#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 5.39 -0.30 1.61 0.15 -1.26 -4.98 113.70 114.31 1x5e s SER 2 Ca 0.00 -3.71 -0.13 0.00 0.70 0.00 0.00 55.95 52.81 1x5e s SER 2 Cb 0.00 -1.78 0.18 0.00 -1.71 0.00 0.00 66.02 62.71 1x5e s SER 2 CO 0.00 -0.15 1.02 -0.55 1.20 0.00 0.00 173.24 174.76 1x5e s SER 3 N -0.68 -0.52 0.82 5.45 0.15 -1.26 -5.15 113.70 112.51 1x5e s SER 3 Ca 0.25 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1x5e s SER 3 Cb -0.08 1.49 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 1x5e s SER 3 CO -0.13 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1x5e n GLY 4 N 5.24 -0.95 3.65 9.45 0.00 -1.26 -4.92 105.19 116.40 1x5e n GLY 4 Ca -0.07 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.37 4.03 0.10 1.61 0.15 -1.26 -5.07 113.70 108.89 1x5e s SER 5 Ca 0.00 -1.28 -0.01 0.00 0.70 0.00 0.00 55.95 55.37 1x5e s SER 5 Cb 0.00 -0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 1x5e s SER 5 CO 0.00 -0.46 0.01 -0.44 1.20 0.00 0.00 173.24 173.55 1x5e s SER 6 N -3.76 0.51 -0.27 5.45 0.01 -1.26 -5.10 113.70 109.28 1x5e s SER 6 Ca 0.37 -1.11 -0.28 0.00 1.31 0.00 0.00 55.95 56.23 1x5e s SER 6 Cb 0.08 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 1x5e s SER 6 CO 0.19 -0.65 1.99 -0.83 0.41 0.00 0.00 173.24 174.36 1x5e s GLY 7 N -3.01 0.68 0.42 3.44 0.00 -1.26 -4.83 107.32 102.77 1x5e s GLY 7 Ca 0.17 0.53 0.26 0.00 0.00 0.00 0.00 44.72 45.68 1x5e s GLY 7 CO -0.03 3.51 1.66 3.45 0.00 0.00 0.00 173.10 181.70 1x5e h ASN 8 N 13.81 0.30 -3.36 1.64 7.08 -1.95 -3.37 115.58 129.72 1x5e h ASN 8 Ca -0.37 0.13 -0.56 0.00 -3.08 0.00 0.00 56.30 52.41 1x5e h ASN 8 Cb 1.20 0.10 -0.05 0.00 -2.08 0.00 0.00 38.32 37.49 1x5e h ASN 8 CO 1.00 -0.12 0.07 -0.69 -2.08 0.00 0.00 177.43 175.61 1x5e s VAL 9 N -5.36 5.04 -0.07 6.14 1.01 -1.26 -4.50 120.40 121.40 1x5e s VAL 9 Ca -0.08 1.42 -0.09 0.00 0.00 0.00 0.00 61.98 63.23 1x5e s VAL 9 Cb 0.29 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1x5e s VAL 9 CO 0.81 0.26 0.22 -0.13 0.00 0.00 0.00 175.10 176.27 1x5e s ARG 10 N 0.74 3.58 -0.55 2.72 1.81 0.63 -4.94 118.95 122.94 1x5e s ARG 10 Ca 0.37 0.01 -0.18 0.00 -1.72 0.00 0.00 55.73 54.20 1x5e s ARG 10 Cb -0.18 -3.18 0.09 0.00 -0.45 0.00 0.00 34.95 31.23 1x5e s ARG 10 CO 0.18 0.74 0.63 0.08 -0.68 0.00 0.00 175.30 176.25 1x5e s VAL 11 N -1.08 4.91 0.27 3.52 1.01 -1.26 -0.51 120.40 127.26 1x5e s VAL 11 Ca 0.19 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 1x5e s VAL 11 Cb -0.13 -4.39 -0.09 0.00 0.00 0.00 0.00 36.38 31.76 1x5e s VAL 11 CO 0.08 -0.97 0.93 -0.63 0.00 0.00 0.00 175.10 174.51 1x5e s ILE 12 N 2.46 4.15 0.31 2.22 -1.09 -1.15 -4.98 121.20 123.11 1x5e s ILE 12 Ca 0.11 1.94 0.01 0.00 -2.23 0.00 0.00 60.65 60.48 1x5e s ILE 12 Cb -0.24 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1x5e s ILE 12 CO 0.07 0.35 0.02 0.35 -1.23 0.00 0.00 174.94 174.50 1x5e n THR 13 N 1.10 0.00 0.82 2.92 -2.24 -1.26 -4.79 114.28 110.83 1x5e n THR 13 Ca -0.01 -1.52 0.08 0.00 -2.27 0.00 0.00 64.05 60.33 1x5e n THR 13 Cb 0.48 0.36 0.42 0.00 -2.10 0.00 0.00 70.33 69.49 1x5e n THR 13 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x5e n ASP 14 N -1.32 0.00 0.00 3.42 8.00 -1.26 -2.12 116.55 123.28 1x5e n ASP 14 Ca -0.11 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1x5e n ASP 14 Cb 0.40 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1x5e n ASP 14 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x5e n GLU 15 N -1.18 0.72 0.26 -1.24 1.02 -1.26 -4.68 120.64 114.28 1x5e n GLU 15 Ca 0.09 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 1x5e n GLU 15 Cb 0.10 -0.96 0.66 0.00 -0.02 0.00 0.00 31.44 31.21 1x5e n GLU 15 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1x5e h ASN 16 N 0.00 0.00 -0.94 1.62 -1.24 -1.92 -3.18 115.58 109.92 1x5e h ASN 16 Ca 0.00 0.00 0.27 0.00 0.71 0.00 0.00 56.30 57.28 1x5e h ASN 16 Cb 0.93 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.80 1x5e h ASN 16 CO 0.00 0.13 0.07 -2.67 -1.29 0.00 0.00 177.43 173.67 1x5e n TRP 17 N -3.42 0.65 -0.32 0.67 4.27 -0.90 0.02 117.44 