#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lo3 s ASN 0 N 0.00 3.81 -1.26 6.43 2.47 -1.26 -5.07 114.94 120.06 3lo3 s ASN 0 Ca 0.00 -1.06 -0.08 0.00 0.42 0.00 0.00 52.86 52.14 3lo3 s ASN 0 Cb 0.00 -0.40 0.18 0.00 -1.45 0.00 0.00 41.25 39.58 3lo3 s ASN 0 CO 0.00 -0.10 1.89 0.00 -3.72 0.00 0.00 177.10 175.17 3lo3 n ALA 1 N -0.76 5.54 -1.60 1.71 0.00 -1.26 -5.01 120.51 119.12 3lo3 n ALA 1 Ca -0.05 -4.35 -0.48 0.00 0.00 0.00 0.00 53.44 48.56 3lo3 n ALA 1 Cb 0.62 -2.87 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 3lo3 n ALA 1 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3lo3 n THR 2 N 2.85 0.75 -4.12 0.00 -1.04 -1.26 -4.19 114.28 107.27 3lo3 n THR 2 Ca 0.41 -0.19 -0.23 0.00 -2.04 0.00 0.00 64.05 62.00 3lo3 n THR 2 Cb 0.34 -1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lo3 s ALA 3 N -0.02 3.55 -0.00 2.41 0.00 0.49 -4.85 121.76 123.34 3lo3 s ALA 3 Ca 0.74 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3lo3 s ALA 3 Cb -0.81 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3lo3 s ALA 3 CO 0.50 0.31 -0.00 0.71 0.00 0.00 0.00 175.76 177.28 3lo3 s TYR 4 N -2.06 0.01 -0.20 0.00 2.02 -0.27 -1.52 117.35 115.33 3lo3 s TYR 4 Ca 0.32 -0.00 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 3lo3 s TYR 4 Cb -0.08 -0.00 -0.00 0.00 -0.40 0.00 0.00 41.96 41.47 3lo3 s TYR 4 CO 0.24 -0.00 -0.09 0.42 -1.57 0.00 0.00 175.55 174.55 3lo3 s ILE 5 N 0.00 3.03 -0.29 2.71 1.01 0.25 -0.44 121.20 127.47 3lo3 s ILE 5 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 3lo3 s ILE 5 Cb -0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 3lo3 s ILE 5 CO -0.00 0.47 0.20 -0.63 0.00 0.00 0.00 174.94 174.98 3lo3 s ILE 6 N 1.24 5.29 -0.22 2.92 1.01 0.61 -1.03 121.20 131.01 3lo3 s ILE 6 Ca 0.03 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 3lo3 s ILE 6 Cb -0.14 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3lo3 s ILE 6 CO -0.04 0.19 0.13 -0.69 0.00 0.00 0.00 174.94 174.54 3lo3 s VAL 7 N 1.75 5.23 -0.23 2.92 1.01 0.34 -1.17 120.40 130.25 3lo3 s VAL 7 Ca 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 3lo3 s VAL 7 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3lo3 s VAL 7 CO 0.11 0.38 -0.05 -0.83 0.00 0.00 0.00 175.10 174.71 3lo3 s GLY 8 N 0.85 1.61 0.19 4.51 0.00 -0.53 -0.98 107.32 112.97 3lo3 s GLY 8 Ca 0.07 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.52 3lo3 s GLY 8 CO 0.03 0.47 0.00 0.48 0.00 0.00 0.00 173.10 174.07 3lo3 s LEU 9 N 1.41 2.11 -0.07 0.66 2.34 -0.81 -0.28 118.68 124.04 3lo3 s LEU 9 Ca 0.04 -1.19 -0.03 0.00 0.06 0.00 0.00 54.13 53.00 3lo3 s LEU 9 Cb -0.15 -0.11 0.04 0.00 -0.56 0.00 0.00 46.19 45.41 3lo3 s LEU 9 CO -0.04 -0.56 0.15 -0.89 -1.06 0.00 0.00 176.35 173.95 3lo3 s THR 10 N -3.60 -0.17 0.36 5.48 2.01 0.11 -0.60 115.64 119.24 3lo3 s THR 10 Ca 0.26 0.29 -0.27 0.00 0.31 0.00 0.00 61.69 62.28 3lo3 s THR 10 Cb 0.06 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.21 3lo3 s THR 10 CO 0.06 0.12 1.17 -2.84 -0.69 0.00 0.00 174.62 172.43 3lo3 s PRO 11 N 1.82 4.23 0.00 4.92 0.02 -1.26 -1.01 135.00 143.72 3lo3 s PRO 11 Ca -0.02 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3lo3 s PRO 11 Cb -0.12 