0.38 0.07 3.75 5.77 0.00 -1.26 -4.93 105.19 108.96 1x5e n GLY 122 Ca -0.08 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1x5e n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5e s PRO 123 N -0.28 1.89 -0.14 1.61 0.04 -1.26 -5.02 135.00 131.84 1x5e s PRO 123 Ca 0.00 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 1x5e s PRO 123 Cb 0.00 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1x5e s PRO 123 CO 0.00 -1.86 0.05 1.03 0.04 0.00 0.00 177.00 176.25 1x5e h SER 124 N -1.28 0.00 -3.42 6.66 0.87 -2.02 -3.47 113.55 110.88 1x5e h SER 124 Ca -0.46 -0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 59.33 1x5e h SER 124 Cb 1.25 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 63.35 1x5e h SER 124 CO 0.52 0.83 0.24 -1.20 -0.53 0.00 0.00 176.83 176.69 1x5e n SER 125 N -4.63 1.40 0.00 6.23 7.64 -1.26 -5.11 113.62 117.89 1x5e n SER 125 Ca -0.10 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1x5e n SER 125 Cb 0.28 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1x5e n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64