#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 0.08 -0.04 1.61 1.04 -1.26 -5.10 113.70 110.04 1x5e s SER 2 Ca 0.00 -0.60 -0.08 0.00 0.48 0.00 0.00 55.95 55.75 1x5e s SER 2 Cb 0.00 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1x5e s SER 2 CO 0.00 -0.72 -0.16 -0.24 0.98 0.00 0.00 173.24 173.10 1x5e n SER 3 N -0.01 1.41 -2.63 7.02 2.88 -1.26 -4.87 113.62 116.17 1x5e n SER 3 Ca -0.15 0.22 -0.22 0.00 -1.33 0.00 0.00 58.87 57.39 1x5e n SER 3 Cb 0.62 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 2.49 4.59 3.36 0.46 0.00 -1.26 -5.00 105.19 109.83 1x5e n GLY 4 Ca -0.06 -2.30 -0.46 0.00 0.00 0.00 0.00 46.02 43.19 1x5e n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5e s SER 5 N -3.35 6.61 -0.31 1.61 0.15 -1.26 -5.02 113.70 112.14 1x5e s SER 5 Ca 0.42 -2.31 -0.29 0.00 0.70 0.00 0.00 55.95 54.47 1x5e s SER 5 Cb 0.40 -2.27 -0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1x5e s SER 5 CO -0.11 -0.78 1.44 -0.44 1.20 0.00 0.00 173.24 174.54 1x5e s SER 6 N 2.81 6.47 0.00 5.45 0.01 -1.26 -4.73 113.70 122.45 1x5e s SER 6 Ca 0.19 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.67 1x5e s SER 6 Cb -0.12 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1x5e s SER 6 CO -0.06 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1x5e n GLY 7 N 4.65 3.13 0.15 3.44 0.00 -1.26 -5.00 105.19 110.31 1x5e n GLY 7 Ca 0.17 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 0.50 -3.63 1.61 2.35 -1.93 -3.45 115.58 111.03 1x5e h ASN 8 Ca 0.00 -0.39 -0.52 0.00 -0.55 0.00 0.00 56.30 54.83 1x5e h ASN 8 Cb 0.00 -0.15 0.06 0.00 0.05 0.00 0.00 38.32 38.28 1x5e h ASN 8 CO 0.00 1.19 0.69 -0.69 -1.65 0.00 0.00 177.43 176.97 1x5e s VAL 9 N -3.29 2.74 0.10 2.81 1.01 -1.26 -4.75 120.40 117.76 1x5e s VAL 9 Ca -0.05 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1x5e s VAL 9 Cb 0.09 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1x5e s VAL 9 CO 0.86 0.13 0.28 -0.13 0.00 0.00 0.00 175.10 176.24 1x5e s ARG 10 N -1.05 3.50 -0.57 2.72 0.52 0.97 -4.91 118.95 120.13 1x5e s ARG 10 Ca 0.54 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.31 1x5e s ARG 10 Cb -0.40 -2.96 0.14 0.00 0.52 0.00 0.00 34.95 32.25 1x5e s ARG 10 CO 0.48 0.54 0.47 0.08 0.02 0.00 0.00 175.30 176.89 1x5e s VAL 11 N -1.60 4.65 -0.08 3.52 1.01 -1.26 0.14 120.40 126.78 1x5e s VAL 11 Ca 0.37 -1.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1x5e s VAL 11 Cb -0.12 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1x5e s VAL 11 CO 0.27 -0.86 1.21 -0.63 0.00 0.00 0.00 175.10 175.10 1x5e s ILE 12 N 1.06 4.25 0.30 2.22 -1.09 -1.22 -4.97 121.20 121.76 1x5e s ILE 12 Ca 0.08 1.57 0.04 0.00 -2.23 0.00 0.00 60.65 60.11 1x5e s ILE 12 Cb -0.24 -4.01 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1x5e s ILE 12 CO -0.02 -0.03 0.42 0.35 -1.23 0.00 0.00 174.94 174.43 1x5e n THR 13 N 4.76 0.00 0.61 2.92 -2.24 -1.26 -4.79 114.28 114.28 1x5e n THR 13 Ca 0.12 -0.92 0.06 0.00 -2.27 0.00 0.00 64.05 61.03 1x5e n THR 13 Cb 0.46 -0.84 0.31 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.73 0.00 0.00 3.42 2.03 -1.26 -2.32 116.55 115.69 1x5e n ASP 14 Ca 0.08 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1x5e n ASP 14 Cb 0.30 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1x5e n ASP 14 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x5e n GLU 15 N -1.18 2.51 0.16 -0.67 2.13 -1.26 -4.69 120.64 117.64 1x5e n GLU 15 Ca 0.07 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.90 1x5e n GLU 15 Cb 0.07 -0.95 0.23 0.00 0.27 0.00 0.00 31.44 31.07 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1x5e h ASN 16 N 0.00 0.00 -0.98 4.31 -0.73 -1.83 -3.24 115.58 113.12 1x5e h ASN 16 Ca 0.00 0.00 0.29 0.00 1.87 0.00 0.00 56.30 58.46 1x5e h ASN 16 Cb 0.57 0.00 -0.18 0.00 0.27 0.00 0.00 38.32 38.98 1x5e h ASN 16 CO 0.00 0.52 0.14 4.11 -0.37 0.00 0.00 177.43 181.83 1x5e h TRP 17 N 0.00 0.16 -0.81 0.67 5.08 -1.74 0.15 115.95 119.47 1x5e h TRP 17 Ca -0.01 0.06 0.13 0.00 1.08 0.00 0.00 58.89 60.15 1x5e h TRP 17 Cb 1.03 0.09 -0.14 0.00 -3.00 0.00 0.00 