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3lo3 s PRO 11 CO -0.06 -0.17 0.00 1.63 -0.33 0.00 0.00 177.00 178.07 3lo3 n LYS 12 N 0.41 0.00 -2.91 5.54 5.02 0.15 -4.85 118.16 121.51 3lo3 n LYS 12 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 3lo3 n LYS 12 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.42 3lo3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3lo3 s ASP 13 N 0.60 6.35 0.53 4.39 3.68 -1.14 -4.90 116.67 126.17 3lo3 s ASP 13 Ca 0.00 -0.36 0.24 0.00 2.13 0.00 0.00 52.55 54.56 3lo3 s ASP 13 Cb 0.00 -2.41 1.38 0.00 -1.45 0.00 0.00 42.92 40.44 3lo3 s ASP 13 CO 0.00 -1.10 2.02 0.00 0.13 0.00 0.00 175.17 176.21 3lo3 h ALA 14 N 9.18 2.43 -0.32 3.66 0.00 -1.91 -0.89 119.26 131.41 3lo3 h ALA 14 Ca -0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3lo3 h ALA 14 Cb 1.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3lo3 h ALA 14 CO 1.04 -0.56 -0.43 1.49 0.00 0.00 0.00 179.25 180.79 3lo3 h GLU 15 N 0.00 0.81 0.04 0.00 4.57 -1.96 -2.66 114.58 115.39 3lo3 h GLU 15 Ca 0.22 -0.44 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 3lo3 h GLU 15 Cb 0.87 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.49 3lo3 h GLU 15 CO -0.00 1.07 -0.39 0.87 -1.18 0.00 0.00 179.01 179.39 3lo3 h LYS 16 N 0.65 0.18 -1.30 1.92 1.79 -1.56 -3.20 116.57 115.06 3lo3 h LYS 16 Ca 0.05 -0.26 0.39 0.00 -2.18 0.00 0.00 60.65 58.65 3lo3 h LYS 16 Cb 1.00 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.63 3lo3 h LYS 16 CO 0.10 1.06 0.86 -0.07 -1.08 0.00 0.00 179.45 180.32 3lo3 h LEU 17 N -0.56 0.23 -0.13 2.94 3.38 -1.25 0.38 115.31 120.30 3lo3 h LEU 17 Ca -0.06 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3lo3 h LEU 17 Cb 1.23 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3lo3 h LEU 17 CO 0.07 -0.07 -0.16 -0.61 0.09 0.00 0.00 178.44 177.77 3lo3 h GLN 18 N 0.14 0.33 -0.36 1.13 -0.00 -1.48 -1.00 115.11 113.87 3lo3 h GLN 18 Ca 0.74 -0.19 -0.10 0.00 -0.00 0.00 0.00 58.65 59.10 3lo3 h GLN 18 Cb 2.38 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 29.85 3lo3 h GLN 18 CO -0.28 0.75 -0.18 1.96 0.00 0.00 0.00 178.83 181.08 3lo3 h GLN 19 N -0.06 0.68 -0.10 1.69 4.20 -0.96 -2.13 115.11 118.44 3lo3 h GLN 19 Ca 0.02 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3lo3 h GLN 19 Cb 0.70 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3lo3 h GLN 19 CO 0.04 0.82 0.03 -0.92 -0.67 0.00 0.00 178.83 178.12 3lo3 h TYR 20 N 0.61 0.15 -1.08 2.96 3.20 -1.38 -3.17 116.97 118.26 3lo3 h TYR 20 Ca 0.10 -0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.24 3lo3 h TYR 20 Cb 0.64 -0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 3lo3 h TYR 20 CO 0.03 0.30 0.71 0.78 -1.64 0.00 0.00 178.16 178.34 3lo3 h GLY 21 N -0.04 0.93 1.59 1.82 0.00 -0.54 -0.84 103.07 105.99 3lo3 h GLY 21 Ca 0.03 -0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.05 3lo3 h GLY 21 CO -0.00 -0.12 -0.97 0.00 0.00 0.00 0.00 176.54 175.45 3lo3 h ALA 22 N 1.58 0.62 0.00 3.60 0.00 -1.43 -3.37 119.26 120.25 3lo3 h ALA 22 Ca 0.59 -0.73 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3lo3 h ALA 22 Cb 1.71 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3lo3 h ALA 22 CO -0.23 0.89 -1.17 0.00 0.00 0.00 0.00 179.25 178.73 3lo3 h ARG 23 N 0.00 0.00 0.65 0.00 2.47 -1.14 -3.42 114.38 112.95 3lo3 h ARG 23 Ca -0.08 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 3lo3 h ARG 23 Cb 1.55 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.88 3lo3 h ARG 23 CO 0.07 0.16 -0.31 0.28 0.56 0.00 0.00 179.97 180.72 3lo3 h VAL 24 N 0.00 0.00 -0.14 2.04 2.07 -1.64 -3.29 116.25 115.29 3lo3 h VAL 24 Ca -0.08 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3lo3 h VAL 24 Cb 1.