#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 h SER 2 N 0.00 -0.72 -4.12 1.61 4.64 -2.09 -3.47 113.55 109.40 1x48 h SER 2 Ca 0.00 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1x48 h SER 2 Cb 0.00 0.18 -0.22 0.00 -0.31 0.00 0.00 62.40 62.06 1x48 h SER 2 CO 0.00 -0.40 0.27 -0.55 -0.87 0.00 0.00 176.83 175.28 1x48 s SER 3 N -4.55 -0.61 0.00 4.97 0.15 -1.26 -5.17 113.70 107.23 1x48 s SER 3 Ca -0.16 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x48 s SER 3 Cb 0.02 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1x48 s SER 3 CO 0.53 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1x48 n GLY 4 N 1.85 3.22 3.76 9.45 0.00 -1.26 -5.12 105.19 117.10 1x48 n GLY 4 Ca -0.15 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x48 s SER 5 N 1.00 5.16 0.01 1.61 0.01 -1.26 -5.03 113.70 115.20 1x48 s SER 5 Ca 0.00 2.18 -0.07 0.00 1.31 0.00 0.00 55.95 59.37 1x48 s SER 5 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1x48 s SER 5 CO 0.00 -1.60 0.27 -0.55 0.41 0.00 0.00 173.24 171.77 1x48 s SER 6 N -2.08 6.51 0.00 2.44 0.15 -1.26 -4.86 113.70 114.60 1x48 s SER 6 Ca 0.72 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1x48 s SER 6 Cb -0.25 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1x48 s SER 6 CO 0.36 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.67 1x48 n GLY 7 N 1.16 0.09 0.10 9.45 0.00 -1.26 -5.06 105.19 109.67 1x48 n GLY 7 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1x48 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x48 n TYR 8 N 0.00 0.67 -0.27 1.61 4.02 -1.26 -4.02 117.16 117.91 1x48 n TYR 8 Ca 0.00 0.22 0.25 0.00 -0.01 0.00 0.00 57.90 58.36 1x48 n TYR 8 Cb 0.00 -1.12 0.45 0.00 -0.02 0.00 0.00 39.34 38.66 1x48 n TYR 8 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1x48 n ILE 9 N -3.02 -0.28 -0.02 -0.72 2.08 -1.26 0.23 119.36 116.37 1x48 n ILE 9 Ca -0.25 1.45 -0.03 0.00 0.56 0.00 0.00 62.75 64.48 1x48 n ILE 9 Cb 1.08 -2.37 -0.12 0.00 -0.75 0.00 0.00 39.64 37.48 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 -1.24 -1.09 0.30 7.39 0.00 -1.26 -4.33 105.19 104.95 1x48 n GLY 10 Ca 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.87 0.67 0.99 3.38 0.28 -2.15 115.31 117.61 1x48 h LEU 11 Ca -0.26 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1x48 h LEU 11 Cb 1.76 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 42.98 1x48 h LEU 11 CO 0.04 -0.26 -0.50 0.58 0.09 0.00 0.00 178.44 178.39 1x48 h VAL 12 N -0.10 0.02 -0.73 1.22 2.07 -1.70 0.24 116.25 117.26 1x48 h VAL 12 Ca 0.26 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.88 1x48 h VAL 12 Cb 0.51 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 1x48 h VAL 12 CO -0.65 0.00 -0.33 0.59 0.02 0.00 0.00 177.57 177.20 1x48 n ASN 13 N -5.60 -0.56 -0.04 0.57 3.02 -0.84 0.17 115.26 111.98 1x48 n ASN 13 Ca -0.14 1.29 -0.13 0.00 -0.03 0.00 0.00 54.58 55.57 1x48 n ASN 13 Cb 0.48 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.25 -0.20 6.41 0.02 -1.29 -3.28 113.55 115.47 1x48 h SER 14 Ca 0.22 -0.49 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1x48 h SER 14 Cb 0.40 