#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5e n SER 2 N 0.00 -1.99 -0.01 1.61 7.64 -1.26 -4.86 113.62 114.76 1x5e n SER 2 Ca 0.00 -1.08 -0.12 0.00 1.01 0.00 0.00 58.87 58.68 1x5e n SER 2 Cb 0.00 -2.49 -0.10 0.00 -1.01 0.00 0.00 64.21 60.61 1x5e n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x5e h SER 3 N -1.50 -0.06 -4.01 6.43 0.02 -2.09 -3.46 113.55 108.88 1x5e h SER 3 Ca -0.61 -0.56 -0.50 0.00 -0.84 0.00 0.00 61.79 59.28 1x5e h SER 3 Cb 1.38 0.02 0.19 0.00 0.14 0.00 0.00 62.40 64.13 1x5e h SER 3 CO 0.76 0.58 0.18 -0.83 -1.14 0.00 0.00 176.83 176.38 1x5e s GLY 4 N -3.48 1.65 -0.42 -3.77 0.00 -1.26 -4.99 107.32 95.05 1x5e s GLY 4 Ca -0.15 0.34 -0.07 0.00 0.00 0.00 0.00 44.72 44.83 1x5e s GLY 4 CO 0.60 0.83 0.25 -0.45 0.00 0.00 0.00 173.10 174.33 1x5e s SER 5 N -2.75 5.52 -0.36 1.64 0.15 -1.26 -5.05 113.70 111.59 1x5e s SER 5 Ca 0.66 -1.68 -0.06 0.00 0.70 0.00 0.00 55.95 55.57 1x5e s SER 5 Cb -0.22 -1.94 0.05 0.00 -1.71 0.00 0.00 66.02 62.20 1x5e s SER 5 CO 0.59 -0.55 0.14 -0.55 1.20 0.00 0.00 173.24 174.07 1x5e s SER 6 N 2.12 5.35 0.11 5.45 0.15 -1.26 -4.92 113.70 120.71 1x5e s SER 6 Ca 0.04 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1x5e s SER 6 Cb -0.23 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1x5e s SER 6 CO -0.00 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1x5e n GLY 7 N 4.80 -5.25 0.39 9.45 0.00 -1.26 -4.71 105.19 108.60 1x5e n GLY 7 Ca -0.11 -0.05 0.21 0.00 0.00 0.00 0.00 46.02 46.06 1x5e n GLY 7 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1x5e h ASN 8 N 4.36 0.53 -3.25 1.61 7.08 -1.91 -3.38 115.58 120.62 1x5e h ASN 8 Ca 0.00 0.10 -0.57 0.00 -3.08 0.00 0.00 56.30 52.75 1x5e h ASN 8 Cb 0.00 0.02 -0.06 0.00 -2.08 0.00 0.00 38.32 36.20 1x5e h ASN 8 CO 0.00 0.10 0.51 -0.69 -2.08 0.00 0.00 177.43 175.27 1x5e s VAL 9 N -5.60 4.82 0.21 6.14 1.01 -1.26 -4.50 120.40 121.22 1x5e s VAL 9 Ca -0.09 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 1x5e s VAL 9 Cb 0.26 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1x5e s VAL 9 CO 0.80 -0.02 0.62 -0.13 0.00 0.00 0.00 175.10 176.37 1x5e s ARG 10 N 2.31 4.02 -0.58 2.72 1.81 0.73 -4.89 118.95 125.07 1x5e s ARG 10 Ca 0.42 0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 54.87 1x5e s ARG 10 Cb -0.17 -2.80 0.15 0.00 -0.45 0.00 0.00 34.95 31.68 1x5e s ARG 10 CO 0.13 0.38 0.52 0.08 -0.68 0.00 0.00 175.30 175.73 1x5e s VAL 11 N -1.61 5.09 0.25 3.52 1.01 -1.26 -0.61 120.40 126.79 1x5e s VAL 11 Ca 0.43 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1x5e s VAL 11 Cb -0.14 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 1x5e s VAL 11 CO 0.20 -0.88 1.02 -0.63 0.00 0.00 0.00 175.10 174.80 1x5e s ILE 12 N 1.26 3.82 0.28 2.22 -1.09 -1.23 -4.99 121.20 121.47 1x5e s ILE 12 Ca 0.07 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 1x5e s ILE 12 Cb -0.26 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1x5e s ILE 12 CO 0.00 0.42 0.01 0.35 -1.23 0.00 0.00 174.94 174.49 1x5e n THR 13 N 1.45 0.00 0.67 2.92 -2.24 -1.26 -4.81 114.28 111.00 1x5e n THR 13 Ca -0.01 -1.33 0.06 0.00 -2.27 0.00 0.00 64.05 60.50 1x5e n THR 13 Cb 0.46 0.24 0.33 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.21 0.00 -0.00 3.42 -0.08 -1.26 -2.43 116.55 114.99 1x5e n ASP 14 Ca -0.11 -0.15 -0.00 0.00 -1.51 0.00 0.00 54.79 53.01 1x5e n ASP 14 Cb 0.36 -0.13 -0.00 0.00 2.34 0.00 0.00 41.12 43.69 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x5e n GLU 15 N -1.13 2.27 0.27 -0.67 4.71 -1.26 -4.65 120.64 120.17 1x5e n GLU 15 Ca 0.08 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.37 1x5e n GLU 15 Cb 0.07 -1.00 0.72 0.00 -1.01 0.00 0.00 31.44 30.21 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1x5e h ASN 16 N 0.00 0.00 -0.88 1.62 -0.73 -1.88 -3.20 115.58 110.51 1x5e h ASN 16 Ca -0.00 0.00 0.17 0.00 1.87 0.00 0.00 56.30 58.34 1x5e h ASN 16 Cb 1.01 0.00 -0.17 0.00 0.27 0.00 0.00 38.32 39.43 1x5e h ASN 16 CO -0.00 0.10 -0.23 -2.67 -0.37 0.00 0.00 177.43 174.26 1x5e n TRP 17 N -3.39 0.30 -0.32 0.67 4.27 -1.02 0.53 117.44 118.48 1x5e n TRP 17 Ca -0.01 1.07 0.09 0.00 -3.89 0.00 0.00 57.50 54.76 1x5e n TRP 17 Cb 0.28 -1.00 0.19 0.00 -1.36 0.00 0.00 31.31 29.42 1x5e n TRP 17 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1x5e n ARG 18 N -5.42 -0.08 -0.32 -2.67 1.74 -1.21 0.18 116.66 108.87 1x5e n ARG 18 Ca 0.14 1.37 0.12 0.00 -0.77 0.00 0.00 57.85 58.71 1x5e n ARG 18 Cb 0.43 -2.11 0.30 0.00 -1.02 0.00 0.00 32.46 30.06 1x5e n ARG 18 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x5e h GLU 19 N 0.00 0.57 -0.32 5.56 4.39 -0.19 0.46 114.58 125.05 1x5e h GLU 19 Ca 0.48 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.24 1x5e h GLU 19 Cb 0.86 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1x5e h GLU 19 CO -0.89 0.38 0.39 -0.07 -1.16 0.00 0.00 179.01 177.66 1x5e h LEU 20 N 0.59 0.00 -1.35 1.33 3.38 0.18 0.35 115.31 119.79 1x5e h LEU 20 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1x5e h LEU 20 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1x5e h LEU 20 CO -0.43 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.28 1x5e n LEU 21 N -3.63 1.66 -3.76 1.67 4.77 0.16 -4.34 117.00 113.54 1x5e n LEU 21 Ca 0.05 -0.84 -0.19 0.00 -0.03 0.00 0.00 56.01 55.01 1x5e n LEU 21 Cb 0.54 -0.52 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 1x5e n LEU 21 CO 0.26 0.30 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.64 1x5e s GLU 22 N -1.26 0.21 2.97 3.23 2.02 0.12 -4.32 118.70 121.68 1x5e s GLU 22 Ca 0.08 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1x5e s GLU 22 Cb 0.06 -0.56 0.00 0.00 0.10 0.00 0.00 34.13 33.73 1x5e s GLU 22 CO 0.02 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.49 1x5e n GLY 23 N 4.68 0.86 3.82 -1.39 0.00 -1.26 -4.71 105.19 107.18 1x5e n GLY 23 Ca -0.16 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 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 7.02 -0.18 1.61 1.01 -1.26 -0.91 116.67 119.97 1x5e s ASP 24 Ca 0.00 1.26 -0.07 0.00 0.71 0.00 0.00 52.55 54.44 1x5e s ASP 24 Cb 0.00 -2.36 0.08 0.00 1.01 0.00 0.00 42.92 41.65 1x5e s ASP 24 CO 0.00 0.19 0.39 0.26 0.21 0.00 0.00 175.17 176.22 1x5e s TRP 25 N -1.26 -0.68 -0.33 4.23 0.52 0.14 -3.63 118.94 117.93 1x5e s TRP 25 Ca 0.34 1.36 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 1x5e s TRP 25 Cb -0.18 0.24 -0.01 0.00 -1.15 0.00 0.00 33.47 32.37 1x5e s TRP 25 CO 0.20 -0.42 0.20 -1.64 0.02 0.00 0.00 176.95 175.31 1x5e s MET 26 N 2.22 3.37 0.14 4.98 -1.94 0.75 -0.90 119.30 127.92 1x5e s MET 26 Ca -0.04 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 1x5e s MET 26 Cb -0.11 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 1x5e s MET 26 CO -0.12 -0.45 -0.08 0.42 -0.01 0.00 0.00 175.02 174.78 1x5e s ILE 27 N 1.66 3.38 -0.22 2.53 1.01 -0.58 -0.26 121.20 128.73 1x5e s ILE 27 Ca 0.05 -1.42 -0.03 0.00 0.00 0.00 0.00 60.65 59.25 1x5e s ILE 27 Cb -0.17 -2.63 0.10 0.00 0.01 0.00 0.00 42.46 39.77 1x5e s ILE 27 CO 0.08 -0.00 0.25 -1.83 0.00 0.00 0.00 174.94 173.44 1x5e s GLU 28 N -2.54 0.23 -0.36 2.79 4.04 -1.24 -0.09 118.70 121.52 1x5e s GLU 28 Ca 0.24 0.20 -0.29 0.00 0.04 0.00 0.00 54.97 55.16 1x5e s GLU 28 Cb -0.10 -1.04 -0.00 0.00 0.02 0.00 0.00 34.13 33.00 1x5e s GLU 28 CO 0.15 -0.70 1.51 -0.06 -1.84 0.00 0.00 175.26 174.32 1x5e s PHE 29 N 2.36 2.26 0.45 4.83 0.40 0.15 -3.59 117.98 124.83 1x5e s PHE 29 Ca 0.08 0.67 0.05 0.00 -0.60 0.00 0.00 56.93 57.12 1x5e s PHE 29 Cb -0.15 -4.19 -0.05 0.00 0.51 0.00 0.00 43.02 39.13 1x5e s PHE 29 CO -0.15 -2.28 0.05 1.52 0.70 0.00 0.00 175.22 175.05 1x5e s TYR 30 N 5.63 2.25 -0.06 0.36 -0.85 -1.21 -2.55 117.35 120.93 1x5e s TYR 30 Ca 0.66 -0.77 -0.05 0.00 -0.52 0.00 0.00 57.07 56.39 1x5e s TYR 30 Cb -0.17 -1.75 0.02 0.00 0.38 0.00 0.00 41.96 40.43 1x5e s TYR 30 CO 0.32 0.29 0.16 0.00 -1.52 0.00 0.00 175.55 174.80 1x5e s ALA 31 N -2.76 -0.39 0.28 9.51 0.00 -1.26 -3.36 121.76 123.78 1x5e s ALA 31 Ca 0.25 0.47 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1x5e s ALA 31 Cb 0.06 -0.28 0.39 0.00 0.00 0.00 0.00 23.12 23.29 1x5e s ALA 31 CO 0.13 -0.08 1.66 -1.00 0.00 0.00 0.00 175.76 176.47 1x5e h PRO 32 N 6.01 0.24 -0.00 0.00 