#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o72 h LEU 2 N 0.00 -0.08 -9.86 0.00 3.38 -1.96 -3.45 115.31 103.34 1o72 h LEU 2 Ca 0.00 -0.35 -0.57 0.00 0.09 0.00 0.00 57.88 57.05 1o72 h LEU 2 Cb 0.00 0.02 0.14 0.00 0.09 0.00 0.00 40.66 40.91 1o72 h LEU 2 CO 0.00 0.32 0.35 0.00 0.09 0.00 0.00 178.44 179.20 1o72 n ALA 3 N -2.35 0.84 -2.84 1.53 0.00 -1.26 -3.10 120.51 113.32 1o72 n ALA 3 Ca -0.08 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1o72 n ALA 3 Cb 0.23 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 17.50 1o72 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o72 n GLY 4 N 1.01 -0.83 3.63 0.00 0.00 0.81 -4.92 105.19 104.89 1o72 n GLY 4 Ca 0.11 0.38 -0.05 0.00 0.00 0.00 0.00 46.02 46.46 1o72 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o72 s THR 5 N -3.21 0.00 0.21 2.61 2.01 -1.18 -4.90 115.64 111.18 1o72 s THR 5 Ca 0.25 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.32 1o72 s THR 5 Cb -0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1o72 s THR 5 CO 0.59 0.00 0.08 0.27 -0.69 0.00 0.00 174.62 174.87 1o72 s ILE 6 N -0.42 4.04 0.31 1.82 -4.36 -1.26 -0.73 121.20 120.60 1o72 s ILE 6 Ca 0.05 -1.42 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1o72 s ILE 6 Cb -0.03 -3.10 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 1o72 s ILE 6 CO -0.09 -0.22 0.26 0.27 0.24 0.00 0.00 174.94 175.40 1o72 s ILE 7 N -1.95 0.00 0.13 8.37 -4.36 -0.01 -4.96 121.20 118.42 1o72 s ILE 7 Ca 0.30 -1.99 -0.31 0.00 -0.26 0.00 0.00 60.65 58.40 1o72 s ILE 7 Cb -0.09 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 41.05 1o72 s ILE 7 CO 0.22 0.00 1.27 0.00 0.24 0.00 0.00 174.94 176.67 1o72 s ALA 8 N -3.57 3.48 0.21 2.27 0.00 -1.26 -0.24 121.76 122.65 1o72 s ALA 8 Ca 0.40 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 1o72 s ALA 8 Cb 0.03 -3.47 0.17 0.00 0.00 0.00 0.00 23.12 19.85 1o72 s ALA 8 CO 0.25 -0.49 1.56 0.78 0.00 0.00 0.00 175.76 177.86 1o72 h GLY 9 N 6.19 -0.07 1.53 0.00 0.00 -0.52 0.25 103.07 110.44 1o72 h GLY 9 Ca -0.43 0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.46 1o72 h GLY 9 CO 0.80 -0.19 0.19 0.00 0.00 0.00 0.00 176.54 177.34 1o72 h ALA 10 N 1.15 1.81 0.00 3.60 0.00 -1.92 -1.84 119.26 122.06 1o72 h ALA 10 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1o72 h ALA 10 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1o72 h ALA 10 CO -0.86 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 176.98 1o72 n SER 11 N -3.84 0.60 -4.59 0.00 3.41 0.86 -4.78 113.62 105.29 1o72 n SER 11 Ca 0.01 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 1o72 n SER 11 Cb 0.31 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1o72 n SER 11 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1o72 s LEU 12 N -4.13 3.45 0.34 1.04 2.96 -0.69 -4.86 118.68 116.79 1o72 s LEU 12 Ca 0.11 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 1o72 s LEU 12 Cb 0.14 -3.25 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 1o72 s LEU 12 CO 0.57 -1.91 0.08 0.42 -1.32 0.00 0.00 176.35 174.18 1o72 s THR 13 N 7.64 0.98 0.43 3.68 -4.23 -1.26 -5.02 115.64 117.85 1o72 s THR 13 Ca 0.78 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.44 1o72 s THR 13 Cb -0.20 -2.65 0.17 0.00 1.34 0.00 0.00 72.50 71.16 1o72 s THR 13 CO 0.30 0.00 1.96 -0.26 -0.54 0.00 0.00 174.62 176.09 1o72 h PHE 14 N 2.04 0.00 -0.59 3.99 -1.00 -1.99 -2.29 116.94 117.10 1o72 h PHE 14 Ca -0.39 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.32 1o72 h PHE 14 Cb 1.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 1o72 h PHE 14 CO 0.82 0.22 0.09 0.37 -1.61 0.00 0.00 178.31 178.19 1o72 h GLN 15 N 0.00 0.98 0.78 1.51 4.15 -1.96 -0.56 115.11 120.01 1o72 h GLN 15 Ca -0.00 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 1o72 h GLN 15 Cb 0.39 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 27.98 1o72 h GLN 15 CO 0.03 0.93 -0.37 0.28 -1.93 0.00 0.00 178.83 177.77 1o72 h VAL 16 N 0.88 0.05 -0.88 2.39 2.07 -1.75 -2.17 116.25 116.84 1o72 h VAL 16 Ca 0.18 -0.21 0.18 0.00 0.82 0.00 0.00 66.70 67.66 1o72 h VAL 16 Cb 0.43 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 1o72 h VAL 16 CO 0.01 0.01 0.58 -0.07 0.02 0.00 0.00 177.57 178.12 1o72 h LEU 17 N -1.25 0.49 -1.49 2.57 3.38 -1.48 0.53 115.31 118.06 1o72 h LEU 17 Ca -0.11 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1o72 h LEU 17 Cb 0.81 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1o72 h LEU 17 CO 0.18 0.22 -0.26 -0.78 0.09 0.00 0.00 178.44 177.88 1o72 h ASP 18 N 0.50 0.00 1.16 -0.43 3.58 -0.88 -0.03 116.42 120.33 1o72 h ASP 18 Ca 0.46 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.78 1o72 h ASP 18 Cb 0.99 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 1o72 h ASP 18 CO -0.19 0.26 -0.61 0.11 -2.88 0.00 0.00 179.24 175.93 1o72 h LYS 19 N 0.00 0.00 -0.36 0.28 1.57 0.65 -2.04 116.57 116.67 1o72 h LYS 19 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1o72 h LYS 19 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1o72 h LYS 19 CO 0.03 0.61 0.10 0.28 -0.57 0.00 0.00 179.45 179.90 1o72 h VAL 20 N 0.00 1.22 -0.61 0.50 2.07 0.24 -1.07 116.25 118.60 1o72 h VAL 20 Ca -0.01 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1o72 h VAL 20 Cb 1.36 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 1o72 h VAL 20 CO 0.08 0.25 0.23 -0.07 0.02 0.00 0.00 177.57 178.08 1o72 h LEU 21 N 0.43 0.23 0.11 2.57 3.38 -0.77 -1.80 115.31 119.46 1o72 h LEU 21 Ca 0.11 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1o72 h LEU 21 Cb 0.28 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1o72 h LEU 21 CO -0.00 0.13 -0.15 -0.08 0.09 0.00 0.00 178.44 178.43 1o72 h GLU 22 N 0.41 -0.30 -0.93 1.13 4.81 -0.90 -2.60 114.58 116.20 1o72 h GLU 22 Ca 0.31 0.02 0.26 0.00 -0.13 0.00 0.00 59.36 59.82 1o72 h GLU 22 Cb 0.38 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 29.68 1o72 h GLU 22 CO -0.31 -0.20 0.37 1.49 -0.73 0.00 0.00 179.01 179.63 1o72 h GLU 23 N -0.31 0.26 0.00 1.92 4.81 -0.38 0.29 114.58 121.16 1o72 h GLU 23 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1o72 h GLU 23 Cb 0.