#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci1 s LYS 2 N 0.00 2.72 0.54 0.00 1.02 -1.26 -4.97 119.74 117.79 3ci1 s LYS 2 Ca 0.00 -1.05 0.33 0.00 0.02 0.00 0.00 55.97 55.27 3ci1 s LYS 2 Cb 0.00 -2.98 1.36 0.00 -0.52 0.00 0.00 37.83 35.69 3ci1 s LYS 2 CO 0.00 -0.44 1.98 -0.84 -0.92 0.00 0.00 175.35 175.13 3ci1 h ILE 3 N 6.24 0.00 -3.57 2.17 3.07 -2.13 -3.39 117.51 119.90 3ci1 h ILE 3 Ca -0.30 -0.49 -0.63 0.00 1.55 0.00 0.00 64.86 64.99 3ci1 h ILE 3 Cb 1.10 1.47 -0.14 0.00 -0.27 0.00 0.00 36.82 38.98 3ci1 h ILE 3 CO 0.56 0.00 0.11 -0.72 -1.05 0.00 0.00 178.15 177.05 3ci1 s TYR 4 N -3.66 3.16 -0.11 0.16 -0.85 -1.26 -4.89 117.35 109.90 3ci1 s TYR 4 Ca 0.01 0.35 0.20 0.00 -0.52 0.00 0.00 57.07 57.11 3ci1 s TYR 4 Cb 0.09 -3.09 -0.24 0.00 0.38 0.00 0.00 41.96 39.10 3ci1 s TYR 4 CO 0.53 -0.60 0.50 0.25 -1.52 0.00 0.00 175.55 174.72 3ci1 n THR 5 N 5.54 0.67 -0.66 -3.49 -2.24 -1.26 -4.99 114.28 107.85 3ci1 n THR 5 Ca -0.02 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3ci1 n THR 5 Cb 0.49 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3ci1 n THR 5 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ci1 n LYS 6 N -2.56 0.00 0.28 -0.78 5.02 -1.26 -4.89 118.16 113.97 3ci1 n LYS 6 Ca -0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.28 3ci1 n LYS 6 Cb 0.78 -3.04 0.78 0.00 -0.02 0.00 0.00 35.03 33.52 3ci1 n LYS 6 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3ci1 h ASN 7 N 0.00 0.00 -0.10 4.39 2.35 -1.94 -2.20 115.58 118.07 3ci1 h ASN 7 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ci1 h ASN 7 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3ci1 h ASN 7 CO 0.00 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 3ci1 n GLY 8 N -1.32 -0.21 0.31 2.83 0.00 -1.26 -4.37 105.19 101.17 3ci1 n GLY 8 Ca -0.03 -0.30 0.20 0.00 0.00 0.00 0.00 46.02 45.89 3ci1 n GLY 8 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ci1 h ASP 9 N 1.36 0.00 -0.21 1.61 3.32 -1.68 -0.84 116.42 119.99 3ci1 h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ci1 h ASP 9 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ci1 h ASP 9 CO 0.00 0.02 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 3ci1 n LYS 10 N -3.18 2.19 -0.17 3.56 4.01 -1.26 -4.97 118.16 118.34 3ci1 n LYS 10 Ca -0.02 -1.77 0.00 0.00 -0.51 0.00 0.00 58.31 56.01 3ci1 n LYS 10 Cb 0.17 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 3ci1 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3ci1 n GLY 11 N 1.34 0.63 3.79 0.72 0.00 -0.32 -5.07 105.19 106.29 3ci1 n GLY 11 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3ci1 n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ci1 s GLN 12 N -0.83 2.87 0.07 1.61 -0.21 -1.26 -0.89 119.66 121.01 3ci1 s GLN 12 Ca 0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 55.36 54.29 3ci1 s GLN 12 Cb 0.00 -2.61 0.03 0.00 1.00 0.00 0.00 33.01 31.43 3ci1 s GLN 12 CO 0.00 0.46 0.37 -0.08 -2.12 0.00 0.00 175.29 173.92 3ci1 s THR 13 N -1.83 0.07 0.17 -0.19 -1.32 -0.04 -4.06 115.64 108.45 3ci1 s THR 13 Ca 0.31 -0.59 -0.22 0.00 -1.21 0.00 0.00 61.69 59.98 3ci1 s THR 13 Cb -0.10 -1.03 -0.08 0.00 -1.51 0.00 0.00 72.50 69.78 3ci1 s THR 13 CO 0.23 -0.33 0.72 -0.13 -2.21 0.00 0.00 174.62 172.90 3ci1 s ARG 14 N -2.94 4.36 0.00 7.08 1.81 -1.26 -0.67 118.95 127.33 3ci1 s ARG 14 Ca -0.02 0.95 0.00 0.00 -1.72 0.00 0.00 55.73 54.94 3ci1 s ARG 14 Cb 0.00 -3.09 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 3ci1 s ARG 14 CO -0.06 0.51 0.00 0.44 -0.68 0.00 0.00 175.30 175.51 3ci1 n ILE 15 N 1.23 0.00 -2.47 1.52 -5.35 -0.89 -4.94 119.36 108.47 3ci1 n ILE 15 Ca -0.05 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.02 3ci1 n ILE 15 Cb 0.50 -0.97 -0.04 0.00 -1.74 0.00 0.00 39.64 37.39 3ci1 n ILE 15 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ci1 s ILE 16 N 1.18 3.54 0.00 7.28 1.01 -0.90 -4.71 121.20 128.61 3ci1 s ILE 16 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3ci1 s ILE 16 Cb 0.00 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3ci1 s ILE 16 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3ci1 n GLY 17 N 1.43 -1.80 0.03 6.18 0.00 -1.26 -4.51 105.19 105.26 3ci1 n GLY 17 Ca 0.00 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.36 3ci1 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ci1 n LYS 18 N 0.00 0.19 -2.28 1.61 5.02 -1.26 -4.96 118.16 116.48 3ci1 n LYS 18 Ca 0.00 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 3ci1 n LYS 18 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 3ci1 n LYS 18 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3ci1 s GLN 19 N -3.12 4.48 -0.02 1.97 -0.21 -1.26 -4.92 119.66 116.58 3ci1 s GLN 19 Ca 0.07 2.02 0.00 0.00 0.02 0.00 0.00 55.36 57.47 3ci1 s GLN 19 Cb 0.15 -3.14 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 3ci1 s GLN 19 CO 0.74 -0.02 0.01 0.96 -2.12 0.00 0.00 175.29 174.86 3ci1 s ILE 20 N -0.98 4.28 0.13 1.08 -4.36 -1.26 -2.09 121.20 118.00 3ci1 s ILE 20 Ca 0.48 -0.49 0.05 0.00 -0.26 0.00 0.00 60.65 60.42 3ci1 s ILE 20 Cb -0.36 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.41 3ci1 s ILE 20 CO 0.46 0.42 -0.11 -0.76 0.24 0.00 0.00 174.94 175.19 3ci1 s LEU 21 N -1.45 2.46 0.64 0.37 1.43 0.15 -4.92 118.68 117.37 3ci1 s LEU 21 Ca 0.19 -0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 52.21 3ci1 s LEU 21 Cb -0.12 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.69 3ci1 s LEU 21 CO 0.09 -0.25 1.23 -0.31 0.23 0.00 0.00 176.35 177.33 3ci1 s TYR 22 N -2.72 2.24 0.33 0.29 2.02 -1.26 -0.86 117.35 117.39 3ci1 s TYR 22 Ca 0.11 1.53 0.32 0.00 -0.37 0.00 0.00 57.07 58.66 3ci1 s TYR 22 Cb -0.01 -3.52 1.54 0.00 -0.40 0.00 0.00 41.96 39.57 3ci1 s TYR 22 CO 0.01 -2.46 2.07 0.87 -1.57 0.00 0.00 175.55 174.47 3ci1 h LYS 23 N 0.51 0.00 -0.10 -0.62 1.57 -1.36 -1.58 116.57 114.99 3ci1 h LYS 23 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3ci1 h LYS 23 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3ci1 h LYS 23 CO 0.53 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 3ci1 n ASN 24 N -3.33 1.83 -4.62 0.86 6.94 -1.26 -4.35 115.26 111.33 3ci1 n ASN 24 Ca -0.01 -1.66 -0.44 0.00 -0.02 0.00 0.00 54.58 52.45 3ci1 n ASN 24 Cb 0.25 -0.06 -0.01 0.00 -2.36 0.00 0.00 39.78 37.60 3ci1 n ASN 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3ci1 n ASP 25 N 0.43 1.76 -0.10 0.53 -0.08 -0.60 -4.72 116.55 113.77 3ci1 n ASP 25 Ca 0.17 1.18 0.23 0.00 -1.51 0.00 0.00 54.79 54.87 3ci1 n ASP 25 Cb 0.38 -1.34 0.68 0.00 2.34 0.00 0.00 41.12 43.18 3ci1 n ASP 25 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ci1 h PRO 26 N 2.31 0.06 -0.16 -0.67 0.13 -1.92 -0.51 132.00 131.25 3ci1 h PRO 26 Ca -0.42 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3ci1 h PRO 26 Cb 1.32 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3ci1 h PRO 26 CO 0.62 0.04 -0.08 -0.09 -0.23 0.00 0.00 178.00 178.27 3ci1 h ARG 27 N 0.06 0.33 -0.55 0.86 2.43 -1.92 -1.15 114.38 114.43 3ci1 h ARG 27 Ca 0.35 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3ci1 h ARG 27 Cb 1.28 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3ci1 h ARG 27 CO -0.03 0.65 0.08 0.28 -1.51 0.00 0.00 179.97 179.45 3ci1 h VAL 28 N -0.00 1.24 -0.56 0.20 2.07 -1.62 -1.87 116.25 115.71 3ci1 h VAL 28 Ca 0.03 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 3ci1 h VAL 28 Cb 0.55 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3ci1 h VAL 28 CO 0.02 0.34 0.08 0.00 0.02 0.00 0.00 177.57 178.03 3ci1 h ALA 29 N 1.25 1.07 0.22 1.67 0.00 -1.08 -0.58 119.26 121.82 3ci1 h ALA 29 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ci1 h ALA 29 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ci1 h ALA 29 CO 0.01 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.75 3ci1 h ALA 30 N 1.22 -0.30 0.00 0.00 0.00 -0.44 0.93 119.26 120.67 3ci1 h ALA 30 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ci1 h ALA 30 Cb 0.40 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ci1 h ALA 30 CO 0.01 -0.56 -0.09 0.10 0.00 0.00 0.00 179.25 178.71 3ci1 h TYR 31 N -0.52 0.00 -0.70 0.00 -0.00 -1.40 -2.32 116.97 112.03 3ci1 h TYR 31 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.64 3ci1 h TYR 31 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.09 3ci1 h TYR 31 CO -0.00 0.09 0.22 0.78 -0.00 0.00 0.00 178.16 179.25 3ci1 h GLY 32 N 3.59 1.17 1.35 0.10 0.00 -0.90 -0.75 103.07 107.62 3ci1 h GLY 32 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 3ci1 h GLY 32 CO 0.01 0.65 -0.31 0.83 0.00 0.00 0.00 176.54 177.72 3ci1 h GLU 33 N 1.03 0.74 -0.88 4.80 4.39 -0.54 -1.14 114.58 122.98 3ci1 h GLU 33 Ca 0.23 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.60 3ci1 h GLU 33 Cb 0.30 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3ci1 h GLU 33 CO -0.01 0.95 0.58 0.28 -1.16 0.00 0.00 179.01 179.65 3ci1 h VAL 34 N 0.62 1.21 -0.41 3.13 2.07 -1.23 0.29 116.25 121.94 3ci1 h VAL 34 Ca 0.07 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3ci1 h VAL 34 Cb 0.83 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3ci1 h VAL 34 CO 0.07 0.22 -0.03 -0.78 0.02 0.00 0.00 177.57 177.06 3ci1 h ASP 35 N 1.18 0.74 -0.66 0.57 3.58 -0.69 0.21 116.42 121.35 3ci1 h ASP 35 Ca 0.33 -0.33 0.01 0.00 0.42 0.00 0.00 57.03 57.46 3ci1 h ASP 35 Cb -0.12 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.70 3ci1 h ASP 35 CO -0.07 0.89 0.44 -0.08 -2.88 0.00 0.00 179.24 177.53 3ci1 h GLU 36 N 0.58 0.87 -0.44 0.28 4.81 -0.91 -0.78 114.58 118.97 3ci1 h GLU 36 Ca 0.11 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3ci1 h GLU 36 Cb 0.53 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3ci1 h GLU 36 CO 0.03 0.57 0.25 1.25 -0.73 0.00 0.00 179.01 180.38 3ci1 h LEU 37 N 0.89 0.38 -0.43 1.64 5.85 -0.61 -1.07 115.31 121.96 3ci1 h LEU 37 Ca 0.24 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3ci1 h LEU 37 Cb -0.10 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3ci1 h LEU 37 CO -0.05 0.27 0.20 -1.13 -0.34 0.00 0.00 178.44 177.39 3ci1 h ASN 38 N 0.49 0.28 -0.63 1.25 -0.00 -0.53 0.13 115.58 116.58 3ci1 h ASN 38 Ca 0.18 0.03 0.01 0.00 -0.00 0.00 0.00 56.30 56.52 3ci1 h ASN 38 Cb 0.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 38.32 38.31 3ci1 h ASN 38 CO -0.10 0.20 0.41 0.28 -0.00 0.00 0.00 177.43 178.22 3ci1 h SER 39 N 0.41 0.69 -0.79 1.15 0.02 -1.02 -1.70 113.55 112.32 3ci1 h SER 39 Ca 0.19 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3ci1 h SER 39 Cb 0.11 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 3ci1 h SER 39 CO -0.14 0.49 0.50 -0.25 -1.14 0.00 0.00 176.83 176.29 3ci1 h TRP 40 N 0.82 0.93 -0.66 3.45 2.91 -0.15 0.03 115.95 123.28 3ci1 h TRP 40 Ca 0.24 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 3ci1 h TRP 40 Cb -0.06 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.25 3ci1 h TRP 40 CO -0.04 0.53 0.39 0.28 -1.03 0.00 0.00 178.44 178.57 3ci1 h VAL 41 N 0.96 1.19 -0.40 2.65 2.07 -0.46 0.35 116.25 122.62 3ci1 h VAL 41 Ca 0.32 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3ci1 h VAL 41 Cb 0.03 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3ci1 h VAL 41 CO -0.12 0.20 0.23 1.23 0.02 0.00 0.00 177.57 179.13 3ci1 h GLY 42 N 0.89 0.56 0.74 2.17 0.00 -0.83 0.12 103.07 106.71 3ci1 h GLY 42 Ca 0.23 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.44 3ci1 h GLY 42 CO -0.04 0.14 0.33 -1.82 0.00 0.00 0.00 176.54 175.15 3ci1 h TYR 43 N 0.46 0.61 -0.47 5.60 3.20 -0.37 -1.67 116.97 124.32 3ci1 h TYR 43 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ci1 h TYR 43 Cb 0.03 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3ci1 h TYR 43 CO -0.08 0.31 0.30 1.15 -1.64 0.00 0.00 178.16 178.20 3ci1 h THR 44 N 0.63 1.10 -0.20 1.81 2.02 0.19 -1.84 112.91 116.62 3ci1 h THR 44 Ca 0.26 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3ci1 h THR 44 Cb 0.13 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3ci1 h THR 44 CO -0.15 0.11 0.07 0.50 0.37 0.00 0.00 175.52 176.42 3ci1 h LYS 45 N 0.62 0.27 0.00 6.66 3.64 -0.37 -1.18 116.57 126.20 3ci1 h LYS 45 Ca 0.18 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3ci1 h LYS 45 Cb -0.05 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3ci1 h LYS 45 CO -0.05 0.24 0.00 -1.13 -2.27 0.00 0.00 179.45 176.23 3ci1 n SER 46 N -4.45 0.17 -0.43 4.20 3.41 -0.66 -2.56 113.62 113.30 3ci1 n SER 46 Ca -0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3ci1 n SER 46 Cb 0.12 -0.57 0.31 0.00 -0.26 0.00 0.00 64.21 63.81 3ci1 n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ci1 n LEU 47 N -1.68 1.55 -4.73 1.04 4.77 -0.45 -4.97 117.00 112.54 3ci1 n LEU 47 Ca 0.04 -0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 55.11 3ci1 n LEU 47 Cb 0.22 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3ci1 n LEU 47 CO 0.18 0.28 0.97 -0.38 -1.33 0.00 0.00 177.39 177.10 3ci1 n ILE 48 N -0.11 2.51 -4.21 -0.08 2.08 -1.06 -4.79 119.36 113.71 3ci1 n ILE 48 Ca 0.13 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.84 3ci1 n ILE 48 Cb 0.40 -1.69 -0.03 0.00 -0.75 0.00 0.00 39.64 37.57 3ci1 n ILE 48 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 3ci1 n ASN 49 N 0.17 0.91 0.28 4.38 0.23 -1.26 -4.98 115.26 114.99 3ci1 n ASN 49 Ca 0.05 -1.94 0.15 0.00 -0.53 0.00 0.00 54.58 52.31 3ci1 n ASN 49 Cb 0.40 0.48 