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3lo3 h VAL 24 CO 0.02 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.53 3lo3 n ALA 25 N -2.65 -0.09 -0.46 1.67 0.00 -1.26 0.19 120.51 117.90 3lo3 n ALA 25 Ca -0.11 0.12 0.39 0.00 0.00 0.00 0.00 53.44 53.84 3lo3 n ALA 25 Cb 0.35 0.05 0.67 0.00 0.00 0.00 0.00 19.45 20.52 3lo3 n ALA 25 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3lo3 h SER 26 N 0.00 0.22 1.78 0.00 0.02 -1.85 0.15 113.55 113.87 3lo3 h SER 26 Ca 0.02 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3lo3 h SER 26 Cb 0.06 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3lo3 h SER 26 CO -0.13 -0.23 0.00 0.71 -1.14 0.00 0.00 176.83 176.03 3lo3 h THR 27 N 0.04 0.00 -0.02 -2.27 1.35 0.19 -3.33 112.91 108.87 3lo3 h THR 27 Ca 0.86 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 3lo3 h THR 27 Cb 2.73 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.96 3lo3 h THR 27 CO -0.46 0.00 -0.09 -0.07 -0.25 0.00 0.00 175.52 174.65 3lo3 h LEU 28 N 0.00 0.11 -1.71 3.87 3.38 -0.66 -3.37 115.31 116.93 3lo3 h LEU 28 Ca 0.00 -0.67 0.35 0.00 0.09 0.00 0.00 57.88 57.65 3lo3 h LEU 28 Cb 0.89 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 3lo3 h LEU 28 CO 0.00 0.76 0.84 0.00 0.09 0.00 0.00 178.44 180.13 3lo3 h ALA 29 N 0.35 2.84 -0.04 1.53 0.00 -1.67 0.19 119.26 122.45 3lo3 h ALA 29 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3lo3 h ALA 29 Cb 0.76 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3lo3 h ALA 29 CO 0.02 -1.26 -0.63 -0.22 0.00 0.00 0.00 179.25 177.16 3lo3 h LYS 30 N 0.14 0.15 -0.47 0.00 3.64 -1.81 -2.28 116.57 115.94 3lo3 h LYS 30 Ca 0.64 -0.11 -0.20 0.00 -1.27 0.00 0.00 60.65 59.71 3lo3 h LYS 30 Cb 2.18 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 33.90 3lo3 h LYS 30 CO -0.16 0.73 0.08 0.66 -2.27 0.00 0.00 179.45 178.49 3lo3 n TYR 31 N -3.83 1.50 -4.27 1.91 4.01 0.59 -4.94 117.16 112.12 3lo3 n TYR 31 Ca -0.02 -1.45 -0.34 0.00 -0.16 0.00 0.00 57.90 55.93 3lo3 n TYR 31 Cb 0.63 -0.54 -0.06 0.00 -0.31 0.00 0.00 39.34 39.06 3lo3 n TYR 31 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3lo3 n SER 32 N -0.90 -1.13 -4.84 7.72 7.64 -0.82 -4.69 113.62 116.60 3lo3 n SER 32 Ca 0.36 -1.14 -0.32 0.00 1.01 0.00 0.00 58.87 58.77 3lo3 n SER 32 Cb 1.14 -2.22 -0.05 0.00 -1.01 0.00 0.00 64.21 62.08 3lo3 n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3lo3 s GLY 33 N -3.82 2.16 -0.15 0.23 0.00 -0.79 -4.41 107.32 100.55 3lo3 s GLY 33 Ca 0.40 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 45.14 3lo3 s GLY 33 CO 0.96 0.39 0.39 -0.54 0.00 0.00 0.00 173.10 174.31 3lo3 s GLU 34 N -3.64 0.43 -0.52 2.90 2.02 -0.64 -4.48 118.70 114.76 3lo3 s GLU 34 Ca 0.57 0.62 -0.28 0.00 0.02 