118.41 1x5e n TRP 17 Ca -0.01 1.13 -0.02 0.00 -3.89 0.00 0.00 57.50 54.71 1x5e n TRP 17 Cb 0.31 -1.24 0.03 0.00 -1.36 0.00 0.00 31.31 29.05 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 -0.05 -1.38 -2.67 3.08 -1.87 0.66 114.38 112.14 1x5e h ARG 18 Ca 0.60 0.00 0.47 0.00 0.07 0.00 0.00 59.98 61.12 1x5e h ARG 18 Cb 1.28 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 31.20 1x5e h ARG 18 CO -0.87 -0.04 0.89 0.39 -1.07 0.00 0.00 179.97 179.27 1x5e n GLU 19 N -5.46 -0.03 -0.18 0.04 4.71 0.10 0.11 120.64 119.93 1x5e n GLU 19 Ca 0.08 1.23 -0.01 0.00 -0.01 0.00 0.00 57.16 58.45 1x5e n GLU 19 Cb 0.39 -2.43 0.09 0.00 -1.01 0.00 0.00 31.44 28.47 1x5e n GLU 19 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1x5e h LEU 20 N 0.00 0.15 -1.34 -4.62 3.38 0.22 0.11 115.31 113.22 1x5e h LEU 20 Ca 0.87 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.92 1x5e h LEU 20 Cb 2.83 0.07 0.00 0.00 0.09 0.00 0.00 40.66 43.65 1x5e h LEU 20 CO -0.44 0.10 0.53 -0.07 0.09 0.00 0.00 178.44 178.65 1x5e h LEU 21 N 0.35 0.00 -9.22 1.67 3.38 0.73 -3.38 115.31 108.84 1x5e h LEU 21 Ca 0.28 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.66 1x5e h LEU 21 Cb 0.35 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 1x5e h LEU 21 CO -0.30 0.00 -0.13 -1.61 0.09 0.00 0.00 178.44 176.49 1x5e s GLU 22 N -4.01 4.25 0.78 1.13 2.02 0.39 -3.15 118.70 120.11 1x5e s GLU 22 Ca -0.02 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1x5e s GLU 22 Cb 0.06 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1x5e s GLU 22 CO 0.18 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.89 1x5e n GLY 23 N 3.62 -0.60 3.79 -1.39 0.00 -1.26 -4.69 105.19 104.67 1x5e n GLY 23 Ca -0.07 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.04 6.50 -0.18 1.61 1.11 -1.26 -2.83 116.67 117.59 1x5e s ASP 24 Ca 0.00 1.99 -0.07 0.00 0.18 0.00 0.00 52.55 54.65 1x5e s ASP 24 Cb 0.00 -2.57 0.08 0.00 1.07 0.00 0.00 42.92 41.50 1x5e s ASP 24 CO 0.00 -0.67 0.38 0.26 1.18 0.00 0.00 175.17 176.33 1x5e s TRP 25 N -1.83 -0.67 -0.38 4.23 0.52 0.30 -3.64 118.94 117.46 1x5e s TRP 25 Ca 0.63 1.35 -0.16 0.00 0.02 0.00 0.00 56.10 57.94 1x5e s TRP 25 Cb -0.19 0.23 0.00 0.00 -1.15 0.00 0.00 33.47 32.36 1x5e s TRP 25 CO 0.23 -0.42 0.40 -1.64 0.02 0.00 0.00 176.95 175.55 1x5e s MET 26 N 2.25 3.33 0.15 4.98 -1.94 0.61 -0.20 119.30 128.49 1x5e s MET 26 Ca -0.03 -0.58 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 1x5e s MET 26 Cb -0.11 -3.88 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 1x5e s MET 26 CO -0.12 -0.69 0.12 0.42 -0.01 0.00 0.00 175.02 174.74 1x5e s ILE 27 N 2.08 4.45 -0.21 2.53 1.01 -0.62 -0.29 121.20 130.14 1x5e s ILE 27 Ca 0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 1x5e s ILE 27 Cb -0.17 -3.25 0.09 0.00 0.01 0.00 0.00 42.46 39.15 1x5e s ILE 27 CO 0.13 -0.07 0.19 -1.83 0.00 0.00 0.00 174.94 173.36 1x5e s GLU 28 N -2.98 0.18 -0.41 2.79 -1.05 -1.18 -2.11 118.70 113.94 1x5e s GLU 28 Ca 0.30 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.87 1x5e s GLU 28 Cb -0.10 -1.28 0.02 0.00 -0.44 0.00 0.00 34.13 32.33 1x5e s GLU 28 CO 0.23 -0.73 1.12 -0.06 0.95 0.00 0.00 175.26 176.76 1x5e s PHE 29 N 2.27 2.96 0.41 4.83 0.08 -0.73 -2.91 117.98 124.89 1x5e s PHE 29 Ca 0.06 0.93 0.07 0.00 0.12 0.00 0.00 56.93 58.11 1x5e s PHE 29 Cb -0.16 -4.10 -0.08 0.00 -0.57 0.00 0.00 43.02 38.11 1x5e s PHE 29 CO -0.16 -1.06 0.01 1.52 -0.10 0.00 0.00 175.22 175.43 1x5e s TYR 30 N 4.11 2.52 -0.06 0.36 -0.85 -1.20 -3.30 117.35 118.93 1x5e s TYR 30 Ca 0.47 -0.67 -0.05 0.00 -0.52 0.00 0.00 57.07 56.31 1x5e s TYR 30 Cb -0.09 -1.78 0.02 0.00 0.38 0.00 0.00 41.96 40.49 1x5e s TYR 30 CO 0.24 0.45 0.15 0.00 -1.52 0.00 0.00 175.55 174.87 1x5e s ALA 31 N -2.71 -0.35 0.16 9.51 0.00 -1.26 -3.43 121.76 123.68 1x5e s ALA 31 Ca 0.35 0.47 0.30 0.00 0.00 0.00 0.00 51.96 53.08 1x5e s ALA 31 Cb 0.10 -0.28 1.26 0.00 0.00 0.00 0.00 23.12 24.19 1x5e s ALA 31 CO 0.18 -0.09 1.95 -1.00 0.00 0.00 0.00 175.76 176.81 1x5e h PRO 32 N 6.17 0.00 -0.74 0.00 0.13 -2.00 -2.74 132.00 132.82 1x5e h PRO 32 