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1o72 h GLU 23 CO -0.07 0.17 0.00 -0.07 -0.73 0.00 0.00 179.01 178.31 1o72 h LEU 24 N 0.27 0.00 0.00 1.64 3.38 -1.00 -3.48 115.31 116.11 1o72 h LEU 24 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 1o72 h LEU 24 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1o72 h LEU 24 CO -0.63 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.51 1o72 n GLY 25 N -0.96 -1.70 3.57 0.83 0.00 0.10 -4.63 105.19 102.40 1o72 n GLY 25 Ca -0.01 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 1o72 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o72 s LYS 26 N -1.84 1.41 -0.13 1.61 -0.14 -1.26 -4.84 119.74 114.55 1o72 s LYS 26 Ca 0.00 -0.04 -0.01 0.00 -1.36 0.00 0.00 55.97 54.56 1o72 s LYS 26 Cb 0.00 -4.90 0.03 0.00 -1.68 0.00 0.00 37.83 31.28 1o72 s LYS 26 CO 0.00 -4.99 -0.05 0.54 -0.76 0.00 0.00 175.35 170.09 1o72 s VAL 27 N 15.83 0.92 0.48 3.17 0.11 -1.26 -5.04 120.40 134.61 1o72 s VAL 27 Ca 0.86 -0.33 0.27 0.00 -2.93 0.00 0.00 61.98 59.85 1o72 s VAL 27 Cb -0.08 -1.03 0.46 0.00 -1.53 0.00 0.00 36.38 34.20 1o72 s VAL 27 CO 0.13 0.25 1.83 0.77 -3.33 0.00 0.00 175.10 174.75 1o72 h SER 28 N 8.19 0.18 -3.46 3.54 4.64 -1.93 -3.36 113.55 121.35 1o72 h SER 28 Ca -0.26 0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.49 1o72 h SER 28 Cb 1.12 -0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.82 1o72 h SER 28 CO 0.38 0.05 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.49 1o72 s ARG 29 N -5.17 1.22 0.23 4.77 1.81 -1.26 -4.24 118.95 116.31 1o72 s ARG 29 Ca -0.06 -1.06 -0.06 0.00 -1.72 0.00 0.00 55.73 52.82 1o72 s ARG 29 Cb 0.23 -2.45 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 1o72 s ARG 29 CO 0.79 -0.76 0.29 -1.59 -0.68 0.00 0.00 175.30 173.36 1o72 s LYS 30 N 1.45 1.38 -0.18 3.54 -2.85 -0.44 -1.83 119.74 120.81 1o72 s LYS 30 Ca 0.01 -1.47 -0.10 0.00 -1.00 0.00 0.00 55.97 53.41 1o72 s LYS 30 Cb -0.18 0.36 0.06 0.00 -2.06 0.00 0.00 37.83 36.01 1o72 s LYS 30 CO -0.12 -0.52 0.43 -1.50 0.10 0.00 0.00 175.35 173.74 1o72 s ILE 31 N -4.05 -0.02 -0.31 3.79 2.07 -0.04 -1.44 121.20 121.19 1o72 s ILE 31 Ca 0.32 0.09 -0.10 0.00 -1.41 0.00 0.00 60.65 59.54 1o72 s ILE 31 Cb 0.03 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 1o72 s ILE 31 CO 0.11 0.04 0.16 0.00 -1.91 0.00 0.00 174.94 173.33 1o72 s ALA 32 N 1.40 3.30 -0.16 1.50 0.00 -0.12 -1.58 121.76 126.10 1o72 s ALA 32 Ca -0.09 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1o72 s ALA 32 Cb -0.08 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1o72 s ALA 32 CO -0.13 -0.85 0.00 0.08 0.00 0.00 0.00 175.76 174.86 1o72 s VAL 33 N 1.63 4.26 -0.06 0.00 1.01 0.13 -1.68 120.40 125.68 1o72 s VAL 33 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1o72 s VAL 33 Cb -0.17 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.36 1o72 s VAL 33 CO 0.07 0.49 -0.02 -0.83 0.00 0.00 0.00 175.10 174.81 1o72 s GLY 34 N 0.24 0.49 -0.17 4.51 0.00 -0.33 -0.39 107.32 111.67 1o72 s GLY 34 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1o72 s GLY 34 CO 0.02 0.84 -0.10 -0.42 0.00 0.00 0.00 173.10 173.44 1o72 s ILE 35 N 1.53 1.41 -0.39 0.90 1.01 -0.98 -0.94 121.20 123.73 1o72 s ILE 35 Ca -0.01 -0.73 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1o72 s ILE 35 Cb -0.13 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1o72 s ILE 35 CO -0.03 0.25 0.65 -0.62 0.00 0.00 0.00 174.94 175.19 1o72 s ASP 36 N 1.52 6.39 -0.54 3.58 2.15 0.20 -1.61 116.67 128.35 1o72 s ASP 36 Ca 0.02 -0.04 -0.26 0.00 0.43 0.00 0.00 52.55 52.70 1o72 s ASP 36 Cb -0.15 -2.33 0.03 0.00 -0.30 0.00 0.00 42.92 40.18 1o72 s ASP 36 CO -0.09 -0.68 1.03 0.21 -0.17 0.00 0.00 175.17 175.47 1o72 s ASN 37 N 1.89 6.41 -0.33 -0.34 2.47 -0.44 -1.12 114.94 123.48 1o72 s ASN 37 Ca 0.24 -0.09 0.13 0.00 0.42 0.00 0.00 52.86 53.55 1o72 s ASN 37 Cb -0.14 -2.48 0.46 0.00 -1.45 0.00 0.00 41.25 37.64 1o72 s ASN 37 CO 0.17 -1.29 1.10 -0.62 -3.72 0.00 0.00 177.10 172.75 1o72 n GLU 38 N 7.76 2.64 0.12 0.43 -0.58 0.11 0.68 120.64 131.79 1o72 n GLU 38 Ca 0.05 -3.92 0.03 0.00 -0.42 0.00 0.00 57.16 52.91 1o72 n GLU 38 Cb 0.48 -1.91 0.01 0.00 -0.57 0.00 0.00 31.44 29.45 1o72 n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1o72 h SER 39 N 2.54 0.00 0.00 1.62 4.64 -1.83 -2.32 113.55 118.20 1o72 h SER 39 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1o72 h SER 39 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1o72 h SER 39 CO 0.59 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.61 1o72 n GLY 40 N 1.26 2.59 3.44 -0.77 0.00 -1.26 -4.59 105.19 105.85 1o72 n GLY 40 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1o72 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1o72 s GLY 41 N -2.56 1.94 0.59 -0.02 0.00 -1.26 -4.85 107.32 101.17 1o72 s GLY 41 Ca 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 44.72 42.68 1o72 s GLY 41 CO 0.00 -1.83 0.92 -1.59 0.00 0.00 0.00 173.10 170.59 1o72 s THR 42 N -3.13 3.81 0.06 0.90 2.01 -1.26 -3.95 115.64 114.07 1o72 s THR 42 Ca 0.32 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.49 1o72 s THR 42 Cb 0.06 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1o72 s THR 42 CO 0.13 -0.55 -0.15 0.26 -0.69 0.00 0.00 174.62 173.62 1o72 s TRP 43 N -3.01 1.33 -0.13 4.92 0.51 -0.59 -1.97 118.94 120.00 1o72 s TRP 43 Ca 0.54 -0.40 0.03 0.00 -2.12 0.00 0.00 56.10 54.14 1o72 s TRP 43 Cb -0.11 -0.77 0.01 0.00 -0.81 0.00 0.00 33.47 31.80 1o72 s TRP 43 CO 0.46 0.07 -0.21 0.99 -0.51 0.00 0.00 176.95 177.74 1o72 s THR 44 N -1.03 1.97 0.40 2.01 2.01 -0.20 -1.24 115.64 119.56 1o72 s THR 44 Ca 0.01 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.84 1o72 s THR 44 Cb -0.09 -1.74 -0.12 0.00 0.01 0.00 0.00 72.50 70.57 1o72 s THR 44 CO 0.02 0.53 0.82 0.00 -0.69 0.00 0.00 174.62 175.31 1o72 n ALA 45 N 3.96 -0.58 -0.01 7.40 0.00 0.44 -0.78 120.51 130.95 1o72 n ALA 45 Ca -0.20 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1o72 n ALA 45 Cb 0.52 -1.