0.82 0.00 -2.08 0.00 0.00 39.78 39.40 3ci1 n ASN 49 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ci1 h SER 50 N 0.72 0.00 1.25 0.53 4.64 -2.01 -1.50 113.55 117.19 3ci1 h SER 50 Ca -0.13 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.07 3ci1 h SER 50 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3ci1 h SER 50 CO 0.21 0.07 -0.57 0.45 -0.87 0.00 0.00 176.83 176.12 3ci1 h HIS 51 N 0.00 0.00 -0.14 4.77 3.86 -1.96 -3.35 115.15 118.33 3ci1 h HIS 51 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ci1 h HIS 51 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3ci1 h HIS 51 CO 0.00 0.57 0.00 0.25 0.86 0.00 0.00 177.93 179.61 3ci1 n THR 52 N -3.32 1.29 -0.26 2.45 -2.24 -0.76 -4.70 114.28 106.74 3ci1 n THR 52 Ca 0.01 -1.30 0.21 0.00 -2.27 0.00 0.00 64.05 60.70 3ci1 n THR 52 Cb 0.73 0.30 0.52 0.00 -2.10 0.00 0.00 70.33 69.78 3ci1 n THR 52 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ci1 h GLN 53 N 0.85 0.37 0.00 -0.78 5.75 -1.45 -1.76 115.11 118.09 3ci1 h GLN 53 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3ci1 h GLN 53 Cb 0.76 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3ci1 h GLN 53 CO 0.03 0.24 0.06 -0.39 -2.65 0.00 0.00 178.83 176.12 3ci1 h VAL 54 N 0.38 0.00 -0.00 2.39 -1.51 -1.89 -1.44 116.25 114.18 3ci1 h VAL 54 Ca 0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.97 3ci1 h VAL 54 Cb 1.30 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3ci1 h VAL 54 CO -0.19 0.00 -0.42 0.18 -1.23 0.00 0.00 177.57 175.91 3ci1 n LEU 55 N -2.85 0.72 0.00 4.19 4.77 -0.66 -4.57 117.00 118.60 3ci1 n LEU 55 Ca -0.02 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 3ci1 n LEU 55 Cb 0.12 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 3ci1 n LEU 55 CO 0.16 0.15 0.72 -1.28 -1.33 0.00 0.00 177.39 175.82 3ci1 h SER 56 N 0.46 0.02 -0.65 -1.43 0.87 -1.41 -3.05 113.55 108.36 3ci1 h SER 56 Ca 0.00 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3ci1 h SER 56 Cb 0.50 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 3ci1 h SER 56 CO 0.00 0.33 0.40 0.78 -0.53 0.00 0.00 176.83 177.81 3ci1 h ASN 57 N -0.29 0.78 0.43 6.23 2.35 -1.80 -2.41 115.58 120.86 3ci1 h ASN 57 Ca 0.00 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 3ci1 h ASN 57 Cb 0.32 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3ci1 h ASN 57 CO 0.00 0.61 -0.29 1.05 -1.65 0.00 0.00 177.43 177.15 3ci1 h GLU 58 N 0.89 0.00 -0.32 0.81 4.11 -1.85 -1.06 114.58 117.16 3ci1 h GLU 58 Ca 0.23 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.51 3ci1 h GLU 58 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3ci1 h GLU 58 CO -0.04 0.29 -0.42 -0.07 0.07 0.00 0.00 179.01 178.84 3ci1 h LEU 59 N 0.00 0.86 -0.66 3.06 3.38 -1.33 -0.75 115.31 119.87 3ci1 h LEU 59 Ca -0.00 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 3ci1 h LEU 59 Cb 0.58 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ci1 h LEU 59 CO 0.04 1.16 0.06 -0.08 0.09 0.00 0.00 178.44 179.70 3ci1 h GLU 60 N 0.65 1.10 -0.78 1.13 4.81 -1.02 -2.27 114.58 118.20 3ci1 h GLU 60 Ca 0.05 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3ci1 h GLU 60 Cb 0.98 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 3ci1 h GLU 60 CO 0.09 1.04 0.49 1.49 -0.73 0.00 0.00 179.01 181.39 3ci1 h GLU 61 N 1.02 1.05 -0.92 1.92 4.57 -0.98 -2.20 114.58 119.03 3ci1 h GLU 61 Ca 0.19 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3ci1 h GLU 61 Cb 0.50 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 3ci1 h GLU 61 CO 0.02 0.73 0.61 0.82 -1.18 0.00 0.00 179.01 180.00 3ci1 h ILE 62 N 1.06 1.19 -0.89 2.32 2.04 -0.83 -1.61 117.51 120.80 3ci1 h ILE 62 Ca 0.28 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.80 3ci1 h ILE 62 Cb -0.07 -0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 35.84 3ci1 h ILE 62 CO -0.06 0.22 0.58 1.56 0.00 0.00 0.00 178.15 180.45 3ci1 h GLN 63 N 1.21 0.96 -0.32 2.37 4.20 -0.83 0.02 115.11 122.71 3ci1 h GLN 63 Ca 0.35 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 3ci1 h GLN 63 Cb -0.07 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 3ci1 h GLN 63 CO -0.10 0.64 0.04 1.96 -0.67 0.00 0.00 178.83 180.69 3ci1 h GLN 64 N 0.99 0.54 -0.32 1.46 1.08 -0.93 -2.57 115.11 115.36 3ci1 h GLN 64 Ca 0.39 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 57.39 3ci1 h GLN 64 Cb 0.23 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3ci1 h GLN 64 CO -0.15 0.64 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.30 3ci1 h LEU 65 N 0.36 0.46 -0.82 1.46 3.38 -0.83 -2.72 115.31 116.60 3ci1 h LEU 65 Ca 0.09 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3ci1 h LEU 65 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3ci1 h LEU 65 CO 0.01 0.53 -0.50 -0.07 0.09 0.00 0.00 178.44 178.50 3ci1 h LEU 66 N 0.47 0.26 -0.59 1.67 3.38 -0.82 -0.63 115.31 119.04 3ci1 h LEU 66 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ci1 h LEU 66 Cb 0.31 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3ci1 h LEU 66 CO 0.01 0.71 0.35 -0.26 0.09 0.00 0.00 178.44 179.34 3ci1 h PHE 67 N 0.19 0.78 -0.46 1.13 -1.00 -1.18 -1.08 116.94 115.33 3ci1 h PHE 67 Ca 0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3ci1 h PHE 67 Cb 0.94 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 3ci1 h PHE 67 CO 0.02 0.54 0.30 -0.44 -1.61 0.00 0.00 178.31 177.12 3ci1 h ASP 68 N 0.79 0.53 -0.08 2.17 3.32 -1.16 -0.86 116.42 121.13 3ci1 h ASP 68 Ca 0.21 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ci1 h ASP 68 Cb -0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3ci1 h ASP 68 CO -0.04 0.40 0.04 0.00 -1.72 0.00 0.00 179.24 177.91 3ci1 h GLY 70 N 0.08 1.03 0.29 0.00 0.00 -0.99 -1.90 103.07 101.58 3ci1 h GLY 70 Ca 0.03 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 46.99 3ci1 h GLY 70 CO -0.02 0.43 -0.02 0.84 0.00 0.00 0.00 176.54 177.76 3ci1 h HIS 71 N 0.97 -0.07 -0.14 5.60 6.17 -1.01 -0.53 115.15 126.14 3ci1 h HIS 71 Ca 0.25 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 61.19 3ci1 h HIS 71 Cb 0.01 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 3ci1 h HIS 71 CO 0.01 -0.11 -0.61 -0.44 0.71 0.00 0.00 177.93 177.49 3ci1 h ASP 72 N 0.08 0.57 -0.16 3.26 5.19 -1.30 -2.51 116.42 121.54 3ci1 h ASP 72 Ca 0.20 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.24 3ci1 h ASP 72 Cb 0.30 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.63 3ci1 h ASP 72 CO -0.36 1.04 -0.02 -0.07 -3.12 0.00 0.00 179.24 176.72 3ci1 h LEU 73 N 0.37 0.39 0.00 1.55 3.38 -1.02 -1.61 115.31 118.36 3ci1 h LEU 73 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ci1 h LEU 73 Cb 1.17 