0.00 0.00 54.97 55.90 3lo3 s GLU 34 Cb -0.10 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.29 3lo3 s GLU 34 CO 0.25 -0.09 1.40 0.08 0.02 0.00 0.00 175.26 176.92 3lo3 s VAL 35 N 0.58 3.83 0.07 2.63 1.01 -1.26 -0.70 120.40 126.56 3lo3 s VAL 35 Ca -0.03 0.76 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 3lo3 s VAL 35 Cb -0.05 -4.39 -0.11 0.00 0.00 0.00 0.00 36.38 31.84 3lo3 s VAL 35 CO -0.04 -1.06 1.49 0.25 0.00 0.00 0.00 175.10 175.74 3lo3 h LEU 36 N 12.81 0.35 -7.00 3.92 5.85 -1.06 -3.48 115.31 126.70 3lo3 h LEU 36 Ca -0.27 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.22 3lo3 h LEU 36 Cb 1.09 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.88 3lo3 h LEU 36 CO 1.15 0.59 0.45 0.54 -0.34 0.00 0.00 178.44 180.84 3lo3 s VAL 37 N -4.93 0.00 -0.01 1.05 0.11 -1.14 -5.01 120.40 110.47 3lo3 s VAL 37 Ca -0.14 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.72 3lo3 s VAL 37 Cb 0.06 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3lo3 s VAL 37 CO 0.73 0.00 0.42 -1.59 -3.33 0.00 0.00 175.10 171.33 3lo3 s LYS 38 N -3.06 0.81 0.00 1.54 -2.85 -1.26 -1.28 119.74 113.65 3lo3 s LYS 38 Ca 0.04 -0.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 3lo3 s LYS 38 Cb -0.01 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 3lo3 s LYS 38 CO -0.09 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 175.53 3lo3 n GLY 39 N 1.03 -0.39 3.75 0.59 0.00 -0.96 -5.01 105.19 104.20 3lo3 n GLY 39 Ca -0.20 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 3lo3 n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lo3 s SER 40 N 0.00 5.44 -0.22 1.61 0.15 -1.26 -2.06 113.70 117.37 3lo3 s SER 40 Ca 0.00 2.66 -0.10 0.00 0.70 0.00 0.00 55.95 59.21 3lo3 s SER 40 Cb 0.00 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3lo3 s SER 40 CO 0.00 -1.44 0.13 -0.69 1.20 0.00 0.00 173.24 172.44 3lo3 s VAL 41 N -1.36 5.24 -0.23 4.45 1.01 -0.81 -4.86 120.40 123.84 3lo3 s VAL 41 Ca 0.70 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 3lo3 s VAL 41 Cb -0.38 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3lo3 s VAL 41 CO 0.45 0.40 0.11 -0.70 0.00 0.00 0.00 175.10 175.35 3lo3 s GLU 42 N 0.73 3.90 -0.03 2.72 2.12 -1.26 -4.98 118.70 121.90 3lo3 s GLU 42 Ca 0.07 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 3lo3 s GLU 42 Cb -0.13 -3.40 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 3lo3 s GLU 42 CO 0.02 0.01 1.71 -0.65 -0.54 0.00 0.00 175.26 175.81 3lo3 s GLN 43 N 1.13 4.18 -0.16 4.30 -1.52 -1.26 -4.86 119.66 121.47 3lo3 s GLN 43 Ca 0.06 2.28 0.07 0.00 -1.95 0.00 0.00 55.36 55.81 3lo3 s GLN 43 Cb -0.14 -3.99 -0.23 0.00 -0.22 0.00 0.00 33.01 28.43 3lo3 s GLN 43 CO 0.04 -0.86 0.20 1.28 -0.25 0.00 0.00 175.29 175.71 3lo3 n LEU 44 N 7.08 1.63 -3.49 2.90 4.77 -1.26 -5.01 117.00 123.62 3lo3 n LEU 44 Ca 0.18 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3lo3 n LEU 44 Cb 0.42 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3lo3 n LEU 44 CO 0.63 0.68 0.50 -2.28 -1.33 0.00 0.00 177.39 175.59 3lo3 s HIS 45 N -2.54 -0.55 0.00 -1.77 5.04 -1.26 -5.15 115.29 109.06 3lo3 s HIS 45 Ca -0.18 0.68 0.00 0.00 -1.54 0.00 0.00 55.06 54.02 3lo3 s HIS 45 Cb 0.07 0.48 0.00 0.00 