29.16 27.15 1x5e h TRP 17 CO 0.00 -0.41 -0.39 0.00 -1.28 0.00 0.00 178.44 176.36 1x5e h ARG 18 N 0.03 -0.08 -1.47 0.12 2.47 -1.88 0.75 114.38 114.32 1x5e h ARG 18 Ca 0.64 0.01 0.46 0.00 -1.26 0.00 0.00 59.98 59.82 1x5e h ARG 18 Cb 1.39 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 29.62 1x5e h ARG 18 CO -0.86 -0.05 1.00 0.93 0.56 0.00 0.00 179.97 181.54 1x5e h GLU 19 N -0.08 0.06 -0.84 0.04 4.39 -0.93 0.75 114.58 117.96 1x5e h GLU 19 Ca 0.28 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.09 1x5e h GLU 19 Cb 0.57 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 1x5e h GLU 19 CO -0.84 0.04 0.46 -0.07 -1.16 0.00 0.00 179.01 177.44 1x5e h LEU 20 N 0.06 0.62 -1.95 1.33 3.38 0.44 0.24 115.31 119.42 1x5e h LEU 20 Ca 0.83 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.87 1x5e h LEU 20 Cb 2.84 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.55 1x5e h LEU 20 CO -0.28 0.31 0.22 -0.07 0.09 0.00 0.00 178.44 178.71 1x5e h LEU 21 N 0.72 0.00 -9.27 1.67 3.38 0.45 -3.39 115.31 108.87 1x5e h LEU 21 Ca 0.43 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.73 1x5e h LEU 21 Cb 0.51 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 1x5e h LEU 21 CO -0.30 0.00 -0.65 -1.61 0.09 0.00 0.00 178.44 175.97 1x5e s GLU 22 N -3.91 2.81 0.21 1.13 0.41 0.84 -0.09 118.70 120.10 1x5e s GLU 22 Ca -0.03 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.98 1x5e s GLU 22 Cb 0.08 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1x5e s GLU 22 CO 0.27 0.65 0.00 0.41 -0.49 0.00 0.00 175.26 176.10 1x5e n GLY 23 N 1.79 -1.17 3.77 -1.39 0.00 -1.26 -4.70 105.19 102.22 1x5e n GLY 23 Ca -0.16 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.70 7.08 -0.17 1.61 1.01 -1.26 -3.46 116.67 116.79 1x5e s ASP 24 Ca 0.00 2.21 -0.07 0.00 0.71 0.00 0.00 52.55 55.40 1x5e s ASP 24 Cb 0.00 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.39 1x5e s ASP 24 CO 0.00 -0.27 0.37 0.26 0.21 0.00 0.00 175.17 175.73 1x5e s TRP 25 N -1.32 -0.63 -0.40 4.23 0.52 0.11 -3.66 118.94 117.79 1x5e s TRP 25 Ca 0.49 1.29 -0.13 0.00 0.02 0.00 0.00 56.10 57.77 1x5e s TRP 25 Cb -0.29 0.19 0.03 0.00 -1.15 0.00 0.00 33.47 32.25 1x5e s TRP 25 CO 0.37 -0.41 0.27 -1.64 0.02 0.00 0.00 176.95 175.57 1x5e s MET 26 N 2.23 2.90 0.15 4.98 -1.94 0.93 -0.30 119.30 128.25 1x5e s MET 26 Ca -0.03 -1.07 0.04 0.00 -1.71 0.00 0.00 55.69 52.92 1x5e s MET 26 Cb -0.11 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.80 1x5e s MET 26 CO -0.11 -0.75 0.16 0.42 -0.01 0.00 0.00 175.02 174.72 1x5e s ILE 27 N 1.62 4.70 -0.24 2.53 1.01 0.13 -0.26 121.20 130.70 1x5e s ILE 27 Ca 0.04 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1x5e s ILE 27 Cb -0.19 -3.38 0.11 0.00 0.01 0.00 0.00 42.46 39.00 1x5e s ILE 27 CO 0.08 -0.06 0.25 -1.83 0.00 0.00 0.00 174.94 173.38 1x5e s GLU 28 N -3.01 0.25 -0.50 2.79 -1.05 -1.22 -0.82 118.70 115.13 1x5e s GLU 28 Ca 0.32 0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.88 1x5e s GLU 28 Cb -0.11 -0.96 0.02 0.00 -0.44 0.00 0.00 34.13 32.64 1x5e s GLU 28 CO 0.24 -0.82 1.25 -0.06 0.95 0.00 0.00 175.26 176.82 1x5e s PHE 29 N 2.33 2.59 0.45 4.83 0.40 0.55 -3.19 117.98 125.94 1x5e s PHE 29 Ca 0.08 0.60 0.06 0.00 -0.60 0.00 0.00 56.93 57.06 1x5e s PHE 29 Cb -0.15 -4.43 -0.04 0.00 0.51 0.00 0.00 43.02 38.91 1x5e s PHE 29 CO -0.22 -1.61 0.10 1.52 0.70 0.00 0.00 175.22 175.70 1x5e s TYR 30 N 5.04 2.31 -0.06 0.36 -0.85 -1.21 -2.19 117.35 120.76 1x5e s TYR 30 Ca 0.50 -0.73 -0.05 0.00 -0.52 0.00 0.00 57.07 56.27 1x5e s TYR 30 Cb -0.09 -1.81 0.02 0.00 0.38 0.00 0.00 41.96 40.45 1x5e s TYR 30 CO 0.30 0.23 0.15 0.00 -1.52 0.00 0.00 175.55 174.71 1x5e s ALA 31 N -2.72 -0.38 0.10 9.51 0.00 -1.26 -3.48 121.76 123.53 1x5e s ALA 31 Ca 0.30 0.43 0.34 0.00 0.00 0.00 0.00 51.96 53.03 1x5e s ALA 31 Cb 0.05 -0.25 1.40 0.00 0.00 0.00 0.00 23.12 24.31 1x5e s ALA 31 CO 0.16 -0.07 1.99 -1.00 0.00 0.00 0.00 175.76 176.84 1x5e h PRO 32 N 5.91 0.00 -0.52 0.00 0.13 -2.00 -2.52 132.00 133.01 1x5e h PRO 32 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1x5e