0.13 -1.99 -2.79 132.00 133.60 1x5e h PRO 32 Ca -0.27 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1x5e h PRO 32 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x5e h PRO 32 CO 0.41 0.66 -0.30 -2.67 -0.23 0.00 0.00 178.00 175.87 1x5e n TRP 33 N -3.98 0.00 -3.11 1.56 4.27 -1.26 -4.84 117.44 110.08 1x5e n TRP 33 Ca -0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.20 1x5e n TRP 33 Cb 0.52 -0.29 -0.05 0.00 -1.36 0.00 0.00 31.31 30.13 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 6.39 -0.06 -0.80 0.00 0.13 -1.88 -3.25 132.00 132.53 1x5e h PRO 35 Ca -0.42 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.90 1x5e h PRO 35 Cb 1.20 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1x5e h PRO 35 CO 0.74 0.41 0.23 0.00 -0.23 0.00 0.00 178.00 179.14 1x5e h ALA 36 N 0.36 1.11 -0.41 -0.56 0.00 -1.94 -0.24 119.26 117.58 1x5e h ALA 36 Ca -0.01 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1x5e h ALA 36 Cb 0.50 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1x5e h ALA 36 CO 0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 179.25 178.83 1x5e h GLN 38 N 0.03 0.13 -0.01 0.00 4.20 -1.08 0.54 115.11 118.93 1x5e h GLN 38 Ca 0.20 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.69 1x5e h GLN 38 Cb 0.30 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1x5e h GLN 38 CO -0.39 0.09 -0.91 -0.91 -0.67 0.00 0.00 178.83 176.04 1x5e h ASN 39 N 0.14 0.47 1.20 1.46 2.35 -0.79 -3.22 115.58 117.18 1x5e h ASN 39 Ca 0.51 -0.37 -0.15 0.00 -0.55 0.00 0.00 56.30 55.74 1x5e h ASN 39 Cb 1.77 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.98 1x5e h ASN 39 CO -0.09 1.17 -0.71 0.25 -1.65 0.00 0.00 177.43 176.39 1x5e h LEU 40 N 0.21 0.00 -0.82 1.61 5.85 0.34 -3.33 115.31 119.17 1x5e h LEU 40 Ca -0.07 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1x5e h LEU 40 Cb 1.54 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.46 1x5e h LEU 40 CO 0.15 0.71 -0.42 0.00 -0.34 0.00 0.00 178.44 178.54 1x5e n GLN 41 N -3.33 -0.30 -0.06 1.25 1.13 0.13 0.13 117.38 116.33 1x5e n GLN 41 Ca 0.01 1.24 -0.13 0.00 -1.94 0.00 0.00 57.00 56.18 1x5e n GLN 41 Cb 0.80 -1.84 -0.07 0.00 0.11 0.00 0.00 30.24 29.25 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 0.41 -0.85 -1.09 0.13 -1.76 -2.73 132.00 126.11 1x5e h PRO 42 Ca 0.19 -0.21 0.19 0.00 -0.87 0.00 0.00 66.00 65.29 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 -0.79 0.77 0.57 0.93 -0.23 0.00 0.00 178.00 179.26 1x5e h GLU 43 N 0.05 0.35 -0.01 0.86 3.07 -1.04 -0.76 114.58 117.11 1x5e h GLU 43 Ca 0.03 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1x5e h GLU 43 Cb 0.70 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1x5e h GLU 43 CO 0.04 0.23 -0.11 2.35 -1.40 0.00 0.00 179.01 180.13 1x5e h TRP 44 N 0.36 0.13 -0.45 4.33 -0.00 -0.25 -2.94 115.95 117.12 1x5e h TRP 44 Ca 0.43 -0.06 0.08 0.00 -0.00 0.00 0.00 58.89 59.34 1x5e h TRP 44 Cb 1.12 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 30.20 1x5e h TRP 44 CO -0.00 0.81 0.07 0.93 -0.00 0.00 0.00 178.44 180.25 1x5e h GLU 45 N -0.60 0.20 -0.30 2.65 5.08 -0.98 -0.09 114.58 120.54 1x5e h GLU 45 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1x5e h GLU 45 Cb 0.84 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1x5e h GLU 45 CO 0.02 0.13 0.15 0.77 -1.00 0.00 0.00 179.01 179.08 1x5e h SER 46 N 0.20 0.36 0.46 1.42 0.02 -1.27 -3.01 113.55 111.73 1x5e h SER 46 Ca 0.23 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1x5e h SER 46 Cb 0.30 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1x5e h SER 46 CO -0.31 0.31 -0.22 0.15 -1.14 0.00 0.00 176.83 175.62 1x5e h PHE 47 N 0.42 -0.57 -0.22 3.45 3.57 -0.89 -3.03 116.94 119.66 1x5e h PHE 47 Ca 0.11 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1x5e h PHE 47 Cb 0.03 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1x5e h PHE 47 CO 0.00 -0.28 0.81 0.00 -2.23 0.00 0.00 178.31 176.61 1x5e h ALA 48 N -0.94 2.01 0.38 2.41 0.00 -0.99 -0.57 119.26 121.56 1x5e h ALA 48 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x5e h ALA 48 Cb 0.54 