#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 n SER 2 N 0.00 0.02 -0.30 1.61 3.41 -1.26 -4.65 113.62 112.45 1x48 n SER 2 Ca 0.00 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1x48 n SER 2 Cb 0.00 0.01 0.22 0.00 -0.26 0.00 0.00 64.21 64.18 1x48 n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1x48 h SER 3 N 0.00 -0.37 0.00 4.04 4.64 -2.09 -3.38 113.55 116.39 1x48 h SER 3 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1x48 h SER 3 Cb 0.32 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1x48 h SER 3 CO 0.00 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.33 1x48 n GLY 4 N -1.45 1.23 3.47 -0.77 0.00 -1.26 -5.05 105.19 101.37 1x48 n GLY 4 Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x48 s SER 5 N -1.04 3.83 -0.13 1.61 0.15 -1.26 -5.13 113.70 111.74 1x48 s SER 5 Ca 0.00 -0.50 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 1x48 s SER 5 Cb 0.00 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 1x48 s SER 5 CO 0.00 0.22 0.06 -0.55 1.20 0.00 0.00 173.24 174.17 1x48 s SER 6 N -1.80 5.73 0.12 5.45 0.15 -1.26 -4.69 113.70 117.39 1x48 s SER 6 Ca 0.16 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x48 s SER 6 Cb -0.11 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1x48 s SER 6 CO 0.08 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1x48 n GLY 7 N 2.50 -4.13 0.17 9.45 0.00 -1.26 -4.77 105.19 107.14 1x48 n GLY 7 Ca -0.18 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 1x48 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x48 h TYR 8 N 1.38 0.24 -0.74 1.61 -1.99 -1.96 -3.23 116.97 112.27 1x48 h TYR 8 Ca 0.00 -0.09 0.30 0.00 2.00 0.00 0.00 58.73 60.94 1x48 h TYR 8 Cb 0.00 -0.04 -0.12 0.00 2.00 0.00 0.00 36.73 38.56 1x48 h TYR 8 CO 0.00 0.71 0.42 -0.89 -0.00 0.00 0.00 178.16 178.40 1x48 n ILE 9 N -3.89 -0.28 -0.05 -2.88 2.08 -1.26 0.19 119.36 113.27 1x48 n ILE 9 Ca -0.02 1.40 -0.10 0.00 0.56 0.00 0.00 62.75 64.60 1x48 n ILE 9 Cb 0.59 -2.28 -0.15 0.00 -0.75 0.00 0.00 39.64 37.05 1x48 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x48 n GLY 10 N -1.21 -0.97 0.39 7.39 0.00 -1.22 -4.39 105.19 105.18 1x48 n GLY 10 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1x48 n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x48 h LEU 11 N 0.00 -1.63 0.32 0.99 3.38 0.20 -1.08 115.31 117.50 1x48 h LEU 11 Ca -0.39 0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x48 h LEU 11 Cb 2.10 0.80 -0.03 0.00 0.09 0.00 0.00 40.66 43.61 1x48 h LEU 11 CO 0.06 -0.28 -0.47 0.58 0.09 0.00 0.00 178.44 178.42 1x48 h VAL 12 N -0.03 0.00 -0.72 1.22 2.07 -1.73 0.54 116.25 117.60 1x48 h VAL 12 Ca 0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.91 1x48 h VAL 12 Cb 0.54 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.19 1x48 h VAL 12 CO -0.93 0.00 -0.26 0.59 0.02 0.00 0.00 