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 1x48 h SER 14 CO -0.72 0.70 -0.14 0.15 -1.14 0.00 0.00 176.83 175.68 1x48 h PHE 15 N -0.19 -0.44 -0.92 3.45 3.04 0.32 0.12 116.94 122.34 1x48 h PHE 15 Ca 0.01 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.07 1x48 h PHE 15 Cb 0.63 0.22 -0.11 0.00 2.56 0.00 0.00 35.95 39.24 1x48 h PHE 15 CO 0.09 -0.10 -0.54 0.00 -2.02 0.00 0.00 178.31 175.75 1x48 n ALA 16 N -2.98 -0.59 -0.20 2.41 0.00 -0.33 0.16 120.51 118.97 1x48 n ALA 16 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 53.44 54.23 1x48 n ALA 16 Cb 0.07 -0.11 0.11 0.00 0.00 0.00 0.00 19.45 19.52 1x48 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1x48 h GLN 17 N 0.00 0.20 -0.86 0.00 4.15 -1.36 0.27 115.11 117.50 1x48 h GLN 17 Ca 0.15 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.64 1x48 h GLN 17 Cb 0.38 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.96 1x48 h GLN 17 CO -0.86 0.13 0.56 0.87 -1.93 0.00 0.00 178.83 177.60 1x48 h LYS 18 N 0.20 0.86 -0.70 1.69 1.57 0.24 0.84 116.57 121.26 1x48 h LYS 18 Ca 0.33 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1x48 h LYS 18 Cb 0.52 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1x48 h LYS 18 CO -0.46 0.57 0.04 1.63 -0.57 0.00 0.00 179.45 180.66 1x48 n LYS 19 N -4.51 3.84 -3.07 3.15 4.01 0.24 -4.89 118.16 116.93 1x48 n LYS 19 Ca 0.14 -2.40 -0.17 0.00 -0.51 0.00 0.00 58.31 55.37 1x48 n LYS 19 Cb 0.27 -2.08 -0.01 0.00 -0.51 0.00 0.00 35.03 32.70 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x48 n LYS 20 N 0.39 -2.74 -2.83 1.97 5.02 0.29 -4.91 118.16 115.33 1x48 n LYS 20 Ca 0.23 0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 56.67 1x48 n LYS 20 Cb 1.01 -4.96 0.04 0.00 -0.02 0.00 0.00 35.03 31.10 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 -5.99 3.37 -0.17 -0.35 1.43 0.69 -4.98 118.68 112.67 1x48 s LEU 21 Ca 0.26 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1x48 s LEU 21 Cb -0.14 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1x48 s LEU 21 CO 0.32 -1.10 -0.11 -0.44 0.23 0.00 0.00 176.35 175.25 1x48 s SER 22 N -4.46 3.97 -0.18 2.29 0.01 -1.26 -4.28 113.70 109.78 1x48 s SER 22 Ca 0.58 -0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.40 1x48 s SER 22 Cb -0.09 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 1x48 s SER 22 CO 0.37 0.07 -0.05 0.54 0.41 0.00 0.00 173.24 174.58 1x48 s VAL 23 N 0.91 3.54 0.14 3.43 0.11 -1.26 -0.56 120.40 126.71 1x48 s VAL 23 Ca -0.02 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1x48 s VAL 23 Cb -0.15 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 1x48 s VAL 23 CO -0.00 0.46 -0.19 0.20 -3.33 0.00 0.00 175.10 172.24 1x48 s ASN 24 N 0.89 2.54 -0.31 3.54 -0.87 0.13 -4.99 114.94 115.88 1x48 s ASN 24 Ca -0.01 -0.79 0.01 0.00 -1.57 0.00 0.00 52.86 50.50 1x48 s ASN 24 Cb -0.15 -0.14 0.09 0.00 -0.02 0.00 0.00 41.25 41.04 1x48 s ASN 24 CO 0.01 -0.01 0.06 -0.31 -2.57 0.00 0.00 177.10 174.28 1x48 s TYR 25 N -1.72 2.55 -0.19 2.20 1.51 -1.26 0.16 117.35 120.59 1x48 s TYR 25 Ca 0.11 -2.19 -0.14 0.00 -1.01 0.00 0.00 57.07 53.84 1x48 s TYR 25 Cb -0.07 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1x48 