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ci1 h LEU 73 CO 0.11 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.11 3ci1 n ALA 74 N -2.48 1.93 -3.20 1.53 0.00 -0.24 -4.79 120.51 113.26 3ci1 n ALA 74 Ca 0.01 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 3ci1 n ALA 74 Cb 0.23 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 3ci1 n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ci1 s THR 75 N -2.94 3.94 0.55 0.00 2.01 -0.61 -2.11 115.64 116.48 3ci1 s THR 75 Ca 0.11 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 3ci1 s THR 75 Cb 0.13 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3ci1 s THR 75 CO 0.35 0.18 1.21 -2.84 -0.69 0.00 0.00 174.62 172.83 3ci1 s PRO 76 N 1.52 3.24 0.48 4.92 0.02 -1.26 -4.89 135.00 139.02 3ci1 s PRO 76 Ca 0.04 1.84 0.26 0.00 0.02 0.00 0.00 61.00 63.16 3ci1 s PRO 76 Cb -0.16 -2.10 1.15 0.00 0.02 0.00 0.00 34.50 33.41 3ci1 s PRO 76 CO 0.02 -0.99 1.93 0.00 -0.33 0.00 0.00 177.00 177.62 3ci1 h ALA 77 N 1.30 1.11 -0.44 -1.55 0.00 -1.94 -2.58 119.26 115.16 3ci1 h ALA 77 Ca -0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3ci1 h ALA 77 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ci1 h ALA 77 CO 0.57 0.22 0.01 -0.40 0.00 0.00 0.00 179.25 179.65 3ci1 n ASP 78 N -3.47 4.90 -4.61 0.00 5.68 -1.26 -4.92 116.55 112.88 3ci1 n ASP 78 Ca -0.01 -2.99 -0.43 0.00 -0.50 0.00 0.00 54.79 50.87 3ci1 n ASP 78 Cb 0.35 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.68 3ci1 n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ci1 s ASP 79 N -1.31 6.43 0.56 -1.12 -1.08 -0.97 -4.91 116.67 114.27 3ci1 s ASP 79 Ca 0.49 0.91 0.31 0.00 -0.52 0.00 0.00 52.55 53.74 3ci1 s ASP 79 Cb 0.39 -2.54 1.66 0.00 -1.46 0.00 0.00 42.92 40.96 3ci1 s ASP 79 CO 0.13 -1.34 2.15 -0.33 0.52 0.00 0.00 175.17 176.30 3ci1 h GLU 80 N 10.28 0.00 0.00 4.34 4.39 -1.91 -3.06 114.58 128.63 3ci1 h GLU 80 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 3ci1 h GLU 80 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3ci1 h GLU 80 CO 1.07 0.07 -1.18 0.54 -1.16 0.00 0.00 179.01 178.35 3ci1 n ARG 81 N -3.57 0.51 -4.22 2.33 3.00 -1.26 -4.94 116.66 108.50 3ci1 n ARG 81 Ca -0.02 0.02 -0.18 0.00 -0.01 0.00 0.00 57.85 57.66 3ci1 n ARG 81 Cb 0.19 -1.69 -0.12 0.00 0.00 0.00 0.00 32.46 30.83 3ci1 n ARG 81 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3ci1 s HIS 82 N -3.34 1.13 0.26 -1.55 3.76 -1.16 -5.11 115.29 109.29 3ci1 s HIS 82 Ca -0.00 -0.41 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 3ci1 s HIS 82 Cb 0.12 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 33.10 3ci1 s HIS 82 CO 0.81 0.03 -0.11 -1.12 -0.85 0.00 0.00 174.74 173.50 3ci1 s SER 83 N -1.45 2.88 0.21 1.40 0.01 -1.26 -4.70 113.70 110.79 3ci1 s SER 83 Ca -0.01 -1.11 -0.30 0.00 1.31 0.00 0.00 55.95 55.84 3ci1 s SER 83 Cb -0.09 -0.19 -0.08 0.00 0.21 0.00 0.00 66.02 65.87 3ci1 s SER 83 CO 0.02 -0.22 1.14 -0.36 0.41 0.00 0.00 173.24 174.22 3ci1 s PHE 84 N -2.90 3.52 -0.12 2.43 0.08 -1.26 -4.93 117.98 114.81 3ci1 s PHE 84 Ca 0.27 1.56 0.10 0.00 0.12 0.00 0.00 56.93 58.98 3ci1 s PHE 84 Cb 0.01 -3.34 -0.14 0.00 -0.57 0.00 0.00 43.02 38.98 3ci1 s PHE 84 CO 0.11 -0.82 0.26 0.36 -0.10 0.00 0.00 175.22 175.02 3ci1 n LYS 85 N 2.13 1.17 -2.82 0.44 2.85 -1.26 -5.00 118.16 115.68 3ci1 n LYS 85 Ca 0.02 -0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 56.80 3ci1 n LYS 85 Cb 0.45 -1.16 -0.03 0.00 -0.65 0.00 0.00 35.03 33.64 3ci1 n LYS 85 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 3ci1 s PHE 86 N -2.47 3.49 -0.18 5.58 5.36 -1.26 -5.03 117.98 123.47 3ci1 s PHE 86 Ca -0.02 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 3ci1 s PHE 86 Cb 0.06 -3.07 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 3ci1 s PHE 86 CO 0.39 -0.18 -0.08 0.15 -1.46 0.00 0.00 175.22 174.04 3ci1 s LYS 87 N 1.88 3.39 0.24 10.12 1.02 -1.26 -4.84 119.74 130.28 3ci1 s LYS 87 Ca 0.43 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.81 3ci1 s LYS 87 Cb -0.18 -2.83 0.26 0.00 -0.52 0.00 0.00 37.83 34.56 3ci1 s LYS 87 CO 0.16 0.00 1.57 -0.56 -0.92 0.00 0.00 175.35 175.60 3ci1 h GLN 88 N 7.43 0.27 -0.15 1.68 -0.00 -1.96 -3.39 115.11 118.99 3ci1 h GLN 88 Ca -0.35 -0.18 0.01 0.00 -0.00 0.00 0.00 58.65 58.14 3ci1 h GLN 88 Cb 1.18 0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 28.67 3ci1 h GLN 88 CO 0.59 0.77 -0.09 0.93 -0.00 0.00 0.00 178.83 181.03 3ci1 h GLU 89 N 0.21 -0.00 -0.14 0.06 3.07 -1.95 -0.36 114.58 115.46 3ci1 h GLU 89 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3ci1 h GLU 89 Cb 1.07 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3ci1 h GLU 89 CO 0.09 -0.00 -0.17 1.96 -1.40 0.00 0.00 179.01 179.49 3ci1 h GLN 90 N -0.00 0.37 -0.94 2.33 7.50 -2.01 -2.17 115.11 120.19 3ci1 h GLN 90 Ca 0.02 -0.21 0.12 0.00 0.50 0.00 0.00 58.65 59.09 3ci1 h GLN 90 Cb 0.06 0.01 -0.08 0.00 0.05 0.00 0.00 27.48 27.53 3ci1 h GLN 90 CO -0.14 0.77 0.60 -1.35 -1.50 0.00 0.00 178.83 177.21 3ci1 h PRO 91 N -0.02 0.83 0.01 1.46 0.11 -1.75 -1.24 132.00 131.40 3ci1 h PRO 91 Ca 0.02 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.83 3ci1 h PRO 91 Cb 0.72 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.65 3ci1 h PRO 91 CO 0.04 0.55 -1.00 1.15 -0.21 0.00 0.00 178.00 178.53 3ci1 h THR 92 N 0.86 1.35 -0.63 -1.15 2.02 -0.91 -2.01 112.91 112.44 3ci1 h THR 92 Ca 0.46 -2.39 -0.07 0.00 0.77 0.00 0.00 66.41 65.18 3ci1 h THR 92 Cb 0.56 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.37 3ci1 h THR 92 CO -0.23 0.72 0.11 0.58 0.37 0.00 0.00 175.52 177.08 3ci1 h VAL 93 N 0.29 1.25 -0.56 3.16 2.07 -1.22 -0.43 116.25 120.82 3ci1 h VAL 93 Ca -0.10 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3ci1 h VAL 93 Cb 1.64 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3ci1 h VAL 93 CO 0.18 0.37 0.34 -0.25 0.02 0.00 0.00 177.57 178.23 3ci1 h TRP 94 N 0.96 0.64 -0.32 1.57 7.01 -1.16 -0.30 115.95 124.36 3ci1 h TRP 94 Ca 0.19 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 3ci1 h TRP 94 Cb 0.40 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3ci1 h TRP 94 CO 0.03 0.38 0.17 -0.07 -2.79 0.00 0.00 178.44 176.16 3ci1 h LEU 95 N 0.68 0.40 -1.13 0.65 3.38 -1.02 -2.93 115.31 115.34 3ci1 h LEU 95 Ca 0.22 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3ci1 h LEU 95 Cb -0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3ci1 h LEU 95 CO -0.09 0.38 0.59 -0.33 0.09 0.00 0.00 178.44 179.09 3ci1 h GLU 96 N 0.40 1.06 -0.36 1.13 5.08 -0.55 -0.17 114.58 121.17 3ci1 h GLU 96 Ca 0.11 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3ci1 h GLU 96 Cb 0.07 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3ci1 