177.57 176.99 1x48 n ASN 13 N -5.21 -0.42 0.08 0.57 3.02 -0.45 0.20 115.26 113.05 1x48 n ASN 13 Ca -0.10 1.25 -0.09 0.00 -0.03 0.00 0.00 54.58 55.61 1x48 n ASN 13 Cb 0.40 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1x48 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x48 h SER 14 N 0.00 0.27 -0.28 6.41 0.02 -1.06 -3.20 113.55 115.71 1x48 h SER 14 Ca 0.27 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1x48 h SER 14 Cb 0.45 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1x48 h SER 14 CO -0.72 1.01 0.08 0.15 -1.14 0.00 0.00 176.83 176.21 1x48 h PHE 15 N 0.12 0.14 0.49 3.45 3.04 0.76 0.35 116.94 125.29 1x48 h PHE 15 Ca -0.04 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1x48 h PHE 15 Cb 1.49 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.98 1x48 h PHE 15 CO 0.03 0.05 -0.25 0.00 -2.02 0.00 0.00 178.31 176.12 1x48 h ALA 16 N 1.19 -1.16 -0.62 2.41 0.00 -0.69 -0.82 119.26 119.56 1x48 h ALA 16 Ca 0.13 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1x48 h ALA 16 Cb 0.11 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 1x48 h ALA 16 CO -0.15 -1.12 -0.17 0.37 0.00 0.00 0.00 179.25 178.18 1x48 h GLN 17 N -0.67 -0.02 -0.77 0.00 4.15 -1.54 0.39 115.11 116.65 1x48 h GLN 17 Ca -0.07 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.45 1x48 h GLN 17 Cb 0.52 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 1x48 h GLN 17 CO 0.10 -0.01 0.51 0.87 -1.93 0.00 0.00 178.83 178.36 1x48 h LYS 18 N -0.02 0.66 -0.65 1.69 1.57 -0.87 0.18 116.57 119.13 1x48 h LYS 18 Ca 0.30 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1x48 h LYS 18 Cb 0.47 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1x48 h LYS 18 CO -0.65 0.44 0.00 1.63 -0.57 0.00 0.00 179.45 180.30 1x48 n LYS 19 N -4.50 3.60 -2.97 3.15 5.02 0.11 -4.90 118.16 117.67 1x48 n LYS 19 Ca 0.13 -2.34 -0.17 0.00 -2.02 0.00 0.00 58.31 53.92 1x48 n LYS 19 Cb 0.34 -1.94 -0.01 0.00 -0.02 0.00 0.00 35.03 33.41 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x48 n LYS 20 N 0.65 -2.83 -2.78 1.97 5.02 0.64 -4.93 118.16 115.90 1x48 n LYS 20 Ca 0.21 0.42 -0.20 0.00 -2.02 0.00 0.00 58.31 56.71 1x48 n LYS 20 Cb 0.86 -5.05 0.05 0.00 -0.02 0.00 0.00 35.03 30.87 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x48 s LEU 21 N -5.98 3.29 -0.23 -0.35 1.43 0.29 -4.97 118.68 112.15 1x48 s LEU 21 Ca 0.22 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1x48 s LEU 21 Cb -0.12 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.66 1x48 s LEU 21 CO 0.27 -1.21 -0.06 -0.44 0.23 0.00 0.00 176.35 175.13 1x48 s SER 22 N -4.50 4.21 -0.17 2.29 0.01 -1.26 -4.33 113.70 109.96 1x48 s SER 22 Ca 0.59 -0.70 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 1x48 s SER 22 Cb -0.09 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 1x48 s SER 22 CO 0.38 -0.09 -0.00 