s TYR 25 CO 0.05 -0.89 0.30 -1.21 -1.11 0.00 0.00 175.55 172.69 1x48 s GLU 26 N 1.33 4.19 0.16 -0.62 2.02 0.11 -4.87 118.70 121.02 1x48 s GLU 26 Ca 0.08 0.05 0.10 0.00 0.02 0.00 0.00 54.97 55.22 1x48 s GLU 26 Cb -0.18 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 1x48 s GLU 26 CO -0.16 0.11 -0.21 1.14 0.02 0.00 0.00 175.26 176.16 1x48 s GLN 27 N 0.86 1.63 0.35 1.61 0.00 -1.26 -0.53 119.66 122.32 1x48 s GLN 27 Ca 0.15 -1.38 -0.06 0.00 -0.00 0.00 0.00 55.36 54.07 1x48 s GLN 27 Cb -0.14 -1.96 -0.05 0.00 0.00 0.00 0.00 33.01 30.86 1x48 s GLN 27 CO 0.05 0.43 0.65 0.00 0.00 0.00 0.00 175.29 176.42 1x48 s GLU 29 N -3.85 3.27 -0.53 0.00 4.04 -1.26 -4.77 118.70 115.60 1x48 s GLU 29 Ca 0.46 -0.35 -0.27 0.00 0.04 0.00 0.00 54.97 54.86 1x48 s GLU 29 Cb -0.10 -3.01 -0.02 0.00 0.02 0.00 0.00 34.13 31.02 1x48 s GLU 29 CO 0.33 0.69 1.81 -1.25 -1.84 0.00 0.00 175.26 175.00 1x48 s PRO 30 N -1.60 2.86 -0.99 -4.83 0.04 -1.26 -4.91 135.00 124.31 1x48 s PRO 30 Ca 0.22 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.06 1x48 s PRO 30 Cb -0.12 -4.32 0.30 0.00 0.04 0.00 0.00 34.50 30.40 1x48 s PRO 30 CO 0.13 -2.44 1.37 -1.71 0.04 0.00 0.00 177.00 174.39 1x48 n ASN 31 N 11.88 6.00 -3.68 6.66 2.85 -1.26 -4.73 115.26 132.98 1x48 n ASN 31 Ca 0.21 -3.44 -0.24 0.00 -0.11 0.00 0.00 54.58 50.99 1x48 n ASN 31 Cb 0.51 -1.15 0.06 0.00 1.24 0.00 0.00 39.78 40.43 1x48 n ASN 31 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x48 n SER 32 N 1.12 -3.95 -4.08 1.20 2.88 -1.26 -4.99 113.62 104.55 1x48 n SER 32 Ca 0.28 -0.68 -0.29 0.00 -1.33 0.00 0.00 58.87 56.85 1x48 n SER 32 Cb 0.34 -4.52 -0.17 0.00 -0.75 0.00 0.00 64.21 59.12 1x48 n SER 32 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1x48 s GLU 33 N -6.14 2.28 0.23 -1.46 -1.05 -1.26 -5.14 118.70 106.16 1x48 s GLU 33 Ca 0.37 -0.59 0.10 0.00 -0.15 0.00 0.00 54.97 54.70 1x48 s GLU 33 Cb -0.17 -1.89 -0.05 0.00 -0.44 0.00 0.00 34.13 31.58 1x48 s GLU 33 CO 0.78 -0.02 -0.19 -0.51 0.95 0.00 0.00 175.26 176.27 1x48 s LEU 34 N 0.85 2.53 1.11 1.83 2.01 -1.26 -4.32 118.68 121.42 1x48 s LEU 34 Ca -0.09 -0.97 -0.16 0.00 0.01 0.00 0.00 54.13 52.92 1x48 s LEU 34 Cb -0.15 -0.95 0.24 0.00 0.01 0.00 0.00 46.19 45.33 1x48 s LEU 34 CO 0.01 -0.01 1.10 -2.16 1.01 0.00 0.00 176.35 176.29 1x48 s PRO 35 N -3.27 -0.44 -0.57 1.29 0.04 -1.26 -5.05 135.00 125.74 1x48 s PRO 35 Ca 0.24 0.21 -0.28 0.00 0.04 0.00 0.00 61.00 61.21 1x48 s PRO 35 Cb -0.05 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.85 1x48 s PRO 35 CO 0.10 -3.25 1.35 -1.14 0.04 0.00 0.00 177.00 174.10 1x48 s GLN 36 N -5.18 3.37 0.04 4.56 2.00 -1.26 -4.99 119.66 118.19 1x48 s GLN 36 Ca 0.68 0.39 0.08 0.00 -2.00 0.00 0.00 55.36 54.51 1x48 s GLN 36 Cb -0.14 -4.09 -0.03 0.00 0.80 0.00 0.00 33.01 29.55 1x48 s GLN 36 CO 0.57 -1.86 -0.23 -0.98 -0.50 0.00 0.00 175.29 172.29 1x48 s ARG 37 N 5.33 1.60 -0.26 1.67 1.70 -1.26 -4.88 118.95 122.86 1x48 s ARG 37 Ca 0.49 -1.01 -0.07 0.00 -0.47 0.00 0.00 55.73 54.67 1x48 s ARG 37 Cb -0.10 -1.74 -0.02 0.00 -0.57 0.00 0.00 34.95 32.52 1x48 s ARG 37 CO 0.25 0.45 0.07 -0.06 -1.08 0.00 0.00 175.30 174.93 