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.02 1o72 n ALA 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1o72 n LEU 46 N 0.88 0.28 -3.58 0.00 7.94 0.06 -4.69 117.00 117.89 1o72 n LEU 46 Ca 0.11 0.04 0.02 0.00 -1.11 0.00 0.00 56.01 55.07 1o72 n LEU 46 Cb 0.38 -0.33 -0.00 0.00 0.53 0.00 0.00 43.42 44.00 1o72 n LEU 46 CO 0.56 -0.50 1.16 0.54 -1.11 0.00 0.00 177.39 178.04 1o72 s ASN 47 N -4.71 -0.03 -0.09 1.96 4.22 -1.19 -4.99 114.94 110.12 1o72 s ASN 47 Ca -0.03 -0.05 0.03 0.00 -2.14 0.00 0.00 52.86 50.67 1o72 s ASN 47 Cb 0.00 0.07 0.01 0.00 1.28 0.00 0.00 41.25 42.61 1o72 s ASN 47 CO 0.04 -0.12 -0.18 0.00 -2.04 0.00 0.00 177.10 174.80 1o72 s ALA 48 N -2.18 1.75 -0.29 3.54 0.00 -1.26 -1.39 121.76 121.92 1o72 s ALA 48 Ca 0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1o72 s ALA 48 Cb 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1o72 s ALA 48 CO -0.05 0.14 0.02 -0.47 0.00 0.00 0.00 175.76 175.40 1o72 s TYR 49 N 0.60 3.19 -0.30 0.00 5.04 0.26 -4.98 117.35 121.15 1o72 s TYR 49 Ca -0.15 -1.50 -0.16 0.00 -2.44 0.00 0.00 57.07 52.82 1o72 s TYR 49 Cb -0.17 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.96 1o72 s TYR 49 CO 0.05 -0.72 0.42 -0.06 -1.34 0.00 0.00 175.55 173.90 1o72 s PHE 50 N 1.36 3.22 -0.08 4.97 0.40 -1.26 -1.33 117.98 125.26 1o72 s PHE 50 Ca -0.01 0.28 -0.25 0.00 -0.60 0.00 0.00 56.93 56.35 1o72 s PHE 50 Cb -0.18 -2.70 -0.20 0.00 0.51 0.00 0.00 43.02 40.44 1o72 s PHE 50 CO -0.00 -0.36 0.93 -0.09 0.70 0.00 0.00 175.22 176.40 1o72 h ARG 51 N 8.29 -0.06 -5.47 0.44 9.65 -1.27 -3.46 114.38 122.51 1o72 h ARG 51 Ca -0.30 0.00 -0.50 0.00 -1.10 0.00 0.00 59.98 58.08 1o72 h ARG 51 Cb 1.15 0.01 -0.28 0.00 -1.39 0.00 0.00 29.97 29.46 1o72 h ARG 51 CO 0.69 0.58 -0.82 -1.12 2.80 0.00 0.00 179.97 182.11 1o72 s SER 52 N -5.82 1.84 0.00 -3.80 0.01 -0.52 -4.98 113.70 100.43 1o72 s SER 52 Ca -0.15 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1o72 s SER 52 Cb -0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1o72 s SER 52 CO 0.60 0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.02 1o72 n GLY 53 N 2.50 -0.62 2.27 3.44 0.00 -1.16 -1.10 105.19 110.52 1o72 n GLY 53 Ca -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 1o72 n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1o72 n THR 54 N 0.00 0.00 -3.99 2.61 5.66 0.88 -4.76 114.28 114.68 1o72 n THR 54 Ca 0.00 -0.40 -0.08 0.00 -3.05 0.00 0.00 64.05 60.52 1o72 n THR 54 Cb 0.00 0.49 -0.09 0.00 -1.55 0.00 0.00 70.33 69.18 1o72 n THR 54 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1o72 s THR 55 N -2.32 0.16 -0.25 1.09 -1.32 -1.26 -0.46 115.64 111.28 1o72 s THR 55 Ca 0.13 -1.36 0.11 0.00 -1.21 0.00 0.00 61.69 59.36 1o72 s THR 55 Cb -0.02 -1.13 -0.15 0.00 -1.51 0.00 0.00 72.50 69.70 1o72 s THR 55 CO 0.04 -0.75 0.35 0.47 -2.21 0.00 0.00 174.62 172.52 1o72 n ASP 56 N 0.49 1.52 -4.71 8.08 8.00 -1.26 -5.00 116.55 123.67 1o72 n ASP 56 Ca -0.17 -0.36 -0.23 0.00 0.71 0.00 0.00 54.79 54.74 1o72 n ASP 56 Cb 0.60 1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 42.90 1o72 n ASP 56 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1o72 s VAL 57 N -2.41 3.68 0.01 2.53 -7.23 -1.26 -5.13 120.40 110.59 1o72 s VAL 57 Ca -0.00 -1.75 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1o72 s VAL 57 Cb 0.08 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1o72 s VAL 57 CO 0.45 -0.35 0.16 -0.51 -0.31 0.00 0.00 175.10 174.55 1o72 s ILE 58 N -2.28 5.24 0.20 -0.62 1.10 -1.26 -4.97 121.20 118.60 1o72 s ILE 58 Ca 0.33 -0.27 -0.33 0.00 -0.51 0.00 0.00 60.65 59.87 1o72 s ILE 58 Cb -0.06 -3.46 -0.13 0.00 0.15 0.00 0.00 42.46 38.95 1o72 s ILE 58 CO 0.22 0.29 1.54 0.18 -2.11 0.00 0.00 174.94 175.06 1o72 n LEU 59 N 0.88 3.27 -4.58 8.50 4.77 -1.26 -4.39 117.00 124.19 1o72 n LEU 59 Ca -0.10 1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 56.55 1o72 n LEU 59 Cb 0.52 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1o72 n LEU 59 CO 0.44 -0.28 1.87 -2.65 -1.33 0.00 0.00 177.39 175.44 1o72 n PRO 60 N 2.93 1.81 -0.21 3.23 -0.02 -1.26 -4.83 135.00 136.64 1o72 n PRO 60 Ca 0.15 0.47 -0.04 0.00 -2.02 0.00 0.00 63.50 62.05 1o72 n PRO 60 Cb 0.31 -3.19 0.02 0.00 -0.02 0.00 0.00 33.50 30.61 1o72 n PRO 60 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1o72 h GLU 61 N 15.25 -0.13 -5.68 -0.52 4.81 -1.93 -3.37 114.58 123.01 1o72 h GLU 61 Ca -0.38 0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.22 1o72 h GLU 61 Cb 1.25 0.03 -0.31 0.00 0.63 0.00 0.00 28.75 30.34 1o72 h GLU 61 CO 0.98 -0.09 -0.87 -0.06 -0.73 0.00 0.00 179.01 178.25 1o72 s PHE 62 N -6.03 2.15 -0.29 0.92 0.40 -1.26 0.17 117.98 114.05 1o72 s PHE 62 Ca -0.14 -0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 55.52 1o72 s PHE 62 Cb 0.17 -1.43 0.09 0.00 0.51 0.00 0.00 43.02 42.36 1o72 s PHE 62 CO 0.70 -0.21 0.08 0.08 0.70 0.00 0.00 175.22 176.57 1o72 s VAL 63 N -0.04 0.81 0.72 -0.44 1.01 -0.37 -4.98 120.40 117.11 1o72 s VAL 63 Ca -0.05 -1.24 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 1o72 s VAL 63 Cb -0.13 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.73 1o72 s VAL 63 CO 0.03 -0.58 1.08 -2.84 0.00 0.00 0.00 175.10 172.80 1o72 s PRO 64 N 1.66 2.60 0.85 2.72 0.02 -1.26 -1.54 135.00 140.05 1o72 s PRO 64 Ca 0.07 1.14 -0.15 0.00 0.02 0.00 0.00 61.00 62.09 1o72 s PRO 64 Cb -0.17 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1o72 s PRO 64 CO -0.22 -1.37 0.34 -1.71 -0.33 0.00 0.00 177.00 173.71 1o72 n ASN 65 N -3.15 -2.09 0.00 2.53 4.05 -1.25 -1.83 115.26 113.52 1o72 n ASN 65 Ca 0.09 0.43 0.00 0.00 0.45 0.00 0.00 54.58 55.55 1o72 n ASN 65 Cb 0.53 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 40.37 1o72 n ASN 65 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1o72 n THR 66 N -2.96 0.00 -4.04 -0.44 -2.24 0.21 -4.95 114.28 99.86 1o72 n THR 66 Ca 0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 1o72 n THR 66 Cb 0.52 -0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1o72 n