0.54 0.41 0.00 0.00 173.24 174.49 1x48 s VAL 23 N 1.37 4.20 0.20 3.43 0.11 -1.26 -0.25 120.40 128.20 1x48 s VAL 23 Ca 0.02 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1x48 s VAL 23 Cb -0.16 -2.86 -0.05 0.00 -1.53 0.00 0.00 36.38 31.78 1x48 s VAL 23 CO -0.05 0.48 -0.02 0.20 -3.33 0.00 0.00 175.10 172.38 1x48 s ASN 24 N 0.42 1.64 -0.14 3.54 0.01 0.86 -4.99 114.94 116.29 1x48 s ASN 24 Ca -0.01 -1.16 -0.02 0.00 -0.71 0.00 0.00 52.86 50.96 1x48 s ASN 24 Cb -0.14 0.04 0.04 0.00 0.41 0.00 0.00 41.25 41.60 1x48 s ASN 24 CO 0.02 -0.49 -0.01 -0.31 -1.51 0.00 0.00 177.10 174.80 1x48 s TYR 25 N -3.47 1.12 -0.26 2.20 1.51 -1.25 -0.28 117.35 116.92 1x48 s TYR 25 Ca 0.25 -0.68 -0.21 0.00 -1.01 0.00 0.00 57.07 55.42 1x48 s TYR 25 Cb 0.05 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1x48 s TYR 25 CO 0.06 -0.51 0.64 -2.00 -1.11 0.00 0.00 175.55 172.63 1x48 s GLU 26 N 1.83 4.08 0.45 -0.62 2.56 0.34 -4.79 118.70 122.54 1x48 s GLU 26 Ca 0.02 0.54 -0.14 0.00 0.00 0.00 0.00 54.97 55.39 1x48 s GLU 26 Cb -0.15 -3.66 -0.07 0.00 2.00 0.00 0.00 34.13 32.25 1x48 s GLU 26 CO -0.07 -0.45 0.87 -0.65 -0.56 0.00 0.00 175.26 174.40 1x48 s GLN 27 N 2.55 3.89 0.97 4.30 -1.52 -1.26 -1.12 119.66 127.47 1x48 s GLN 27 Ca 0.27 0.72 -0.13 0.00 -1.95 0.00 0.00 55.36 54.27 1x48 s GLN 27 Cb -0.15 -2.28 0.20 0.00 -0.22 0.00 0.00 33.01 30.56 1x48 s GLN 27 CO 0.09 -0.12 0.45 0.00 -0.25 0.00 0.00 175.29 175.46 1x48 s GLU 29 N -3.55 2.45 0.22 0.00 1.03 -1.26 -5.01 118.70 112.58 1x48 s GLU 29 Ca 0.34 -0.76 0.22 0.00 0.03 0.00 0.00 54.97 54.80 1x48 s GLU 29 Cb -0.06 -2.42 0.92 0.00 -0.80 0.00 0.00 34.13 31.77 1x48 s GLU 29 CO 0.29 0.60 1.67 -0.35 -1.33 0.00 0.00 175.26 176.13 1x48 n PRO 30 N 1.71 0.16 -0.31 -4.83 -0.04 -1.26 -3.81 135.00 126.62 1x48 n PRO 30 Ca -0.16 0.40 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 1x48 n PRO 30 Cb 0.52 -1.81 0.02 0.00 -0.04 0.00 0.00 33.50 32.19 1x48 n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x48 n ASN 31 N -2.12 -0.57 -4.14 3.54 4.13 -1.26 -3.84 115.26 111.00 1x48 n ASN 31 Ca 0.02 1.40 -0.33 0.00 1.68 0.00 0.00 54.58 57.35 1x48 n ASN 31 Cb 0.22 -0.30 -0.15 0.00 -1.54 0.00 0.00 39.78 38.00 1x48 n ASN 31 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x48 s SER 32 N -5.30 3.75 0.06 6.41 0.15 -1.25 -5.01 113.70 112.51 1x48 s SER 32 Ca -0.11 -0.86 -0.24 0.00 0.70 0.00 0.00 55.95 55.44 1x48 s SER 32 Cb 0.15 -1.55 -0.16 0.00 -1.71 0.00 0.00 66.02 62.75 1x48 s SER 32 CO 0.56 -0.07 1.61 -0.33 1.20 0.00 0.00 173.24 176.21 1x48 h GLU 33 N 7.93 -0.09 -6.06 5.44 4.39 -1.87 -3.44 114.58 120.88 1x48 h GLU 33 Ca -0.37 0.01 -0.58 0.00 0.34 0.00 0.00 59.36 58.76 1x48 h GLU 33 Cb 1.11 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 1x48 h GLU 33 CO 0.58 0.04 -0.51 -0.51 -1.16 0.00 0.00 179.01 177.45 1x48 s LEU 34 N -9.96 4.17 0.47 1.33 2.01 -1.26 -3.68 118.68 111.76 1x48 s LEU 34 Ca -0.14 0.12 -0.23 0.00 0.01 0.00 0.00 54.13 53.89 1x48 s LEU 34 Cb 0.05 -2.77 -0.07 0.00 0.01 0.00 0.00 46.19 43.40 1x48 s LEU 34 CO 0.65 0.10 1.16 -2.16 1.01 0.00 0.00 176.35 177.12 1x48 s PRO 35 N -2.90 3.72 -1.12 1.29 0.04 -1.26 -5.04 135.00 129.74 1x48 s PRO 35 Ca 0.33 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 1x48 s PRO 35 Cb -0.12 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 1x48 s PRO 35 CO 0.27 -0.58 1.92 0.94 0.04 0.00 0.00 177.00 179.58 1x48 n GLN 36 N -0.56 1.90 -4.33 4.56 7.27 -1.24 -4.88 117.38 120.11 1x48 n GLN 36 Ca 0.08 -2.45 -0.19 0.00 0.07 0.00 0.00 57.00 54.50 1x48 n GLN 36 Cb 0.48 -3.47 -0.13 0.00 2.41 0.00 0.00 30.24 29.53 1x48 n GLN 36 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1x48 s ARG 37 N 5.56 0.85 -0.05 3.69 1.04 -1.26 -4.91 118.95 123.86 1x48 s ARG 37 Ca 0.62 -0.66 -0.15 0.00 -1.04 0.00 0.00 55.73 54.51 1x48 s ARG 37 Cb 0.05 -0.82 -0.05 0.00 -2.04 0.00 0.00 34.95 32.09 1x48 s ARG 37 CO 0.11 0.20 0.39 -0.06 -0.04 0.00 0.00 175.30 175.91 1x48 s PHE 38 N -0.76 3.64 -0.08 5.89 0.40 0.71 -4.96 117.98 122.82 1x48 s PHE 38 Ca 0.01 0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1x48 s PHE 38 Cb -0.07 -2.34 0.03 0.00 0.51 0.00 0.00 43.02 41.15 1x48 s PHE 38 CO 0.01 0.49 -0.02 0.42 0.70 0.00 0.00 175.22 176.81 1x48 s ILE 39 N -0.50 0.56 -0.17 0.64 -1.09 -1.26 -1.14 121.20 118.23 1x48 s ILE 39 Ca 0.23 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1x48 s ILE 39 Cb -0.16 -0.67 0.01 0.00 -1.58 0.00 0.00 42.46 40.06 1x48 s ILE 39 CO 0.11 0.28 -0.16 0.00 -1.23 0.00 0.00 174.94 173.94 1x48 s LYS 41 N 1.09 2.81 -0.60 0.00 1.02 -0.28 -0.33 119.74 123.46 1x48 s LYS 41 Ca -0.00 -1.22 -0.28 0.00 0.02 0.00 0.00 55.97 54.49 1x48 s LYS 41 Cb -0.14 -3.85 0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1x48 s LYS 41 CO -0.05 -0.83 1.25 0.00 -0.92 0.00 0.00 175.35 174.80 1x48 s LYS 43 N 5.18 2.99 -0.37 0.00 1.02 0.61 -3.04 119.74 126.13 1x48 s LYS 43 Ca 0.44 -0.51 -0.06 0.00 0.02 0.00 0.00 55.97 55.86 1x48 s LYS 43 Cb -0.08 -2.70 0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1x48 s LYS 43 CO 0.24 0.58 0.15 0.42 -0.92 0.00 0.00 175.35 175.83 1x48 s ILE 44 N -0.58 3.72 -1.13 2.17 -1.09 0.28 -0.10 121.20 124.47 1x48 s ILE 44 Ca 0.09 -1.40 -0.05 0.00 -2.23 0.00 0.00 60.65 57.06 1x48 s ILE 44 Cb -0.12 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1x48 s ILE 44 CO 0.02 -0.35 0.97 0.61 -1.23 0.00 0.00 174.94 174.96 1x48 n GLY 45 N 4.78 -0.31 2.21 6.18 0.00 0.66 -2.26 105.19 116.45 1x48 n GLY 45 Ca -0.10 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1x48 n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x48 n GLN 46 N -4.17 -0.72 -4.99 1.61 7.27 -1.26 -5.02 117.38 110.10 1x48 n GLN 46 Ca -0.08 0.57 -0.28 0.00 0.07 0.00 0.00 57.00 57.28 1x48 n GLN 46 Cb 0.58 -4.56 -0.16 0.00 2.41 0.00 0.00 30.24 28.52 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x48 s THR 47 N -2.43 1.66 -0.18 1.69 2.01 -0.96 -5.11 115.64 112.33 1x48 s THR 47 Ca 0.00 -0.