1x48 s PHE 38 N -0.79 3.09 -0.10 5.89 0.40 -0.39 -4.96 117.98 121.13 1x48 s PHE 38 Ca 0.09 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1x48 s PHE 38 Cb -0.09 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 1x48 s PHE 38 CO 0.02 -0.39 -0.11 0.42 0.70 0.00 0.00 175.22 175.86 1x48 s ILE 39 N 1.60 3.29 -0.16 0.64 1.01 -1.26 -0.69 121.20 125.63 1x48 s ILE 39 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1x48 s ILE 39 Cb -0.15 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.01 1x48 s ILE 39 CO 0.03 0.56 -0.01 0.00 0.00 0.00 0.00 174.94 175.52 1x48 s LYS 41 N 1.75 3.70 -0.35 0.00 2.20 0.31 -0.07 119.74 127.28 1x48 s LYS 41 Ca 0.00 -0.48 -0.23 0.00 -0.36 0.00 0.00 55.97 54.90 1x48 s LYS 41 Cb -0.16 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1x48 s LYS 41 CO -0.07 -0.26 0.79 0.00 -0.36 0.00 0.00 175.35 175.45 1x48 s LYS 43 N 3.10 3.39 -0.43 0.00 1.02 0.12 -3.00 119.74 123.95 1x48 s LYS 43 Ca 0.32 -0.63 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 1x48 s LYS 43 Cb -0.13 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1x48 s LYS 43 CO 0.16 -0.07 0.38 0.42 -0.92 0.00 0.00 175.35 175.33 1x48 s ILE 44 N 1.12 5.17 -1.21 2.17 -1.09 0.95 -0.69 121.20 127.62 1x48 s ILE 44 Ca 0.01 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1x48 s ILE 44 Cb -0.15 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1x48 s ILE 44 CO -0.01 -0.41 0.92 0.61 -1.23 0.00 0.00 174.94 174.82 1x48 n GLY 45 N 5.14 -0.41 2.39 6.18 0.00 0.27 -1.79 105.19 116.97 1x48 n GLY 45 Ca -0.09 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1x48 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x48 n GLN 46 N -4.10 -1.25 -4.95 1.61 1.13 -1.26 -4.99 117.38 103.57 1x48 n GLN 46 Ca -0.27 0.93 -0.28 0.00 -1.94 0.00 0.00 57.00 55.43 1x48 n GLN 46 Cb 0.67 -5.26 -0.16 0.00 0.11 0.00 0.00 30.24 25.60 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1x48 s THR 47 N -2.74 1.63 -0.38 5.09 2.01 -0.74 -5.10 115.64 115.41 1x48 s THR 47 Ca 0.00 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 1x48 s THR 47 Cb 0.00 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1x48 s THR 47 CO 0.00 0.46 1.15 -0.32 -0.69 0.00 0.00 174.62 175.23 1x48 s MET 48 N 0.22 3.89 -0.09 4.92 1.75 -1.26 -0.03 119.30 128.70 1x48 s MET 48 Ca -0.10 0.90 -0.11 0.00 -1.25 0.00 0.00 55.69 55.13 1x48 s MET 48 Cb -0.14 -3.84 -0.04 0.00 2.84 0.00 0.00 34.83 33.65 1x48 s MET 48 CO 0.05 -1.15 -0.22 0.66 -0.65 0.00 0.00 175.02 173.70 1x48 n TYR 49 N 7.46 0.00 -3.86 4.11 4.02 -1.16 -4.97 117.16 122.77 1x48 n TYR 49 Ca 0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.92 1x48 n TYR 49 Cb 0.48 -0.32 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 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 -4.50 0.21 0.09 2.72 0.00 -1.19 -4.42 107.32 100.23 1x48 s GLY 50 Ca -0.18 -0.59 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 1x48 s GLY 50 CO 0.27 -0.62 0.12 -1.08 0.00 0.00 0.00 173.10 171.80 1x48 s THR 51 N -3.92 0.15 0.14 0.90 -1.32 -1.25 -0.09 115.64 110.26 1x48 s THR 51 Ca 0.12 -1.49 -0.03 0.00 -1.21 0.00 0.00 61.69 59.09 1x48 s THR 51 