h GLU 96 CO -0.02 0.70 -0.16 0.93 -1.00 0.00 0.00 179.01 179.47 3ci1 h GLU 97 N 1.09 0.66 -0.18 2.33 3.07 -0.96 0.67 114.58 121.26 3ci1 h GLU 97 Ca 0.37 -0.23 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 3ci1 h GLU 97 Cb 0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3ci1 h GLU 97 CO -0.13 0.79 -0.41 0.87 -1.40 0.00 0.00 179.01 178.73 3ci1 h LYS 98 N 0.59 0.60 -0.22 2.33 1.57 -1.23 0.04 116.57 120.27 3ci1 h LYS 98 Ca 0.10 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3ci1 h LYS 98 Cb 0.61 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 3ci1 h LYS 98 CO 0.04 1.02 -0.04 0.82 -0.57 0.00 0.00 179.45 180.73 3ci1 h ILE 99 N 0.27 0.81 0.00 1.86 2.04 -0.81 0.14 117.51 121.82 3ci1 h ILE 99 Ca 0.00 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3ci1 h ILE 99 Cb 1.02 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3ci1 h ILE 99 CO 0.09 0.00 -0.28 0.44 0.00 0.00 0.00 178.15 178.41 3ci1 h ASP 100 N 0.02 -0.82 -0.22 1.72 3.32 -0.82 0.32 116.42 119.93 3ci1 h ASP 100 Ca 0.10 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.28 3ci1 h ASP 100 Cb 0.15 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3ci1 h ASP 100 CO -0.21 -0.34 0.10 -1.13 -1.72 0.00 0.00 179.24 175.94 3ci1 h ASN 101 N -0.42 0.15 -0.17 6.45 -1.24 -0.76 -1.35 115.58 118.23 3ci1 h ASN 101 Ca 0.06 0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.94 3ci1 h ASN 101 Cb 0.51 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 3ci1 h ASN 101 CO -0.24 0.12 -0.41 1.88 -1.29 0.00 0.00 177.43 177.48 3ci1 h TYR 102 N 0.22 0.86 -0.65 0.67 0.05 -0.57 -2.10 116.97 115.45 3ci1 h TYR 102 Ca 0.09 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 3ci1 h TYR 102 Cb 0.03 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3ci1 h TYR 102 CO -0.10 1.01 0.39 1.15 -1.05 0.00 0.00 178.16 179.56 3ci1 h THR 103 N 0.58 1.19 -0.43 -2.88 2.02 -0.24 -3.02 112.91 110.14 3ci1 h THR 103 Ca 0.04 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3ci1 h THR 103 Cb 0.96 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3ci1 h THR 103 CO 0.09 0.20 0.16 1.56 0.37 0.00 0.00 175.52 177.90 3ci1 h GLN 104 N 0.89 0.65 -0.10 6.66 7.50 -0.98 -3.28 115.11 126.46 3ci1 h GLN 104 Ca 0.23 -0.12 -0.16 0.00 0.50 0.00 0.00 58.65 59.10 3ci1 h GLN 104 Cb -0.03 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.39 3ci1 h GLN 104 CO -0.04 0.61 -0.63 -0.24 -1.50 0.00 0.00 178.83 177.02 3ci1 h VAL 105 N 0.55 1.37 -3.90 -0.54 3.04 -1.36 -3.46 116.25 111.95 3ci1 h VAL 105 Ca 0.14 -1.99 -0.50 0.00 -1.01 0.00 0.00 66.70 63.35 3ci1 h VAL 105 Cb 0.21 1.98 0.04 0.00 -2.01 0.00 0.00 31.29 31.51 3ci1 h VAL 105 CO -0.01 0.60 0.23 0.68 -1.01 0.00 0.00 177.57 178.06 3ci1 s VAL 106 N -3.77 4.80 0.29 1.51 -7.23 -1.15 -4.99 120.40 109.86 3ci1 s VAL 106 Ca -0.05 0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 60.39 3ci1 s VAL 106 Cb 0.11 -3.84 -0.11 0.00 0.56 0.00 0.00 36.38 33.11 3ci1 s VAL 106 CO 0.82 -0.89 1.52 -2.84 -0.31 0.00 0.00 175.10 173.40 3ci1 s PRO 107 N -4.70 4.18 0.28 4.82 0.02 -1.26 -4.94 135.00 133.41 3ci1 s PRO 107 Ca 0.51 2.47 -0.29 0.00 0.02 0.00 0.00 61.00 63.71 3ci1 s PRO 107 Cb -0.10 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.27 3ci1 s PRO 107 CO 0.45 -0.53 1.27 0.00 -0.33 0.00 0.00 177.00 177.86 3ci1 s ALA 108 N -0.17 3.49 -0.05 -1.55 0.00 -1.26 -5.05 121.76 117.17 3ci1 s ALA 108 Ca 0.60 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.78 3ci1 s ALA 108 Cb -0.45 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 3ci1 s ALA 108 CO 0.48 -0.53 -0.24 0.14 0.00 0.00 0.00 175.76 175.61 3ci1 s VAL 109 N -0.78 2.18 0.31 0.00 -7.23 -1.26 -5.01 120.40 108.61 3ci1 s VAL 109 Ca 0.50 -1.03 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 3ci1 s VAL 109 Cb -0.38 -1.79 0.31 0.00 0.56 0.00 0.00 36.38 35.08 3ci1 s VAL 109 CO 0.47 0.57 1.77 0.07 -0.31 0.00 0.00 175.10 177.67 3ci1 h LYS 110 N 5.88 0.69 -6.16 4.82 -0.00 -1.97 -3.45 116.57 116.37 3ci1 h LYS 110 Ca -0.36 -0.04 -0.54 0.00 -0.00 0.00 0.00 60.65 59.71 3ci1 h LYS 110 Cb 1.16 -0.16 -0.05 0.00 -0.00 0.00 0.00 32.23 33.19 3ci1 h LYS 110 CO 0.48 0.46 -0.52 0.15 -0.00 0.00 0.00 179.45 180.02 3ci1 s LYS 111 N -5.82 3.08 0.27 0.07 1.02 -1.26 -0.56 119.74 116.54 3ci1 s LYS 111 Ca -0.11 -0.84 -0.29 0.00 0.02 0.00 0.00 55.97 54.74 3ci1 s LYS 111 Cb 0.25 -2.72 -0.14 0.00 -0.52 0.00 0.00 37.83 34.70 3ci1 s LYS 111 CO 0.80 0.47 1.17 1.19 -0.92 0.00 0.00 175.35 178.06 3ci1 n PHE 112 N -0.71 1.65 -3.85 3.18 0.99 -1.26 -4.88 117.46 112.59 3ci1 n PHE 112 Ca -0.08 0.62 -0.30 0.00 -0.00 0.00 0.00 57.45 57.68 3ci1 n PHE 112 Cb 0.56 -2.33 -0.04 0.00 -1.00 0.00 0.00 39.48 36.67 3ci1 n PHE 112 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 3ci1 s ILE 113 N -0.72 5.32 0.17 4.37 -4.36 -1.26 -0.41 121.20 124.31 3ci1 s ILE 113 Ca 0.62 -0.33 -0.31 0.00 -0.26 0.00 0.00 60.65 60.37 3ci1 s ILE 113 Cb -0.69 -3.65 -0.10 0.00 1.25 0.00 0.00 42.46 39.27 3ci1 s ILE 113 CO 0.57 0.06 1.54 -0.76 0.24 0.00 0.00 174.94 176.59 3ci1 s LEU 114 N -2.70 4.37 -0.69 0.37 1.43 0.91 -4.70 118.68 117.67 3ci1 s LEU 114 Ca 0.37 2.61 -0.27 0.00 -1.03 0.00 0.00 54.13 55.81 3ci1 s LEU 114 Cb -0.12 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.51 3ci1 s LEU 114 CO 0.27 -0.80 1.56 -2.16 0.23 0.00 0.00 176.35 175.45 3ci1 s PRO 115 N 0.94 2.93 0.00 1.29 0.04 -1.26 -4.68 135.00 134.27 3ci1 s PRO 115 Ca 0.68 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.83 3ci1 s PRO 115 Cb -0.43 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 29.78 3ci1 s PRO 115 CO 0.33 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.34 3ci1 n GLY 116 N 5.60 -1.28 0.00 0.56 0.00 -1.26 -4.93 105.19 103.88 3ci1 n GLY 116 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3ci1 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ci1 n GLY 117 N -0.00 0.28 3.73 -0.02 0.00 -1.26 -4.49 105.19 103.43 3ci1 n GLY 117 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 3ci1 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ci1 s THR 118 N 0.00 2.35 0.25 2.61 -4.23 -1.26 -4.80 115.64 110.55 3ci1 s THR 118 Ca 0.00 0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 3ci1 s THR 118 Cb 0.00 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.38 3ci1 s THR 118 CO 0.00 -0.15 1.92 -0.61 -0.54 0.00 0.00 174.62 175.24 3ci1 h GLN 119 N -1.59 1.28 -0.18 3.99 4.15 -1.97 -0.89 115.11 119.90 3ci1 h GLN 119 Ca -0.51 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 58.75 3ci1 h GLN 119 Cb 1.31 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 3ci1 h GLN 119 CO 0.58 0.85 -0.20 1.25 -1.93 0.00 0.00 178.83 179.38 3ci1 h LEU 120 N 1.32 0.48 -0.77 -2.39 5.85 -1.92 0.38 115.31 118.26 3ci1 h LEU 120 Ca 0.36 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3ci1 h LEU 120 Cb -0.