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.57 1x5e h PRO 32 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 1x5e h PRO 32 CO 0.42 0.09 0.32 -2.67 -0.23 0.00 0.00 178.00 175.92 1x5e n TRP 33 N -3.25 2.41 -4.20 1.56 4.27 -1.26 -4.90 117.44 112.08 1x5e n TRP 33 Ca 0.00 -1.37 -0.22 0.00 -3.89 0.00 0.00 57.50 52.01 1x5e n TRP 33 Cb 0.33 -0.71 -0.17 0.00 -1.36 0.00 0.00 31.31 29.40 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 7.38 -0.06 -0.90 0.00 0.13 -1.90 -3.05 132.00 133.59 1x5e h PRO 35 Ca -0.33 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.03 1x5e h PRO 35 Cb 1.16 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1x5e h PRO 35 CO 0.44 0.40 0.40 0.00 -0.23 0.00 0.00 178.00 179.01 1x5e h ALA 36 N 0.35 1.45 -0.43 -0.56 0.00 -1.95 0.94 119.26 119.06 1x5e h ALA 36 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1x5e h ALA 36 Cb 0.49 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1x5e h ALA 36 CO 0.01 -0.35 0.18 0.00 0.00 0.00 0.00 179.25 179.09 1x5e h GLN 38 N 0.55 0.35 -0.01 0.00 4.20 -0.71 0.30 115.11 119.78 1x5e h GLN 38 Ca 0.14 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1x5e h GLN 38 Cb 0.17 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1x5e h GLN 38 CO -0.01 0.23 -0.44 -0.91 -0.67 0.00 0.00 178.83 177.03 1x5e h ASN 39 N 0.36 0.02 0.66 1.46 4.21 -1.03 -2.99 115.58 118.27 1x5e h ASN 39 Ca 0.41 -0.01 -0.27 0.00 1.21 0.00 0.00 56.30 57.64 1x5e h ASN 39 Cb 1.04 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 38.23 1x5e h ASN 39 CO -0.13 0.45 -1.26 0.25 -1.29 0.00 0.00 177.43 175.45 1x5e h LEU 40 N 0.02 0.34 -0.67 1.61 5.85 -0.41 -3.32 115.31 118.73 1x5e h LEU 40 Ca -0.00 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1x5e h LEU 40 Cb 0.78 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.60 1x5e h LEU 40 CO 0.06 1.31 -0.32 0.00 -0.34 0.00 0.00 178.44 179.15 1x5e n GLN 41 N -3.48 -0.22 -0.06 1.25 1.13 -0.27 0.03 117.38 115.76 1x5e n GLN 41 Ca -0.09 1.02 -0.13 0.00 -1.94 0.00 0.00 57.00 55.86 1x5e n GLN 41 Cb 1.02 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.79 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 0.38 -0.96 -1.09 0.13 -1.72 -3.10 132.00 125.64 1x5e h PRO 42 Ca 0.18 -0.20 0.19 0.00 -0.87 0.00 0.00 66.00 65.30 1x5e h PRO 42 Cb 0.34 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.39 1x5e h PRO 42 CO -0.65 0.75 0.61 0.93 -0.23 0.00 0.00 178.00 179.41 1x5e h GLU 43 N 0.01 0.60 0.32 0.86 3.07 -0.50 -1.72 114.58 117.22 1x5e h GLU 43 Ca 0.03 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1x5e h GLU 43 Cb 0.68 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1x5e h GLU 43 CO 0.04 0.40 -0.15 2.35 -1.40 0.00 0.00 179.01 180.24 1x5e h TRP 44 N 0.62 -0.40 -0.75 4.33 -0.00 -0.42 -2.55 115.95 116.78 1x5e h TRP 44 Ca 0.52 -0.01 0.16 0.00 -0.00 0.00 0.00 58.89 59.56 1x5e h TRP 44 Cb 0.99 0.13 -0.11 0.00 -0.00 0.00 0.00 29.16 30.18 1x5e h TRP 44 CO -0.00 -0.10 0.21 0.93 -0.00 0.00 0.00 178.44 179.48 1x5e h GLU 45 N -0.68 0.30 0.00 2.65 5.08 -1.27 0.69 114.58 121.35 1x5e h GLU 45 Ca -0.04 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1x5e h GLU 45 Cb 0.48 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1x5e h GLU 45 CO 0.07 0.20 -0.05 0.77 -1.00 0.00 0.00 179.01 179.00 1x5e h SER 46 N 0.31 0.00 0.00 1.42 0.02 -1.31 -2.92 113.55 111.06 1x5e h SER 46 Ca 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1x5e h SER 46 Cb 0.72 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1x5e h SER 46 CO -0.49 0.05 -0.18 0.15 -1.14 0.00 0.00 176.83 175.22 1x5e h PHE 47 N 0.00 0.00 -1.04 3.45 3.57 0.71 -3.34 116.94 120.30 1x5e h PHE 47 Ca -0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 1x5e h PHE 47 Cb 0.29 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1x5e h PHE 47 CO 0.00 0.13 0.95 0.00 -2.23 0.00 0.00 178.31 177.16 1x5e h ALA 48 N -0.91 2.91 0.08 2.41 0.00 -0.91 -0.10 119.26 122.73 1x5e h ALA 48 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1x5e h ALA 48 Cb 0.26 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1x5e