Cb 0.02 -1.55 -0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1x48 s THR 51 CO -0.03 -0.68 0.11 -0.83 -2.21 0.00 0.00 174.62 170.98 1x48 s GLY 52 N -2.92 0.87 -0.16 6.08 0.00 0.90 -4.13 107.32 107.96 1x48 s GLY 52 Ca 0.10 -1.33 -0.09 0.00 0.00 0.00 0.00 44.72 43.39 1x48 s GLY 52 CO -0.08 -1.23 0.39 -0.56 0.00 0.00 0.00 173.10 171.62 1x48 s SER 53 N -3.03 -0.47 0.31 1.64 0.01 -1.26 -0.22 113.70 110.69 1x48 s SER 53 Ca 0.23 0.83 -0.17 0.00 1.31 0.00 0.00 55.95 58.15 1x48 s SER 53 Cb 0.06 0.73 0.03 0.00 0.21 0.00 0.00 66.02 67.05 1x48 s SER 53 CO 0.01 -0.18 0.69 -0.83 0.41 0.00 0.00 173.24 173.34 1x48 s GLY 54 N 1.18 0.27 0.43 3.44 0.00 0.14 -4.67 107.32 108.11 1x48 s GLY 54 Ca -0.08 -0.63 0.13 0.00 0.00 0.00 0.00 44.72 44.14 1x48 s GLY 54 CO -0.10 -0.31 1.98 -0.39 0.00 0.00 0.00 173.10 174.28 1x48 h VAL 55 N 2.05 1.13 -4.23 1.40 -1.51 -1.90 -1.03 116.25 112.17 1x48 h VAL 55 Ca -0.25 -0.60 -0.68 0.00 -1.23 0.00 0.00 66.70 63.93 1x48 h VAL 55 Cb 1.25 1.24 -0.26 0.00 -2.13 0.00 0.00 31.29 31.39 1x48 h VAL 55 CO 0.32 0.18 -0.87 -0.89 -1.23 0.00 0.00 177.57 175.07 1x48 s THR 56 N -4.73 2.11 0.11 7.19 2.01 -1.26 -4.60 115.64 116.46 1x48 s THR 56 Ca -0.05 -1.43 -0.23 0.00 0.31 0.00 0.00 61.69 60.29 1x48 s THR 56 Cb 0.16 -1.81 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 1x48 s THR 56 CO 0.71 0.30 1.40 0.50 -0.69 0.00 0.00 174.62 176.84 1x48 h LYS 57 N 4.65 -0.10 -0.83 4.92 1.63 -1.90 -1.42 116.57 123.52 1x48 h LYS 57 Ca -0.47 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.42 1x48 h LYS 57 Cb 1.15 0.02 -0.11 0.00 -0.60 0.00 0.00 32.23 32.70 1x48 h LYS 57 CO 0.43 -0.07 -0.56 0.37 -3.45 0.00 0.00 179.45 176.17 1x48 h GLN 58 N -0.11 -0.08 -0.76 1.90 4.15 -1.96 0.19 115.11 118.44 1x48 h GLN 58 Ca 0.09 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.67 1x48 h GLN 58 Cb 0.35 0.02 -0.14 0.00 0.21 0.00 0.00 27.48 27.92 1x48 h GLN 58 CO -0.60 -0.06 -0.20 -1.91 -1.93 0.00 0.00 178.83 174.13 1x48 n GLU 59 N -5.17 -0.08 0.15 1.69 2.13 -0.55 0.41 120.64 119.22 1x48 n GLU 59 Ca 0.01 1.18 -0.07 0.00 0.66 0.00 0.00 57.16 58.93 1x48 n GLU 59 Cb 0.27 -1.76 -0.03 0.00 0.27 0.00 0.00 31.44 30.19 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x48 h ALA 60 N 1.46 -0.49 -0.78 4.31 0.00 -0.57 -2.69 119.26 120.50 1x48 h ALA 60 Ca 0.35 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.39 1x48 h ALA 60 Cb 0.54 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1x48 h ALA 60 CO -0.78 -0.45 0.96 -0.22 0.00 0.00 0.00 179.25 178.76 1x48 h LYS 61 N -1.04 0.00 0.00 0.00 3.64 0.73 -0.21 116.57 119.70 1x48 h LYS 61 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x48 h LYS 61 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1x48 h LYS 61 CO 0.08 0.00 -0.00 1.96 -2.27 0.00 0.00 179.45 179.22 1x48 h GLN 62 N 0.00 0.00 -0.76 1.90 4.20 -0.03 -3.38 115.11 117.03 1x48 h GLN 62 Ca 0.37 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.25 1x48 h GLN 62 Cb 2.29 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 29.93 1x48 h GLN 62 CO -0.00 0.00 -0.09 -0.07 -0.67 0.00 0.00 178.83 177.99 1x48 h LEU 63 N -0.13 -0.53 -1.02 1.46 