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1x5e h ALA 48 CO 0.10 -0.92 -0.46 0.93 0.00 0.00 0.00 179.25 178.90 1x5e h GLU 49 N 0.00 -0.85 -0.01 0.00 5.08 -1.41 -2.42 114.58 114.97 1x5e h GLU 49 Ca 0.11 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1x5e h GLU 49 Cb 1.72 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1x5e h GLU 49 CO -0.00 -0.56 -0.00 -2.67 -1.00 0.00 0.00 179.01 174.77 1x5e n TRP 50 N -5.52 0.00 0.00 4.33 4.27 -0.28 -4.46 117.44 115.77 1x5e n TRP 50 Ca -0.10 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.50 1x5e n TRP 50 Cb 0.43 -0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.37 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 4.86 -1.31 1.67 -1.67 0.00 -0.86 -0.29 103.07 105.47 1x5e h GLY 51 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.91 1x5e h GLY 51 CO 0.00 -0.50 0.15 1.05 0.00 0.00 0.00 176.54 177.24 1x5e h GLU 52 N -0.01 0.00 -0.43 4.80 9.09 -1.66 -0.51 114.58 125.87 1x5e h GLU 52 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 1x5e h GLU 52 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1x5e h GLU 52 CO -0.00 0.00 -0.24 -0.44 0.05 0.00 0.00 179.01 178.38 1x5e h ASP 53 N 0.00 0.91 -0.28 3.06 3.32 -1.47 -2.60 116.42 119.36 1x5e h ASP 53 Ca 0.03 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1x5e h ASP 53 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1x5e h ASP 53 CO -0.00 1.11 0.00 0.18 -1.72 0.00 0.00 179.24 178.81 1x5e n LEU 54 N -4.10 1.70 -2.24 1.55 4.77 -0.24 -4.91 117.00 113.53 1x5e n LEU 54 Ca -0.00 -0.82 -0.08 0.00 -0.03 0.00 0.00 56.01 55.09 1x5e n LEU 54 Cb 0.46 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1x5e n LEU 54 CO 0.46 0.41 0.03 1.21 -1.33 0.00 0.00 177.39 178.17 1x5e n GLU 55 N 0.40 -2.10 -3.68 3.23 2.13 -0.98 -4.93 120.64 114.71 1x5e n GLU 55 Ca 0.12 0.41 -0.10 0.00 0.66 0.00 0.00 57.16 58.25 1x5e n GLU 55 Cb 0.29 -3.82 -0.11 0.00 0.27 0.00 0.00 31.44 28.07 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 -3.18 -0.24 0.27 6.31 0.11 -0.95 -4.90 120.40 117.83 1x5e s VAL 56 Ca 0.11 0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 59.07 1x5e s VAL 56 Cb -0.01 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.14 1x5e s VAL 56 CO 0.35 0.05 0.83 0.20 -3.33 0.00 0.00 175.10 173.20 1x5e s ASN 57 N 1.83 7.18 -0.10 3.54 0.01 -1.24 -2.89 114.94 123.27 1x5e s ASN 57 Ca -0.06 1.61 0.01 0.00 -0.71 0.00 0.00 52.86 53.71 1x5e s ASN 57 Cb -0.10 -2.49 0.02 0.00 0.41 0.00 0.00 41.25 39.09 1x5e s ASN 57 CO -0.12 -0.02 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.69 1x5e s ILE 58 N -1.58 1.29 0.36 0.60 1.09 -1.26 -0.18 121.20 121.51 1x5e s ILE 58 Ca 0.47 -0.51 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 1x5e s ILE 58 Cb -0.17 -1.20 -0.06 0.00 -1.06 0.00 0.00 42.46 39.97 1x5e s ILE 58 CO 0.22 0.40 0.06 0.00 -0.10 0.00 0.00 174.94 175.52 1x5e s ALA 59 N 1.06 2.66 -0.00 9.38 0.00 0.65 -0.19 121.76 135.31 1x5e s ALA 59 Ca -0.06 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.01 1x5e s ALA 59 Cb -0.15 0.56 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1x5e s ALA 59 CO -0.02 -0.27 -0.03 -1.59 0.00 0.00 0.00 175.76 173.85 1x5e s LYS 60 N -3.84 0.28 0.07 0.00 -2.85 0.22 -3.72 119.74 109.90 1x5e s LYS 60 Ca 0.33 -0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.24 1x5e s LYS 60 Cb 0.08 -0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 1x5e s LYS 60 CO 0.15 0.07 -0.17 0.08 0.10 0.00 0.00 175.35 175.58 1x5e s VAL 61 N -0.12 2.87 -0.23 1.79 1.01 -1.24 -3.52 120.40 120.96 1x5e s VAL 61 Ca 0.01 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 1x5e s VAL 61 Cb -0.02 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1x5e s VAL 61 CO -0.00 0.24 -0.00 -0.62 0.00 0.00 0.00 175.10 174.72 1x5e s ASP 62 N -1.73 4.61 -0.08 3.32 -1.08 -1.26 -3.33 116.67 117.11 1x5e s ASP 62 Ca 0.16 -0.34 0.01 0.00 -0.52 0.00 0.00 52.55 51.86 1x5e s ASP 62 Cb -0.11 -1.80 0.14 0.00 -1.46 0.00 0.00 42.92 39.69 1x5e s ASP 62 CO 0.07 -0.03 1.10 1.33 0.52 0.00 0.00 175.17 178.16 1x5e n VAL 63 N 4.84 1.26 0.00 1.11 0.24 -1.21 -2.10 118.33 122.47 1x5e n VAL 63 Ca -0.17 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 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 0.16 0.00 -0.03 3.34 -2.24 -1.26 -4.83 114.28 109.42 1x5e n THR 64 Ca 0.11 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 1x5e n THR 64 Cb 0.68 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.71 -3.74 -0.78 -0.58 -1.22 -4.74 120.64 108.96 1x5e n GLU 65 Ca 0.00 -0.13 -0.34 0.00 -0.42 0.00 0.00 57.16 56.27 1x5e n GLU 65 Cb 0.21 -1.43 -0.09 0.00 -0.57 0.00 0.00 31.44 29.56 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 -3.06 2.84 0.47 3.49 -1.52 -0.89 -4.90 119.66 116.09 1x5e s GLN 66 Ca -0.07 -3.10 0.26 0.00 -1.95 0.00 0.00 55.36 50.50 1x5e s GLN 66 Cb 0.10 -3.73 1.11 0.00 -0.22 0.00 0.00 33.01 30.27 1x5e s GLN 66 CO 0.74 -1.24 1.90 -1.00 -0.25 0.00 0.00 175.29 175.45 1x5e h PRO 67 N 6.09 0.00 0.20 2.91 0.13 -1.85 -3.16 132.00 136.32 1x5e h PRO 67 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1x5e h PRO 67 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1x5e h PRO 67 CO 0.78 0.18 -0.10 0.78 -0.23 0.00 0.00 178.00 179.41 1x5e h GLY 68 N 1.78 -0.28 -0.22 1.56 0.00 -1.96 -3.31 103.07 100.64 1x5e h GLY 68 Ca -0.00 0.10 0.15 0.00 0.00 0.00 0.00 47.33 47.58 1x5e h GLY 68 CO 0.02 -0.10 -0.01 1.41 0.00 0.00 0.00 176.54 177.86 1x5e h LEU 69 N -1.02 -0.33 -1.24 3.11 3.38 -1.95 0.28 115.31 117.54 1x5e h LEU 69 Ca -0.03 0.18 0.32 0.00 0.09 0.00 0.00 57.88 58.44 1x5e h LEU 69 Cb 0.36 0.31 -0.12 0.00 0.09 0.00 0.00 40.66 41.30 1x5e h LEU 69 CO 0.05 -0.15 0.68 0.28 0.09 0.00 0.00 178.44 179.38 1x5e h SER 70 N 0.10 0.44 0.47 -0.43 0.02 -1.67 0.14 113.55 112.63 1x5e h SER 70 Ca 0.36 0.13 -0.30 0.00 -0.84 0.00 0.00 61.79 61.14 1x5e h SER 70 Cb 0.61 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1x5e h SER 70 CO -0.60 -0.03 -1.57 1.23 -1.14 0.00 0.00 176.83 174.71 1x5e h GLY 71 N 0.32 0.22 1.43 -3.77 0.00 -0.62 -1.40 103.07 99.25 1x5e h GLY 71 Ca 0.69 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.48 1x5e h GLY 71 CO -0.43 0.48 0.27 3.21 0.00 0.00 0.00 176.54 180.08 1x5e h ARG 72 N 0.05 0.00 0.00 4.80 2.47 0.10 -0.74 114.38 121.07 1x5e h ARG 72 Ca -0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1x5e h ARG 72 Cb 2.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.32 1x5e h ARG 72 CO 0.14 0.00 -0.06 1.19 0.56 0.00 0.00 179.97 181.80 1x5e n PHE 73 N -3.04 0.00 -3.48 3.04 3.01 -0.96 -4.97 117.46 111.05 1x5e n PHE 73 Ca -0.01 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.25 1x5e n PHE 73 Cb 0.34 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.87 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 -0.97 -6.63 -2.65 4.37 -0.00 -0.28 -4.93 119.36 108.27 1x5e n ILE 74 Ca 0.00 -0.86 -0.43 0.00 -0.00 0.00 0.00 62.75 61.46 1x5e n ILE 74 Cb 0.00 -5.07 -0.02 0.00 -0.00 0.00 0.00 39.64 34.54 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 -3.47 4.68 -0.12 1.39 -1.09 -0.83 -4.89 121.20 116.86 1x5e s ILE 75 Ca 0.23 1.99 -0.01 0.00 -2.23 0.00 0.00 60.65 60.63 1x5e s ILE 75 Cb -0.05 -4.28 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 1x5e s ILE 75 CO 0.78 -0.11 -0.12 -0.46 -1.23 0.00 0.00 174.94 173.80 1x5e n ASN 76 N 5.83 2.56 -4.86 3.58 0.23 -1.26 -4.98 115.26 116.36 1x5e n ASN 76 Ca 0.11 -0.01 -0.35 0.00 -0.53 0.00 0.00 54.58 53.79 1x5e n ASN 76 Cb 0.47 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 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 -2.24 3.83 0.02 -2.53 0.00 -1.26 -5.11 121.76 114.46 1x5e s ALA 77 Ca -0.17 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 1x5e s ALA 77 Cb 0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1x5e s ALA 77 CO 0.27 0.67 0.09 -0.51 0.00 0.00 0.00 175.76 176.28 1x5e s LEU 78 N -1.39 1.76 1.01 0.00 1.43 -1.26 -4.27 118.68 115.96 1x5e s LEU 78 Ca 0.20 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1x5e s LEU 78 Cb -0.12 0.55 0.19 0.00 0.03 0.00 0.00 46.19 46.84 1x5e s LEU 78 CO 0.10 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.21 1x5e s PRO 79 N -1.79 0.36 -0.22 1.29 0.04 -1.26 -4.96 135.00 128.47 1x5e s PRO 79 Ca -0.12 0.51 -0.10 0.00 0.04 0.00 0.00 61.00 61.33 1x5e s PRO 79 Cb -0.06 -1.73 0.09 0.00 0.04 0.00 0.00 34.50 32.84 1x5e s PRO 79 CO -0.01 -2.78 0.50 0.99 0.04 0.00 0.00 177.00 175.75 1x5e s THR 80 N -2.96 -0.41 -0.09 1.26 2.01 -1.06 -4.98 115.64 109.42 1x5e s THR 80 Ca 0.65 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.71 1x5e s THR 80 Cb -0.19 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1x5e s THR 80 CO 0.58 0.04 0.07 -0.63 -0.69 0.00 0.00 174.62 173.98 1x5e s ILE 81 N 2.13 4.87 -0.07 1.82 1.01 -1.26 0.30 121.20 130.00 1x5e s ILE 81 Ca -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1x5e s ILE 81 Cb -0.10 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.28 1x5e s ILE 81 CO -0.15 0.58 -0.13 -0.31 0.00 0.00 0.00 174.94 174.92 1x5e s TYR 82 N -0.99 1.57 -0.39 3.97 1.51 0.87 -1.58 117.35 122.31 1x5e s TYR 82 Ca 0.15 -0.60 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 1x5e s TYR 82 Cb -0.12 -1.14 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1x5e s TYR 82 CO 0.05 -0.31 0.34 -1.58 -1.11 0.00 0.00 175.55 172.94 1x5e s HIS 83 N 0.70 3.21 -0.39 2.71 5.65 0.87 -1.52 115.29 126.52 1x5e s HIS 83 Ca -0.14 -0.35 -0.10 0.00 0.25 0.00 0.00 55.06 54.72 1x5e s HIS 83 Cb -0.16 -2.67 0.05 0.00 -1.18 0.00 0.00 32.58 28.62 1x5e s HIS 83 CO 0.03 -0.55 0.22 0.00 -0.65 0.00 0.00 174.74 173.80 1x5e s LYS 85 N 1.50 1.86 -1.46 0.00 2.20 0.59 0.26 119.74 124.68 1x5e s LYS 85 Ca 0.02 -1.70 -0.08 0.00 -0.36 0.00 0.00 55.97 53.85 1x5e s LYS 85 Cb -0.21 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1x5e s LYS 85 CO 0.05 -0.87 0.84 -3.47 -0.36 0.00 0.00 175.35 171.53 1x5e n ASP 86 N 4.42 -5.68 0.00 1.43 2.03 -0.08 -1.54 116.55 117.12 1x5e n ASP 86 Ca -0.03 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.82 1x5e n ASP 86 Cb 0.42 -4.55 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5e n GLY 87 N -1.66 2.98 3.62 0.27 0.00 -1.26 -4.92 105.19 104.22 1x5e n GLY 87 Ca -0.04 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1x5e n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5e s GLU 88 N 0.00 3.68 -0.06 1.61 2.02 -0.59 -4.98 118.70 120.38 1x5e s GLU 88 Ca 0.00 1.72 -0.15 0.00 0.02 0.00 0.00 54.97 56.56 1x5e s GLU 88 Cb 0.00 -4.10 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 1x5e s GLU 88 CO 0.00 -1.44 0.38 -0.06 0.02 0.00 0.00 175.26 174.16 1x5e s PHE 89 N 5.72 3.64 -0.08 1.61 0.08 -1.26 -0.30 117.98 127.39 1x5e s PHE 89 Ca 0.77 0.88 -0.02 0.00 0.12 0.00 0.00 56.93 58.68 1x5e s PHE 89 Cb -0.26 -2.32 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 1x5e s PHE 89 CO 0.31 0.49 0.02 1.03 -0.10 0.00 0.00 175.22 176.98 1x5e s ARG 90 N -0.50 0.46 0.31 0.44 0.52 0.22 -0.39 118.95 120.00 1x5e s ARG 90 Ca 0.22 0.09 -0.29 0.00 -0.52 0.00 0.00 55.73 55.23 1x5e s ARG 90 Cb -0.15 -1.05 -0.10 0.00 0.52 0.00 0.00 34.95 34.16 1x5e s ARG 90 CO 0.11 -0.36 1.42 0.50 0.02 0.00 0.00 175.30 176.98 1x5e s ARG 91 N 2.01 4.25 0.22 3.54 3.52 -1.26 -0.09 118.95 131.14 1x5e s ARG 91 Ca 0.04 2.35 -0.30 0.00 -0.13 0.00 0.00 55.73 57.70 1x5e s ARG 91 Cb -0.13 -3.06 -0.08 0.00 -1.56 0.00 0.00 34.95 30.12 1x5e s ARG 91 CO -0.05 -0.38 1.03 -0.47 -0.81 0.00 0.00 175.30 174.62 1x5e s TYR 92 N -0.62 3.74 -0.49 5.12 5.04 -0.61 -4.88 117.35 124.66 1x5e s TYR 92 Ca 0.55 1.76 0.08 0.00 -2.44 0.00 0.00 57.07 57.01 1x5e s TYR 92 Cb -0.43 -3.16 0.28 0.00 0.35 0.00 0.00 41.96 39.01 1x5e s TYR 92 CO 0.51 -0.15 0.69 1.04 -1.34 0.00 0.00 175.55 176.30 1x5e n GLN 93 N 1.76 1.65 -4.11 4.97 6.02 -1.26 -4.83 117.38 121.59 1x5e n GLN 93 Ca -0.00 -3.91 -0.14 0.00 -0.01 0.00 0.00 57.00 52.94 1x5e n GLN 93 Cb 0.46 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.12 1.40 0.00 1.08 0.00 -1.26 -5.02 107.32 101.40 1x5e s GLY 94 Ca 0.39 -1.48 0.15 0.00 0.00 0.00 0.00 44.72 43.78 1x5e s GLY 94 CO -0.08 -1.03 1.38 -1.55 0.00 0.00 0.00 173.10 171.82 1x5e n PRO 95 N -0.50 0.32 -3.34 2.90 -0.04 -1.26 -4.88 135.00 128.21 1x5e n PRO 95 Ca 0.01 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1x5e n PRO 95 Cb 0.62 