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.87 1x48 s THR 47 Cb 0.00 -1.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 1x48 s THR 47 CO 0.00 0.47 1.10 -0.32 -0.69 0.00 0.00 174.62 175.18 1x48 s MET 48 N -0.00 4.29 0.07 4.92 1.75 -1.26 -0.56 119.30 128.51 1x48 s MET 48 Ca -0.05 1.46 -0.02 0.00 -1.25 0.00 0.00 55.69 55.84 1x48 s MET 48 Cb -0.13 -3.64 -0.01 0.00 2.84 0.00 0.00 34.83 33.90 1x48 s MET 48 CO 0.03 -0.57 -0.03 0.66 -0.65 0.00 0.00 175.02 174.46 1x48 n TYR 49 N 6.02 0.00 -3.64 4.11 4.02 -1.20 -4.96 117.16 121.50 1x48 n TYR 49 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1x48 n TYR 49 Cb 0.46 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.68 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x48 s GLY 50 N -4.01 -0.32 0.10 2.72 0.00 -1.17 -4.46 107.32 100.18 1x48 s GLY 50 Ca -0.03 0.44 0.02 0.00 0.00 0.00 0.00 44.72 45.16 1x48 s GLY 50 CO 0.04 0.17 -0.07 -1.08 0.00 0.00 0.00 173.10 172.16 1x48 s THR 51 N -2.29 0.71 0.07 0.90 -1.32 -1.25 -0.18 115.64 112.28 1x48 s THR 51 Ca -0.06 -1.87 0.04 0.00 -1.21 0.00 0.00 61.69 58.59 1x48 s THR 51 Cb -0.01 -1.60 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 1x48 s THR 51 CO -0.01 -0.82 -0.12 -0.83 -2.21 0.00 0.00 174.62 170.63 1x48 s GLY 52 N -2.92 0.76 -0.04 6.08 0.00 0.55 -4.13 107.32 107.61 1x48 s GLY 52 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1x48 s GLY 52 CO -0.04 -1.01 -0.07 -1.35 0.00 0.00 0.00 173.10 170.63 1x48 s SER 53 N -1.83 1.13 0.31 1.64 1.04 -1.26 -1.04 113.70 113.69 1x48 s SER 53 Ca -0.03 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.05 1x48 s SER 53 Cb -0.09 -0.48 0.06 0.00 0.10 0.00 0.00 66.02 65.61 1x48 s SER 53 CO 0.01 -0.01 0.85 -0.83 0.98 0.00 0.00 173.24 174.25 1x48 s GLY 54 N 0.65 0.22 0.13 7.32 0.00 -0.30 -4.69 107.32 110.67 1x48 s GLY 54 Ca -0.10 -0.56 -0.15 0.00 0.00 0.00 0.00 44.72 43.91 1x48 s GLY 54 CO 0.01 0.37 1.63 -0.39 0.00 0.00 0.00 173.10 174.72 1x48 h VAL 55 N 2.00 1.23 -3.58 1.40 -1.51 -1.91 0.20 116.25 114.08 1x48 h VAL 55 Ca -0.29 -0.81 -0.67 0.00 -1.23 0.00 0.00 66.70 63.71 1x48 h VAL 55 Cb 1.24 0.95 -0.16 0.00 -2.13 0.00 0.00 31.29 31.19 1x48 h VAL 55 CO 0.37 0.28 -0.74 -0.89 -1.23 0.00 0.00 177.57 175.36 1x48 s THR 56 N -5.29 3.39 0.14 7.19 2.01 -1.26 -4.10 115.64 117.72 1x48 s THR 56 Ca -0.13 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.36 1x48 s THR 56 Cb 0.10 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.96 1x48 s THR 56 CO 0.77 0.16 1.53 0.50 -0.69 0.00 0.00 174.62 176.90 1x48 h LYS 57 N 3.77 -0.20 -0.53 4.92 3.64 -1.91 -1.90 116.57 124.36 1x48 h LYS 57 Ca -0.49 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1x48 h LYS 57 Cb 1.17 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1x48 h LYS 57 CO 0.52 -0.14 -0.31 0.94 -2.27 0.00 0.00 179.45 178.19 1x48 n GLN 58 N -5.26 -0.23 -0.33 1.90 7.27 -1.26 0.50 117.38 119.97 1x48 n GLN 58 Ca -0.01 1.22 0.19 0.00 0.07 0.00 0.00 57.00 58.47 1x48 n GLN 58 Cb 0.30 -1.81 0.38 0.00 2.41 0.00 0.00 30.24 31.51 1x48 n GLN 58 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1x48 h GLU 59 N 0.00 0.07 0.22 3.69 4.57 -1.75 0.16 114.58 121.54 1x48 h GLU 59 Ca 0.09 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1x48 h GLU 59 Cb 0.22 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1x48 h GLU 59 CO -0.50 0.04 -0.11 0.00 -1.18 0.00 0.00 179.01 177.27 1x48 h ALA 60 N 1.93 -0.69 -0.94 2.92 0.00 0.44 -2.96 119.26 119.96 1x48 h ALA 60 Ca 0.66 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.72 1x48 h ALA 60 Cb 1.49 0.11 -0.18 0.00 0.00 0.00 0.00 17.79 19.21 1x48 h ALA 60 CO -0.81 -0.67 -0.10 -0.22 0.00 0.00 0.00 179.25 177.45 1x48 h LYS 61 N -0.43 0.02 0.00 0.00 3.64 0.04 -0.56 116.57 119.28 1x48 h LYS 61 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1x48 h LYS 61 Cb 0.23 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1x48 h LYS 61 CO 0.05 0.01 0.00 1.04 -2.27 0.00 0.00 179.45 178.28 1x48 n GLN 62 N -5.53 0.00 -0.29 1.90 6.02 0.50 -2.43 117.38 117.55 1x48 n GLN 62 Ca 0.18 0.61 0.05 0.00 -0.01 0.00 0.00 57.00 57.83 1x48 n GLN 62 Cb 0.59 -1.38 0.15 0.00 1.02 0.00 0.00 30.24 30.62 1x48 n GLN 62 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x48 h LEU 63 N 0.00 -0.61 -0.76 1.08 3.38 -1.20 0.62 115.31 117.82 1x48 h LEU 63 Ca 0.00 0.24 0.18 0.00 0.09 0.00 0.00 57.88 58.39 1x48 h LEU 63 Cb 0.00 0.46 -0.14 0.00 0.09 0.00 0.00 40.66 41.07 1x48 h LEU 63 CO 0.00 -0.26 -0.08 0.00 0.09 0.00 0.00 178.44 178.19 1x48 n ALA 64 N -3.21 0.29 -0.01 1.53 0.00 -0.28 0.14 120.51 118.96 1x48 n ALA 64 Ca 0.14 0.82 -0.11 0.00 0.00 0.00 0.00 53.44 54.29 1x48 n ALA 64 Cb 0.49 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 1x48 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x48 h ALA 65 N 1.51 0.14 -0.19 0.00 0.00 -0.76 -2.60 119.26 117.36 1x48 h ALA 65 Ca 0.41 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1x48 h ALA 65 Cb 0.76 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1x48 h ALA 65 CO -0.74 -0.34 -0.11 1.17 0.00 0.00 0.00 179.25 179.22 1x48 n LYS 66 N -4.98 -0.08 -0.20 0.00 4.81 0.36 -0.15 118.16 117.92 1x48 n LYS 66 Ca -0.05 0.94 -0.01 0.00 -0.87 0.00 0.00 58.31 58.32 1x48 n LYS 66 Cb 0.05 -1.41 0.09 0.00 0.02 0.00 0.00 35.03 33.79 1x48 n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x48 h GLU 67 N 0.00 0.46 -0.64 1.64 4.39 -1.55 -2.04 114.58 116.83 1x48 h GLU 67 Ca 