h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x5e h PRO 32 CO 0.41 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.51 1x5e n TRP 33 N -3.06 1.06 -4.13 1.56 4.27 -1.26 -4.93 117.44 110.95 1x5e n TRP 33 Ca 0.01 -0.61 -0.35 0.00 -3.89 0.00 0.00 57.50 52.66 1x5e n TRP 33 Cb 0.29 -0.16 -0.11 0.00 -1.36 0.00 0.00 31.31 29.96 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 7.04 0.00 0.00 0.00 0.13 -1.92 -2.79 132.00 134.47 1x5e h PRO 35 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 1x5e h PRO 35 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1x5e h PRO 35 CO 0.64 0.40 -0.27 0.00 -0.23 0.00 0.00 178.00 178.54 1x5e h ALA 36 N 1.60 0.90 0.11 -0.56 0.00 -1.93 -3.30 119.26 116.07 1x5e h ALA 36 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1x5e h ALA 36 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x5e h ALA 36 CO 0.05 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 1x5e h GLN 38 N -0.90 0.00 0.17 0.00 4.20 -1.62 0.74 115.11 117.70 1x5e h GLN 38 Ca -0.02 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 1x5e h GLN 38 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1x5e h GLN 38 CO 0.03 0.00 -1.76 -0.97 -0.67 0.00 0.00 178.83 175.46 1x5e h ASN 39 N 0.00 0.55 0.97 1.46 -1.24 -1.63 -3.35 115.58 112.33 1x5e h ASN 39 Ca 0.07 -0.86 -0.15 0.00 0.71 0.00 0.00 56.30 56.07 1x5e h ASN 39 Cb 1.38 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.23 1x5e h ASN 39 CO -0.00 1.74 -0.73 0.25 -1.29 0.00 0.00 177.43 177.40 1x5e h LEU 40 N 0.10 0.00 -0.79 0.34 5.85 0.44 -3.33 115.31 117.92 1x5e h LEU 40 Ca -0.34 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.47 1x5e h LEU 40 Cb 2.08 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 43.00 1x5e h LEU 40 CO 0.16 0.73 -0.40 0.00 -0.34 0.00 0.00 178.44 178.59 1x5e n GLN 41 N -3.47 -0.28 -0.07 1.25 1.13 0.10 0.07 117.38 116.12 1x5e n GLN 41 Ca 0.00 1.21 -0.13 0.00 -1.94 0.00 0.00 57.00 56.13 1x5e n GLN 41 Cb 0.76 -1.78 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 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 0.51 -0.83 -1.09 0.13 -1.79 -2.98 132.00 125.95 1x5e h PRO 42 Ca 0.19 -0.27 0.16 0.00 -0.87 0.00 0.00 66.00 65.22 1x5e h PRO 42 Cb 0.39 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.47 1x5e h PRO 42 CO -0.76 0.85 0.55 0.93 -0.23 0.00 0.00 178.00 179.34 1x5e h GLU 43 N 0.19 0.46 0.35 0.86 3.07 -0.85 -1.71 114.58 116.95 1x5e h GLU 43 Ca 0.03 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1x5e h GLU 43 Cb 0.76 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1x5e h GLU 43 CO 0.05 0.30 -0.17 2.35 -1.40 0.00 0.00 179.01 180.15 1x5e h TRP 44 N 0.47 -0.43 -0.83 4.33 -0.00 -0.30 -2.74 115.95 116.45 1x5e h TRP 44 Ca 0.42 -0.01 0.20 0.00 -0.00 0.00 0.00 58.89 59.50 1x5e h TRP 44 Cb 0.92 0.14 -0.12 0.00 -0.00 0.00 0.00 29.16 30.10 1x5e h TRP 44 CO -0.00 -0.10 0.26 0.93 -0.00 0.00 0.00 178.44 179.53 1x5e h GLU 45 N -0.96 0.28 0.00 2.65 5.08 -1.28 0.96 114.58 121.32 1x5e h GLU 45 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1x5e h GLU 45 Cb 0.52 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1x5e h GLU 45 CO 0.08 0.19 -0.12 0.77 -1.00 0.00 0.00 179.01 178.93 1x5e h SER 46 N 0.29 0.00 0.00 1.42 0.02 -1.36 -3.00 113.55 110.92 1x5e h SER 46 Ca 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1x5e h SER 46 Cb 0.94 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.48 1x5e h SER 46 CO -0.56 0.12 -0.07 0.15 -1.14 0.00 0.00 176.83 175.32 1x5e h PHE 47 N 0.00 0.00 0.00 3.45 3.57 0.12 -3.30 116.94 120.78 1x5e h PHE 47 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1x5e h PHE 47 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1x5e h PHE 47 CO 0.00 0.27 0.50 0.00 -2.23 0.00 0.00 178.31 176.85 1x5e h ALA 48 N -0.76 1.45 0.75 2.41 0.00 -0.92 -0.49 119.26 121.71 1x5e h ALA 48 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1x5e h ALA 48 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x5e h ALA 48 CO -0.01 -0.45 -0.45 0.93 0.00 0.00 0.00 179.25 179.27 1x5e h GLU 49 N 0.00 -1.09 0.00 