THR 66 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1o72 s LYS 67 N -0.91 2.96 -0.05 -0.78 -0.14 -0.76 0.19 119.74 120.26 1o72 s LYS 67 Ca 0.00 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.93 1o72 s LYS 67 Cb 0.00 -2.75 -0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1o72 s LYS 67 CO 0.00 0.55 -0.07 0.00 -0.76 0.00 0.00 175.35 175.07 1o72 s ALA 68 N -1.48 2.97 -0.14 5.17 0.00 0.67 -1.32 121.76 127.63 1o72 s ALA 68 Ca 0.30 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1o72 s ALA 68 Cb -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1o72 s ALA 68 CO 0.23 0.58 0.10 -0.48 0.00 0.00 0.00 175.76 176.20 1o72 s LEU 69 N -0.98 4.14 -0.15 0.00 0.05 -0.63 -0.83 118.68 120.28 1o72 s LEU 69 Ca 0.14 0.31 -0.04 0.00 0.05 0.00 0.00 54.13 54.59 1o72 s LEU 69 Cb -0.11 -2.02 -0.03 0.00 -2.05 0.00 0.00 46.19 41.98 1o72 s LEU 69 CO 0.03 0.33 -0.00 -0.76 -0.55 0.00 0.00 176.35 175.39 1o72 s LEU 70 N -0.53 3.46 0.11 1.48 1.02 0.10 -2.32 118.68 121.99 1o72 s LEU 70 Ca 0.12 -0.03 -0.08 0.00 0.02 0.00 0.00 54.13 54.16 1o72 s LEU 70 Cb -0.12 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.25 1o72 s LEU 70 CO 0.02 0.20 0.19 -0.47 0.02 0.00 0.00 176.35 176.31 1o72 s TYR 71 N 0.17 0.29 0.13 0.29 5.04 0.48 -0.14 117.35 123.60 1o72 s TYR 71 Ca 0.00 -0.71 -0.13 0.00 -2.44 0.00 0.00 57.07 53.80 1o72 s TYR 71 Cb -0.13 -0.11 0.02 0.00 0.35 0.00 0.00 41.96 42.08 1o72 s TYR 71 CO 0.02 -0.57 0.33 -1.54 -1.34 0.00 0.00 175.55 172.45 1o72 s SER 72 N -2.90 -0.09 -0.02 4.32 1.04 -1.26 0.21 113.70 114.99 1o72 s SER 72 Ca 0.09 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.82 1o72 s SER 72 Cb 0.05 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.64 1o72 s SER 72 CO -0.07 -0.84 0.41 -0.83 0.98 0.00 0.00 173.24 172.88 1o72 s GLY 73 N -2.85 -0.27 0.10 7.32 0.00 -0.62 -4.71 107.32 106.30 1o72 s GLY 73 Ca 0.06 0.57 -0.02 0.00 0.00 0.00 0.00 44.72 45.33 1o72 s GLY 73 CO -0.09 0.32 0.05 1.09 0.00 0.00 0.00 173.10 174.47 1o72 s ARG 74 N -1.40 0.82 0.72 2.90 1.70 0.39 -0.86 118.95 123.21 1o72 s ARG 74 Ca -0.12 -1.30 -0.11 0.00 -0.47 0.00 0.00 55.73 53.73 1o72 s ARG 74 Cb -0.03 0.25 0.02 0.00 -0.57 0.00 0.00 34.95 34.61 1o72 s ARG 74 CO 0.05 -0.22 1.07 -1.59 -1.08 0.00 0.00 175.30 173.53 1o72 s LYS 75 N -3.98 2.76 0.12 3.89 -2.85 -0.76 -0.09 119.74 118.84 1o72 s LYS 75 Ca 0.16 0.86 -0.32 0.00 -1.00 0.00 0.00 55.97 55.66 1o72 s LYS 75 Cb 0.07 -1.98 -0.12 0.00 -2.06 0.00 0.00 37.83 33.75 1o72 s LYS 75 CO -0.04 -1.20 1.76 -0.25 0.10 0.00 0.00 175.35 175.73 1o72 n ASP 76 N -3.18 3.76 -4.67 0.03 8.00 -1.26 -4.63 116.55 114.59 1o72 n ASP 76 Ca 0.07 1.02 -0.39 0.00 0.71 0.00 0.00 54.79 56.20 1o72 n ASP 76 Cb 0.54 -1.51 0.04 0.00 -0.02 0.00 0.00 41.12 40.17 1o72 n ASP 76 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1o72 n THR 77 N 4.33 3.36 0.00 -3.53 -1.04 -1.26 -4.66 114.28 111.48 1o72 n THR 77 Ca 0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1o72 n THR 77 Cb 0.34 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1o72 n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1o72 n GLY 78 N 1.01 -2.11 2.56 3.41 0.00 -1.26 -4.77 105.19 104.03 1o72 n GLY 78 Ca 0.11 -2.17 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 1o72 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1o72 n PRO 79 N -0.19 2.98 -4.57 1.61 -0.04 -1.26 -4.86 135.00 128.66 1o72 n PRO 79 Ca 0.00 -2.18 -0.23 0.00 -0.04 0.00 0.00 63.50 61.05 1o72 n PRO 79 Cb 0.00 -2.91 -0.16 0.00 -0.04 0.00 0.00 33.50 30.39 1o72 n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1o72 s VAL 80 N 2.96 1.07 -0.06 0.52 1.01 -1.26 -5.04 120.40 119.60 1o72 s VAL 80 Ca 0.57 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1o72 s VAL 80 Cb 0.15 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.65 1o72 s VAL 80 CO -0.05 0.33 1.40 0.00 0.00 0.00 0.00 175.10 176.78 1o72 n ALA 81 N 3.48 3.33 -2.36 5.51 0.00 -1.26 -4.90 120.51 124.32 1o72 n ALA 81 Ca -0.20 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 1o72 n ALA 81 Cb 0.53 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.92 1o72 n ALA 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1o72 s THR 82 N -0.45 3.99 0.00 0.00 -4.23 -1.26 -4.66 115.64 109.03 1o72 s THR 82 Ca 0.07 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1o72 s THR 82 Cb 0.06 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1o72 s THR 82 CO 0.01 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1o72 n GLY 83 N -1.96 4.35 3.00 3.99 0.00 -1.26 -4.63 105.19 108.68 1o72 n GLY 83 Ca 0.01 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1o72 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o72 s ALA 84 N -2.27 2.40 -0.03 4.61 0.00 -0.80 -2.98 121.76 122.69 1o72 s ALA 84 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 1o72 s ALA 84 Cb 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.51 1o72 s ALA 84 CO 0.00 -1.36 0.04 0.08 0.00 0.00 0.00 175.76 174.53 1o72 s VAL 85 N 1.17 -0.07 0.26 0.00 1.01 -0.26 -1.40 120.40 121.12 1o72 s VAL 85 Ca -0.02 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1o72 s VAL 85 Cb -0.19 -0.14 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1o72 s VAL 85 CO -0.08 0.15 0.64 0.00 0.00 0.00 0.00 175.10 175.81 1o72 s ALA 86 N 1.69 -0.95 -0.06 5.51 0.00 -1.01 -0.68 121.76 126.26 1o72 s ALA 86 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1o72 s ALA 86 Cb -0.12 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1o72 s ALA 86 CO -0.03 -0.97 0.02 0.00 0.00 0.00 0.00 175.76 174.78 1o72 s ALA 87 N -3.94 0.58 0.26 0.00 0.00 -0.44 -2.37 121.76 115.85 1o72 s ALA 87 Ca 0.14 -0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.15 1o72 s ALA 87 Cb -0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 1o72 s ALA 87 CO 0.06 -0.47 -0.18 -0.59 0.00 0.00 0.00 175.76 174.58 1o72 s PHE 88 N 2.02 2.13 0.00 0.00 -0.12 -0.79 -0.57 117.98 120.65 1o72 s PHE 88 Ca 0.05 -0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 56.47 1o72 s PHE 88 Cb -0.12 -0.95 -0.00 0.00 -0.63 0.00 0.00 43.02 41.31 1o72 s PHE 88 CO -0.05 0.61 0.09 0.00 -0.05 0.00 0.00 175.22 175.83 1o72 s ALA 89 N -2.65 -0.21 -0.06 1.99 0.00 -0.49 -2.48 121.76 117.87 1o72 s ALA 89 Ca 0.28 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1o72 s ALA 89 Cb -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 1o72 s ALA 89 CO 0.13 -0.18 -0.20 0.71 0.00 0.00 0.00 175.76 176.22 1o72 s TYR 90 N -1.21 2.04 -0.07 0.00 1.51 -0.98 -0.76 117.35 117.88 1o72 s TYR 90 Ca -0.13 -0.64 -0.28 0.00 -1.01 0.00 0.00 57.07 55.01 1o72 s TYR 90 Cb -0.07 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1o72 s TYR 90 CO 0.01 -0.22 0.90 -0.47 -1.11 0.00 0.00 175.55 174.65 1o72 s TYR 91 N 0.06 3.56 0.22 2.71 5.04 0.04 0.20 117.35 129.18 1o72 s TYR 91 Ca -0.07 1.50 -0.03 0.00 -2.44 0.00 0.00 57.07 56.03 1o72 s TYR 91 Cb -0.13 -3.05 -0.05 0.00 0.35 0.00 0.00 41.96 39.08 1o72 s TYR 91 CO 0.04 -0.08 0.44 -1.64 -1.34 0.00 0.00 175.55 172.97 1o72 s MET 92 N 1.40 3.58 0.54 4.97 -1.94 0.19 -1.03 119.30 127.00 1o72 s MET 92 Ca 0.46 -0.17 0.34 0.00 -1.71 0.00 0.00 55.69 54.61 1o72 s MET 92 Cb -0.19 -2.78 1.53 0.00 2.01 0.00 0.00 34.83 35.41 1o72 s MET 92 CO 0.21 0.35 2.02 0.66 -0.01 0.00 0.00 175.02 178.25 1o72 h SER 93 N 2.09 0.00 0.44 3.03 4.64 -1.68 -0.22 113.55 121.84 1o72 h SER 93 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1o72 h SER 93 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1o72 h SER 93 CO 0.68 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.10 1o72 n SER 94 N -2.97 0.16 0.00 4.97 3.41 -1.26 -4.83 113.62 113.10 1o72 n SER 94 Ca -0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1o72 n SER 94 Cb 0.24 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1o72 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o72 n GLY 95 N -0.31 0.24 3.87 5.00 0.00 -0.10 -5.08 105.19 108.82 1o72 n GLY 95 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1o72 n GLY 95 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o72 s ASN 96 N -2.39 4.73 -0.09 1.61 0.01 -1.25 -3.64 114.94 113.93 1o72 s ASN 96 Ca 0.00 -1.06 -0.02 0.00 -0.71 0.00 0.00 52.86 51.08 1o72 s ASN 96 Cb 0.00 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 1o72 s ASN 96 CO 0.00 -0.88 -0.01 -0.89 -1.51 0.00 0.00 177.10 173.82 1o72 s THR 97 N -2.65 4.25 -0.18 1.60 2.01 0.06 0.53 115.64 121.26 1o72 s THR 97 Ca 0.40 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.96 1o72 s THR 97 Cb -0.02 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1o72 s THR 97 CO 0.24 0.60 0.43 -0.22 -0.69 0.00 0.00 174.62 174.98 1o72 s LEU 98 N -0.82 4.19 -0.18 4.42 0.20 0.13 -0.49 118.68 126.12 1o72 s LEU 98 Ca 0.12 0.61 -0.05 0.00 0.69 0.00 0.00 54.13 55.51 1o72 s LEU 98 Cb -0.11 -2.58 -0.03 0.00 -0.43 0.00 0.00 46.19 43.04 1o72 s LEU 98 CO 0.02 -0.07 -0.01 -0.83 -0.29 0.00 0.00 176.35 175.17 1o72 s GLY 99 N 0.93 1.73 -0.03 7.98 0.00 0.15 -2.31 107.32 115.75 1o72 s GLY 99 Ca 0.21 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1o72 s GLY 99 CO 0.08 0.12 -0.11 0.14 0.00 0.00 0.00 173.10 173.34 1o72 s VAL 100 N 0.74 0.92 -0.01 1.40 1.01 -1.03 -0.04 120.40 123.39 1o72 s VAL 100 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1o72 s VAL 100 Cb -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.42 1o72 s VAL 100 CO 0.02 0.29 -0.03 -0.32 0.00 0.00 0.00 175.10 175.05 1o72 s MET 101 N 0.24 0.33 -0.01 2.72 1.75 -0.54 -1.88 119.30 121.91 1o72 s MET 101 Ca -0.05 -0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.31 1o72 s MET 101 Cb -0.10 -0.35 -0.00 0.00 2.84 0.00 0.00 34.83 37.22 1o72 s MET 101 CO 0.01 0.04 -0.06 -0.59 -0.65 0.00 0.00 175.02 173.77 1o72 s PHE 102 N 0.11 0.60 -0.16 4.11 -0.12 -1.00 -1.85 117.98 119.67 1o72 s PHE 102 Ca -0.01 -0.12 -0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1o72 s PHE 102 Cb -0.04 -0.41 0.05 0.00 -0.63 0.00 0.00 43.02 41.99 1o72 s PHE 102 CO -0.00 -0.03 0.02 0.45 -0.05 0.00 0.00 175.22 175.61 1o72 s SER 103 N -0.00 2.56 -0.46 1.98 0.15 0.18 -2.40 113.70 115.71 1o72 s SER 103 Ca 0.00 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.04 1o72 s SER 103 Cb -0.04 -0.56 0.12 0.00 -1.71 0.00 0.00 66.02 63.83 1o72 s SER 103 CO -0.00 -0.27 0.22 -0.69 1.20 0.00 0.00 173.24 173.69 1o72 s VAL 104 N 1.89 2.90 0.59 4.45 1.01 -0.49 -2.22 120.40 128.53 1o72 s VAL 104 Ca 0.01 -2.63 -0.17 0.00 0.00 0.00 0.00 61.98 59.19 1o72 s VAL 104 Cb -0.16 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1o72 s VAL 104 CO -0.07 -0.73 1.09 -2.16 0.00 0.00 0.00 175.10 173.23 1o72 s PRO 105 N 0.48 3.20 0.17 2.72 0.04 -1.26 -1.90 135.00 138.45 1o72 s PRO 105 Ca 0.13 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.48 1o72 s PRO 105 Cb -0.22 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.36 1o72 s PRO 105 CO -0.04 -0.93 1.56 0.35 0.04 0.00 0.00 177.00 177.98 1o72 h PHE 106 N 0.63 1.10 -3.55 0.56 3.57 -1.83 -3.42 116.94 114.00 1o72 h PHE 106 Ca -0.48 -0.26 -0.69 0.00 3.53 0.00 0.00 57.97 60.06 1o72 h PHE 106 Cb 1.24 -0.26 -0.19 0.00 2.79 0.00 0.00 35.95 39.53 1o72 h PHE 106 CO 0.55 1.08 -0.26 0.34 -2.23 0.00 0.00 178.31 177.78 1o72 s ASP 107 N -6.73 6.18 0.00 0.41 -1.08 -1.26 -4.90 116.67 109.28 1o72 s ASP 107 Ca -0.11 -0.64 0.24 0.00 -0.52 0.00 0.00 52.55 51.52 1o72 s ASP 107 Cb 0.12 -2.21 0.73 0.00 -1.46 0.00 0.00 42.92 40.10 1o72 s ASP 107 CO 0.87 -0.51 1.55 -1.22 0.52 0.00 0.00 175.17 176.37 1o72 n TYR 108 N 5.48 0.16 0.02 -5.34 4.01 -1.26 -2.31 117.16 117.92 1o72 n TYR 108 Ca -0.08 -0.08 -0.19 0.00 -0.16 0.00 0.00 57.90 57.39 1o72 n TYR 108 Cb 0.48 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.40 1o72 n TYR 108 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1o72 h ASN 109 N 2.89 0.69 -0.03 7.72 -1.24 -1.98 -3.35 115.58 120.27 1o72 h ASN 109 Ca 0.00 -0.75 0.00 0.00 0.71 0.00 0.00 56.30 56.26 1o72 h ASN 109 Cb 0.62 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.46 1o72 h ASN 109 CO 0.00 1.35 0.00 1.87 -1.29 0.00 0.00 177.43 179.36 1o72 n TRP 110 N -4.07 0.05 -3.93 0.67 -0.00 -1.25 -5.06 117.44 103.84 1o72 n TRP 110 Ca -0.11 -0.35 -0.09 0.00 -0.00 0.00 0.00 57.50 56.95 1o72 n TRP 110 Cb 0.76 -0.03 -0.07 0.00 -0.00 0.00 0.00 31.31 31.96 1o72 n TRP 110 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1o72 s TYR 111 N -0.75 0.33 0.42 5.87 2.02 -0.98 -5.13 117.35 119.14 1o72 s TYR 111 Ca 0.03 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 56.04 1o72 s TYR 111 Cb 0.02 -0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.46 1o72 s TYR 111 CO 0.02 -0.63 0.13 -1.12 -1.57 0.00 0.00 175.55 172.38 1o72 s SER 112 N -2.93 2.88 0.18 2.29 0.01 -1.26 -4.06 113.70 110.81 1o72 s SER 112 Ca 0.12 -1.68 -0.24 0.00 1.31 0.00 0.00 55.95 55.46 1o72 s SER 112 Cb 0.04 0.52 -0.08 0.00 0.21 0.00 0.00 66.02 66.71 1o72 s SER 112 CO -0.05 -0.94 0.76 0.20 0.41 0.00 0.00 173.24 173.63 1o72 s ASN 113 N -3.62 7.29 0.05 2.44 0.01 -1.26 -4.45 114.94 115.39 1o72 s ASN 113 Ca 0.23 1.58 -0.02 0.00 -0.71 0.00 0.00 52.86 53.94 1o72 s ASN 113 Cb 0.02 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 1o72 s ASN 113 CO 0.14 0.16 -0.00 0.26 -1.51 0.00 0.00 177.10 176.15 1o72 s TRP 114 N -1.26 0.42 0.02 2.20 0.52 -0.94 -0.58 118.94 119.32 1o72 s TRP 114 Ca 0.38 -0.90 -0.28 0.00 0.02 0.00 0.00 56.10 55.32 1o72 s TRP 114 Cb -0.21 -0.31 0.10 0.00 -1.15 0.00 0.00 33.47 31.89 1o72 s TRP 114 CO 0.24 -0.36 0.88 1.67 0.02 0.00 0.00 176.95 179.40 1o72 s TRP 115 N -3.43 -0.34 -0.04 -1.98 1.48 -0.18 -0.65 118.94 113.80 1o72 s TRP 115 Ca 0.02 0.19 -0.29 0.00 -1.06 0.00 0.00 56.10 54.96 1o72 s TRP 115 Cb 0.04 0.55 0.11 0.00 -1.16 0.00 0.00 33.47 33.01 1o72 s TRP 115 CO -0.08 -0.59 0.92 0.34 -4.06 0.00 0.00 176.95 173.48 1o72 s ASP 116 N -2.54 -0.35 0.00 -2.66 2.15 -0.77 -0.39 116.67 112.11 1o72 s ASP 116 Ca 0.05 0.05 0.05 0.00 0.43 0.00 0.00 52.55 53.13 1o72 s ASP 116 Cb -0.01 0.36 -0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1o72 s ASP 116 CO -0.08 -0.56 -0.15 -0.69 -0.17 0.00 0.00 175.17 173.51 1o72 s VAL 117 N -2.84 1.18 -0.27 1.11 1.01 -1.26 -1.46 120.40 117.87 1o72 s VAL 117 Ca 0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 1o72 s VAL 117 Cb -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.44 1o72 s VAL 117 CO -0.07 0.24 0.69 -0.75 0.00 0.00 0.00 175.10 175.20 1o72 s LYS 118 N -0.59 0.74 -0.20 2.72 2.20 0.94 -4.98 119.74 120.56 1o72 s LYS 118 Ca 0.05 1.12 -0.18 0.00 -0.36 0.00 0.00 55.97 56.59 1o72 s LYS 118 Cb -0.06 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1o72 s LYS 118 CO 0.00 -0.13 0.51 0.42 -0.36 0.00 0.00 175.35 175.79 1o72 s ILE 119 N 1.15 5.11 -0.19 5.43 1.01 -1.26 0.31 121.20 132.75 1o72 s ILE 119 Ca -0.06 0.94 -0.09 0.00 0.00 0.00 0.00 60.65 61.44 1o72 s ILE 119 Cb -0.05 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1o72 s ILE 119 CO -0.12 0.18 0.12 -0.31 0.00 0.00 0.00 174.94 174.81 1o72 s TYR 120 N 1.62 3.39 0.15 3.97 1.51 0.36 -4.93 117.35 123.40 1o72 s TYR 120 Ca 0.24 0.29 -0.34 0.00 -1.01 0.00 0.00 57.07 56.24 1o72 s TYR 120 Cb -0.15 -2.13 -0.14 0.00 -0.11 0.00 0.00 41.96 39.42 1o72 s TYR 120 CO 0.10 0.28 1.53 0.45 -1.11 0.00 0.00 175.55 176.80 1o72 n SER 121 N 3.45 2.81 0.00 2.29 2.88 -1.26 -0.76 113.62 123.04 1o72 n SER 121 Ca -0.16 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1o72 n SER 121 Cb 0.52 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1o72 n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o72 n GLY 122 N 3.24 -0.55 3.49 0.46 0.00 -1.24 -4.67 105.19 105.91 1o72 n GLY 122 Ca 0.17 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1o72 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o72 s LYS 123 N 0.00 3.30 -0.18 1.61 2.20 -1.26 -1.13 119.74 124.28 1o72 s LYS 123 Ca 0.00 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1o72 s LYS 123 Cb 0.00 -3.81 0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1o72 s LYS 123 CO 0.00 -0.53 -0.08 0.50 -0.36 0.00 0.00 175.35 174.87 1o72 s ARG 124 N 1.68 1.78 0.82 4.03 6.06 -1.26 -5.03 118.95 127.03 1o72 s ARG 124 Ca 0.05 -0.66 -0.12 0.00 -2.50 0.00 0.00 55.73 52.50 1o72 s ARG 124 Cb -0.18 -2.19 0.09 0.00 0.06 0.00 0.00 34.95 32.73 1o72 s ARG 124 CO 0.10 -0.41 1.16 -0.98 -2.50 0.00 0.00 175.30 172.67 1o72 s ARG 125 N 1.52 1.68 -0.07 5.12 1.70 -1.26 -4.92 118.95 122.72 1o72 s ARG 125 Ca 0.00 1.56 -0.27 0.00 -0.47 0.00 0.00 55.73 56.56 1o72 s ARG 125 Cb -0.15 -1.80 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 1o72 s ARG 125 CO -0.08 -2.14 0.85 0.00 -1.08 0.00 0.00 175.30 172.85 1o72 s ALA 126 N -2.43 3.31 0.23 7.88 0.00 -1.26 -4.87 121.76 124.62 1o72 s ALA 126 Ca 0.69 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1o72 s ALA 126 Cb -0.24 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1o72 s ALA 126 CO 0.52 -0.29 0.35 -0.40 0.00 0.00 0.00 175.76 175.94 1o72 n ASP 127 N 4.20 -0.98 -0.35 0.00 5.68 -1.26 -4.48 116.55 119.36 1o72 n ASP 127 Ca 0.03 -2.18 0.12 0.00 -0.50 0.00 0.00 54.79 52.26 1o72 n ASP 127 Cb 0.51 1.77 0.31 0.00 -1.14 0.00 0.00 41.12 42.57 1o72 n ASP 127 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1o72 h GLN 128 N 0.00 0.78 -0.81 0.11 5.75 -1.95 -1.70 115.11 117.29 1o72 h GLN 128 Ca -0.18 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1o72 h GLN 128 Cb 0.77 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.11 1o72 h GLN 128 CO 0.24 0.52 0.33 0.78 -2.65 0.00 0.00 178.83 178.05 1o72 h GLY 129 N 0.80 1.29 1.13 2.39 0.00 -1.96 -2.32 103.07 104.40 1o72 h GLY 129 Ca 0.57 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 1o72 h GLY 129 CO -0.36 0.65 -0.39 1.98 0.00 0.00 0.00 176.54 178.42 1o72 h MET 130 N 1.17 0.94 0.29 4.80 1.85 -1.66 -2.25 114.93 120.07 1o72 h MET 130 Ca 0.27 -0.50 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1o72 h MET 130 Cb 0.20 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 1o72 h MET 130 CO -0.02 1.16 -0.33 -0.92 -0.40 0.00 0.00 176.91 176.39 1o72 h TYR 131 N 0.76 -0.90 -0.06 1.39 3.20 -1.27 -1.34 116.97 118.75 1o72 h TYR 131 Ca 0.06 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1o72 h TYR 131 Cb 0.99 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.61 1o72 h TYR 131 CO 0.06 -0.46 0.04 0.93 -1.64 0.00 0.00 178.16 177.09 1o72 h GLU 132 N -0.67 0.08 -0.30 1.82 5.08 -1.42 0.17 114.58 119.35 1o72 h GLU 132 Ca -0.01 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1o72 h GLU 132 Cb 0.62 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1o72 h GLU 132 CO -0.09 0.06 -0.49 0.22 -1.00 0.00 0.00 179.01 177.71 1o72 h ASP 133 N 0.09 0.96 0.03 1.42 1.82 -0.92 -1.05 116.42 118.76 1o72 h ASP 133 Ca 0.02 -0.52 -0.09 0.00 -0.39 0.00 0.00 57.03 56.06 1o72 h ASP 133 Cb 0.00 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 39.75 1o72 h ASP 133 CO -0.00 1.29 -0.36 -0.07 -1.61 0.00 0.00 179.24 178.49 1o72 h LEU 134 N 0.65 0.27 -0.26 2.28 3.38 -0.56 -2.95 115.31 118.11 1o72 h LEU 134 Ca 0.02 -0.85 -0.06 0.00 0.09 0.00 0.00 57.88 57.08 1o72 h LEU 134 Cb 1.