0.03 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.84 1x48 h GLU 67 Cb 0.08 -0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.52 1x48 h GLU 67 CO -0.18 0.30 0.04 0.00 -1.16 0.00 0.00 179.01 178.02 1x48 h ALA 68 N 1.37 0.69 0.04 3.43 0.00 -0.14 -2.26 119.26 122.39 1x48 h ALA 68 Ca 0.29 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1x48 h ALA 68 Cb 0.29 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x48 h ALA 68 CO -0.25 -0.38 -0.06 -0.92 0.00 0.00 0.00 179.25 177.64 1x48 h TYR 69 N 0.15 -0.16 -0.91 0.00 3.20 0.19 -2.28 116.97 117.16 1x48 h TYR 69 Ca 0.34 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.44 1x48 h TYR 69 Cb 0.56 0.07 -0.17 0.00 1.54 0.00 0.00 36.73 38.73 1x48 h TYR 69 CO -0.34 -0.07 -0.07 1.04 -1.64 0.00 0.00 178.16 177.07 1x48 n GLN 70 N -2.69 -0.08 -0.09 1.82 1.13 -1.07 0.69 117.38 117.10 1x48 n GLN 70 Ca -0.01 1.38 -0.06 0.00 -1.94 0.00 0.00 57.00 56.37 1x48 n GLN 70 Cb 0.05 -2.15 -0.00 0.00 0.11 0.00 0.00 30.24 28.25 1x48 n GLN 70 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1x48 h LYS 71 N 0.00 -0.10 -0.38 -1.09 1.79 -1.02 -1.90 116.57 113.87 1x48 h LYS 71 Ca 0.51 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.98 1x48 h LYS 71 Cb 0.96 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 1x48 h LYS 71 CO -0.89 -0.07 0.23 -0.07 -1.08 0.00 0.00 179.45 177.57 1x48 h LEU 72 N -0.11 0.46 -1.98 2.94 3.38 0.83 0.14 115.31 120.96 1x48 h LEU 72 Ca 0.17 -0.06 0.29 0.00 0.09 0.00 0.00 57.88 58.37 1x48 h LEU 72 Cb 0.36 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1x48 h LEU 72 CO -0.39 0.38 0.72 -0.07 0.09 0.00 0.00 178.44 179.18 1x48 h LEU 73 N 0.50 0.01 0.00 1.67 3.38 -0.40 -1.79 115.31 118.67 1x48 h LEU 73 Ca 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1x48 h LEU 73 Cb 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1x48 h LEU 73 CO -0.03 0.00 -0.97 0.29 0.09 0.00 0.00 178.44 177.83 1x48 n LYS 74 N -4.24 0.51 -3.83 1.13 4.76 -0.77 -4.75 118.16 110.96 1x48 n LYS 74 Ca 0.21 0.52 -0.32 0.00 -2.87 0.00 0.00 58.31 55.85 1x48 n LYS 74 Cb 1.07 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 32.45 1x48 n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x48 s SER 75 N -6.32 4.91 1.01 4.39 0.01 0.40 -5.08 113.70 113.03 1x48 s SER 75 Ca -0.23 -3.30 -0.12 0.00 1.31 0.00 0.00 55.95 53.60 1x48 s SER 75 Cb 0.05 -1.73 0.20 0.00 0.21 0.00 0.00 66.02 64.74 1x48 s SER 75 CO 0.40 -0.22 1.09 -2.16 0.41 0.00 0.00 173.24 172.77 1x48 s PRO 76 N -0.70 0.31 0.12 12.44 0.04 -0.72 -4.41 135.00 142.08 1x48 s PRO 76 Ca 0.21 0.48 0.18 0.00 0.04 0.00 0.00 61.00 61.91 1x48 s PRO 76 Cb -0.16 -1.73 0.77 0.00 0.04 0.00 0.00 34.50 33.42 1x48 s PRO 76 CO -0.07 -2.80 1.57 -0.35 0.04 0.00 0.00 177.00 175.39 1x48 n PRO 77 N -4.22 0.09 -3.04 0.56 -0.04 -1.26 -4.76 135.00 122.33 1x48 n PRO 