0.04 0.00 0.00 32.58 33.18 3lo3 s HIS 45 CO 0.75 -0.65 0.00 0.41 -2.34 0.00 0.00 174.74 172.91 3lo3 n GLY 46 N 0.30 0.29 3.43 1.59 0.00 -1.26 -4.89 105.19 104.65 3lo3 n GLY 46 Ca -0.16 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 3lo3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lo3 s LYS 47 N 0.00 1.85 -0.28 1.61 1.02 -1.26 -5.04 119.74 117.64 3lo3 s LYS 47 Ca 0.00 -1.11 0.01 0.00 0.02 0.00 0.00 55.97 54.89 3lo3 s LYS 47 Cb 0.00 -2.09 0.17 0.00 -0.52 0.00 0.00 37.83 35.39 3lo3 s LYS 47 CO 0.00 0.51 0.50 0.12 -0.92 0.00 0.00 175.35 175.56 3lo3 s PHE 48 N -0.97 -1.32 -1.43 3.18 5.36 -1.26 -5.05 117.98 116.48 3lo3 s PHE 48 Ca 0.15 1.07 0.16 0.00 -0.96 0.00 0.00 56.93 57.34 3lo3 s PHE 48 Cb -0.10 0.22 0.80 0.00 -0.34 0.00 0.00 43.02 43.60 3lo3 s PHE 48 CO 0.06 -0.90 1.45 0.39 -1.46 0.00 0.00 175.22 174.76 3lo3 n GLU 49 N 5.39 0.22 -2.14 10.12 1.02 -1.26 -4.78 120.64 129.22 3lo3 n GLU 49 Ca -0.00 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 3lo3 n GLU 49 Cb 0.51 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.45 3lo3 n GLU 49 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3lo3 n HIS 50 N -1.29 -2.15 -0.01 -0.32 8.25 -1.26 -4.97 115.22 113.47 3lo3 n HIS 50 Ca 0.07 -1.02 -0.01 0.00 -0.26 0.00 0.00 57.72 56.51 3lo3 n HIS 50 Cb 0.13 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 3lo3 n HIS 50 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3lo3 n LYS 51 N -1.43 2.87 -4.19 -0.41 5.02 0.23 -4.97 118.16 115.28 3lo3 n LYS 51 Ca 0.05 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 3lo3 n LYS 51 Cb 0.28 -1.09 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo3 s ALA 52 N -2.11 1.09 0.05 7.82 0.00 -1.10 -1.92 121.76 125.58 3lo3 s ALA 52 Ca -0.02 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.36 3lo3 s ALA 52 Cb 0.01 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.21 3lo3 s ALA 52 CO 0.15 -0.52 -0.10 -0.65 0.00 0.00 0.00 175.76 174.63 3lo3 s GLN 53 N -4.09 0.63 0.11 0.00 -0.21 -0.87 -1.92 119.66 113.30 3lo3 s GLN 53 Ca 0.32 -0.78 0.10 0.00 0.02 0.00 0.00 55.36 55.03 3lo3 s GLN 53 Cb 0.07 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.56 3lo3 s GLN 53 CO 0.07 0.10 -0.27 0.08 -2.12 0.00 0.00 175.29 173.16 3lo3 s VAL 54 N -1.24 2.24 -0.22 1.09 1.01 -0.15 -2.25 120.40 120.87 3lo3 s VAL 54 Ca -0.06 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.28 3lo3 s VAL 54 Cb -0.09 -1.96 0.05 0.00 0.00 0.00 0.00 36.38 34.37 3lo3 s VAL 54 CO 0.01 0.16 -0.12 -0.63 0.00 0.00 0.00 175.10 174.52 3lo3 s ILE 55 N -0.99 1.95 -0.12 2.22 1.01 -0.40 -0.50 121.20 124.36 3lo3 s ILE 55 Ca 0.13 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 3lo3 s ILE 55 Cb -0.10 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3lo3 s ILE 55 CO 0.05 0.15 0.16 -0.76 0.00 0.00 0.00 174.94 174.55 3lo3 s LEU 56 N 1.25 4.37 0.10 2.97 1.43 -0.20 -0.38 118.68 128.22 3lo3 s LEU 56 Ca -0.03 0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 3lo3 s LEU 56 Cb -0.17 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3lo3 s LEU 56 CO -0.08 0.37 -0.21 -1.83 0.23 0.00 0.00 176.35 174.83 3lo3 s GLU 57 N -0.83 1.14 0.04 1.70 -1.05 0.12 -0.58 118.70 119.24 3lo3 s GLU 