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3ci1 h LEU 120 CO -0.08 0.87 0.49 0.00 -0.34 0.00 0.00 178.44 179.38 3ci1 h ALA 121 N 0.62 1.00 -0.33 1.25 0.00 -1.78 0.73 119.26 120.76 3ci1 h ALA 121 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ci1 h ALA 121 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ci1 h ALA 121 CO 0.05 0.29 0.01 0.77 0.00 0.00 0.00 179.25 180.36 3ci1 h SER 122 N 0.95 0.57 -0.76 0.00 0.02 -1.09 -1.42 113.55 111.82 3ci1 h SER 122 Ca 0.31 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3ci1 h SER 122 Cb 0.01 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 3ci1 h SER 122 CO -0.11 0.73 0.51 0.00 -1.14 0.00 0.00 176.83 176.82 3ci1 h ALA 123 N 0.86 1.50 -0.26 3.77 0.00 -0.44 -0.94 119.26 123.74 3ci1 h ALA 123 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3ci1 h ALA 123 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ci1 h ALA 123 CO 0.02 0.45 -0.12 -0.07 0.00 0.00 0.00 179.25 179.52 3ci1 h LEU 124 N 0.99 0.41 -0.55 0.00 3.38 -0.51 0.36 115.31 119.40 3ci1 h LEU 124 Ca 0.29 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 3ci1 h LEU 124 Cb -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ci1 h LEU 124 CO -0.07 0.57 -0.48 0.45 0.09 0.00 0.00 178.44 179.00 3ci1 h HIS 125 N 0.40 0.74 -0.36 1.13 3.86 -0.67 0.04 115.15 120.30 3ci1 h HIS 125 Ca 0.08 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3ci1 h HIS 125 Cb 0.46 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3ci1 h HIS 125 CO 0.01 0.97 0.21 0.28 0.86 0.00 0.00 177.93 180.27 3ci1 h VAL 126 N 0.48 1.13 -0.66 2.45 2.07 -0.88 -2.06 116.25 118.79 3ci1 h VAL 126 Ca 0.02 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.31 3ci1 h VAL 126 Cb 1.02 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3ci1 h VAL 126 CO 0.09 0.13 0.33 0.00 0.02 0.00 0.00 177.57 178.14 3ci1 h ALA 127 N 1.08 0.88 -0.62 1.67 0.00 -0.63 0.11 119.26 121.75 3ci1 h ALA 127 Ca 0.13 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.19 3ci1 h ALA 127 Cb 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3ci1 h ALA 127 CO -0.02 -0.05 0.21 -0.09 0.00 0.00 0.00 179.25 179.30 3ci1 h ARG 128 N 0.58 0.36 0.00 0.00 2.43 -0.74 0.79 114.38 117.81 3ci1 h ARG 128 Ca 0.31 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.26 3ci1 h ARG 128 Cb 0.29 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3ci1 h ARG 128 CO -0.24 0.24 -1.08 1.79 -1.51 0.00 0.00 179.97 179.17 3ci1 h THR 129 N 0.37 1.26 -0.35 0.20 1.35 -0.63 -1.91 112.91 113.21 3ci1 h THR 129 Ca 0.32 -2.91 -0.14 0.00 -0.55 0.00 0.00 66.41 63.13 3ci1 h THR 129 Cb 0.43 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 3ci1 h THR 129 CO -0.34 0.72 -0.35 0.40 -0.25 0.00 0.00 175.52 175.70 3ci1 h ILE 130 N 0.00 1.28 -0.42 6.82 2.04 -0.55 -0.91 117.51 125.77 3ci1 h ILE 130 Ca -0.08 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.28 3ci1 h ILE 130 Cb 1.73 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 3ci1 h ILE 130 CO 0.10 0.50 0.27 0.74 0.00 0.00 0.00 178.15 179.76 3ci1 h THR 131 N 0.66 1.10 -0.71 -0.27 2.02 -0.76 -0.01 112.91 114.94 3ci1 h THR 131 Ca 0.06 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 3ci1 h THR 131 Cb 0.90 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3ci1 h THR 131 CO 0.08 0.10 0.28 0.03 0.37 0.00 0.00 175.52 176.39 3ci1 h ARG 132 N 0.56 1.05 -0.09 6.66 3.08 -1.21 0.17 114.38 124.60 3ci1 h ARG 132 Ca 0.15 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3ci1 h ARG 132 Cb -0.06 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3ci1 h ARG 132 CO -0.04 0.85 0.04 -0.09 -1.07 0.00 0.00 179.97 179.66 3ci1 h ARG 133 N 1.03 0.08 -0.56 0.04 2.43 -0.55 -1.68 114.38 115.17 3ci1 h ARG 133 Ca 0.24 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3ci1 h ARG 133 Cb 0.20 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3ci1 h ARG 133 CO -0.02 0.06 0.26 0.00 -1.51 0.00 0.00 179.97 178.76 3ci1 h ALA 134 N 1.05 0.72 -0.75 2.80 0.00 -0.65 -2.33 119.26 120.10 3ci1 h ALA 134 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3ci1 h ALA 134 Cb 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 3ci1 h ALA 134 CO -0.04 -0.10 0.41 1.49 0.00 0.00 0.00 179.25 181.01 3ci1 h GLU 135 N 0.49 0.70 -0.86 0.00 4.81 -0.50 0.87 114.58 120.09 3ci1 h GLU 135 Ca 0.26 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3ci1 h GLU 135 Cb 0.21 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3ci1 h GLU 135 CO -0.20 0.46 0.57 0.00 -0.73 0.00 0.00 179.01 179.11 3ci1 h ARG 136 N 0.72 1.12 -0.70 1.92 3.08 -0.80 0.27 114.38 119.99 3ci1 h ARG 136 Ca 0.35 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.27 3ci1 h ARG 136 Cb 0.30 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3ci1 h ARG 136 CO -0.23 0.74 0.16 1.96 -1.07 0.00 0.00 179.97 181.54 3ci1 h GLN 137 N 1.15 1.13 -0.53 0.04 1.08 -0.84 -0.52 115.11 116.62 3ci1 h GLN 137 Ca 0.32 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3ci1 h GLN 137 Cb -0.11 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 3ci1 h GLN 137 CO -0.08 1.00 0.23 0.82 -0.95 0.00 0.00 178.83 179.85 3ci1 h ILE 138 N 1.07 1.21 -0.59 2.54 2.04 -0.28 -1.27 117.51 122.23 3ci1 h ILE 138 Ca 0.22 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3ci1 h ILE 138 Cb 0.38 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3ci1 h ILE 138 CO 0.00 0.24 0.38 0.58 0.00 0.00 0.00 178.15 179.35 3ci1 h VAL 139 N 0.71 1.16 -0.33 1.67 2.07 -0.78 -0.07 116.25 120.68 3ci1 h VAL 139 Ca 0.18 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.45 3ci1 h VAL 139 Cb 0.16 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 3ci1 h VAL 139 CO -0.02 0.16 -0.15 -0.61 0.02 0.00 0.00 177.57 176.97 3ci1 h GLN 140 N 0.79 -0.09 0.05 1.57 4.15 -0.68 -1.34 115.11 119.55 3ci1 h GLN 140 Ca 0.21 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.66 3ci1 h GLN 140 Cb -0.07 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3ci1 h GLN 140 CO -0.04 -0.06 -0.17 1.25 -1.93 0.00 0.00 178.83 177.87 3ci1 h LEU 141 N -0.10 -0.49 -1.39 -2.39 5.85 -0.91 -2.70 115.31 113.19 3ci1 h LEU 141 Ca 0.17 0.06 0.21 0.00 0.84 0.00 0.00 57.88 59.16 3ci1 h LEU 141 Cb 0.35 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3ci1 h LEU 141 CO -0.39 -0.24 0.61 -0.03 -0.34 0.00 0.00 178.44 178.05 3ci1 h MET 142 N -0.31 0.47 0.00 1.25 4.05 -0.48 0.11 114.93 120.02 3ci1 h MET 142 Ca 0.04 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3ci1 