77 Ca 0.05 0.33 -0.21 0.00 -0.04 0.00 0.00 63.50 63.63 1x48 n PRO 77 Cb 0.57 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.38 1x48 n PRO 77 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1x48 s LYS 78 N -3.14 2.94 0.01 0.54 -0.14 -1.26 -5.03 119.74 113.66 1x48 s LYS 78 Ca 0.06 -0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 53.60 1x48 s LYS 78 Cb 0.09 -2.63 -0.07 0.00 -1.68 0.00 0.00 37.83 33.54 1x48 s LYS 78 CO 0.32 -0.28 1.67 -0.08 -0.76 0.00 0.00 175.35 176.22 1x48 s THR 79 N -2.48 3.29 0.17 2.17 -1.32 -1.26 -4.94 115.64 111.27 1x48 s THR 79 Ca 0.50 0.56 -0.31 0.00 -1.21 0.00 0.00 61.69 61.22 1x48 s THR 79 Cb -0.10 -3.36 -0.10 0.00 -1.51 0.00 0.00 72.50 67.43 1x48 s THR 79 CO 0.36 -0.03 1.56 0.00 -2.21 0.00 0.00 174.62 174.30 1x48 s ALA 80 N 3.38 3.77 0.00 11.08 0.00 -1.26 -4.80 121.76 133.93 1x48 s ALA 80 Ca 0.75 1.37 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1x48 s ALA 80 Cb -0.37 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1x48 s ALA 80 CO 0.32 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1x48 n GLY 81 N 3.69 -0.37 0.04 0.00 0.00 -1.26 -4.97 105.19 102.32 1x48 n GLY 81 Ca 0.14 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x48 n THR 82 N 3.53 0.51 -3.62 2.61 -2.24 -1.26 -5.02 114.28 108.79 1x48 n THR 82 Ca 0.00 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 1x48 n THR 82 Cb 0.00 -0.81 0.05 0.00 -2.10 0.00 0.00 70.33 67.46 1x48 n THR 82 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x48 n SER 83 N -2.37 -5.54 0.00 3.42 2.88 -1.26 -4.68 113.62 106.06 1x48 n SER 83 Ca -0.13 -0.58 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 1x48 n SER 83 Cb 0.73 -4.41 0.00 0.00 -0.75 0.00 0.00 64.21 59.77 1x48 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x48 n GLY 84 N -1.75 0.45 0.16 0.46 0.00 -1.26 -4.73 105.19 98.51 1x48 n GLY 84 Ca 0.00 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.58 1x48 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x48 h PRO 85 N 0.00 0.00 -6.21 1.61 0.13 -2.04 -3.44 132.00 122.05 1x48 h PRO 85 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1x48 h PRO 85 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1x48 h PRO 85 CO 0.00 0.00 -0.69 -1.12 -0.23 0.00 0.00 178.00 175.96 1x48 s SER 86 N -4.47 4.14 0.08 1.44 0.01 -1.26 -5.11 113.70 108.51 1x48 s SER 86 Ca 0.04 -0.81 -0.28 0.00 1.31 0.00 0.00 55.95 56.21 1x48 s SER 86 Cb 0.09 -0.61 -0.06 0.00 0.21 0.00 0.00 66.02 65.65 1x48 s SER 86 CO 0.41 0.02 0.87 -0.55 0.41 0.00 0.00 173.24 174.40 1x48 s SER 87 N -3.60 7.36 0.00 2.44 0.15 -1.26 -5.01 113.70 113.78 1x48 s SER 87 Ca 0.31 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1x48 s SER 87 Cb -0.06 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1x48 s SER 87 CO 0.18 -0.03 0.26 0.61 1.20 0.00 0.00 173.24 175.46