h ALA 48 CO -0.01 -1.48 -0.47 0.93 0.00 0.00 0.00 179.25 178.22 1x5e h GLU 49 N 0.00 -0.63 -0.00 0.00 4.39 -1.63 -2.33 114.58 114.38 1x5e h GLU 49 Ca 0.49 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.24 1x5e h GLU 49 Cb 2.39 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 31.18 1x5e h GLU 49 CO -0.01 -0.42 -0.33 -2.67 -1.16 0.00 0.00 179.01 174.42 1x5e n TRP 50 N -5.12 0.00 0.00 4.33 4.27 -0.47 -4.45 117.44 116.01 1x5e n TRP 50 Ca -0.07 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 1x5e n TRP 50 Cb 0.36 -0.23 0.00 0.00 -1.36 0.00 0.00 31.31 30.09 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 1.42 -2.97 0.46 -1.67 0.00 -0.18 -1.33 105.19 100.92 1x5e n GLY 51 Ca 0.09 0.37 0.29 0.00 0.00 0.00 0.00 46.02 46.78 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 0.22 -0.95 1.61 4.11 -1.51 0.52 114.58 118.58 1x5e h GLU 52 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1x5e h GLU 52 Cb 0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1x5e h GLU 52 CO 0.00 0.14 0.61 -0.44 0.07 0.00 0.00 179.01 179.39 1x5e h ASP 53 N 0.23 1.10 -0.15 3.06 3.32 -1.48 -0.88 116.42 121.62 1x5e h ASP 53 Ca 0.64 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.64 1x5e h ASP 53 Cb 1.97 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 1x5e h ASP 53 CO -0.25 0.82 0.01 0.18 -1.72 0.00 0.00 179.24 178.28 1x5e n LEU 54 N -4.38 2.32 -3.39 1.55 4.77 0.18 -4.86 117.00 113.20 1x5e n LEU 54 Ca 0.11 -1.17 -0.17 0.00 -0.03 0.00 0.00 56.01 54.74 1x5e n LEU 54 Cb 0.03 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1x5e n LEU 54 CO 0.37 0.37 0.05 -0.62 -1.33 0.00 0.00 177.39 176.23 1x5e n GLU 55 N 0.15 -4.26 -3.68 3.23 1.02 -0.34 -4.94 120.64 111.83 1x5e n GLU 55 Ca 0.08 0.82 -0.09 0.00 -0.02 0.00 0.00 57.16 57.94 1x5e n GLU 55 Cb 0.51 -5.70 -0.10 0.00 -0.02 0.00 0.00 31.44 26.13 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 -3.41 -0.22 0.36 2.62 0.11 -1.15 -4.91 120.40 113.80 1x5e s VAL 56 Ca 0.23 0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.17 1x5e s VAL 56 Cb -0.04 -0.67 -0.10 0.00 -1.53 0.00 0.00 36.38 34.05 1x5e s VAL 56 CO 0.75 0.04 0.88 0.20 -3.33 0.00 0.00 175.10 173.65 1x5e s ASN 57 N 1.80 7.02 -0.04 3.54 0.01 -1.24 -2.24 114.94 123.79 1x5e s ASN 57 Ca -0.07 1.62 0.03 0.00 -0.71 0.00 0.00 52.86 53.73 1x5e s ASN 57 Cb -0.09 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1x5e s ASN 57 CO -0.13 -0.21 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.49 1x5e s ILE 58 N -1.93 1.10 0.14 0.60 1.09 -1.26 -0.28 121.20 120.65 1x5e s ILE 58 Ca 0.55 -0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 59.56 1x5e s ILE 58 Cb -0.12 -0.97 -0.03 0.00 -1.06 0.00 0.00 42.46 40.28 1x5e s ILE 58 CO 0.17 0.33 0.14 0.00 -0.10 0.00 0.00 174.94 175.49 1x5e s ALA 59 N 0.29 0.52 0.06 9.38 0.00 0.60 -0.27 121.76 132.36 1x5e s ALA 59 Ca -0.07 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1x5e s ALA 59 Cb -0.12 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 1x5e s ALA 59 CO 0.02 -0.55 -0.14 -1.59 0.00 0.00 0.00 175.76 173.50 1x5e s LYS 60 N -4.02 0.85 0.12 0.00 -2.85 0.33 -3.13 119.74 111.04 1x5e s LYS 60 Ca 0.21 -0.91 0.08 0.00 -1.00 0.00 0.00 55.97 54.35 1x5e s LYS 60 Cb 0.06 -0.86 -0.04 0.00 -2.06 0.00 0.00 37.83 34.93 1x5e s LYS 60 CO 0.01 0.20 -0.20 0.08 0.10 0.00 0.00 175.35 175.54 1x5e s VAL 61 N -1.17 1.73 -0.18 1.79 1.01 -1.14 -2.94 120.40 119.49 1x5e s VAL 61 Ca -0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 1x5e s VAL 61 Cb -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1x5e s VAL 61 CO 0.02 -0.15 -0.12 -0.62 0.00 0.00 0.00 175.10 174.22 1x5e s ASP 62 N -2.17 3.79 -0.09 3.32 2.15 -1.26 -3.25 116.67 119.16 1x5e s ASP 62 Ca 0.09 -0.47 0.01 0.00 0.43 0.00 0.00 52.55 52.62 1x5e s ASP 62 Cb -0.08 -1.61 0.16 0.00 -0.30 0.00 0.00 42.92 41.08 1x5e s ASP 62 CO 0.05 0.03 1.10 1.33 -0.17 0.00 0.00 175.17 177.51 1x5e n VAL 63 N 4.41 1.27 0.00 1.11 0.24 -1.22 -2.01 118.33 122.14 1x5e n VAL 63 Ca -0.19 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1x5e n VAL 