57 Ca 0.15 -1.15 -0.04 0.00 -0.15 0.00 0.00 54.97 53.77 3lo3 s GLU 57 Cb -0.12 -1.40 -0.02 0.00 -0.44 0.00 0.00 34.13 32.15 3lo3 s GLU 57 CO 0.04 0.33 0.06 -0.06 0.95 0.00 0.00 175.26 176.58 3lo3 s PHE 58 N -1.14 0.25 -0.94 4.83 0.08 -0.58 -1.63 117.98 118.86 3lo3 s PHE 58 Ca 0.07 -0.59 0.10 0.00 0.12 0.00 0.00 56.93 56.62 3lo3 s PHE 58 Cb -0.10 -0.18 0.44 0.00 -0.57 0.00 0.00 43.02 42.61 3lo3 s PHE 58 CO 0.04 -0.35 1.32 -2.30 -0.10 0.00 0.00 175.22 173.84 3lo3 n PRO 59 N 0.76 0.02 -3.52 0.24 -0.02 -1.26 -0.38 135.00 130.84 3lo3 n PRO 59 Ca -0.19 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 3lo3 n PRO 59 Cb 0.58 -1.54 -0.02 0.00 -0.02 0.00 0.00 33.50 32.50 3lo3 n PRO 59 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3lo3 s SER 60 N -3.12 -0.33 0.22 2.55 1.04 -1.26 -4.29 113.70 108.52 3lo3 s SER 60 Ca 0.04 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 3lo3 s SER 60 Cb 0.06 0.34 0.24 0.00 0.10 0.00 0.00 66.02 66.76 3lo3 s SER 60 CO 0.18 -0.55 1.86 -0.09 0.98 0.00 0.00 173.24 175.62 3lo3 h ARG 61 N 2.02 0.94 0.00 4.02 2.43 -1.82 -2.39 114.38 119.58 3lo3 h ARG 61 Ca -0.20 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3lo3 h ARG 61 Cb 1.23 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3lo3 h ARG 61 CO 0.30 0.62 -0.02 1.05 -1.51 0.00 0.00 179.97 180.40 3lo3 h GLU 62 N 0.96 0.00 0.13 0.20 4.11 -1.96 -0.13 114.58 117.90 3lo3 h GLU 62 Ca 0.32 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.47 3lo3 h GLU 62 Cb 0.04 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.32 3lo3 h GLU 62 CO -0.12 0.02 -1.18 -0.44 0.07 0.00 0.00 179.01 177.35 3lo3 h ASP 63 N 0.00 0.81 -0.50 3.06 3.32 -1.80 -0.96 116.42 120.35 3lo3 h ASP 63 Ca -0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.21 3lo3 h ASP 63 Cb 0.60 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3lo3 h ASP 63 CO 0.00 1.58 0.31 0.00 -1.72 0.00 0.00 179.24 179.41 3lo3 h ALA 64 N 0.25 0.64 -0.36 3.45 0.00 -1.10 -0.39 119.26 121.75 3lo3 h ALA 64 Ca -0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3lo3 h ALA 64 Cb 1.88 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3lo3 h ALA 64 CO 0.23 0.11 -0.10 -0.92 0.00 0.00 0.00 179.25 178.57 3lo3 h TYR 65 N 0.67 0.78 -0.58 0.00 3.20 -1.06 -2.64 116.97 117.35 3lo3 h TYR 65 Ca 0.18 -0.17 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3lo3 h TYR 65 Cb -0.03 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3lo3 h TYR 65 CO -0.03 0.86 -0.03 -0.91 -1.64 0.00 0.00 178.16 176.41 3lo3 h ASN 66 N 0.49 1.01 0.56 -2.11 2.35 -1.02 -2.69 115.58 114.16 3lo3 h ASN 66 Ca 0.09 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3lo3 h ASN 66 Cb 0.61 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3lo3 h ASN 66 CO 0.04 1.07 -0.33 -0.25 -1.65 0.00 0.00 177.43 176.31 3lo3 h TRP 67 N 0.93 -0.88 -0.16 1.19 7.01 -0.94 0.39 115.95 123.49 3lo3 h TRP 67 Ca 0.16 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.20 3lo3 h TRP 67 Cb 0.58 0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 3lo3 h TRP 67 CO 0.04 -0.51 0.20 -0.92 -2.79 0.00 0.00 178.44 174.46 3lo3 h TYR 68 N -0.84 0.00 -0.16 2.65 3.20 -1.44 0.59 116.97 120.97 3lo3 h TYR 68 