0.00 4.39 -1.60 -3.12 114.58 113.16 1x5e h GLU 49 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x5e h GLU 49 Cb 1.01 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1x5e h GLU 49 CO 0.00 -0.72 -0.69 -2.67 -1.16 0.00 0.00 179.01 173.77 1x5e n TRP 50 N -5.59 0.38 0.00 4.33 4.27 -0.58 -4.50 117.44 115.76 1x5e n TRP 50 Ca -0.14 0.11 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1x5e n TRP 50 Cb 0.47 -0.53 0.00 0.00 -1.36 0.00 0.00 31.31 29.89 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 1.38 -3.24 0.51 -1.67 0.00 -0.30 -0.09 105.19 101.79 1x5e n GLY 51 Ca 0.03 0.58 0.33 0.00 0.00 0.00 0.00 46.02 46.97 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 0.00 -0.96 1.61 4.11 -1.44 0.34 114.58 118.25 1x5e h GLU 52 Ca 0.00 -0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1x5e h GLU 52 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1x5e h GLU 52 CO 0.00 0.00 0.63 0.22 0.07 0.00 0.00 179.01 179.93 1x5e h ASP 53 N 0.00 1.07 -0.24 3.06 1.82 -0.73 -0.56 116.42 120.84 1x5e h ASP 53 Ca 0.53 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 57.12 1x5e h ASP 53 Cb 2.12 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 41.86 1x5e h ASP 53 CO -0.01 0.75 0.03 0.18 -1.61 0.00 0.00 179.24 178.59 1x5e n LEU 54 N -4.42 3.01 -3.02 2.28 4.77 0.12 -4.87 117.00 114.88 1x5e n LEU 54 Ca 0.12 -1.53 -0.14 0.00 -0.03 0.00 0.00 56.01 54.44 1x5e n LEU 54 Cb 0.06 -0.58 0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1x5e n LEU 54 CO 0.36 0.43 0.06 1.21 -1.33 0.00 0.00 177.39 178.12 1x5e n GLU 55 N 0.19 -3.76 -3.73 3.23 4.07 -0.22 -4.93 120.64 115.49 1x5e n GLU 55 Ca 0.12 0.73 -0.12 0.00 -0.06 0.00 0.00 57.16 57.83 1x5e n GLU 55 Cb 0.65 -5.27 -0.11 0.00 -0.06 0.00 0.00 31.44 26.66 1x5e n GLU 55 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x5e s VAL 56 N -3.32 -0.01 0.13 6.31 0.11 -1.18 -4.89 120.40 117.55 1x5e s VAL 56 Ca 0.19 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1x5e s VAL 56 Cb -0.03 -0.53 -0.06 0.00 -1.53 0.00 0.00 36.38 34.24 1x5e s VAL 56 CO 0.62 0.01 0.44 0.20 -3.33 0.00 0.00 175.10 173.05 1x5e s ASN 57 N 0.55 6.64 -0.09 3.54 0.01 -1.24 -1.66 114.94 122.68 1x5e s ASN 57 Ca -0.03 0.82 0.01 0.00 -0.71 0.00 0.00 52.86 52.95 1x5e s ASN 57 Cb -0.04 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.45 1x5e s ASN 57 CO -0.03 0.10 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.92 1x5e s ILE 58 N -1.53 1.12 0.36 0.60 1.09 -1.26 -0.05 121.20 121.54 1x5e s ILE 58 Ca 0.38 -0.41 0.04 0.00 -1.10 0.00 0.00 60.65 59.56 1x5e s ILE 58 Cb -0.13 -1.08 -0.05 0.00 -1.06 0.00 0.00 42.46 40.14 1x5e s ILE 58 CO 0.20 0.37 0.07 0.00 -0.10 0.00 0.00 174.94 175.48 1x5e s ALA 59 N 1.19 2.63 0.01 9.38 0.00 0.65 -0.02 121.76 135.60 1x5e s ALA 59 Ca -0.04 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1x5e s ALA 59 Cb -0.14 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1x5e s ALA 59 CO -0.03 -0.30 -0.05 -1.59 0.00 0.00 0.00 175.76 173.80 1x5e s LYS 60 N -3.84 0.35 -0.06 0.00 -2.85 0.12 -3.42 119.74 110.04 1x5e s LYS 60 Ca 0.31 -0.32 0.05 0.00 -1.00 0.00 0.00 55.97 55.01 1x5e s LYS 60 Cb 0.07 -0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 35.57 1x5e s LYS 60 CO 0.15 0.06 -0.23 0.08 0.10 0.00 0.00 175.35 175.51 1x5e s VAL 61 N -0.51 2.28 -0.31 1.79 1.01 -1.19 -3.37 120.40 120.09 1x5e s VAL 61 Ca -0.03 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1x5e s VAL 61 Cb -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1x5e s VAL 61 CO -0.00 0.57 0.23 -1.81 0.00 0.00 0.00 175.10 174.09 1x5e s ASP 62 N -0.21 6.06 -0.07 3.32 1.01 -1.26 -3.28 116.67 122.23 1x5e s ASP 62 Ca -0.02 -0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.06 1x5e s ASP 62 Cb -0.13 -2.14 0.13 0.00 1.01 0.00 0.00 42.92 41.79 1x5e s ASP 62 CO 0.03 -0.16 1.06 1.33 0.21 0.00 0.00 175.17 177.64 1x5e n VAL 63 N 5.10 1.18 0.00 -1.27 0.24 -1.23 -2.10 118.33 120.24 1x5e n VAL 63 Ca -0.13 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1x5e n VAL 63 Cb 0.51 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 