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1o72 h LEU 134 CO 0.11 1.09 -0.09 0.22 0.09 0.00 0.00 178.44 179.86 1o72 h TYR 135 N -0.52 0.59 -0.33 1.13 3.20 -0.78 -3.20 116.97 117.06 1o72 h TYR 135 Ca -0.05 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1o72 h TYR 135 Cb 1.17 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1o72 h TYR 135 CO 0.20 0.75 0.00 0.66 -1.64 0.00 0.00 178.16 178.12 1o72 n TYR 136 N -4.51 0.67 0.00 -3.82 4.02 -0.40 -4.54 117.16 108.59 1o72 n TYR 136 Ca -0.04 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 1o72 n TYR 136 Cb 0.32 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1o72 n TYR 136 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o72 n GLY 137 N 0.80 0.74 2.24 2.72 0.00 -1.12 -4.99 105.19 105.58 1o72 n GLY 137 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1o72 n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1o72 n ASN 138 N 0.00 0.39 -4.76 1.61 5.15 -1.26 -5.11 115.26 111.28 1o72 n ASN 138 Ca 0.00 -3.01 -0.33 0.00 -0.60 0.00 0.00 54.58 50.64 1o72 n ASN 138 Cb 0.00 -0.38 0.06 0.00 -0.53 0.00 0.00 39.78 38.93 1o72 n ASN 138 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1o72 s PRO 139 N -1.93 2.62 0.45 1.20 0.04 -1.26 -5.04 135.00 131.08 1o72 s PRO 139 Ca 0.38 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1o72 s PRO 139 Cb 0.31 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.87 1o72 s PRO 139 CO -0.09 -1.40 0.80 0.71 0.04 0.00 0.00 177.00 177.06 1o72 s TYR 140 N -2.36 3.52 0.12 0.56 1.51 0.47 -4.85 117.35 116.32 1o72 s TYR 140 Ca 0.67 0.96 0.01 0.00 -1.01 0.00 0.00 57.07 57.71 1o72 s TYR 140 Cb -0.21 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.20 1o72 s TYR 140 CO 0.44 -0.23 0.27 0.50 -1.11 0.00 0.00 175.55 175.43 1o72 s ARG 141 N -4.34 3.45 -1.11 -0.62 3.52 -1.26 -1.01 118.95 117.58 1o72 s ARG 141 Ca 0.50 -0.50 -0.20 0.00 -0.13 0.00 0.00 55.73 55.39 1o72 s ARG 141 Cb -0.10 -2.97 0.07 0.00 -1.56 0.00 0.00 34.95 30.38 1o72 s ARG 141 CO 0.39 0.54 1.51 0.20 -0.81 0.00 0.00 175.30 177.13 1o72 s GLY 142 N -2.96 1.51 -0.09 8.12 0.00 0.26 -4.68 107.32 109.48 1o72 s GLY 142 Ca 0.35 -2.58 0.14 0.00 0.00 0.00 0.00 44.72 42.64 1o72 s GLY 142 CO 0.28 2.60 1.40 2.09 0.00 0.00 0.00 173.10 179.47 1o72 n ASP 143 N 8.33 3.67 -0.84 1.64 5.68 -1.15 -3.30 116.55 130.59 1o72 n ASP 143 Ca 0.37 -2.46 -0.11 0.00 -0.50 0.00 0.00 54.79 52.09 1o72 n ASP 143 Cb 0.49 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 40.00 1o72 n ASP 143 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1o72 n ASN 144 N 0.27 -4.52 -4.41 -1.12 3.02 -0.94 -4.88 115.26 102.68 1o72 n ASN 144 Ca 0.18 0.27 -0.26 0.00 -0.03 0.00 0.00 54.58 54.74 1o72 n ASN 144 Cb 0.69 -2.98 -0.12 0.00 -0.61 0.00 0.00 39.78 36.77 1o72 n ASN 144 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1o72 s GLY 145 N -2.77 1.67 -0.00 7.41 0.00 -1.26 -5.01 107.32 107.36 1o72 s GLY 145 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 44.72 42.88 1o72 s GLY 145 CO 0.00 -1.66 0.64 -0.98 0.00 0.00 0.00 173.10 171.10 1o72 s TRP 146 N -1.73 3.68 0.06 1.90 0.52 -1.26 -4.40 118.94 117.70 1o72 s TRP 146 Ca 0.20 1.25 0.04 0.00 0.02 0.00 0.00 56.10 57.62 1o72 s TRP 146 Cb -0.08 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.55 1o72 s TRP 146 CO 0.10 0.30 -0.12 -1.01 0.02 0.00 0.00 176.95 176.23 1o72 s HIS 147 N -0.04 1.06 0.12 -1.98 3.76 0.10 -4.96 115.29 113.36 1o72 s HIS 147 Ca 0.33 -0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1o72 s HIS 147 Cb -0.19 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.86 1o72 s HIS 147 CO 0.18 0.02 0.10 -1.83 -0.85 0.00 0.00 174.74 172.36 1o72 s GLU 148 N -1.54 0.92 0.00 1.40 4.04 -1.26 0.35 118.70 122.61 1o72 s GLU 148 Ca -0.03 -1.30 0.00 0.00 0.04 0.00 0.00 54.97 53.67 1o72 s GLU 148 Cb -0.09 0.27 0.00 0.00 0.02 0.00 0.00 34.13 34.33 1o72 s GLU 148 CO 0.02 -0.27 0.00 0.36 -1.84 0.00 0.00 175.26 173.52 1o72 n LYS 149 N -0.08 0.00 -3.41 -4.83 2.85 -0.09 -4.97 118.16 107.62 1o72 n LYS 149 Ca -0.08 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.80 1o72 n LYS 149 Cb 0.63 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.95 1o72 n LYS 149 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1o72 s ASN 150 N 0.00 6.74 0.00 -5.58 2.47 -1.26 -1.55 114.94 115.75 1o72 s ASN 150 Ca 0.00 0.87 0.21 0.00 0.42 0.00 0.00 52.86 54.37 1o72 s ASN 150 Cb 0.00 -2.27 -0.17 0.00 -1.45 0.00 0.00 41.25 37.36 1o72 s ASN 150 CO 0.00 0.16 0.95 0.18 -3.72 0.00 0.00 177.10 174.67 1o72 n LEU 151 N 2.77 1.27 0.00 3.21 4.77 -0.78 -4.94 117.00 123.30 1o72 n LEU 151 Ca -0.11 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1o72 n LEU 151 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1o72 n LEU 151 CO 0.40 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1o72 n GLY 152 N 1.48 -1.82 1.87 -0.72 0.00 -1.06 -4.69 105.19 100.23 1o72 n GLY 152 Ca 0.05 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 1o72 n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1o72 n TYR 153 N 0.00 -0.86 0.00 1.61 4.02 -1.26 -0.48 117.16 120.19 1o72 n TYR 153 