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3lo3 h TYR 68 Cb 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3lo3 h TYR 68 CO -0.09 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.15 3lo3 n HIS 69 N -3.67 0.19 -1.75 -3.82 8.25 -0.83 -4.46 115.22 109.13 3lo3 n HIS 69 Ca 0.01 -0.12 -0.38 0.00 -0.26 0.00 0.00 57.72 56.97 3lo3 n HIS 69 Cb 0.31 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.47 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lo3 s SER 70 N -1.47 5.07 0.16 0.41 1.04 0.13 -4.81 113.70 114.23 3lo3 s SER 70 Ca 0.27 2.75 -0.15 0.00 0.48 0.00 0.00 55.95 59.29 3lo3 s SER 70 Cb 0.17 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.69 3lo3 s SER 70 CO 0.25 -1.71 1.80 -0.33 0.98 0.00 0.00 173.24 174.23 3lo3 h GLU 71 N 1.21 0.60 -0.72 4.02 5.08 -1.89 -0.12 114.58 122.76 3lo3 h GLU 71 Ca -0.51 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 57.85 3lo3 h GLU 71 Cb 1.31 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3lo3 h GLU 71 CO 0.56 0.43 0.48 1.05 -1.00 0.00 0.00 179.01 180.53 3lo3 h GLU 72 N 0.59 0.79 0.11 2.33 9.09 -1.93 -1.46 114.58 124.11 3lo3 h GLU 72 Ca 0.16 -0.05 -0.28 0.00 0.05 0.00 0.00 59.36 59.25 3lo3 h GLU 72 Cb -0.02 -0.18 -0.00 0.00 -1.65 0.00 0.00 28.75 26.90 3lo3 h GLU 72 CO -0.03 0.52 -1.30 -0.92 0.05 0.00 0.00 179.01 177.33 3lo3 h TYR 73 N 0.82 0.42 -0.21 2.06 3.20 -1.66 -3.29 116.97 118.31 3lo3 h TYR 73 Ca 0.30 -0.31 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3lo3 h TYR 73 Cb 0.16 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3lo3 h TYR 73 CO -0.00 1.27 -0.22 1.96 -1.64 0.00 0.00 178.16 179.53 3lo3 h GLN 74 N 0.06 0.38 0.00 1.82 1.08 -0.60 -1.14 115.11 116.71 3lo3 h GLN 74 Ca -0.15 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3lo3 h GLN 74 Cb 1.96 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 3lo3 h GLN 74 CO 0.18 0.58 0.06 0.00 -0.95 0.00 0.00 178.83 178.70 3lo3 n ALA 75 N -2.48 0.91 0.31 3.87 0.00 -0.59 -1.70 120.51 120.83 3lo3 n ALA 75 Ca -0.00 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3lo3 n ALA 75 Cb 0.36 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 3lo3 n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lo3 n LEU 76 N -1.66 0.33 -0.19 0.00 4.77 -0.43 -4.60 117.00 115.22 3lo3 n LEU 76 Ca -0.00 -0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 3lo3 n LEU 76 Cb 0.07 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3lo3 n LEU 76 CO 0.02 0.07 1.10 0.40 -1.33 0.00 0.00 177.39 177.65 3lo3 h ILE 77 N 0.00 1.10 -0.86 -0.08 2.04 -1.39 -1.06 117.51 117.27 3lo3 h ILE 77 Ca 0.00 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3lo3 h ILE 77 Cb 0.84 0.32 -0.11 0.00 -0.74 0.00 0.00 36.82 37.13 3lo3 h ILE 77 CO 0.00 0.13 -0.49 -1.20 0.00 0.00 0.00 178.15 176.59 3lo3 n SER 78 N -4.73 -0.88 0.12 1.72 7.64 -1.26 -0.98 113.62 115.26 3lo3 n SER 78 Ca 0.04 1.52 0.03 0.00 1.01 0.00 0.00 58.87 61.48 3lo3 n SER 78 Cb 0.06 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.06 3lo3 n SER 78 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3lo3 h THR 79 N 0.00 0.68 -0.31 0.44 1.35 -1.77 -3.03 112.91 110.27 3lo3 h THR 79 Ca 0.15 -2.01 0.03 0.00 -0.55 0.00 0.00 66.41 64.03 3lo3 