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 0.18 0.00 -0.03 3.34 -2.24 -1.26 -4.84 114.28 109.44 1x5e n THR 64 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1x5e n THR 64 Cb 0.64 -0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.33 0.67 -3.65 -0.78 1.02 -1.22 -4.74 120.64 110.61 1x5e n GLU 65 Ca 0.00 -0.16 -0.38 0.00 -0.02 0.00 0.00 57.16 56.60 1x5e n GLU 65 Cb 0.17 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 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 -3.29 2.84 0.28 3.49 -1.52 -0.89 -4.91 119.66 115.66 1x5e s GLN 66 Ca -0.08 -2.66 0.06 0.00 -1.95 0.00 0.00 55.36 50.73 1x5e s GLN 66 Cb 0.12 -3.87 0.40 0.00 -0.22 0.00 0.00 33.01 29.44 1x5e s GLN 66 CO 0.88 -1.21 1.67 -1.00 -0.25 0.00 0.00 175.29 175.38 1x5e h PRO 67 N 6.95 0.23 0.35 2.91 0.13 -1.85 -3.13 132.00 137.59 1x5e h PRO 67 Ca 0.03 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 1x5e h PRO 67 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1x5e h PRO 67 CO 0.74 0.65 -0.17 0.78 -0.23 0.00 0.00 178.00 179.77 1x5e h GLY 68 N 1.29 -0.49 -0.74 1.56 0.00 -1.97 -2.96 103.07 99.76 1x5e h GLY 68 Ca 0.01 0.18 0.17 0.00 0.00 0.00 0.00 47.33 47.69 1x5e h GLY 68 CO 0.07 -0.18 -0.24 1.41 0.00 0.00 0.00 176.54 177.60 1x5e h LEU 69 N -0.99 -0.89 -0.99 3.11 3.38 -1.91 0.75 115.31 117.77 1x5e h LEU 69 Ca -0.05 0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.28 1x5e h LEU 69 Cb 0.36 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1x5e h LEU 69 CO 0.08 -0.29 0.63 -1.28 0.09 0.00 0.00 178.44 177.67 1x5e h SER 70 N -0.01 0.97 0.11 -0.43 0.87 -1.65 0.02 113.55 113.43 1x5e h SER 70 Ca 0.40 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1x5e h SER 70 Cb 0.63 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1x5e h SER 70 CO -0.89 0.57 -0.05 1.23 -0.53 0.00 0.00 176.83 177.15 1x5e h GLY 71 N 1.07 -0.15 0.47 5.77 0.00 0.52 -3.34 103.07 107.40 1x5e h GLY 71 Ca 0.46 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.87 1x5e h GLY 71 CO -0.22 -0.06 -0.29 3.21 0.00 0.00 0.00 176.54 179.18 1x5e h ARG 72 N -0.73 -0.48 -6.76 4.80 3.08 -0.35 -3.42 114.38 110.51 1x5e h ARG 72 Ca -0.01 0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 1x5e h ARG 72 Cb 0.55 0.11 0.07 0.00 0.08 0.00 0.00 29.97 30.78 1x5e h ARG 72 CO 0.02 -0.32 0.85 -0.06 -1.07 0.00 0.00 179.97 179.40 1x5e s PHE 73 N -6.03 2.86 0.00 3.04 0.08 -0.03 -4.35 117.98 113.55 1x5e s PHE 73 Ca -0.16 0.82 -0.04 0.00 0.12 0.00 0.00 56.93 57.67 1x5e s PHE 73 Cb 0.08 -3.99 -0.20 0.00 -0.57 0.00 0.00 43.02 38.34 1x5e s PHE 73 CO 0.65 -3.34 2.85 0.44 -0.10 0.00 0.00 175.22 175.72 1x5e n ILE 74 N 2.45 2.26 -2.30 0.64 -6.64 -1.26 -4.85 119.36 109.67 1x5e n ILE 74 Ca 0.09 -1.12 -0.36 0.00 -1.77 0.00 0.00 62.75 59.58 1x5e n ILE 74 Cb 0.38 -1.87 -0.01 0.00 -1.44 0.00 0.00 39.64 36.70 1x5e n ILE 74 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 1x5e s ILE 75 N 1.45 3.21 0.00 7.28 -1.09 -1.26 -4.96 121.20 125.83 1x5e s ILE 75 Ca 0.50 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.77 1x5e s ILE 75 Cb 0.24 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1x5e s ILE 75 CO 0.00 -0.06 0.00 0.59 -1.23 0.00 0.00 174.94 174.24 1x5e n ASN 76 N -0.70 1.31 -3.44 3.58 3.02 -1.26 -5.11 115.26 112.66 1x5e n ASN 76 Ca 0.08 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.46 1x5e n ASN 76 Cb 0.49 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.92 1.52 0.01 5.41 0.00 -1.26 -5.18 121.76 120.34 1x5e s ALA 77 Ca 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.01 1x5e s ALA 77 Cb 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 23.12 24.51 1x5e s ALA 77 CO 0.00 -0.69 0.09 -0.51 0.00 0.00 0.00 175.76 174.66 1x5e s LEU 78 N -3.31 1.75 1.01 0.00 1.43 -1.26 -4.26 118.68 114.03 1x5e s LEU 78 Ca 0.38 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1x5e s LEU 78 Cb 0.02 0.54 0.19 0.00 0.03 0.00 0.00 46.19 46.98 1x5e s LEU 78 CO 0.24 -0.39 1.09 -2.16 0.23 0.00 0.00 176.35 175.36 1x5e s PRO 79 N -1.68 0.36 -0.30 1.29 0.04 -1.26 -4.92 135.00 128.52 1x5e