#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3a s PHE 2 N 0.00 -0.09 -0.06 1.24 -0.12 -1.26 -5.15 117.98 112.54 1c3a s PHE 2 Ca 0.00 -0.43 0.02 0.00 -0.05 0.00 0.00 56.93 56.47 1c3a s PHE 2 Cb 0.00 0.73 0.02 0.00 -0.63 0.00 0.00 43.02 43.13 1c3a s PHE 2 CO 0.00 -1.32 -0.10 -0.51 -0.05 0.00 0.00 175.22 173.24 1c3a s ASP 3 N -2.96 1.61 0.21 1.98 -0.00 -1.26 -5.13 116.67 111.11 1c3a s ASP 3 Ca 0.13 -0.26 -0.13 0.00 -0.00 0.00 0.00 52.55 52.29 1c3a s ASP 3 Cb -0.06 -0.74 -0.07 0.00 -0.00 0.00 0.00 42.92 42.05 1c3a s ASP 3 CO 0.08 0.00 0.59 0.00 -0.00 0.00 0.00 175.17 175.85 1c3a n ILE 5 N 0.28 2.16 -1.65 0.00 5.41 -1.26 -4.79 119.36 119.50 1c3a n ILE 5 Ca -0.02 -0.50 -0.48 0.00 1.00 0.00 0.00 62.75 62.76 1c3a n ILE 5 Cb 0.52 -1.13 -0.05 0.00 -0.71 0.00 0.00 39.64 38.28 1c3a n ILE 5 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1c3a n PRO 6 N 0.47 1.91 0.00 0.38 -0.04 -1.26 -1.53 135.00 134.93 1c3a n PRO 6 Ca 0.09 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1c3a n PRO 6 Cb 0.36 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1c3a n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c3a n GLY 7 N 3.25 3.07 3.65 0.55 0.00 -1.26 -5.05 105.19 109.40 1c3a n GLY 7 Ca 0.18 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1c3a n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1c3a s TRP 8 N -0.31 3.35 0.87 1.61 0.52 -0.58 -4.84 118.94 119.55 1c3a s TRP 8 Ca 0.00 1.07 -0.13 0.00 0.02 0.00 0.00 56.10 57.06 1c3a s TRP 8 Cb 0.00 -2.95 0.12 0.00 -1.15 0.00 0.00 33.47 29.49 1c3a s TRP 8 CO 0.00 -0.29 1.19 -1.12 0.02 0.00 0.00 176.95 176.75 1c3a s SER 9 N 1.28 3.94 0.05 2.95 0.01 0.10 -4.61 113.70 117.42 1c3a s SER 9 Ca 0.33 0.75 0.03 0.00 1.31 0.00 0.00 55.95 58.37 1c3a s SER 9 Cb -0.16 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 1c3a s SER 9 CO 0.10 -2.26 -0.09 0.00 0.41 0.00 0.00 173.24 171.40 1c3a s ALA 10 N -3.53 0.70 -0.19 1.44 0.00 -1.26 -0.28 121.76 118.64 1c3a s ALA 10 Ca 0.64 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 51.57 1c3a s ALA 10 Cb -0.11 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.08 1c3a s ALA 10 CO 0.51 0.02 0.59 -0.47 0.00 0.00 0.00 175.76 176.41 1c3a s TYR 11 N -1.35 -0.63 0.00 0.00 5.04 -1.00 -4.98 117.35 114.44 1c3a s TYR 11 Ca -0.08 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1c3a s TYR 11 Cb -0.10 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1c3a s TYR 11 CO 0.01 -0.36 0.00 -3.47 -1.34 0.00 0.00 175.55 170.39 1c3a n ASP 12 N 2.43 0.00 -1.50 4.32 2.03 -1.26 -1.08 116.55 121.49 1c3a n ASP 12 Ca -0.15 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.24 1c3a n ASP 12 Cb 0.56 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.30 1c3a n ASP 12 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1c3a n ARG 13 N 14.00 3.98 -4.75 -0.67 1.85 -1.26 -4.98 116.66 124.83 1c3a n ARG 13 Ca 0.00 -2.94 -0.33 0.00 -1.00 0.00 0.00 57.85 53.57 1c3a n ARG 13 Cb 0.00 -2.00 -0.07 0.00 -1.05 0.00 0.00 32.46 29.34 1c3a n ARG 13 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1c3a s TYR 14 N -2.37 1.81 -0.04 2.89 2.02 -0.24 -4.18 117.35 117.23 1c3a s TYR 14 Ca 0.49 -0.97 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1c3a s TYR 14 Cb 0.35 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1c3a s TYR 14 CO 0.17 0.19 0.02 0.00 -1.57 0.00 0.00 175.55 174.37 1c3a s TYR 16 N 1.49 2.08 -0.28 0.00 1.51 0.62 -1.32 117.35 121.44 1c3a s TYR 16 Ca -0.03 -0.77 -0.26 0.00 -1.01 0.00 0.00 57.07 55.00 1c3a s TYR 16 Cb -0.13 -1.85 0.14 0.00 -0.11 0.00 0.00 41.96 40.01 1c3a s TYR 16 CO -0.03 -0.02 1.13 -1.14 -1.11 0.00 0.00 175.55 174.38 1c3a s GLN 17 N -4.02 0.40 -0.20 -0.62 0.74 -1.03 0.03 119.66 114.97 1c3a s GLN 17 Ca 0.29 0.43 -0.05 0.00 0.05 0.00 0.00 55.36 56.09 1c3a s GLN 17 Cb 0.01 0.20 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 1c3a s GLN 17 CO 0.17 -0.06 -0.01 0.00 -0.55 0.00 0.00 175.29 174.84 1c3a s ALA 18 N 0.04 3.00 -0.16 1.58 0.00 -1.26 -0.93 121.76 124.04 1c3a s ALA 18 Ca 0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1c3a s ALA 18 Cb -0.05 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1c3a s ALA 18 CO -0.08 -0.14 0.05 -0.06 0.00 0.00 0.00 175.76 175.53 1c3a s PHE 19 N 0.98 3.24 -0.36 0.00 0.08 -0.54 -4.89 117.98 116.49 1c3a s PHE 19 Ca 0.01 0.10 0.23 0.00 0.12 0.00 0.00 56.93 57.39 1c3a s PHE 19 Cb -0.14 -2.00 0.07 0.00 -0.57 0.00 0.00 43.02 40.38 1c3a s PHE 