63 Cb 0.51 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.14 0.00 0.06 3.34 -2.24 -1.26 -4.83 114.28 109.49 1x5e n THR 64 Ca 0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1x5e n THR 64 Cb 0.69 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.34 0.61 -3.73 -0.78 1.02 -1.23 -4.79 120.64 110.41 1x5e n GLU 65 Ca 0.00 -0.14 -0.36 0.00 -0.02 0.00 0.00 57.16 56.64 1x5e n GLU 65 Cb 0.21 -1.38 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.08 2.57 0.18 3.49 -1.52 -0.85 -4.92 119.66 115.52 1x5e s GLN 66 Ca -0.05 -2.57 -0.06 0.00 -1.95 0.00 0.00 55.36 50.73 1x5e s GLN 66 Cb 0.11 -3.72 0.08 0.00 -0.22 0.00 0.00 33.01 29.26 1x5e s GLN 66 CO 0.68 -1.17 1.53 -1.00 -0.25 0.00 0.00 175.29 175.07 1x5e h PRO 67 N 6.95 0.75 0.42 2.91 0.13 -1.86 -3.12 132.00 138.18 1x5e h PRO 67 Ca -0.01 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1x5e h PRO 67 Cb 0.94 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1x5e h PRO 67 CO 0.71 1.02 -0.20 0.78 -0.23 0.00 0.00 178.00 180.08 1x5e h GLY 68 N 0.92 -0.59 -0.41 1.56 0.00 -1.97 -3.22 103.07 99.36 1x5e h GLY 68 Ca 0.05 0.22 0.23 0.00 0.00 0.00 0.00 47.33 47.83 1x5e h GLY 68 CO 0.09 -0.22 0.26 1.41 0.00 0.00 0.00 176.54 178.08 1x5e h LEU 69 N -0.95 0.05 -0.88 3.11 3.38 -1.91 0.66 115.31 118.77 1x5e h LEU 69 Ca -0.06 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.29 1x5e h LEU 69 Cb 0.56 0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.39 1x5e h LEU 69 CO 0.10 -0.14 -0.18 -1.28 0.09 0.00 0.00 178.44 177.03 1x5e h SER 70 N 0.23 -0.76 0.10 -0.43 0.87 -1.54 -0.25 113.55 111.78 1x5e h SER 70 Ca 0.55 0.26 -0.27 0.00 -1.23 0.00 0.00 61.79 61.11 1x5e h SER 70 Cb 1.11 0.53 0.03 0.00 -0.44 0.00 0.00 62.40 63.63 1x5e h SER 70 CO -0.64 -0.29 -1.11 1.23 -0.53 0.00 0.00 176.83 175.49 1x5e h GLY 71 N 0.01 0.64 -0.38 5.77 0.00 -1.01 -1.00 103.07 107.10 1x5e h GLY 71 Ca 0.44 -1.33 0.18 0.00 0.00 0.00 0.00 47.33 46.63 1x5e h GLY 71 CO -0.89 1.17 1.01 3.21 0.00 0.00 0.00 176.54 181.04 1x5e h ARG 72 N 0.16 0.00 0.00 4.80 3.08 -0.02 0.99 114.38 123.39 1x5e h ARG 72 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1x5e h ARG 72 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1x5e h ARG 72 CO 0.21 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.30 1x5e n PHE 73 N -3.09 0.00 -3.80 3.04 3.01 -1.03 -4.97 117.46 110.62 1x5e n PHE 73 Ca 0.14 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.32 1x5e n PHE 73 Cb 1.21 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.70 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 -0.38 -4.51 -2.18 4.37 -0.00 0.34 -4.86 119.36 112.13 1x5e n ILE 74 Ca 0.00 -0.72 -0.42 0.00 -0.00 0.00 0.00 62.75 61.61 1x5e n ILE 74 Cb 0.03 -3.56 -0.03 0.00 -0.00 0.00 0.00 39.64 36.09 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 -3.69 3.79 -0.18 1.39 -1.09 -0.94 -4.88 121.20 115.59 1x5e s ILE 75 Ca 0.23 1.05 -0.02 0.00 -2.23 0.00 0.00 60.65 59.68 1x5e s ILE 75 Cb -0.08 -3.67 -0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1x5e s ILE 75 CO 0.87 -0.06 -0.18 0.59 -1.23 0.00 0.00 174.94 174.93 1x5e n ASN 76 N 6.34 2.26 -4.49 3.58 4.13 -1.26 -5.01 115.26 120.82 1x5e n ASN 76 Ca 0.15 -0.01 -0.25 0.00 1.68 0.00 0.00 54.58 56.15 1x5e n ASN 76 Cb 0.44 -0.36 -0.10 0.00 -1.54 0.00 0.00 39.78 38.21 1x5e n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x5e s ALA 77 N -2.36 2.77 0.02 5.41 0.00 -1.26 -5.15 121.76 121.18 1x5e s ALA 77 Ca -0.25 -1.73 -0.07 0.00 0.00 0.00 0.00 51.96 49.91 1x5e s ALA 77 Cb 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1x5e s ALA 77 CO 0.40 0.35 0.13 -0.51 0.00 0.00 0.00 175.76 176.12 1x5e s LEU 78 N -3.20 1.63 1.03 0.00 1.43 -1.26 -4.30 118.68 114.00 1x5e s LEU 78 Ca 0.27 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1x5e s LEU 78 Cb -0.07 0.67 0.20 0.00 0.03 0.00 0.00 46.19 47.03 1x5e s LEU 78 CO 0.14 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.22 1x5e s PRO 79 N -1.94 0.19 -0.29 1.29 0.04 -1.26 -4.91 135.00 128.12 1x5e s PRO 79 Ca -0.10 0.44 -0.07 0.00 0.04 0.00 0.00 61.00 61.30 1x5e