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1o72 n TYR 153 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 39.34 37.26 1o72 n TYR 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1o72 n GLY 154 N -0.30 2.39 3.84 2.72 0.00 -1.26 -4.99 105.19 107.59 1o72 n GLY 154 Ca -0.09 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1o72 n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o72 s LEU 155 N 0.00 3.14 0.38 0.99 1.43 0.37 -4.70 118.68 120.29 1o72 s LEU 155 Ca 0.00 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.57 1o72 s LEU 155 Cb 0.00 -4.45 0.03 0.00 0.03 0.00 0.00 46.19 41.79 1o72 s LEU 155 CO 0.00 -1.29 0.62 0.00 0.23 0.00 0.00 176.35 175.90 1o72 s ARG 156 N -5.09 2.11 -0.01 1.70 1.70 -0.36 -1.87 118.95 117.12 1o72 s ARG 156 Ca 0.57 -1.68 -0.17 0.00 -0.47 0.00 0.00 55.73 53.98 1o72 s ARG 156 Cb -0.13 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 1o72 s ARG 156 CO 0.55 -0.93 0.36 0.00 -1.08 0.00 0.00 175.30 174.20 1o72 s MET 157 N -2.59 0.73 0.02 3.89 0.23 -0.60 -1.50 119.30 119.48 1o72 s MET 157 Ca 0.25 -0.15 0.05 0.00 -1.03 0.00 0.00 55.69 54.81 1o72 s MET 157 Cb -0.02 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1o72 s MET 157 CO 0.18 -0.21 -0.16 0.21 -2.03 0.00 0.00 175.02 173.01 1o72 s LYS 158 N -1.39 1.14 0.03 3.16 2.47 -1.00 -0.91 119.74 123.25 1o72 s LYS 158 Ca -0.13 -0.69 -0.27 0.00 -1.56 0.00 0.00 55.97 53.32 1o72 s LYS 158 Cb -0.04 -1.15 0.10 0.00 -1.46 0.00 0.00 37.83 35.27 1o72 s LYS 158 CO 0.05 0.30 1.22 0.20 0.16 0.00 0.00 175.35 177.28 1o72 s GLY 159 N -0.79 -0.13 -0.07 5.54 0.00 0.16 -1.48 107.32 110.54 1o72 s GLY 159 Ca 0.05 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.55 1o72 s GLY 159 CO 0.01 3.62 0.69 -1.50 0.00 0.00 0.00 173.10 175.91 1o72 s ILE 160 N -2.17 0.00 -0.03 0.90 2.07 -0.39 -0.73 121.20 120.86 1o72 s ILE 160 Ca 0.24 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.49 1o72 s ILE 160 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1o72 s ILE 160 CO 0.00 0.00 -0.04 -0.32 -1.91 0.00 0.00 174.94 172.67 1o72 s MET 161 N -1.05 0.60 0.92 3.50 -2.45 -1.26 -0.98 119.30 118.58 1o72 s MET 161 Ca -0.10 -0.11 -0.13 0.00 -1.25 0.00 0.00 55.69 54.10 1o72 s MET 161 Cb -0.00 -0.62 0.14 0.00 1.25 0.00 0.00 34.83 35.60 1o72 s MET 161 CO 0.09 -0.01 1.15 0.95 1.05 0.00 0.00 175.02 178.25 1o72 s THR 162 N 0.52 1.98 -0.99 10.11 -4.23 -0.62 -2.21 115.64 120.22 1o72 s THR 162 Ca -0.06 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.67 1o72 s THR 162 Cb -0.10 -2.76 -0.15 0.00 1.34 0.00 0.00 72.50 70.83 1o72 s THR 162 CO -0.00 0.00 1.07 -1.54 -0.54 0.00 0.00 174.62 173.61 1o72 n SER 163 N -3.79 0.82 -4.59 3.99 3.41 -1.21 -4.54 113.62 107.71 1o72 n SER 163 Ca 0.07 -0.73 -0.26 0.00 -0.26 0.00 0.00 58.87 57.69 1o72 n SER 163 Cb 0.59 0.75 0.12 0.00 -0.26 0.00 0.00 64.21 65.41 1o72 n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o72 s ALA 164 N -3.01 3.13 0.44 7.33 0.00 -1.26 -4.69 121.76 123.71 1o72 s ALA 164 Ca 0.09 -1.35 0.31 0.00 0.00 0.00 0.00 51.96 51.01 1o72 s ALA 164 Cb 0.16 -2.39 1.63 0.00 0.00 0.00 0.00 23.12 22.52 1o72 s ALA 164 CO 0.81 -1.68 2.13 0.78 0.00 0.00 0.00 175.76 177.80 1o72 h GLY 165 N -0.85 0.00 -7.69 0.00 0.00 -1.92 -3.22 103.07 89.39 1o72 h GLY 165 Ca -0.41 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.16 1o72 h GLY 165 CO 0.45 0.00 -0.01 -0.54 0.00 0.00 0.00 176.54 176.45 1o72 s GLU 166 N -4.18 3.36 0.14 4.80 2.02 -1.26 -1.33 118.70 122.24 1o72 s GLU 166 Ca -0.03 -2.63 -0.12 0.00 0.02 0.00 0.00 54.97 52.21 1o72 s GLU 166 Cb 0.13 -4.21 -0.07 0.00 0.10 0.00 0.00 34.13 30.08 1o72 s GLU 166 CO 0.55 -1.25 0.50 0.00 0.02 0.00 0.00 175.26 175.08 1o72 s ALA 167 N -0.17 3.63 -0.08 5.21 0.00 -0.52 -4.95 121.76 124.87 1o72 s ALA 167 Ca 0.20 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1o72 s ALA 167 Cb -0.13 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.56 1o72 s ALA 167 CO -0.08 0.50 -0.23 0.15 0.00 0.00 0.00 175.76 176.10 1o72 s LYS 168 N -2.06 2.68 -0.13 0.00 1.02 -1.26 -0.94 119.74 119.06 1o72 s LYS 168 Ca 0.37 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 1o72 s LYS 168 Cb -0.14 -2.15 0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1o72 s LYS 168 CO 0.19 0.27 -0.01 1.41 -0.92 0.00 0.00 175.35 176.28 1o72 s MET 169 N 0.11 0.93 -0.18 1.68 1.75 -0.68 -1.58 119.30 121.34 1o72 s MET 169 Ca -0.11 -0.21 -0.02 0.00 -1.25 0.00 0.00 55.69 54.10 1o72 s MET 169 Cb -0.16 -1.57 -0.01 0.00 2.84 0.00 0.00 34.83 35.94 1o72 s MET 169 CO 0.06 -0.41 -0.10 -1.14 -0.65 0.00 0.00 175.02 172.78 1o72 s GLN 170 N 1.83 3.31 0.03 4.11 0.74 -0.16 -1.19 119.66 128.35 1o72 s GLN 170 Ca 0.03 -0.68 0.03 0.00 0.05 0.00 0.00 55.36 54.79 1o72 s GLN 170 Cb -0.14 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 1o72 s GLN 170 CO -0.07 -0.05 -0.11 0.42 -0.55 0.00 0.00 175.29 174.94 1o72 s ILE 171 N 1.04 0.80 -0.08 -2.34 1.01 -0.12 -1.26 121.20 120.26 1o72 s ILE 171 Ca -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1o72 s ILE 171 Cb -0.15 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1o72 s ILE 171 CO -0.02 -0.12 -0.11 -0.75 0.00 0.00 0.00 174.94 173.95 1o72 s LYS 172 N -1.14 1.61 -0.36 2.79 2.20 -0.55 0.59 119.74 124.87 1o72 s LYS 172 Ca -0.02 -0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.11 1o72 s LYS 172 Cb -0.08 -1.42 0.02 0.00 -1.51 0.00 0.00 37.83 34.84 1o72 s LYS 172 CO 0.01 -0.05 0.22 0.42 -0.36 0.00 0.00 175.35 175.58 1o72 s ILE 173 N 0.93 4.77 0.10 5.43 -1.09 -0.28 -2.37 121.20 128.69 1o72 s ILE 173 Ca -0.10 -0.68 0.09 0.00 -2.23 0.00 0.00 60.65 57.73 1o72 s ILE 173 Cb -0.15 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1o72 s ILE 173 CO 0.01 -0.17 -0.19 -0.44 -1.23 0.00 0.00 174.94 172.92 1o72 s SER 174 N 1.60 3.82 0.00 3.58 0.01 -0.56 0.08 113.70 122.24 1o72 s SER 174 Ca 0.03 -0.54 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1o72 s SER 174 Cb -0.19 -0.54 0.06 0.00 0.21 0.00 0.00 66.02 65.57 1o72 s SER 174 CO 0.08 0.20 0.75 -2.11 0.41 0.00 0.00 173.24 172.56