h MET 142 Cb 0.35 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3ci1 h MET 142 CO -0.13 0.31 0.00 0.54 0.23 0.00 0.00 176.91 177.86 3ci1 n ARG 143 N -4.57 0.10 -0.00 0.39 1.74 -0.55 -3.43 116.66 110.33 3ci1 n ARG 143 Ca 0.21 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3ci1 n ARG 143 Cb 0.69 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3ci1 n ARG 143 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ci1 n GLU 144 N -1.42 2.30 -3.94 5.56 1.02 0.16 -5.09 120.64 119.23 3ci1 n GLU 144 Ca 0.06 -0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3ci1 n GLU 144 Cb 0.19 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.49 3ci1 n GLU 144 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3ci1 s GLU 145 N -2.02 0.52 -0.06 3.49 0.41 -0.03 -5.12 118.70 115.88 3ci1 s GLU 145 Ca -0.00 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 3ci1 s GLU 145 Cb 0.00 0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.52 3ci1 s GLU 145 CO 0.02 -0.12 1.27 -0.65 -0.49 0.00 0.00 175.26 175.29 3ci1 s GLN 146 N -2.32 4.31 0.40 1.61 -0.21 -1.26 -4.16 119.66 118.03 3ci1 s GLN 146 Ca -0.08 1.76 0.08 0.00 0.02 0.00 0.00 55.36 57.14 3ci1 s GLN 146 Cb -0.03 -3.60 -0.07 0.00 1.00 0.00 0.00 33.01 30.30 3ci1 s GLN 146 CO -0.03 -0.53 0.03 0.96 -2.12 0.00 0.00 175.29 173.60 3ci1 s ILE 147 N 2.51 2.15 -0.60 1.08 -4.36 -1.26 -4.16 121.20 116.55 3ci1 s ILE 147 Ca 0.58 -1.96 -0.28 0.00 -0.26 0.00 0.00 60.65 58.73 3ci1 s ILE 147 Cb -0.26 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.53 3ci1 s ILE 147 CO 0.22 -0.04 1.38 0.21 0.24 0.00 0.00 174.94 176.95 3ci1 s ASN 148 N -3.74 6.13 0.67 4.36 2.47 -1.26 -4.87 114.94 118.70 3ci1 s ASN 148 Ca 0.36 0.11 0.44 0.00 0.42 0.00 0.00 52.86 54.19 3ci1 s ASN 148 Cb 0.07 -2.55 2.42 0.00 -1.45 0.00 0.00 41.25 39.74 3ci1 s ASN 148 CO 0.19 -1.74 2.37 1.56 -3.72 0.00 0.00 177.10 175.76 3ci1 h GLN 149 N 10.84 0.00 -0.71 0.43 1.08 -1.97 -1.29 115.11 123.49 3ci1 h GLN 149 Ca -0.27 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.01 3ci1 h GLN 149 Cb 1.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 3ci1 h GLN 149 CO 1.20 0.00 0.47 -0.44 -0.95 0.00 0.00 178.83 179.11 3ci1 h ASP 150 N 0.00 0.59 -0.55 1.46 5.19 -1.89 -2.37 116.42 118.85 3ci1 h ASP 150 Ca -0.00 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.35 3ci1 h ASP 150 Cb 0.01 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 3ci1 h ASP 150 CO 0.00 0.37 0.08 0.58 -3.12 0.00 0.00 179.24 177.14 3ci1 h VAL 151 N 0.66 1.26 -0.48 -1.35 2.07 -1.55 -2.06 116.25 114.80 3ci1 h VAL 151 Ca 0.32 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3ci1 h VAL 151 Cb 0.37 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ci1 h VAL 151 CO -0.11 0.36 0.11 0.25 0.02 0.00 0.00 177.57 178.20 3ci1 h LEU 152 N 0.80 0.74 -0.09 2.57 5.85 -1.57 0.35 115.31 123.97 3ci1 h LEU 152 Ca 0.16 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3ci1 h LEU 152 Cb 0.43 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3ci1 h LEU 152 CO 0.01 0.79 -0.15 0.40 -0.34 0.00 0.00 178.44 179.16 3ci1 h ILE 153 N 0.66 0.62 -0.35 4.05 2.04 -1.33 0.20 117.51 123.39 3ci1 h ILE 153 Ca 0.15 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 3ci1 h ILE 153 Cb 0.35 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3ci1 h ILE 153 CO 0.00 0.00 0.04 0.15 0.00 0.00 0.00 178.15 178.34 3ci1 h PHE 154 N -0.20 0.64 -0.54 1.37 3.57 -1.12 -1.51 116.94 119.15 3ci1 h PHE 154 Ca 0.08 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 3ci1 h PHE 154 Cb 0.31 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3ci1 h PHE 154 CO -0.24 0.67 -0.03 0.82 -2.23 0.00 0.00 178.31 177.30 3ci1 h ILE 155 N 0.42 1.26 0.35 1.41 1.08 -0.78 0.12 117.51 121.37 3ci1 h ILE 155 Ca 0.10 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.44 3ci1 h ILE 155 Cb 0.39 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 3ci1 h ILE 155 CO 0.01 0.41 -0.40 -1.13 -0.69 0.00 0.00 178.15 176.35 3ci1 h ASN 156 N 0.87 -1.10 -0.81 1.72 -1.24 -0.46 -2.86 115.58 111.70 3ci1 h ASN 156 Ca 0.15 0.10 0.07 0.00 0.71 0.00 0.00 56.30 57.34 3ci1 h ASN 156 Cb 0.55 0.38 -0.05 0.00 0.73 0.00 0.00 38.32 39.93 3ci1 h ASN 156 CO 0.03 -0.54 0.53 -0.09 -1.29 0.00 0.00 177.43 176.07 3ci1 h ARG 157 N -0.79 0.82 -0.64 6.67 9.65 -0.98 -2.86 114.38 126.25 3ci1 h ARG 157 Ca -0.02 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.87 3ci1 h ARG 157 Cb 0.72 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 3ci1 h ARG 157 CO -0.09 0.54 0.42 1.25 2.80 0.00 0.00 179.97 184.89 3ci1 h LEU 158 N 0.84 0.58 -0.81 3.80 5.85 -0.53 -0.76 115.31 124.27 3ci1 h LEU 158 Ca 0.35 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 3ci1 h LEU 158 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3ci1 h LEU 158 CO -0.13 0.38 -0.57 0.77 -0.34 0.00 0.00 178.44 178.54 3ci1 h SER 159 N 0.66 0.00 -0.61 1.25 4.64 -1.46 -0.26 113.55 117.77 3ci1 h SER 159 Ca 0.27 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 3ci1 h SER 159 Cb 0.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3ci1 h SER 159 CO -0.08 0.57 0.10 0.44 -0.87 0.00 0.00 176.83 176.99 3ci1 h ASP 160 N 0.00 0.96 -0.44 4.97 3.32 -1.31 -2.00 116.42 121.91 3ci1 h ASP 160 Ca -0.01 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 56.84 3ci1 h ASP 160 Cb 1.04 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 3ci1 h ASP 160 CO 0.07 0.97 0.15 0.22 -1.72 0.00 0.00 179.24 178.94 3ci1 h TYR 161 N 0.91 0.27 -0.36 4.55 3.20 -0.53 -1.40 116.97 123.62 3ci1 h TYR 161 Ca 0.18 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3ci1 h TYR 161 Cb 0.42 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3ci1 h TYR 161 CO 0.03 0.10 -0.18 0.74 -1.64 0.00 0.00 178.16 177.21 3ci1 h PHE 162 N 0.32 0.74 0.16 -3.82 0.04 -0.88 0.52 116.94 114.02 3ci1 h PHE 162 Ca 0.21 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3ci1 h PHE 162 Cb 0.20 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 3ci1 h PHE 162 CO -0.16 0.81 -0.11 0.35 -0.60 0.00 0.00 178.31 178.60 3ci1 h PHE 163 N 0.60 -0.27 -0.64 -0.55 3.57 -1.06 0.18 116.94 118.77 3ci1 h PHE 163 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3ci1 h PHE 163 Cb 0.65 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3ci1 h PHE 163 CO 0.03 -0.17 0.42 0.00 -2.23 0.00 0.00 178.31 176.36 3ci1 h ALA 164 N 0.58 0.81 -0.37 2.41 0.00 -0.86 -2.22 119.26 119.61 3ci1 h ALA 164 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3ci1 h ALA 164 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ci1 h ALA 164 CO 0.01 0.22 -0.16 0.00 0.00 0.00 0.00 179.25 179.32 