s PRO 79 Cb -0.05 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.92 1x5e s PRO 79 CO -0.01 -2.88 0.60 0.99 0.04 0.00 0.00 177.00 175.74 1x5e s THR 80 N -2.97 -0.94 0.04 1.26 2.01 -1.21 -5.02 115.64 108.81 1x5e s THR 80 Ca 0.66 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 1x5e s THR 80 Cb -0.18 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1x5e s THR 80 CO 0.58 0.00 0.25 -0.63 -0.69 0.00 0.00 174.62 174.13 1x5e s ILE 81 N 2.84 5.34 -0.03 1.82 1.01 -1.26 -1.77 121.20 129.15 1x5e s ILE 81 Ca 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1x5e s ILE 81 Cb -0.13 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1x5e s ILE 81 CO -0.19 0.23 0.03 -0.31 0.00 0.00 0.00 174.94 174.70 1x5e s TYR 82 N -1.43 0.14 -0.54 3.97 2.02 -0.90 -2.27 117.35 118.35 1x5e s TYR 82 Ca 0.32 0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.97 1x5e s TYR 82 Cb -0.13 -0.40 0.08 0.00 -0.40 0.00 0.00 41.96 41.11 1x5e s TYR 82 CO 0.22 -0.15 0.62 -1.58 -1.57 0.00 0.00 175.55 173.08 1x5e s HIS 83 N 1.52 3.07 -0.23 2.71 5.65 -1.10 -1.59 115.29 125.32 1x5e s HIS 83 Ca -0.03 -0.79 -0.22 0.00 0.25 0.00 0.00 55.06 54.27 1x5e s HIS 83 Cb -0.13 -3.68 -0.02 0.00 -1.18 0.00 0.00 32.58 27.58 1x5e s HIS 83 CO -0.03 -1.10 0.71 0.00 -0.65 0.00 0.00 174.74 173.67 1x5e s LYS 85 N 2.47 1.60 -0.60 0.00 2.20 -0.37 0.11 119.74 125.15 1x5e s LYS 85 Ca 0.30 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1x5e s LYS 85 Cb -0.16 -2.26 0.04 0.00 -1.51 0.00 0.00 37.83 33.95 1x5e s LYS 85 CO 0.09 -0.48 0.14 -0.25 -0.36 0.00 0.00 175.35 174.49 1x5e n ASP 86 N 4.78 -1.99 0.00 1.43 9.92 -1.13 0.93 116.55 130.50 1x5e n ASP 86 Ca -0.13 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 1x5e n ASP 86 Cb 0.47 -1.77 0.00 0.00 -0.64 0.00 0.00 41.12 39.17 1x5e n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x5e n GLY 87 N -0.71 3.09 3.50 0.44 0.00 -1.19 -4.94 105.19 105.38 1x5e n GLY 87 Ca -0.01 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.23 -3.66 1.61 1.02 0.26 -4.86 120.64 113.78 1x5e n GLU 88 Ca 0.00 -0.32 -0.15 0.00 -0.02 0.00 0.00 57.16 56.68 1x5e n GLU 88 Cb 0.00 -2.11 -0.14 0.00 -0.02 0.00 0.00 31.44 29.17 1x5e n GLU 88 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x5e s PHE 89 N -2.46 -0.35 -0.29 -0.32 0.08 -1.26 -1.24 117.98 112.15 1x5e s PHE 89 Ca 0.64 0.84 -0.00 0.00 0.12 0.00 0.00 56.93 58.53 1x5e s PHE 89 Cb -0.22 -0.11 0.09 0.00 -0.57 0.00 0.00 43.02 42.21 1x5e s PHE 89 CO 0.63 -0.34 0.06 1.03 -0.10 0.00 0.00 175.22 176.50 1x5e s ARG 90 N 2.38 0.96 0.23 0.44 0.52 -0.89 -1.26 118.95 121.33 1x5e s ARG 90 Ca 0.02 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 1x5e s ARG 90 Cb -0.12 -2.28 -0.15 0.00 0.52 0.00 0.00 34.95 32.92 1x5e s ARG 90 CO -0.08 -0.88 0.88 -2.13 0.02 0.00 0.00 175.30 173.11 1x5e n ARG 91 N 4.75 0.85 0.23 3.54 0.63 -1.26 -2.72 116.66 122.68 1x5e n ARG 91 Ca -0.03 0.30 -0.17 0.00 -0.92 0.00 0.00 57.85 57.02 1x5e n ARG 91 Cb 0.43 -1.57 -0.09 0.00 0.45 0.00 0.00 32.46 31.68 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 1.92 -1.31 -5.08 -0.14 3.20 -1.82 -3.46 116.97 110.28 1x5e h TYR 92 Ca -0.37 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.22 1x5e h TYR 92 Cb 1.38 0.52 0.13 0.00 1.54 0.00 0.00 36.73 40.30 1x5e h TYR 92 CO 0.47 -0.61 -0.62 1.04 -1.64 0.00 0.00 178.16 176.80 1x5e n GLN 93 N -5.52 -5.97 -4.24 1.82 6.02 -1.26 -5.01 117.38 103.22 1x5e n GLN 93 Ca -0.10 0.71 -0.19 0.00 -0.01 0.00 0.00 57.00 57.41 1x5e n GLN 93 Cb 0.43 -5.34 -0.07 0.00 1.02 0.00 0.00 30.24 26.28 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 -3.85 2.19 0.00 1.08 0.00 -1.26 -5.01 107.32 100.46 1x5e s GLY 94 Ca 0.17 -1.97 0.10 0.00 0.00 0.00 0.00 44.72 43.02 1x5e s GLY 94 CO 0.61 -1.36 1.02 -1.55 0.00 0.00 0.00 173.10 171.82 1x5e n PRO 95 N -0.63 0.49 -4.08 2.90 -0.04 -1.26 -4.84 135.00 127.53 1x5e n PRO 95 Ca 0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 1x5e n PRO 95 Cb 0.62 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 1x5e n PRO 95 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1x5e