19 CO 0.02 0.25 1.09 -1.13 -0.10 0.00 0.00 175.22 175.34 1c3a n SER 20 N 3.13 0.78 -4.68 1.36 3.41 -1.26 -2.39 113.62 113.96 1c3a n SER 20 Ca -0.17 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1c3a n SER 20 Cb 0.53 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.91 1c3a n SER 20 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1c3a s LYS 21 N -3.31 4.23 0.20 4.33 2.20 -1.26 -4.65 119.74 121.47 1c3a s LYS 21 Ca 0.01 2.08 -0.30 0.00 -0.36 0.00 0.00 55.97 57.40 1c3a s LYS 21 Cb 0.11 -3.75 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 1c3a s LYS 21 CO 0.78 -0.72 1.09 -1.25 -0.36 0.00 0.00 175.35 174.90 1c3a s PRO 22 N 3.16 4.61 0.17 4.03 0.04 -1.26 -4.56 135.00 141.19 1c3a s PRO 22 Ca 0.68 1.72 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 1c3a s PRO 22 Cb -0.32 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1c3a s PRO 22 CO 0.27 0.12 0.15 0.15 0.04 0.00 0.00 177.00 177.74 1c3a s LYS 23 N -0.61 1.12 0.71 4.56 1.02 0.71 -4.66 119.74 122.58 1c3a s LYS 23 Ca 0.48 -1.46 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 1c3a s LYS 23 Cb -0.30 0.29 0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1c3a s LYS 23 CO 0.36 -0.37 1.05 0.54 -0.92 0.00 0.00 175.35 176.01 1c3a s ASN 24 N -3.08 4.99 0.16 2.83 2.20 -1.25 -0.42 114.94 120.36 1c3a s ASN 24 Ca 0.29 0.69 -0.21 0.00 -0.94 0.00 0.00 52.86 52.70 1c3a s ASN 24 Cb 0.06 -1.40 0.06 0.00 -2.00 0.00 0.00 41.25 37.97 1c3a s ASN 24 CO 0.06 -1.53 1.64 -0.25 -2.94 0.00 0.00 177.10 174.08 1c3a h TRP 25 N -0.64 -0.51 0.24 1.54 7.01 -1.76 0.21 115.95 122.04 1c3a h TRP 25 Ca -0.45 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.58 1c3a h TRP 25 Cb 1.30 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 28.62 1c3a h TRP 25 CO 0.38 -0.28 -0.23 0.93 -2.79 0.00 0.00 178.44 176.45 1c3a h GLU 26 N -0.17 -0.45 -0.93 2.65 3.07 -1.94 -1.39 114.58 115.42 1c3a h GLU 26 Ca 0.16 0.03 0.18 0.00 -0.50 0.00 0.00 59.36 59.23 1c3a h GLU 26 Cb 0.41 0.10 -0.10 0.00 -0.84 0.00 0.00 28.75 28.32 1c3a h GLU 26 CO -0.41 -0.30 0.52 -0.44 -1.40 0.00 0.00 179.01 176.98 1c3a h ASP 27 N -0.47 0.63 0.15 1.42 3.32 -1.92 -0.17 116.42 119.39 1c3a h ASP 27 Ca -0.03 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.14 1c3a h ASP 27 Cb 0.41 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1c3a h ASP 27 CO -0.03 0.22 -0.33 0.00 -1.72 0.00 0.00 179.24 177.38 1c3a h ALA 28 N 1.62 -0.59 -0.10 3.45 0.00 -0.39 -0.27 119.26 122.98 1c3a h ALA 28 Ca 0.53 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.42 1c3a h ALA 28 Cb 0.82 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1c3a h ALA 28 CO -0.39 -0.89 -0.41 1.49 0.00 0.00 0.00 179.25 179.05 1c3a h GLU 29 N -0.58 -0.48 -0.71 0.00 4.57 0.08 0.11 114.58 117.56 1c3a h GLU 29 Ca 0.02 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.43 1c3a h GLU 29 Cb 0.60 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.26 1c3a h GLU 29 CO -0.17 -0.32 0.51 0.77 -1.18 0.00 0.00 179.01 178.61 1c3a h SER 30 N -0.50 0.07 0.47 1.04 0.02 -0.89 -1.04 113.55 112.72 1c3a h SER 30 Ca 0.07 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1c3a h SER 30 Cb 0.63 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1c3a h SER 30 CO -0.38 0.03 -0.22 0.15 -1.14 0.00 0.00 176.83 175.27 1c3a h PHE 31 N 0.07 -0.58 0.23 3.45 3.04 0.10 -2.77 116.94 120.49 1c3a h PHE 31 Ca 0.34 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.29 1c3a h PHE 31 Cb 1.26 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 39.93 1c3a h PHE 31 CO -0.00 -0.27 -0.47 0.00 -2.02 0.00 0.00 178.31 175.55 1c3a h GLU 33 N -0.78 0.02 0.00 0.00 5.08 -1.40 0.11 114.58 117.61 1c3a h GLU 33 Ca -0.01 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 1c3a h GLU 33 Cb 0.76 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1c3a h GLU 33 CO -0.20 0.01 -1.64 0.39 -1.00 0.00 0.00 179.01 176.57 1c3a n GLU 34 N -4.18 0.63 0.27 2.33 1.02 -0.68 -4.07 120.64 115.97 1c3a n GLU 34 Ca 0.28 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.52 1c3a n GLU 34 Cb 1.31 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.90 1c3a n GLU 34 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1c3a h GLY 35 N 3.66 -0.97 -6.85 0.62 0.00 0.85 -3.40 103.07 96.98 1c3a h GLY 35 Ca -0.25 0.40 -0.59 0.00 0.00 0.00 0.00 47.33 46.89 1c3a h GLY 35 CO 0.06 -0.33 -0.78 0.14 0.00 0.00 0.00 176.54 175.63 1c3a s VAL 36 N -4.84 0.82 0.00 4.60 1.01 -1.17 -5.08 120.40 115.74 1c3a s VAL 36 Ca -0.12 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1c3a s VAL 36 Cb 0.02 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1c3a s VAL 36 CO 0.38 -0.90 0.00 0.29 0.00 0.00 0.00 175.10 174.87 1c3a n LYS 37 N 3.93 0.00 0.00 2.72 5.02 -1.26 -1.17 118.16 127.40 1c3a n LYS 37 Ca 0.08 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.42 1c3a n LYS 37 Cb 0.36 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.63 1c3a n LYS 37 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1c3a n THR 38 N 0.00 0.00 -1.12 -0.18 -2.24 -1.26 -4.65 114.28 104.83 1c3a n THR 38 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1c3a n THR 38 Cb 0.00 -0.56 0.10 0.00 -2.10 0.00 0.00 70.33 67.77 1c3a n THR 38 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c3a n SER 39 N -0.79 -0.34 -3.62 3.42 7.64 -0.32 -4.78 113.62 114.83 1c3a n SER 39 Ca 0.07 0.54 -0.07 0.00 1.01 0.00 0.00 58.87 60.42 1c3a n SER 39 Cb 0.03 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 61.86 1c3a n SER 39 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1c3a s HIS 40 N -2.08 -0.30 0.82 1.43 3.76 -1.17 -3.55 115.29 114.20 1c3a s HIS 40 Ca 0.68 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 55.51 1c3a s HIS 40 Cb -0.30 0.60 0.09 0.00 1.11 0.00 0.00 32.58 34.08 1c3a s HIS 40 CO 0.56 -0.81 1.16 -0.51 -0.85 0.00 0.00 174.74 174.29 1c3a s LEU 41 N -2.75 3.05 0.70 0.89 1.43 -1.26 -1.08 118.68 119.66 1c3a s LEU 41 Ca 0.07 2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 55.18 1c3a s LEU 41 Cb -0.02 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.64 1c3a s LEU 41 CO -0.04 -2.60 1.04 1.33 0.23 0.00 0.00 176.35 176.31 1c3a n VAL 42 N -3.56 3.21 -5.12 -1.59 0.24 -0.38 -4.44 118.33 106.69 1c3a n VAL 42 Ca 0.12 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.72 1c3a n VAL 42 Cb 0.52 -1.18 -0.17 0.00 -1.47 0.00 0.00 33.84 31.54 1c3a n VAL 42 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1c3a s SER 43 N -1.59 2.81 -0.68 -1.34 0.01 -1.26 -1.40 113.70 110.24 1c3a s SER 43 Ca 0.75 -0.48 -0.09 0.00 1.31 0.00 0.00 55.95 57.44 1c3a s SER 43 Cb -0.35 -1.00 0.18 0.00 0.21 0.00 0.00 66.02 65.05 1c3a s SER 43 CO 0.48 0.18 0.56 -0.63 0.41 0.00 0.00 173.24 174.25 1c3a s ILE 44 N 0.12 4.62 -0.25 1.44 -1.09 -1.26 -4.89 121.20 119.88 1c3a s ILE 44 Ca -0.10 -2.54 0.22 0.00 -2.23 0.00 0.00 60.65 56.00 1c3a s ILE 44 Cb -0.15 -3.93 0.25 0.00 -1.58 0.00 0.00 42.46 37.05 1c3a s ILE 44 CO 0.05 -0.92 1.62 -0.33 -1.23 0.00 0.00 174.94 174.12 1c3a h GLU 45 N 7.61 0.00 -3.46 2.79 5.08 -1.98 -3.48 114.58 121.15 1c3a h GLU 45 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1c3a h GLU 45 Cb 1.01 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.13 1c3a h GLU 45 CO 0.76 0.17 -0.12 -1.54 -1.00 0.00 0.00 179.01 177.29 1c3a s SER 46 N -6.24 -0.18 0.38 1.42 1.04 -1.26 -5.03 113.70 103.83 1c3a s SER 46 Ca 0.05 -0.38 0.13 0.00 0.48 0.00 0.00 55.95 56.22 1c3a s SER 46 Cb 0.07 0.46 0.94 0.00 0.10 0.00 0.00 66.02 67.58 1c3a s SER 46 CO 0.68 -0.84 1.84 0.28 0.98 0.00 0.00 173.24 176.17 1c3a h SER 47 N 2.42 0.56 -0.33 7.02 0.02 -2.00 -0.64 113.55 120.60 1c3a h SER 47 Ca -0.34 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1c3a h SER 47 Cb 1.25 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1c3a h SER 47 CO 0.48 0.23 0.17 1.23 -1.14 0.00 0.00 176.83 177.80 1c3a h GLY 48 N 0.56 0.51 1.05 -3.77 0.00 -1.99 -1.50 103.07 97.92 1c3a h GLY 48 Ca 0.50 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.54 1c3a h GLY 48 CO -0.23 0.23 0.31 -2.09 0.00 0.00 0.00 176.54 174.75 1c3a h GLU 49 N 0.41 1.19 -0.56 4.80 4.81 -1.56 -2.36 114.58 121.30 1c3a h GLU 49 Ca 0.12 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1c3a h GLU 49 Cb 0.09 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1c3a h GLU 49 CO -0.02 0.97 0.32 0.78 -0.73 0.00 0.00 179.01 180.33 1c3a h GLY 50 N 1.15 0.80 2.00 1.92 0.00 -0.90 0.22 103.07 108.27 1c3a h GLY 50 Ca 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1c3a h GLY 50 CO -0.02 0.17 -0.08 -0.55 0.00 0.00 0.00 176.54 176.05 1c3a h ASP 51 N 0.62 0.00 0.09 0.19 5.19 -0.80 -1.63 116.42 120.07 1c3a h ASP 51 Ca 0.24 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1c3a h ASP 51 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1c3a h ASP 51 CO -0.14 0.08 -0.04 0.15 -3.12 0.00 0.00 179.24 176.18 1c3a h PHE 52 N 0.00 -0.11 -0.84 4.55 