h THR 79 Cb 0.37 2.27 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 3lo3 h THR 79 CO -0.81 0.39 0.11 -0.09 -0.25 0.00 0.00 175.52 174.86 3lo3 h ARG 80 N 0.00 0.24 0.00 4.72 2.43 0.14 0.67 114.38 122.58 3lo3 h ARG 80 Ca -0.03 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3lo3 h ARG 80 Cb 1.37 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3lo3 h ARG 80 CO 0.05 0.16 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.87 3lo3 h ASP 81 N 0.24 0.00 0.72 -3.80 3.45 -1.03 -0.02 116.42 115.98 3lo3 h ASP 81 Ca 0.14 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.50 3lo3 h ASP 81 Cb 0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 3lo3 h ASP 81 CO -0.14 0.35 -0.46 -0.07 -1.57 0.00 0.00 179.24 177.35 3lo3 h LEU 82 N 0.00 0.00 -0.46 1.55 3.38 -1.36 -3.42 115.31 115.01 3lo3 h LEU 82 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3lo3 h LEU 82 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3lo3 h LEU 82 CO 0.05 0.46 -0.63 1.23 0.09 0.00 0.00 178.44 179.64 3lo3 h GLY 83 N 1.89 0.00 -6.97 0.83 0.00 0.12 -3.18 103.07 95.76 3lo3 h GLY 83 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.70 3lo3 h GLY 83 CO 0.06 0.00 -0.53 0.99 0.00 0.00 0.00 176.54 177.06 3lo3 s ASP 85 N -6.62 5.89 0.07 0.19 -0.00 -0.18 0.31 116.67 116.33 3lo3 s ASP 85 Ca 0.01 0.06 0.02 0.00 -0.00 0.00 0.00 52.55 52.64 3lo3 s ASP 85 Cb 0.10 -2.06 -0.03 0.00 -0.00 0.00 0.00 42.92 40.94 3lo3 s ASP 85 CO 0.75 0.07 -0.08 -0.94 -0.00 0.00 0.00 175.17 174.97 3lo3 s SER 86 N 1.03 1.07 -0.04 0.27 1.04 -1.26 0.08 113.70 115.89 3lo3 s SER 86 Ca 0.06 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 55.81 3lo3 s SER 86 Cb -0.14 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 3lo3 s SER 86 CO 0.04 -0.30 -0.25 0.00 0.98 0.00 0.00 173.24 173.71 3lo3 s GLN 87 N -2.56 2.26 -0.27 4.02 -2.07 0.61 -4.99 119.66 116.66 3lo3 s GLN 87 Ca 0.00 -0.89 0.01 0.00 -1.82 0.00 0.00 55.36 52.67 3lo3 s GLN 87 Cb -0.04 -2.04 0.07 0.00 -1.09 0.00 0.00 33.01 29.92 3lo3 s GLN 87 CO -0.01 0.45 -0.01 -0.06 -1.32 0.00 0.00 175.29 174.33 3lo3 s PHE 88 N -0.36 2.64 -0.21 9.60 0.08 -1.26 -1.45 117.98 127.02 3lo3 s PHE 88 Ca 0.03 -2.05 -0.08 0.00 0.12 0.00 0.00 56.93 54.94 3lo3 s PHE 88 Cb -0.12 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3lo3 s PHE 88 CO 0.01 -0.83 0.10 -0.65 -0.10 0.00 0.00 175.22 173.75 3lo3 s GLN 89 N 1.31 3.98 -0.27 0.44 1.11 -0.32 -4.92 119.66 120.98 3lo3 s GLN 89 Ca -0.00 -0.33 -0.10 0.00 0.01 0.00 0.00 55.36 54.94 3lo3 s GLN 89 Cb -0.19 -3.34 -0.05 0.00 -1.01 0.00 0.00 33.01 28.43 3lo3 s GLN 89 CO -0.09 0.16 0.16 -1.17 0.01 0.00 0.00 175.29 174.36 3lo3 s LEU 90 N 0.72 3.90 -0.10 2.90 1.98 -1.26 -0.29 118.68 126.53 3lo3 s LEU 90 Ca 0.05 -0.05 0.03 0.00 -2.89 0.00 0.00 54.13 51.28 3lo3 s LEU 90 Cb -0.13 -2.08 0.00 0.00 0.66 0.00 0.00 46.19 44.65 3lo3 s LEU 90 CO 0.02 -0.04 -0.22 0.27 -1.89 0.00 0.00 176.35 174.49 3lo3 s ILE 91 N 1.70 1.92 0.00 6.68 -4.36 0.42 -5.00 121.20 122.56 3lo3 s ILE 91 Ca 0.07 -0.93 0.00 0.00 -0.26 0.00 0.00 60.65 59.53 3lo3 s ILE 91 Cb -0.16 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.88 3lo3 s ILE 91 CO 0.09 0.53 0.00 0.61 0.24 0.00 0.00 174.94 176.41