n ARG 96 N -0.81 -3.06 -4.35 0.54 1.85 -1.26 -4.95 116.66 104.62 1x5e n ARG 96 Ca 0.07 0.37 -0.33 0.00 -1.00 0.00 0.00 57.85 56.96 1x5e n ARG 96 Cb 0.03 -4.64 -0.09 0.00 -1.05 0.00 0.00 32.46 26.71 1x5e n ARG 96 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x5e s THR 97 N -3.77 4.13 0.07 8.89 -4.23 -1.26 -4.93 115.64 114.54 1x5e s THR 97 Ca 0.26 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 60.14 1x5e s THR 97 Cb -0.14 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1x5e s THR 97 CO 0.91 0.46 1.06 1.17 -0.54 0.00 0.00 174.62 177.69 1x5e n LYS 98 N 1.69 -0.19 -0.03 3.99 4.81 -1.26 -0.94 118.16 126.22 1x5e n LYS 98 Ca -0.16 1.05 -0.09 0.00 -0.87 0.00 0.00 58.31 58.24 1x5e n LYS 98 Cb 0.53 -1.56 -0.06 0.00 0.02 0.00 0.00 35.03 33.96 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 -0.32 -0.95 1.64 3.64 -1.97 -2.39 116.57 116.22 1x5e h LYS 99 Ca 0.07 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1x5e h LYS 99 Cb 0.17 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 31.95 1x5e h LYS 99 CO -0.40 -0.21 -0.55 -0.25 -2.27 0.00 0.00 179.45 175.77 1x5e n ASP 100 N -4.37 -0.98 -0.20 4.20 9.92 -0.43 -1.25 116.55 123.44 1x5e n ASP 100 Ca -0.03 1.69 -0.05 0.00 -0.53 0.00 0.00 54.79 55.86 1x5e n ASP 100 Cb 0.23 -0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 40.44 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 -5.20 -0.21 -0.14 1.24 3.72 -0.12 -1.05 117.46 115.71 1x5e n PHE 101 Ca 0.02 0.59 -0.04 0.00 -0.05 0.00 0.00 57.45 57.97 1x5e n PHE 101 Cb 0.25 -0.51 -0.03 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 -4.06 -0.23 -0.25 4.37 -0.00 -0.38 0.88 119.36 119.69 1x5e n ILE 102 Ca 0.01 1.42 0.04 0.00 -0.00 0.00 0.00 62.75 64.22 1x5e n ILE 102 Cb 0.12 -1.81 0.17 0.00 -0.00 0.00 0.00 39.64 38.13 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 0.24 0.00 4.38 2.35 -1.14 0.56 115.58 121.97 1x5e h ASN 103 Ca 0.05 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1x5e h ASN 103 Cb 0.14 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1x5e h ASN 103 CO -0.31 0.09 0.16 0.15 -1.65 0.00 0.00 177.43 175.87 1x5e h PHE 104 N 0.42 0.00 0.00 1.19 3.57 0.22 1.08 116.94 123.41 1x5e h PHE 104 Ca 0.40 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.51 1x5e h PHE 104 Cb 0.59 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1x5e h PHE 104 CO -0.18 0.00 -2.30 -0.89 -2.23 0.00 0.00 178.31 172.72 1x5e n ILE 105 N -2.61 1.27 -0.03 1.41 2.08 0.16 -3.39 119.36 118.25 1x5e n ILE 105 Ca -0.02 -0.34 -0.14 0.00 0.56 0.00 0.00 62.75 62.81 1x5e n ILE 105 Cb 0.20 -1.76 -0.11 0.00 -0.75 0.00 0.00 39.64 37.23 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 -0.74 0.08 0.00 4.38 4.64 -0.12 -3.10 113.55 118.69 1x5e h SER 106 Ca -0.58 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.06 1x5e h SER 106 Cb 1.54 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1x5e h SER 106 CO -0.33 0.75 0.00 0.47 -0.87 0.00 0.00 176.83 176.85 1x5e n ASP 107 N -4.69 0.13 -3.85 4.97 8.00 0.37 -4.86 116.55 116.62 1x5e n ASP 107 Ca -0.09 -1.88 -0.29 0.00 0.71 0.00 0.00 54.79 53.24 1x5e n ASP 107 Cb 0.37 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.42 -0.85 -0.14 -1.24 4.76 -1.17 -4.70 118.16 114.40 1x5e n LYS 108 Ca 0.00 0.09 0.27 0.00 -2.87 0.00 0.00 58.31 55.80 1x5e n LYS 108 Cb 0.03 -3.26 0.72 0.00 -1.84 0.00 0.00 35.03 30.68 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 -0.84 0.00 -0.13 1.97 5.08 -1.68 0.33 114.58 119.30 1x5e h GLU 109 Ca -0.48 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1x5e h GLU 109 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1x5e h GLU 109 CO 0.63 0.00 0.12 0.11 -1.00 0.00 0.00 179.01 178.87 1x5e h TRP 110 N 0.00 0.00 0.00 4.33 5.08 -1.84 -0.05 115.95 123.47 1x5e h TRP 110 Ca 0.39 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.36 1x5e h TRP 110 Cb 1.