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.17 -4.67 -5.06 0.54 1.74 -1.26 -5.02 116.66 101.76 1x5e n ARG 96 Ca 0.09 0.85 -0.31 0.00 -0.77 0.00 0.00 57.85 57.71 1x5e n ARG 96 Cb 0.09 -5.82 -0.15 0.00 -1.02 0.00 0.00 32.46 25.56 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 -3.37 2.22 0.13 0.55 -4.23 -1.26 -4.96 115.64 104.71 1x5e s THR 97 Ca 0.20 -1.21 -0.21 0.00 -1.18 0.00 0.00 61.69 59.29 1x5e s THR 97 Cb -0.03 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1x5e s THR 97 CO 0.73 0.47 1.14 1.17 -0.54 0.00 0.00 174.62 177.59 1x5e n LYS 98 N 2.08 -0.30 0.02 3.99 4.81 -1.26 -1.08 118.16 126.41 1x5e n LYS 98 Ca -0.16 1.12 -0.03 0.00 -0.87 0.00 0.00 58.31 58.36 1x5e n LYS 98 Cb 0.52 -1.64 -0.02 0.00 0.02 0.00 0.00 35.03 33.90 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 -0.13 -0.88 1.64 3.64 -1.96 -2.78 116.57 116.09 1x5e h LYS 99 Ca 0.14 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1x5e h LYS 99 Cb 0.32 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.06 1x5e h LYS 99 CO -0.70 -0.09 -0.49 -0.25 -2.27 0.00 0.00 179.45 175.66 1x5e n ASP 100 N -3.04 -0.87 -0.21 4.20 9.92 -0.30 -1.00 116.55 125.24 1x5e n ASP 100 Ca -0.02 1.56 -0.06 0.00 -0.53 0.00 0.00 54.79 55.75 1x5e n ASP 100 Cb 0.08 -0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 40.28 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 -5.14 -0.22 -0.02 1.24 3.72 -0.24 -1.53 117.46 115.27 1x5e n PHE 101 Ca 0.03 0.63 -0.00 0.00 -0.05 0.00 0.00 57.45 58.05 1x5e n PHE 101 Cb 0.25 -0.51 -0.00 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 -4.16 -0.03 -0.20 4.37 -0.00 -0.17 -0.69 119.36 118.48 1x5e n ILE 102 Ca 0.01 1.04 -0.12 0.00 -0.00 0.00 0.00 62.75 63.68 1x5e n ILE 102 Cb 0.13 -1.37 -0.09 0.00 -0.00 0.00 0.00 39.64 38.31 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 -1.78 -1.16 4.38 2.35 -1.29 0.72 115.58 118.80 1x5e h ASN 103 Ca 0.01 0.24 0.34 0.00 -0.55 0.00 0.00 56.30 56.34 1x5e h ASN 103 Cb 0.02 0.75 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 1x5e h ASN 103 CO -0.04 -0.33 1.19 0.33 -1.65 0.00 0.00 177.43 176.94 1x5e n PHE 104 N -5.11 0.00 -0.07 1.19 7.35 0.13 0.15 117.46 121.10 1x5e n PHE 104 Ca -0.02 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.60 1x5e n PHE 104 Cb 0.29 -0.29 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1x5e n PHE 104 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1x5e n ILE 105 N -3.26 1.15 0.02 -2.13 2.08 0.21 -3.30 119.36 114.13 1x5e n ILE 105 Ca 0.26 0.23 -0.11 0.00 0.56 0.00 0.00 62.75 63.69 1x5e n ILE 105 Cb 1.54 -2.16 -0.06 0.00 -0.75 0.00 0.00 39.64 38.22 1x5e n ILE 105 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1x5e h SER 106 N -0.77 -0.02 0.00 4.38 0.02 0.81 -0.97 113.55 117.01 1x5e h SER 106 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x5e h SER 106 Cb 0.74 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1x5e h SER 106 CO 0.00 -0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.16 1x5e n ASP 107 N -5.10 0.05 -2.41 3.07 9.92 0.40 -4.84 116.55 117.64 1x5e n ASP 107 Ca -0.06 -1.90 -0.08 0.00 -0.53 0.00 0.00 54.79 52.22 1x5e n ASP 107 Cb 0.05 -0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.47 -2.02 0.06 -1.24 5.02 -0.37 -4.63 118.16 114.52 1x5e n LYS 108 Ca 0.00 0.03 0.20 0.00 -2.02 0.00 0.00 58.31 56.51 1x5e n LYS 108 Cb 0.01 -3.31 0.57 0.00 -0.02 0.00 0.00 35.03 32.29 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 -0.16 0.00 -0.95 1.97 4.39 -1.69 0.16 114.58 118.30 1x5e h GLU 109 Ca -0.11 0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.86 1x5e h GLU 109 Cb 0.80 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 1x5e h GLU 109 CO 0.17 0.00 0.69 0.11 -1.16 0.00 0.00 179.01 178.82 1x5e h TRP 110 N 0.00 0.00 -0.77 4.33 5.08 -1.82 0.25 115.95 123.03 1x5e h TRP 110 Ca 0.23 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.29 1x5e h TRP 110 Cb 1.71 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.82 1x5e h TRP 110 CO 0.00 0.00 0.50 0.87 -1.28 0.00 0.00 178.44 178.53 1x5e h LYS 111 N 0.00 0.73 -0.95 0.12 