s PRO 79 Ca -0.13 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 61.37 1x5e s PRO 79 Cb -0.07 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.91 1x5e s PRO 79 CO -0.00 -2.78 0.62 0.99 0.04 0.00 0.00 177.00 175.87 1x5e s THR 80 N -2.97 -1.00 -0.10 1.26 2.01 -0.93 -4.98 115.64 108.93 1x5e s THR 80 Ca 0.65 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.55 1x5e s THR 80 Cb -0.19 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1x5e s THR 80 CO 0.58 0.00 0.25 -0.63 -0.69 0.00 0.00 174.62 174.12 1x5e s ILE 81 N 2.87 5.33 -0.05 1.82 1.01 -1.26 -0.33 121.20 130.59 1x5e s ILE 81 Ca 0.12 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1x5e s ILE 81 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1x5e s ILE 81 CO -0.20 0.54 -0.17 -0.31 0.00 0.00 0.00 174.94 174.80 1x5e s TYR 82 N -0.57 1.73 -0.34 3.97 2.02 -0.00 -1.23 117.35 122.92 1x5e s TYR 82 Ca 0.17 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1x5e s TYR 82 Cb -0.13 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1x5e s TYR 82 CO 0.06 -0.21 0.20 -1.58 -1.57 0.00 0.00 175.55 172.45 1x5e s HIS 83 N 0.18 3.21 -0.41 2.71 5.65 -1.09 -0.69 115.29 124.85 1x5e s HIS 83 Ca -0.07 -0.62 -0.12 0.00 0.25 0.00 0.00 55.06 54.49 1x5e s HIS 83 Cb -0.13 -2.42 0.05 0.00 -1.18 0.00 0.00 32.58 28.90 1x5e s HIS 83 CO 0.03 -0.51 0.27 0.00 -0.65 0.00 0.00 174.74 173.88 1x5e s LYS 85 N 1.56 1.73 -1.49 0.00 2.20 -0.45 0.09 119.74 123.38 1x5e s LYS 85 Ca 0.03 -0.82 -0.05 0.00 -0.36 0.00 0.00 55.97 54.77 1x5e s LYS 85 Cb -0.21 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1x5e s LYS 85 CO 0.06 -0.49 0.51 -0.25 -0.36 0.00 0.00 175.35 174.81 1x5e n ASP 86 N 4.73 -5.43 0.00 1.43 8.00 -1.22 -1.26 116.55 122.79 1x5e n ASP 86 Ca -0.13 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1x5e n ASP 86 Cb 0.46 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 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 -1.37 0.44 3.00 0.44 0.00 0.87 -4.92 105.19 103.65 1x5e n GLY 87 Ca -0.10 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.13 1.91 -0.14 1.61 0.41 -0.39 -5.02 118.70 113.95 1x5e s GLU 88 Ca 0.00 -1.14 -0.20 0.00 -0.41 0.00 0.00 54.97 53.22 1x5e s GLU 88 Cb 0.00 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1x5e s GLU 88 CO 0.00 -0.58 0.57 -0.06 -0.49 0.00 0.00 175.26 174.70 1x5e s PHE 89 N 1.27 3.47 -0.27 1.61 0.08 -1.25 -1.34 117.98 121.55 1x5e s PHE 89 Ca -0.07 0.95 -0.02 0.00 0.12 0.00 0.00 56.93 57.91 1x5e s PHE 89 Cb -0.19 -2.69 0.09 0.00 -0.57 0.00 0.00 43.02 39.66 1x5e s PHE 89 CO -0.06 0.02 0.08 1.03 -0.10 0.00 0.00 175.22 176.19 1x5e s ARG 90 N 1.17 0.64 0.03 0.44 0.52 -0.26 -1.17 118.95 120.32 1x5e s ARG 90 Ca 0.29 -0.80 -0.38 0.00 -0.52 0.00 0.00 55.73 54.32 1x5e s ARG 90 Cb -0.16 -1.91 -0.17 0.00 0.52 0.00 0.00 34.95 33.23 1x5e s ARG 90 CO 0.12 -0.89 1.37 -2.13 0.02 0.00 0.00 175.30 173.79 1x5e n ARG 91 N 4.96 1.04 0.01 3.54 0.63 -1.26 -2.67 116.66 122.91 1x5e n ARG 91 Ca -0.05 0.38 -0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1x5e n ARG 91 Cb 0.43 -2.01 -0.08 0.00 0.45 0.00 0.00 32.46 31.25 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 4.77 -1.31 -5.85 -0.14 3.20 -1.54 -3.46 116.97 112.64 1x5e h TYR 92 Ca -0.48 0.05 -0.39 0.00 3.14 0.00 0.00 58.73 61.05 1x5e h TYR 92 Cb 1.34 0.58 0.13 0.00 1.54 0.00 0.00 36.73 40.33 1x5e h TYR 92 CO 0.62 -0.45 -0.70 1.04 -1.64 0.00 0.00 178.16 177.03 1x5e n GLN 93 N -4.89 -7.63 -4.53 1.82 6.02 -1.26 -5.00 117.38 101.91 1x5e n GLN 93 Ca -0.05 0.82 -0.28 0.00 -0.01 0.00 0.00 57.00 57.48 1x5e n GLN 93 Cb 0.31 -5.86 -0.07 0.00 1.02 0.00 0.00 30.24 25.64 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 -1.86 3.33 0.00 1.08 0.00 -1.26 -5.01 105.19 101.46 1x5e n GLY 94 Ca -0.04 -2.20 0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.05 0.34 -3.79 1.61 -0.04 -1.26 -4.86 135.00 125.96 1x5e n PRO 95 Ca -0.11 0.08 -0.27 0.00 -0.04 0.00 0.00 63.50 63.16 1x5e n PRO 95 Cb 0.63 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.15 -5.90 -4.58 0.54 1.74 -1.26 -4.97 116.66 