3.57 -0.54 -2.93 116.94 120.64 1c3a h PHE 52 Ca -0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1c3a h PHE 52 Cb 0.32 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 1c3a h PHE 52 CO 0.00 0.36 0.55 0.28 -2.23 0.00 0.00 178.31 177.27 1c3a h VAL 53 N -0.94 0.81 0.91 1.41 2.07 -0.95 0.10 116.25 119.66 1c3a h VAL 53 Ca -0.01 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1c3a h VAL 53 Cb 0.51 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1c3a h VAL 53 CO 0.02 0.10 -0.44 0.00 0.02 0.00 0.00 177.57 177.28 1c3a h ALA 54 N 1.62 -1.30 -0.54 1.67 0.00 -1.37 -0.80 119.26 118.53 1c3a h ALA 54 Ca 0.42 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1c3a h ALA 54 Cb 0.79 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1c3a h ALA 54 CO -0.17 -1.21 0.21 1.96 0.00 0.00 0.00 179.25 180.03 1c3a h GLN 55 N -1.25 0.39 0.10 0.00 4.20 -1.18 -1.13 115.11 116.24 1c3a h GLN 55 Ca -0.13 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1c3a h GLN 55 Cb 0.94 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1c3a h GLN 55 CO 0.21 0.26 -0.48 1.25 -0.67 0.00 0.00 178.83 179.39 1c3a h LEU 56 N 0.40 -1.44 -0.90 1.46 6.46 -0.69 0.45 115.31 121.05 1c3a h LEU 56 Ca 0.26 0.15 0.11 0.00 -0.12 0.00 0.00 57.88 58.29 1c3a h LEU 56 Cb 0.28 0.53 -0.08 0.00 -0.73 0.00 0.00 40.66 40.66 1c3a h LEU 56 CO -0.25 -0.50 0.53 0.58 -0.62 0.00 0.00 178.44 178.17 1c3a h VAL 57 N -0.68 0.88 0.00 1.05 2.07 -0.82 0.45 116.25 119.20 1c3a h VAL 57 Ca -0.01 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1c3a h VAL 57 Cb 0.68 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1c3a h VAL 57 CO -0.26 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.48 1c3a h ALA 58 N 1.51 1.00 0.00 1.67 0.00 -0.19 -2.31 119.26 120.94 1c3a h ALA 58 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 55.05 1c3a h ALA 58 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1c3a h ALA 58 CO -0.28 0.00 -2.16 -1.91 0.00 0.00 0.00 179.25 174.90 1c3a n GLU 59 N -2.48 0.98 -0.00 0.00 2.13 0.81 -4.71 120.64 117.37 1c3a n GLU 59 Ca 0.01 0.05 0.09 0.00 0.66 0.00 0.00 57.16 57.97 1c3a n GLU 59 Cb 0.22 -1.42 -0.12 0.00 0.27 0.00 0.00 31.44 30.39 1c3a n GLU 59 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1c3a n LYS 60 N -2.83 0.44 -4.04 5.31 4.76 0.12 -4.83 118.16 117.10 1c3a n LYS 60 Ca -0.31 -0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 54.79 1c3a n LYS 60 Cb 0.98 -1.44 -0.15 0.00 -1.84 0.00 0.00 35.03 32.57 1c3a n LYS 60 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1c3a s ILE 61 N -2.93 2.16 -0.23 -0.18 1.01 -0.88 -4.82 121.20 115.33 1c3a s ILE 61 Ca 0.06 -1.91 -0.02 0.00 0.00 0.00 0.00 60.65 58.77 1c3a s ILE 61 Cb 0.15 -2.42 -0.18 0.00 0.01 0.00 0.00 42.46 40.02 1c3a s ILE 61 CO 0.82 -0.28 -0.10 0.29 0.00 0.00 0.00 174.94 175.66 1c3a n LYS 62 N 4.37 0.66 -1.63 2.79 4.01 -1.26 -4.77 118.16 122.34 1c3a n LYS 62 Ca -0.06 0.20 -0.60 0.00 -0.51 0.00 0.00 58.31 57.34 1c3a n LYS 62 Cb 0.42 -1.56 -0.08 0.00 -0.51 0.00 0.00 35.03 33.30 1c3a n LYS 62 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1c3a n THR 63 N -3.46 0.06 -1.46 -0.18 -2.24 -1.26 -4.63 114.28 101.11 1c3a n THR 63 Ca -0.44 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1c3a n THR 63 Cb 0.98 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1c3a n THR 63 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c3a n SER 64 N 3.20 0.39 -2.42 3.42 3.41 -1.26 -4.90 113.62 115.47 1c3a n SER 64 Ca 0.24 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1c3a n SER 64 Cb 0.07 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 1c3a n SER 64 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1c3a n PHE 65 N 14.22 -1.67 0.00 7.33 1.16 -1.26 -5.05 117.46 132.19 1c3a n PHE 65 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.99 1c3a n PHE 65 Cb 0.40 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 1c3a n PHE 65 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 1c3a n GLN 66 N -0.43 0.00 -3.76 3.97 7.27 -1.26 -4.93 117.38 118.24 1c3a n GLN 66 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1c3a n GLN 66 Cb 0.00 -0.36 -0.07 0.00 2.41 0.00 0.00 30.24 32.22 1c3a n GLN 66 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1c3a s TYR 67 N -1.00 -0.06 -0.10 3.69 2.02 -1.26 -2.54 117.35 118.10 1c3a s TYR 67 Ca 0.00 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1c3a s TYR 67 Cb 0.00 