1.57 -1.01 0.38 116.57 117.41 1x5e h LYS 111 Ca 0.45 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1x5e h LYS 111 Cb 1.83 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 33.91 1x5e h LYS 111 CO -0.00 0.48 0.15 0.43 -0.57 0.00 0.00 179.45 179.93 1x5e n SER 112 N -4.49 3.06 -4.06 0.86 7.64 0.89 -4.80 113.62 112.72 1x5e n SER 112 Ca 0.12 -2.48 -0.25 0.00 1.01 0.00 0.00 58.87 57.27 1x5e n SER 112 Cb 0.28 -0.60 -0.16 0.00 -1.01 0.00 0.00 64.21 62.72 1x5e n SER 112 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x5e s ILE 113 N -1.33 1.19 -0.19 0.44 1.01 0.12 -5.11 121.20 117.34 1x5e s ILE 113 Ca 0.20 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 1x5e s ILE 113 Cb 0.16 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 1x5e s ILE 113 CO 0.04 0.36 1.43 -1.61 0.00 0.00 0.00 174.94 175.17 1x5e s GLU 114 N 0.40 4.04 0.01 2.79 2.02 -1.26 -5.00 118.70 121.69 1x5e s GLU 114 Ca -0.10 1.66 -0.00 0.00 0.02 0.00 0.00 54.97 56.55 1x5e s GLU 114 Cb -0.13 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1x5e s GLU 114 CO 0.03 -0.98 0.01 -0.35 0.02 0.00 0.00 175.26 173.99 1x5e n PRO 115 N 7.13 -1.03 -4.91 0.39 -0.04 -1.26 -4.46 135.00 130.82 1x5e n PRO 115 Ca 0.16 -0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1x5e n PRO 115 Cb 0.45 -0.01 -0.15 0.00 -0.04 0.00 0.00 33.50 33.75 1x5e n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1x5e s VAL 116 N -1.01 1.50 -0.47 0.52 -7.23 0.47 -4.92 120.40 109.26 1x5e s VAL 116 Ca 0.00 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 1x5e s VAL 116 Cb -0.00 -1.24 0.40 0.00 0.56 0.00 0.00 36.38 36.09 1x5e s VAL 116 CO 0.00 0.42 1.03 -1.54 -0.31 0.00 0.00 175.10 174.70 1x5e n SER 117 N 2.60 4.15 -2.13 4.85 3.41 -1.26 -4.44 113.62 120.81 1x5e n SER 117 Ca -0.15 -3.58 -0.11 0.00 -0.26 0.00 0.00 58.87 54.77 1x5e n SER 117 Cb 0.53 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1x5e n SER 117 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5e n SER 118 N -0.34 3.20 -4.01 4.04 3.41 -1.26 -5.01 113.62 113.66 1x5e n SER 118 Ca 0.33 -3.05 -0.31 0.00 -0.26 0.00 0.00 58.87 55.58 1x5e n SER 118 Cb 0.59 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 1x5e n SER 118 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1x5e s TRP 119 N -3.39 2.87 -0.26 7.33 -0.11 -1.26 -4.97 118.94 119.15 1x5e s TRP 119 Ca 0.40 -2.07 0.16 0.00 1.22 0.00 0.00 56.10 55.81 1x5e s TRP 119 Cb 0.37 -1.78 0.48 0.00 -1.50 0.00 0.00 33.47 31.04 1x5e s TRP 119 CO -0.01 -0.83 1.15 1.97 -4.62 0.00 0.00 176.95 174.60 1x5e n PHE 120 N 4.54 1.75 -2.91 5.86 1.16 -1.26 -5.07 117.46 121.53 1x5e n PHE 120 Ca -0.13 -2.08 -0.41 0.00 -1.87 0.00 0.00 57.45 52.97 1x5e n PHE 120 Cb 0.43 -0.27 -0.04 0.00 -1.61 0.00 0.00 39.48 37.99 1x5e n PHE 120 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1x5e s SER 121 N -3.63 7.07 0.00 5.98 0.15 -1.26 -4.61 113.70 117.40 1x5e s SER 121 Ca 0.37 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1x5e s SER 121 Cb 0.36 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1x5e s SER 121 CO -0.02 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1x5e n GLY 122 N 3.17 1.23 3.57 9.45 0.00 -1.26 -5.01 105.19 116.35 1x5e n GLY 122 Ca 0.03 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 2.51 0.12 1.61 0.04 -1.26 -4.94 135.00 133.07 1x5e s PRO 123 Ca 0.00 -0.87 -0.26 0.00 0.04 0.00 0.00 61.00 59.91 1x5e s PRO 123 Cb 0.00 -5.18 -0.07 0.00 0.04 0.00 0.00 34.50 29.29 1x5e s PRO 123 CO 0.00 -3.78 0.80 0.45 0.04 0.00 0.00 177.00 174.51 1x5e s SER 124 N 7.02 7.34 -0.58 6.66 0.15 -1.26 -4.96 113.70 128.07 1x5e s SER 124 Ca 0.69 1.60 -0.02 0.00 0.70 0.00 0.00 55.95 58.92 1x5e s SER 124 Cb -0.03 -2.50 0.34 0.00 -1.71 0.00 0.00 66.02 62.12 1x5e s SER 124 CO 0.08 0.10 2.10 -1.54 1.20 0.00 0.00 173.24 175.18 1x5e n SER 125 N 2.20 7.26 0.00 5.45 3.41 -1.26 -5.26 113.62 125.42 1x5e n SER 125 Ca -0.03 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 1x5e n SER 125 Cb 0.49 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1x5e n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49