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.72 1x5e h TRP 110 CO 0.00 0.00 0.03 0.87 -1.28 0.00 0.00 178.44 178.06 1x5e h LYS 111 N 0.00 0.00 -0.30 0.12 1.79 -0.67 0.89 116.57 118.40 1x5e h LYS 111 Ca 0.06 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 1x5e h LYS 111 Cb 0.31 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1x5e h LYS 111 CO -0.00 0.00 0.00 0.45 -1.08 0.00 0.00 179.45 178.82 1x5e n SER 112 N -2.94 3.52 -4.32 0.86 2.88 -0.03 -4.97 113.62 108.62 1x5e n SER 112 Ca -0.03 -3.21 -0.32 0.00 -1.33 0.00 0.00 58.87 53.98 1x5e n SER 112 Cb 0.10 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 62.83 1x5e n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1x5e s ILE 113 N -2.94 2.34 -0.06 2.46 1.01 0.30 -5.10 121.20 119.21 1x5e s ILE 113 Ca 0.43 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1x5e s ILE 113 Cb 0.36 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1x5e s ILE 113 CO 0.07 0.57 1.33 -1.61 0.00 0.00 0.00 174.94 175.29 1x5e s GLU 114 N -0.20 4.28 1.10 2.79 2.02 -1.26 -4.95 118.70 122.48 1x5e s GLU 114 Ca -0.02 1.82 -0.16 0.00 0.02 0.00 0.00 54.97 56.64 1x5e s GLU 114 Cb -0.13 -3.65 0.24 0.00 0.10 0.00 0.00 34.13 30.68 1x5e s GLU 114 CO 0.03 -0.59 1.10 -1.25 0.02 0.00 0.00 175.26 174.57 1x5e s PRO 115 N 2.76 -0.42 0.34 0.39 0.04 -1.26 -4.49 135.00 132.36 1x5e s PRO 115 Ca 0.60 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.91 1x5e s PRO 115 Cb -0.27 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1x5e s PRO 115 CO 0.22 -3.24 0.49 0.14 0.04 0.00 0.00 177.00 174.66 1x5e s VAL 116 N -2.98 4.32 0.66 -0.36 -7.23 -0.39 -4.98 120.40 109.45 1x5e s VAL 116 Ca 0.68 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.79 1x5e s VAL 116 Cb -0.14 -3.52 -0.13 0.00 0.56 0.00 0.00 36.38 33.14 1x5e s VAL 116 CO 0.57 -0.24 -0.21 -1.20 -0.31 0.00 0.00 175.10 173.71 1x5e n SER 117 N -1.68 -3.92 -4.14 4.85 7.64 -1.26 -4.80 113.62 110.31 1x5e n SER 117 Ca -0.02 0.52 -0.36 0.00 1.01 0.00 0.00 58.87 60.02 1x5e n SER 117 Cb 0.58 -0.88 0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 2.37 -4.66 -4.35 6.43 2.88 -1.26 -4.89 113.62 110.13 1x5e n SER 118 Ca 0.06 0.35 -0.45 0.00 -1.33 0.00 0.00 58.87 57.49 1x5e n SER 118 Cb 0.50 -0.87 -0.07 0.00 -0.75 0.00 0.00 64.21 63.02 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 -2.03 3.25 -0.66 0.66 -0.11 -1.26 -4.98 118.94 113.81 1x5e s TRP 119 Ca 0.48 -1.09 0.05 0.00 1.22 0.00 0.00 56.10 56.77 1x5e s TRP 119 Cb -0.27 -3.39 0.19 0.00 -1.50 0.00 0.00 33.47 28.50 1x5e s TRP 119 CO 0.75 -0.88 0.54 0.34 -4.62 0.00 0.00 176.95 173.08 1x5e n PHE 120 N 5.21 2.85 -4.07 5.86 -0.00 -1.26 -5.05 117.46 121.00 1x5e n PHE 120 Ca -0.13 -4.16 -0.25 0.00 -0.00 0.00 0.00 57.45 52.91 1x5e n PHE 120 Cb 0.42 -0.52 -0.17 0.00 -0.00 0.00 0.00 39.48 39.21 1x5e n PHE 120 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1x5e s SER 121 N -1.56 1.81 0.00 -2.13 0.01 -1.26 -5.02 113.70 105.56 1x5e s SER 121 Ca 0.29 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1x5e s SER 121 Cb 0.02 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1x5e s SER 121 CO -0.13 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1x5e n GLY 122 N 4.60 -1.50 3.77 3.44 0.00 -1.26 -5.11 105.19 109.13 1x5e n GLY 122 Ca -0.16 0.70 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 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 0.54 3.79 -0.04 1.61 0.04 -1.26 -4.98 135.00 134.70 1x5e s PRO 123 Ca 0.00 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 1x5e s PRO 123 Cb 0.00 -2.43 -0.21 0.00 0.04 0.00 0.00 34.50 31.90 1x5e s PRO 123 CO 0.00 -0.53 1.18 1.03 0.04 0.00 0.00 177.00 178.72 1x5e h SER 124 N 2.11 -0.01 -4.03 6.66 0.87 -2.03 -3.45 113.55 113.67 1x5e h SER 124 Ca -0.49 -0.55 -0.48 0.00 -1.23 0.00 0.00 61.79 59.04 1x5e h SER 124 Cb 1.25 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 63.36 1x5e h SER 124 CO 0.60 0.55 0.24 -0.44 -0.53 0.00 0.00 176.83 177.25 1x5e s SER 125 N -5.75 3.28 0.00 6.23 0.01 -1.26 -5.26 113.70 110.95 1x5e s SER 125 Ca -0.16 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1x5e s SER 125 Cb 0.01 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1x5e s SER 125 CO 0.67 -2.75 0.00 0.61 0.41 0.00 0.00 173.24 172.18