101.08 1x5e n ARG 96 Ca 0.09 0.66 -0.34 0.00 -0.77 0.00 0.00 57.85 57.49 1x5e n ARG 96 Cb 0.09 -5.51 -0.12 0.00 -1.02 0.00 0.00 32.46 25.90 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 -3.39 3.71 0.06 0.55 -4.23 -1.26 -4.95 115.64 106.13 1x5e s THR 97 Ca 0.47 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1x5e s THR 97 Cb -0.23 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 1x5e s THR 97 CO 0.80 0.57 1.00 1.17 -0.54 0.00 0.00 174.62 177.62 1x5e n LYS 98 N 2.67 -0.18 -0.10 3.99 4.81 -1.26 -1.04 118.16 127.04 1x5e n LYS 98 Ca -0.18 0.99 -0.09 0.00 -0.87 0.00 0.00 58.31 58.16 1x5e n LYS 98 Cb 0.53 -1.46 -0.06 0.00 0.02 0.00 0.00 35.03 34.05 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 -0.23 -0.91 1.64 3.64 -1.97 -2.17 116.57 116.57 1x5e h LYS 99 Ca 0.06 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1x5e h LYS 99 Cb 0.16 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.93 1x5e h LYS 99 CO -0.38 -0.15 -0.54 -0.25 -2.27 0.00 0.00 179.45 175.87 1x5e n ASP 100 N -4.40 -0.96 -0.24 4.20 9.92 -0.21 -1.28 116.55 123.58 1x5e n ASP 100 Ca -0.02 1.70 -0.06 0.00 -0.53 0.00 0.00 54.79 55.88 1x5e n ASP 100 Cb 0.21 -0.25 -0.06 0.00 -0.64 0.00 0.00 41.12 40.39 1x5e n ASP 100 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1x5e n PHE 101 N -5.05 -0.25 -0.02 1.24 3.72 -0.35 -1.49 117.46 115.25 1x5e n PHE 101 Ca 0.02 0.72 -0.01 0.00 -0.05 0.00 0.00 57.45 58.13 1x5e n PHE 101 Cb 0.24 -0.52 -0.00 0.00 -0.94 0.00 0.00 39.48 38.25 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 -4.36 -0.03 -0.17 4.37 -0.00 -0.40 0.04 119.36 118.81 1x5e n ILE 102 Ca 0.01 1.06 -0.05 0.00 -0.00 0.00 0.00 62.75 63.78 1x5e n ILE 102 Cb 0.15 -1.40 0.02 0.00 -0.00 0.00 0.00 39.64 38.40 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 -0.95 -1.39 4.38 2.35 -1.25 0.49 115.58 119.20 1x5e h ASN 103 Ca 0.01 0.20 0.41 0.00 -0.55 0.00 0.00 56.30 56.36 1x5e h ASN 103 Cb 0.02 0.49 -0.07 0.00 0.05 0.00 0.00 38.32 38.81 1x5e h ASN 103 CO -0.04 -0.28 0.98 0.15 -1.65 0.00 0.00 177.43 176.59 1x5e h PHE 104 N -0.15 0.14 0.00 1.19 3.57 0.51 1.48 116.94 123.69 1x5e h PHE 104 Ca 0.23 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1x5e h PHE 104 Cb 0.52 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1x5e h PHE 104 CO -0.56 -0.02 -0.52 -0.89 -2.23 0.00 0.00 178.31 174.09 1x5e n ILE 105 N -4.24 1.29 0.21 1.41 2.08 0.13 -2.15 119.36 118.10 1x5e n ILE 105 Ca 0.32 0.24 -0.15 0.00 0.56 0.00 0.00 62.75 63.71 1x5e n ILE 105 Cb 1.43 -2.30 -0.08 0.00 -0.75 0.00 0.00 39.64 37.94 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 -0.91 -0.39 0.00 4.38 0.87 0.03 -1.56 113.55 115.97 1x5e h SER 106 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x5e h SER 106 Cb 0.52 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1x5e h SER 106 CO 0.00 -0.27 0.00 0.47 -0.53 0.00 0.00 176.83 176.50 1x5e n ASP 107 N -5.29 0.00 -4.00 6.23 8.00 0.50 -4.87 116.55 117.12 1x5e n ASP 107 Ca -0.10 -1.29 -0.30 0.00 0.71 0.00 0.00 54.79 53.81 1x5e n ASP 107 Cb 0.21 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.69 -0.76 0.28 -1.24 4.76 -0.59 -4.76 118.16 115.17 1x5e n LYS 108 Ca 0.07 0.03 0.16 0.00 -2.87 0.00 0.00 58.31 55.70 1x5e n LYS 108 Cb 0.03 -2.56 0.80 0.00 -1.84 0.00 0.00 35.03 31.46 1x5e n LYS 108 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x5e h GLU 109 N -1.39 0.00 -1.05 1.97 5.08 -1.57 -2.82 114.58 114.80 1x5e h GLU 109 Ca -0.55 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.11 1x5e h GLU 109 Cb 1.