3ci1 h ALA 165 N 1.24 1.03 -0.16 0.00 0.00 -0.81 -1.30 119.26 119.26 3ci1 h ALA 165 Ca 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ci1 h ALA 165 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ci1 h ALA 165 CO -0.06 0.58 0.07 0.00 0.00 0.00 0.00 179.25 179.84 3ci1 h ALA 166 N 1.21 0.20 -0.94 0.00 0.00 -0.56 0.29 119.26 119.46 3ci1 h ALA 166 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ci1 h ALA 166 Cb 0.62 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3ci1 h ALA 166 CO 0.04 -0.21 0.62 0.00 0.00 0.00 0.00 179.25 179.70 3ci1 h ARG 167 N 0.11 1.20 -0.61 0.00 3.08 -1.31 -2.12 114.38 114.72 3ci1 h ARG 167 Ca 0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3ci1 h ARG 167 Cb 0.16 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3ci1 h ARG 167 CO -0.01 0.80 0.29 -0.92 -1.07 0.00 0.00 179.97 179.06 3ci1 h TYR 168 N 1.24 0.89 -0.47 3.04 3.20 -0.69 -1.05 116.97 123.12 3ci1 h TYR 168 Ca 0.36 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.22 3ci1 h TYR 168 Cb -0.08 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.87 3ci1 h TYR 168 CO -0.01 0.67 0.24 0.00 -1.64 0.00 0.00 178.16 177.42 3ci1 h ALA 169 N 1.13 0.60 -0.27 1.82 0.00 0.07 0.26 119.26 122.87 3ci1 h ALA 169 Ca 0.21 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3ci1 h ALA 169 Cb 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ci1 h ALA 169 CO -0.03 -0.12 0.05 -0.91 0.00 0.00 0.00 179.25 178.24 3ci1 h ASN 170 N 0.47 -0.00 -0.66 0.00 2.35 -1.15 -2.31 115.58 114.27 3ci1 h ASN 170 Ca 0.21 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 56.06 3ci1 h ASN 170 Cb 0.12 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 3ci1 h ASN 170 CO -0.15 0.03 0.36 0.22 -1.65 0.00 0.00 177.43 176.24 3ci1 h TYR 171 N 0.14 0.65 0.00 1.19 3.20 -0.30 0.18 116.97 122.03 3ci1 h TYR 171 Ca 0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3ci1 h TYR 171 Cb 0.13 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 3ci1 h TYR 171 CO -0.17 0.30 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.56 3ci1 h LEU 172 N 0.65 0.00 -2.68 2.82 3.38 0.03 -0.19 115.31 119.32 3ci1 h LEU 172 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3ci1 h LEU 172 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ci1 h LEU 172 CO -0.20 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.73 3ci1 n GLU 173 N -4.05 2.64 -3.89 1.13 1.02 -0.83 -4.86 120.64 111.80 3ci1 n GLU 173 Ca -0.03 -2.29 -0.28 0.00 -0.02 0.00 0.00 57.16 54.54 3ci1 n GLU 173 Cb 0.10 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3ci1 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3ci1 n GLN 174 N 1.12 -4.89 -3.37 3.49 6.02 0.40 -4.98 117.38 115.17 3ci1 n GLN 174 Ca 0.18 0.56 -0.40 0.00 -0.01 0.00 0.00 57.00 57.33 3ci1 n GLN 174 Cb 0.52 -5.26 -0.09 0.00 1.02 0.00 0.00 30.24 26.44 3ci1 n GLN 174 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3ci1 s GLN 175 N -6.46 3.81 0.46 -1.09 2.00 0.14 -5.00 119.66 113.52 3ci1 s GLN 175 Ca 0.41 -0.13 -0.23 0.00 -2.00 0.00 0.00 55.36 53.40 3ci1 s GLN 175 Cb -0.21 -3.73 -0.07 0.00 0.80 0.00 0.00 33.01 29.80 3ci1 s GLN 175 CO 0.84 -0.41 1.21 -1.25 -0.50 0.00 0.00 175.29 175.17 3ci1 s PRO 176 N 2.11 3.70 0.45 1.67 0.04 -1.26 -4.32 135.00 137.39 3ci1 s PRO 176 Ca 0.15 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 3ci1 s PRO 176 Cb -0.16 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 3ci1 s PRO 176 CO 0.11 -0.63 1.08 -0.51 0.04 0.00 0.00 177.00 177.09 3ci1 s ASP 177 N -1.23 6.40 -0.07 6.66 1.01 -1.26 -4.92 116.67 123.26 3ci1 s ASP 177 Ca 0.64 2.08 -0.02 0.00 0.71 0.00 0.00 52.55 55.96 3ci1 s ASP 177 Cb -0.31 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.00 3ci1 s ASP 177 CO 0.38 -0.75 0.02 -0.04 0.21 0.00 0.00 175.17 174.99 3ci1 s MET 178 N -2.84 3.01 0.24 8.23 -1.94 -1.26 -5.03 119.30 119.70 3ci1 s MET 178 Ca 0.63 -0.41 -0.13 0.00 -1.71 0.00 0.00 55.69 54.07 3ci1 s MET 178 Cb -0.22 -2.82 -0.08 0.00 2.01 0.00 0.00 34.83 33.72 3ci1 s MET 178 CO 0.27 0.70 0.63 -0.51 -0.01 0.00 0.00 175.02 176.09 3ci1 s LEU 179 N -1.02 4.20 -0.10 -0.03 1.02 -1.26 -0.06 118.68 121.42 3ci1 s LEU 179 Ca 0.15 1.12 -0.29 0.00 0.02 0.00 0.00 54.13 55.13 3ci1 s LEU 179 Cb -0.11 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.35 3ci1 s LEU 179 CO 0.04 -0.06 1.59 -0.47 0.02 0.00 0.00 176.35 177.47 3ci1 s TYR 180 N -1.75 2.12 0.42 0.29 5.04 0.45 -4.65 117.35 119.27 3ci1 s TYR 180 Ca 0.47 0.37 0.23 0.00 -2.44 0.00 0.00 57.07 55.70 3ci1 s TYR 180 Cb -0.12 -3.86 1.30 0.00 0.35 0.00 0.00 41.96 39.62 3ci1 s TYR 180 CO 0.20 -3.40 2.04 0.07 -1.34 0.00 0.00 175.55 173.12 3ci1 h ARG 181 N 9.55 0.00 -0.63 4.97 0.11 -1.96 -2.24 114.38 124.17 3ci1 h ARG 181 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3ci1 h ARG 181 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3ci1 h ARG 181 CO 0.96 0.15 0.00 0.09 0.10 0.00 0.00 179.97 181.27 3ci1 n ASN 182 N -3.84 4.41 -4.76 0.08 5.03 -1.26 -5.01 115.26 109.91 3ci1 n ASN 182 Ca -0.02 -2.33 -0.41 0.00 0.87 0.00 0.00 54.58 52.69 3ci1 n ASN 182 Cb 0.25 -0.53 -0.03 0.00 -1.02 0.00 0.00 39.78 38.45 3ci1 n ASN 182 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ci1 s SER 183 N -0.99 6.97 0.75 6.41 0.15 -0.85 -5.05 113.70 121.09 3ci1 s SER 183 Ca 0.48 2.47 -0.12 0.00 0.70 0.00 0.00 55.95 59.48 3ci1 s SER 183 Cb 0.30 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 62.02 3ci1 s SER 183 CO 0.25 -0.41 1.13 -1.59 1.20 0.00 0.00 173.24 173.82 3ci1 s LYS 184 N -1.16 2.48 -0.66 5.44 0.00 -1.26 -4.94 119.74 119.64 3ci1 s LYS 184 Ca 0.50 0.31 -0.27 0.00 0.00 0.00 0.00 55.97 56.51 3ci1 s LYS 184 Cb -0.36 -1.99 -0.00 0.00 0.00 0.00 0.00 37.83 35.47 3ci1 s LYS 184 CO 0.45 -1.27 1.64 -0.51 0.00 0.00 0.00 175.35 175.66 3ci1 s ASP 185 N -4.45 5.61 -0.05 0.03 1.01 -1.26 -4.44 116.67 113.12 3ci1 s ASP 185 Ca 0.60 0.04 0.17 0.00 0.71 0.00 0.00 52.55 54.08 3ci1 s ASP 185 Cb -0.11 -2.54 -0.26 0.00 1.01 0.00 0.00 42.92 41.02 3ci1 s ASP 185 CO 0.51 -2.17 0.32 1.33 0.21 0.00 0.00 175.17 175.37 3ci1 n VAL 186 N 6.90 0.24 -3.51 -1.27 0.24 0.28 -4.89 118.33 116.32 3ci1 n VAL 186 Ca 0.14 -0.47 -0.39 0.00 -2.04 0.00 0.00 64.34 61.58 3ci1 n VAL 186 Cb 0.51 -0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 3ci1 n VAL 186 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3ci1 s PHE 187 N -3.07 3.23 0.00 6.34 0.08 -0.80 -5.07 117.98 118.69 3ci1 s PHE 187 Ca -0.07 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3ci1 s PHE 187 Cb 0.10 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.08 3ci1 s PHE 187 CO 0.73 -0.22 0.00 0.54 -0.10 0.00 0.00 175.22 176.18