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.66 1c3a s TYR 67 CO 0.00 -0.55 -0.14 0.08 -1.57 0.00 0.00 175.55 173.37 1c3a s VAL 68 N -3.15 1.40 0.32 0.71 1.01 -0.28 -3.97 120.40 116.44 1c3a s VAL 68 Ca -0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1c3a s VAL 68 Cb 0.01 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 34.99 1c3a s VAL 68 CO -0.07 0.42 1.49 0.26 0.00 0.00 0.00 175.10 177.20 1c3a s TRP 69 N 1.04 2.79 0.27 5.22 0.23 0.50 -1.20 118.94 127.77 1c3a s TRP 69 Ca -0.06 1.05 0.09 0.00 -2.03 0.00 0.00 56.10 55.15 1c3a s TRP 69 Cb -0.15 -3.95 -0.05 0.00 0.03 0.00 0.00 33.47 29.35 1c3a s TRP 69 CO -0.02 -2.96 -0.14 0.42 0.96 0.00 0.00 176.95 175.21 1c3a s ILE 70 N -0.56 2.05 -2.00 2.03 1.09 -1.01 -3.84 121.20 118.97 1c3a s ILE 70 Ca 0.57 -2.26 0.01 0.00 -1.10 0.00 0.00 60.65 57.87 1c3a s ILE 70 Cb -0.45 -2.32 0.02 0.00 -1.06 0.00 0.00 42.46 38.65 1c3a s ILE 70 CO 0.53 -0.40 0.96 0.61 -0.10 0.00 0.00 174.94 176.55 1c3a n GLY 71 N -0.58 -0.94 3.65 6.18 0.00 -0.49 -4.66 105.19 108.35 1c3a n GLY 71 Ca -0.06 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1c3a n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3a s LEU 72 N -1.02 4.11 0.04 0.99 0.20 -1.26 -4.99 118.68 116.75 1c3a s LEU 72 Ca 0.01 0.92 0.04 0.00 0.69 0.00 0.00 54.13 55.79 1c3a s LEU 72 Cb 0.00 -3.03 -0.02 0.00 -0.43 0.00 0.00 46.19 42.72 1c3a s LEU 72 CO 0.01 -0.39 -0.11 -0.60 -0.29 0.00 0.00 176.35 174.97 1c3a s ARG 73 N 2.35 0.76 -0.33 1.98 3.52 -1.26 -1.02 118.95 124.95 1c3a s ARG 73 Ca 0.32 -0.70 -0.25 0.00 -0.13 0.00 0.00 55.73 54.96 1c3a s ARG 73 Cb -0.16 -0.71 0.01 0.00 -1.56 0.00 0.00 34.95 32.53 1c3a s ARG 73 CO 0.09 0.17 0.89 0.42 -0.81 0.00 0.00 175.30 176.06 1c3a s ILE 74 N -0.92 4.67 -0.44 4.11 1.01 -0.15 -4.95 121.20 124.53 1c3a s ILE 74 Ca -0.01 1.30 0.26 0.00 0.00 0.00 0.00 60.65 62.20 1c3a s ILE 74 Cb -0.08 -4.26 0.31 0.00 0.01 0.00 0.00 42.46 38.44 1c3a s ILE 74 CO 0.01 -0.39 1.77 1.56 0.00 0.00 0.00 174.94 177.89 1c3a h GLN 75 N 8.22 0.00 -6.82 2.79 1.08 -2.00 -3.47 115.11 114.92 1c3a h GLN 75 Ca -0.23 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.41 1c3a h GLN 75 Cb 1.08 0.00 0.18 0.00 -0.05 0.00 0.00 27.48 28.69 1c3a h GLN 75 CO 0.95 0.00 -0.08 0.09 -0.95 0.00 0.00 178.83 178.83 1c3a n ASN 76 N -2.57 -0.13 -0.06 1.46 4.13 -1.26 -4.94 115.26 111.90 1c3a n ASN 76 Ca 0.03 0.66 -0.08 0.00 1.68 0.00 0.00 54.58 56.86 1c3a n ASN 76 Cb 0.36 -1.33 -0.15 0.00 -1.54 0.00 0.00 39.78 37.12 1c3a n ASN 76 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1c3a n LYS 77 N -1.34 0.66 -1.38 3.52 5.02 -1.26 -4.96 118.16 118.42 1c3a n LYS 77 Ca 0.12 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 56.20 1c3a n LYS 77 Cb 0.49 -1.65 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 1c3a n LYS 77 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1c3a s GLU 78 N -2.58 2.15 0.51 1.97 8.01 -1.26 -4.91 118.70 122.59 1c3a s GLU 78 Ca -0.07 1.54 0.15 0.00 0.01 0.00 0.00 54.97 56.60 1c3a s GLU 78 Cb 0.07 -1.86 1.22 0.00 -4.31 0.00 0.00 34.13 29.25 1c3a s GLU 78 CO 0.83 -1.78 2.13 1.96 0.01 0.00 0.00 175.26 178.41 1c3a h GLN 79 N -0.58 0.07 -3.70 1.61 4.20 -1.99 -3.43 115.11 111.29 1c3a h GLN 79 Ca -0.46 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.17 1c3a h GLN 79 Cb 1.27 -0.02 -0.14 0.00 0.30 0.00 0.00 27.48 28.89 1c3a h GLN 79 CO 0.50 0.05 -0.30 1.14 -0.67 0.00 0.00 178.83 179.54 1c3a s GLN 80 N -5.13 0.89 0.00 1.46 1.03 -1.26 -4.75 119.66 111.90 1c3a s GLN 80 Ca -0.05 -0.89 0.25 0.00 0.04 0.00 0.00 55.36 54.71 1c3a s GLN 80 Cb 0.17 0.37 0.75 0.00 0.03 0.00 0.00 33.01 34.34 1c3a s GLN 80 CO 0.68 -0.30 1.57 0.00 -2.54 0.00 0.00 175.29 174.71 1c3a s ARG 82 N -1.92 3.94 0.36 0.00 6.06 -1.26 -4.86 118.95 121.28 1c3a s ARG 82 Ca 0.35 1.94 0.19 0.00 -2.50 0.00 0.00 55.73 55.71 1c3a s ARG 82 Cb 0.20 -4.03 0.50 0.00 0.06 0.00 0.00 34.95 31.67 1c3a s ARG 82 CO 0.31 -1.12 1.64 0.66 -2.50 0.00 0.00 175.30 174.29 1c3a h SER 83 N 10.41 0.00 -5.06 -2.12 4.64 -1.98 -3.46 113.55 115.98 1c3a h SER 83 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 1c3a h SER 83 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 1c3a h SER 83 CO 0.98 0.35 -0.29 -1.83 -0.87 0.00 0.00 176.83 175.17 1c3a s GLU 84 N -3.33 0.78 1.01 4.77 -1.05 -1.26 -3.25 118.70 116.35 1c3a s GLU 84 Ca 0.02 -0.53 -0.17 0.00 -0.15 0.00 0.00 54.97 54.14 1c3a s GLU 84 Cb 0.09 0.33 0.23 0.00 -0.44 0.00 0.00 34.13 34.34 