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1x5e h GLU 109 CO 0.53 0.06 0.75 0.11 -1.00 0.00 0.00 179.01 179.46 1x5e h TRP 110 N 0.00 0.05 -0.60 4.33 5.08 -1.86 0.33 115.95 123.29 1x5e h TRP 110 Ca -0.00 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 1x5e h TRP 110 Cb 0.37 -0.01 -0.08 0.00 -3.00 0.00 0.00 29.16 26.43 1x5e h TRP 110 CO 0.00 0.01 0.16 0.87 -1.28 0.00 0.00 178.44 178.20 1x5e h LYS 111 N 0.03 0.30 -0.48 0.12 6.56 -1.86 0.68 116.57 121.92 1x5e h LYS 111 Ca 0.51 -0.02 0.08 0.00 -1.06 0.00 0.00 60.65 60.16 1x5e h LYS 111 Cb 1.97 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 33.53 1x5e h LYS 111 CO -0.03 0.20 0.32 0.77 -2.06 0.00 0.00 179.45 178.66 1x5e h SER 112 N 0.31 0.26 -3.42 0.86 0.02 -1.17 -3.41 113.55 107.01 1x5e h SER 112 Ca 0.31 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.72 1x5e h SER 112 Cb 0.44 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1x5e h SER 112 CO -0.37 0.17 0.17 -0.63 -1.14 0.00 0.00 176.83 175.03 1x5e s ILE 113 N -5.29 4.79 0.07 3.27 1.01 0.23 -5.04 121.20 120.24 1x5e s ILE 113 Ca -0.07 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 61.93 1x5e s ILE 113 Cb 0.19 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1x5e s ILE 113 CO 0.73 0.33 1.00 -1.61 0.00 0.00 0.00 174.94 175.39 1x5e s GLU 114 N 0.17 4.62 0.84 2.79 0.41 -1.26 -4.95 118.70 121.32 1x5e s GLU 114 Ca 0.40 1.49 -0.11 0.00 -0.41 0.00 0.00 54.97 56.34 1x5e s GLU 114 Cb -0.20 -3.40 0.10 0.00 -1.78 0.00 0.00 34.13 28.85 1x5e s GLU 114 CO 0.23 0.07 1.09 -1.25 -0.49 0.00 0.00 175.26 174.91 1x5e s PRO 115 N 0.42 1.71 0.04 0.39 0.04 -1.26 -4.77 135.00 131.57 1x5e s PRO 115 Ca 0.50 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 1x5e s PRO 115 Cb -0.24 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x5e s PRO 115 CO 0.30 -1.97 0.25 0.14 0.04 0.00 0.00 177.00 175.75 1x5e s VAL 116 N -2.92 5.34 -0.21 -0.36 -7.23 -0.31 -5.00 120.40 109.70 1x5e s VAL 116 Ca 0.62 -0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.61 1x5e s VAL 116 Cb -0.18 -3.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 1x5e s VAL 116 CO 0.57 0.25 -0.29 -0.24 -0.31 0.00 0.00 175.10 175.07 1x5e n SER 117 N 0.71 1.64 -4.56 4.85 2.88 -1.26 -4.55 113.62 113.33 1x5e n SER 117 Ca -0.08 0.28 -0.41 0.00 -1.33 0.00 0.00 58.87 57.33 1x5e n SER 117 Cb 0.52 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 1x5e n SER 117 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5e n SER 118 N -4.07 2.69 -3.42 -3.46 3.41 -1.26 -4.87 113.62 102.64 1x5e n SER 118 Ca -0.40 -0.06 -0.27 0.00 -0.26 0.00 0.00 58.87 57.89 1x5e n SER 118 Cb 0.76 -1.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.11 1x5e n SER 118 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1x5e n TRP 119 N 13.16 3.23 -1.72 7.33 -0.00 -1.26 -4.89 117.44 133.29 1x5e n TRP 119 Ca 0.35 -4.10 -0.18 0.00 -0.00 0.00 0.00 57.50 53.57 1x5e n TRP 119 Cb 0.45 -0.54 -0.07 0.00 -0.00 0.00 0.00 31.31 31.15 1x5e n TRP 119 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1x5e s PHE 120 N -2.31 1.36 -0.23 5.87 5.36 -1.26 -4.82 117.98 121.96 1x5e s PHE 120 Ca 0.39 1.63 -0.26 0.00 -0.96 0.00 0.00 56.93 57.72 1x5e s PHE 120 Cb 0.14 -3.60 0.08 0.00 -0.34 0.00 0.00 43.02 39.31 1x5e s PHE 120 CO -0.03 -1.43 0.79 0.45 -1.46 0.00 0.00 175.22 173.54 1x5e s SER 121 N 9.52 -0.65 0.00 6.13 0.15 -1.26 -4.36 113.70 123.22 1x5e s SER 121 Ca 0.84 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1x5e s SER 121 Cb -0.09 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1x5e s SER 121 CO 0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1x5e n GLY 122 N 2.16 1.66 3.55 9.45 0.00 -1.26 -4.99 105.19 115.76 1x5e n GLY 122 Ca -0.14 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.37 2.59 -0.06 1.61 0.04 -1.26 -4.84 135.00 131.71 1x5e s PRO 123 Ca 0.00 0.27 -0.14 0.00 0.04 0.00 0.00 61.00 61.17 1x5e s PRO 123 Cb 0.00 -4.65 -0.09 0.00 0.04 0.00 0.00 34.50 29.80 1x5e s PRO 123 CO 0.00 -2.99 0.57 0.66 0.04 0.00 0.00 177.00 175.28 1x5e h SER 124 N 13.58 -0.27 -3.07 6.66 4.64 -2.04 -3.45 113.55 129.60 1x5e h SER 124 Ca -0.12 -0.13 -0.55 0.00 -0.47 0.00 0.00 61.79 60.52 1x5e h SER 124 Cb 1.10 0.07 0.20 0.00 -0.31 0.00 0.00 62.40 63.46 1x5e h SER 124 CO 1.21 0.23 -0.64 -1.54 -0.87 0.00 0.00 176.83 175.22 1x5e n SER 125 N -4.99 -2.09 0.00 4.97 3.41 -1.26 -5.28 113.62 108.38 1x5e n SER 125 Ca -0.06 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1x5e n SER 125 Cb 0.19 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1x5e n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49