1c3a s GLU 84 CO 0.69 -0.24 1.33 -1.58 0.95 0.00 0.00 175.26 176.41 1c3a s TRP 85 N -2.54 1.28 -0.10 4.83 0.52 -0.13 -4.92 118.94 117.89 1c3a s TRP 85 Ca -0.05 0.26 0.00 0.00 0.02 0.00 0.00 56.10 56.33 1c3a s TRP 85 Cb -0.01 -4.16 0.00 0.00 -1.15 0.00 0.00 33.47 28.15 1c3a s TRP 85 CO -0.03 -2.89 0.94 -1.13 0.02 0.00 0.00 176.95 173.85 1c3a n SER 86 N -3.92 2.77 -0.71 2.95 3.41 -1.26 -2.65 113.62 114.20 1c3a n SER 86 Ca 0.16 -1.97 0.01 0.00 -0.26 0.00 0.00 58.87 56.81 1c3a n SER 86 Cb 0.59 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1c3a n SER 86 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1c3a n ASP 87 N 0.46 0.21 -1.88 4.04 3.85 -1.26 -5.00 116.55 116.98 1c3a n ASP 87 Ca 0.00 -2.00 -0.19 0.00 -0.71 0.00 0.00 54.79 51.89 1c3a n ASP 87 Cb 0.47 -0.22 -0.04 0.00 -1.35 0.00 0.00 41.12 39.98 1c3a n ASP 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1c3a n ALA 88 N 0.11 -0.45 -2.69 2.12 0.00 -1.08 -5.00 120.51 113.51 1c3a n ALA 88 Ca 0.01 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1c3a n ALA 88 Cb 0.80 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 1c3a n ALA 88 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1c3a s SER 89 N -2.42 5.12 0.56 0.00 1.04 -1.26 -4.93 113.70 111.81 1c3a s SER 89 Ca 0.00 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 1c3a s SER 89 Cb 0.00 -1.29 -0.05 0.00 0.10 0.00 0.00 66.02 64.78 1c3a s SER 89 CO 0.00 0.22 1.09 -0.94 0.98 0.00 0.00 173.24 174.59 1c3a s SER 90 N -1.97 5.81 -0.70 7.02 1.04 -1.26 -0.96 113.70 122.68 1c3a s SER 90 Ca 0.23 2.01 -0.21 0.00 0.48 0.00 0.00 55.95 58.46 1c3a s SER 90 Cb -0.12 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.54 1c3a s SER 90 CO 0.15 -1.15 0.92 -0.69 0.98 0.00 0.00 173.24 173.45 1c3a s VAL 91 N -2.06 4.55 -1.37 5.02 1.01 -1.20 -4.79 120.40 121.57 1c3a s VAL 91 Ca 0.68 -0.79 0.21 0.00 0.00 0.00 0.00 61.98 62.08 1c3a s VAL 91 Cb -0.20 -4.65 -0.14 0.00 0.00 0.00 0.00 36.38 31.40 1c3a s VAL 91 CO 0.29 -1.37 0.94 -0.46 0.00 0.00 0.00 175.10 174.50 1c3a n ASN 92 N 7.07 1.37 -3.75 3.32 6.94 -1.26 -4.91 115.26 124.04 1c3a n ASN 92 Ca 0.00 -1.19 -0.16 0.00 -0.02 0.00 0.00 54.58 53.21 1c3a n ASN 92 Cb 0.45 0.79 -0.16 0.00 -2.36 0.00 0.00 39.78 38.50 1c3a n ASN 92 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1c3a s TYR 93 N -2.72 0.04 0.08 -2.53 6.14 -1.26 -5.14 117.35 111.96 1c3a s TYR 93 Ca 0.12 0.16 0.05 0.00 0.64 0.00 0.00 57.07 58.04 1c3a s TYR 93 Cb 0.16 -0.30 -0.03 0.00 0.42 0.00 0.00 41.96 42.21 1c3a s TYR 93 CO 0.72 -0.11 -0.14 -1.21 0.64 0.00 0.00 175.55 175.45 1c3a s GLU 94 N 1.35 0.85 -0.47 4.97 2.02 -1.26 -5.10 118.70 121.06 1c3a s GLU 94 Ca -0.06 -1.01 0.05 0.00 0.02 0.00 0.00 54.97 53.98 1c3a s GLU 94 Cb -0.13 -0.83 0.25 0.00 0.10 0.00 0.00 34.13 33.52 1c3a s GLU 94 CO -0.03 0.18 0.95 -1.71 0.02 0.00 0.00 175.26 174.67 1c3a n ASN 95 N 1.14 -2.69 -4.87 -0.19 5.15 -1.26 -5.11 115.26 107.43 1c3a n ASN 95 Ca -0.20 -3.20 -0.37 0.00 -0.60 0.00 0.00 54.58 50.21 1c3a n ASN 95 Cb 0.55 1.74 -0.06 0.00 -0.53 0.00 0.00 39.78 41.48 1c3a n ASN 95 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1c3a s LEU 96 N -0.80 4.41 0.15 1.20 1.02 -1.26 -5.04 118.68 118.35 1c3a s LEU 96 Ca 0.30 0.57 -0.31 0.00 0.02 0.00 0.00 54.13 54.71 1c3a s LEU 96 Cb 0.23 -2.18 -0.09 0.00 0.02 0.00 0.00 46.19 44.17 1c3a s LEU 96 CO -0.22 0.39 1.51 0.68 0.02 0.00 0.00 176.35 178.74 1c3a s VAL 97 N -1.02 2.83 0.25 -1.59 -7.23 -1.26 -4.87 120.40 107.52 1c3a s VAL 97 Ca 0.17 0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 60.88 1c3a s VAL 97 Cb -0.13 -3.38 0.40 0.00 0.56 0.00 0.00 36.38 33.83 1c3a s VAL 97 CO 0.06 0.05 1.38 2.29 -0.31 0.00 0.00 175.10 178.57 1c3a n LYS 98 N 3.96 -0.08 0.25 4.82 2.85 -1.26 -0.63 118.16 128.08 1c3a n LYS 98 Ca 0.13 1.37 0.11 0.00 -1.05 0.00 0.00 58.31 58.87 1c3a n LYS 98 Cb 0.40 -2.07 0.57 0.00 -0.65 0.00 0.00 35.03 33.28 1c3a n LYS 98 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1c3a h GLN 99 N 0.00 0.00 -0.66 -1.58 7.50 -2.03 0.04 115.11 118.38 1c3a h GLN 99 Ca 0.45 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.60 1c3a h GLN 99 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.28 1c3a h GLN 99 CO -0.89 0.00 0.00 1.19 -1.50 0.00 0.00 178.83 177.63 1c3a n PHE 100 N -2.48 0.88 -3.22 2.96 3.01 0.20 -4.59 117.46 114.22 1c3a n PHE 100 Ca -0.01 -0.47 -0.45 0.00 1.01 0.00 0.00 57.45 57.53 1c3a n PHE 100 Cb 0.36 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1c3a n PHE 100 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1c3a n SER 101 N 1.54 5.55 -4.56 4.37 2.88 -0.00 -4.98 113.62 118.41 1c3a n SER 101 Ca 0.23 -3.06 -0.33 0.00 -1.33 0.00 0.00 58.87 54.38 1c3a n SER 101 Cb 0.60 -1.41 -0.04 0.00 -0.75 0.00 0.00 64.21 62.62 1c3a n SER 101 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1c3a s LYS 102 N -0.90 2.95 0.00 -1.46 1.02 -1.26 -4.57 119.74 115.52 1c3a s LYS 102 Ca 0.33 -0.56 0.18 0.00 0.02 0.00 0.00 55.97 55.94 1c3a s LYS 102 Cb -0.07 -5.12 0.12 0.00 -0.52 0.00 0.00 37.83 32.24 1c3a s LYS 102 CO -0.05 -2.90 1.05 1.63 -0.92 0.00 0.00 175.35 174.17 1c3a n LYS 103 N 8.89 1.52 -4.83 1.68 5.02 -1.10 -4.58 118.16 124.77 1c3a n LYS 103 Ca 0.36 -1.49 -0.33 0.00 -2.02 0.00 0.00 58.31 54.83 1c3a n LYS 103 Cb 0.49 -1.34 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 1c3a n LYS 103 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c3a s TYR 105 N -0.29 3.58 0.22 0.00 1.51 -0.19 -0.31 117.35 121.88 1c3a s TYR 105 Ca 0.02 0.65 -0.14 0.00 -1.01 0.00 0.00 57.07 56.59 1c3a s TYR 105 Cb -0.13 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 1c3a s TYR 105 CO 0.03 0.59 0.48 0.00 -1.11 0.00 0.00 175.55 175.54 1c3a s ALA 106 N -1.32 -0.50 0.34 3.71 0.00 0.35 -2.41 121.76 121.93 1c3a s ALA 106 Ca 0.29 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1c3a s ALA 106 Cb -0.13 0.95 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1c3a s ALA 106 CO 0.16 -0.82 0.59 -0.51 0.00 0.00 0.00 175.76 175.19 1c3a s LEU 107 N -2.96 3.97 0.05 0.00 1.02 -0.34 -0.20 118.68 120.22 1c3a s LEU 107 Ca 0.17 0.67 0.09 0.00 0.02 0.00 0.00 54.13 55.08 1c3a s LEU 107 Cb -0.01 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 1c3a s LEU 107 CO 0.04 -0.30 -0.25 -0.75 0.02 0.00 0.00 176.35 175.12 1c3a s LYS 108 N -4.00 1.81 0.93 1.70 2.20 -1.26 -1.13 119.74 119.98 1c3a s LYS 108 Ca 0.43 -1.11 -0.12 0.00 -0.36 0.00 0.00 55.97 54.81 1c3a s LYS 108 Cb -0.10 -2.01 0.15 0.00 -1.51 0.00 0.00 37.83 34.35 1c3a s LYS 108 CO 0.34 0.51 1.10 0.21 -0.36 0.00 0.00 175.35 177.15 1c3a s LYS 109 N -1.38 0.99 0.00 4.03 2.20 -1.05 -3.26 119.74 121.27 1c3a s LYS 109 Ca 0.13 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1c3a s LYS 109 Cb -0.10 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1c3a s LYS 109 CO 0.03 -2.37 0.00 0.41 -0.36 0.00 0.00 175.35 173.06 1c3a n GLY 110 N -1.33 2.42 3.78 5.54 0.00 -1.26 -4.97 105.19 109.36 1c3a n GLY 110 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1c3a n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c3a s THR 111 N -2.93 1.45 0.34 2.61 -4.23 -1.20 -5.02 115.64 106.67 1c3a s THR 111 Ca 0.00 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1c3a s THR 111 Cb 0.00 -2.31 0.31 0.00 1.34 0.00 0.00 72.50 71.84 1c3a s THR 111 CO 0.00 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.61 1c3a h GLU 112 N 1.26 0.73 0.00 3.99 4.39 -1.93 -3.46 114.58 119.55 1c3a h GLU 112 Ca -0.42 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1c3a h GLU 112 Cb 1.30 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1c3a h GLU 112 CO 0.71 0.48 0.00 1.28 -1.16 0.00 0.00 179.01 180.32 1c3a n LEU 113 N -4.57 -0.22 -2.02 1.33 4.77 -1.26 -4.90 117.00 110.12 1c3a n LEU 113 Ca 0.18 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.12 1c3a n LEU 113 Cb 0.44 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1c3a n LEU 113 CO 0.29 0.00 0.10 -2.11 -1.33 0.00 0.00 177.39 174.34 1c3a n ARG 114 N -1.59 1.72 -3.81 3.23 1.85 -1.26 -4.33 116.66 112.47 1c3a n ARG 114 Ca 0.00 -3.27 -0.13 0.00 -1.00 0.00 0.00 57.85 53.46 1c3a n ARG 114 Cb 0.11 -1.37 -0.13 0.00 -1.05 0.00 0.00 32.46 30.02 1c3a n ARG 114 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1c3a s THR 115 N -2.99 -0.01 -0.29 8.89 -4.23 -1.26 -5.07 115.64 110.68 1c3a s THR 115 Ca 0.36 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.77 1c3a s THR 115 Cb 0.36 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.93 1c3a s THR 115 CO -0.06 0.01 0.25 0.26 -0.54 0.00 0.00 174.62 174.54 1c3a s TRP 116 N 0.26 3.23 -0.11 3.99 0.51 -1.26 -4.46 118.94 121.09 1c3a s TRP 116 Ca -0.01 0.10 -0.04 0.00 -2.12 0.00 0.00 56.10 54.03 1c3a s TRP 116 Cb -0.03 -2.46 -0.04 0.00 -0.81 0.00 0.00 33.47 30.14 1c3a s TRP 116 CO -0.01 -0.23 0.04 -0.06 -0.51 0.00 0.00 176.95 176.18 1c3a s PHE 117 N 1.83 3.27 -0.04 -1.98 0.08 0.72 -4.87 117.98 116.99 1c3a s PHE 117 Ca 0.09 0.24 -0.08 0.00 0.12 0.00 0.00 56.93 57.29 1c3a s PHE 117 Cb -0.16 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1c3a s PHE 117 CO 0.11 0.47 0.26 0.54 -0.10 0.00 0.00 175.22 176.50 1c3a s ASN 118 N -0.71 6.53 0.31 1.36 4.22 -1.26 -0.50 114.94 124.89 1c3a s ASN 118 Ca 0.12 0.62 0.06 0.00 -2.14 0.00 0.00 52.86 51.52 1c3a s ASN 118 Cb -0.12 -2.12 -0.02 0.00 1.28 0.00 0.00 41.25 40.27 1c3a s ASN 118 CO 0.02 0.32 0.22 1.33 -2.04 0.00 0.00 177.10 176.95 1c3a n VAL 119 N 1.55 0.00 -2.43 3.54 0.24 0.57 -4.96 118.33 116.84 1c3a n VAL 119 Ca -0.15 -2.14 -0.41 0.00 -2.04 0.00 0.00 64.34 59.60 1c3a n VAL 119 Cb 0.53 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 1c3a n VAL 119 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1c3a s TYR 120 N -3.12 3.48 -1.33 6.34 6.04 -1.26 -2.06 117.35 125.43 1c3a s TYR 120 Ca 0.31 1.43 0.00 0.00 0.04 0.00 0.00 57.07 58.84 1c3a s TYR 120 Cb 0.02 -3.38 0.00 0.00 -1.04 0.00 0.00 41.96 37.55 1c3a s TYR 120 CO 0.22 -1.06 0.32 0.00 -1.54 0.00 0.00 175.55 173.48 1c3a n GLY 122 N 0.17 0.63 3.75 0.00 0.00 -1.26 -3.50 105.19 104.97 1c3a n GLY 122 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1c3a n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c3a n THR 123 N -0.97 2.76 -2.76 2.61 -1.04 -0.97 -4.74 114.28 109.17 1c3a n THR 123 Ca 0.01 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.09 1c3a n THR 123 Cb 0.04 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 66.74 1c3a n THR 123 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1c3a s GLU 124 N -2.40 3.75 0.04 -2.82 0.41 -1.26 -3.97 118.70 112.45 1c3a s GLU 124 Ca 0.61 0.50 -0.06 0.00 -0.41 0.00 0.00 54.97 55.62 1c3a s GLU 124 Cb -0.46 -3.85 -0.01 0.00 -1.78 0.00 0.00 34.13 28.02 1c3a s GLU 124 CO 0.57 -1.10 0.10 -0.80 -0.49 0.00 0.00 175.26 173.54 1c3a s ASN 125 N 2.08 0.18 0.66 -0.19 0.02 0.43 -4.77 114.94 113.35 1c3a s ASN 125 Ca 0.40 -0.55 -0.12 0.00 -1.02 0.00 0.00 52.86 51.57 1c3a s ASN 125 Cb -0.11 0.23 -0.01 0.00 0.02 0.00 0.00 41.25 41.39 1c3a s ASN 125 CO 0.23 -0.52 1.05 -2.16 0.02 0.00 0.00 177.10 175.72 1c3a s PRO 126 N -2.71 3.15 0.41 -0.60 0.04 -1.25 -0.21 135.00 133.83 1c3a s PRO 126 Ca -0.04 0.95 0.04 0.00 0.04 0.00 0.00 61.00 61.99 1c3a s PRO 126 Cb -0.01 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1c3a s PRO 126 CO -0.05 -0.93 0.14 -0.85 0.04 0.00 0.00 177.00 175.35 1c3a n GLU 127 N -2.85 0.59 -3.64 4.56 0.00 -1.01 -0.37 120.64 117.92 1c3a n GLU 127 Ca 0.07 -3.42 -0.16 0.00 0.00 0.00 0.00 57.16 53.65 1c3a n GLU 127 Cb 0.54 1.82 -0.14 0.00 0.00 0.00 0.00 31.44 33.66 1c3a n GLU 127 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1c3a s VAL 128 N -3.06 -0.33 0.52 3.84 1.01 -1.25 -1.47 120.40 119.65 1c3a s VAL 128 Ca 0.20 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.47 1c3a s VAL 128 Cb 0.01 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 36.01 1c3a s VAL 128 CO 0.14 0.09 0.73 0.00 0.00 0.00 0.00 175.10 176.06 1c3a s LYS 130 N -4.66 0.53 0.11 0.00 2.20 -0.24 -2.46 119.74 115.20 1c3a s LYS 130 Ca 0.57 1.01 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 1c3a s LYS 130 Cb -0.10 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 1c3a s LYS 130 CO 0.37 -0.16 -0.10 1.52 -0.36 0.00 0.00 175.35 176.62 1c3a s TYR 131 N 1.62 1.10 -0.50 4.03 1.13 -0.44 -3.01 117.35 121.29 1c3a s TYR 131 Ca -0.09 -0.71 -0.12 0.00 -1.41 0.00 0.00 57.07 54.73 1c3a s TYR 131 Cb -0.07 -0.59 0.12 0.00 -1.10 0.00 0.00 41.96 40.31 1c3a s TYR 131 CO -0.16 0.01 0.41 0.99 -2.51 0.00 0.00 175.55 174.28 1c3a s THR 132 N -2.79 4.71 0.33 -3.49 2.01 -1.26 -1.54 115.64 113.61 1c3a s THR 132 Ca 0.09 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 1c3a s THR 132 Cb -0.01 -4.02 -0.11 0.00 0.01 0.00 0.00 72.50 68.37 1c3a s THR 132 CO -0.00 -0.78 1.55 -2.16 -0.69 0.00 0.00 174.62 172.54 1c3a s PRO 133 N 1.49 4.11 -0.23 4.92 0.04 -1.26 -4.96 135.00 139.11 1c3a s PRO 133 Ca 0.04 2.59 -0.10 0.00 0.04 0.00 0.00 61.00 63.57 1c3a s PRO 133 Cb -0.27 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1c3a s PRO 133 CO 0.02 -0.60 0.14 -2.00 0.04 0.00 0.00 177.00 174.60 1c3a s GLU 134 N -1.22 4.04 0.00 4.56 2.12 -1.26 -5.00 118.70 121.94 1c3a s GLU 134 Ca 0.59 -0.29 0.10 0.00 0.36 0.00 0.00 54.97 55.73 1c3a s GLU 134 Cb -0.47 -3.48 0.08 0.00 0.26 0.00 0.00 34.13 30.51 1c3a s GLU 134 CO 0.55 0.08 0.82 0.00 -0.54 0.00 0.00 175.26 176.16