3.38 -0.97 0.14 115.31 117.64 1x48 h LEU 63 Ca 0.00 0.21 0.35 0.00 0.09 0.00 0.00 57.88 58.54 1x48 h LEU 63 Cb 0.00 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1x48 h LEU 63 CO 0.00 -0.22 0.65 0.00 0.09 0.00 0.00 178.44 178.96 1x48 n ALA 64 N -3.10 1.01 -0.02 1.53 0.00 -0.18 0.23 120.51 119.98 1x48 n ALA 64 Ca 0.12 0.64 -0.16 0.00 0.00 0.00 0.00 53.44 54.05 1x48 n ALA 64 Cb 0.44 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 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 1.18 0.10 -0.92 0.00 0.00 -0.88 -2.82 119.26 115.91 1x48 h ALA 65 Ca 0.65 -0.49 0.19 0.00 0.00 0.00 0.00 54.91 55.26 1x48 h ALA 65 Cb 2.10 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.72 1x48 h ALA 65 CO -0.35 0.23 -0.19 -0.22 0.00 0.00 0.00 179.25 178.72 1x48 h LYS 66 N -0.20 0.01 0.25 0.00 3.64 0.29 0.13 116.57 120.69 1x48 h LYS 66 Ca -0.04 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1x48 h LYS 66 Cb 1.10 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1x48 h LYS 66 CO 0.08 0.00 -0.12 0.93 -2.27 0.00 0.00 179.45 178.07 1x48 h GLU 67 N 0.01 -0.33 -0.91 1.90 4.39 -1.60 -3.17 114.58 114.87 1x48 h GLU 67 Ca 0.46 0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.37 1x48 h GLU 67 Cb 0.74 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.29 1x48 h GLU 67 CO -0.93 0.03 -0.20 0.00 -1.16 0.00 0.00 179.01 176.75 1x48 h ALA 68 N -0.42 0.66 0.29 3.43 0.00 -0.96 -0.38 119.26 121.86 1x48 h ALA 68 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1x48 h ALA 68 Cb 0.51 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1x48 h ALA 68 CO 0.06 -0.41 -0.52 -0.92 0.00 0.00 0.00 179.25 177.46 1x48 h TYR 69 N 0.00 -1.48 -0.83 0.00 3.20 -0.85 -1.91 116.97 115.10 1x48 h TYR 69 Ca 0.45 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.53 1x48 h TYR 69 Cb 0.71 0.61 -0.15 0.00 1.54 0.00 0.00 36.73 39.44 1x48 h TYR 69 CO -0.68 -0.63 -0.14 1.96 -1.64 0.00 0.00 178.16 177.03 1x48 h GLN 70 N -0.87 0.02 -1.00 1.82 1.08 -1.06 0.61 115.11 115.72 1x48 h GLN 70 Ca -0.03 -0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 1x48 h GLN 70 Cb 0.81 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.16 1x48 h GLN 70 CO -0.19 0.01 0.64 -0.22 -0.95 0.00 0.00 178.83 178.12 1x48 h LYS 71 N 0.02 1.06 -0.37 1.46 3.64 -0.83 -1.56 116.57 119.99 1x48 h LYS 71 Ca 0.42 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1x48 h LYS 71 Cb 0.70 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1x48 h LYS 71 CO -0.82 0.70 -0.03 -0.07 -2.27 0.00 0.00 179.45 176.96 1x48 h LEU 72 N 1.09 0.67 -1.97 5.20 3.38 0.91 -0.16 115.31 124.43 1x48 h LEU 72 Ca 0.46 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1x48 h LEU 72 Cb 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1x48 h LEU 72 CO -0.22 0.84 -0.03 -0.07 0.09 0.00 0.00 178.44 179.05 1x48 h LEU 73 N 0.48 0.00 0.00 1.67 3.38 -0.27 -2.28 115.31 118.28 1x48 h LEU 73 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x48 h LEU 73 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1x48 h LEU 73 CO 0.03 0.03 -0.03 0.11 0.09 0.00 0.00 178.44 178.66 1x48 h LYS 74 N 0.00 0.00 -3.14 1.13 1.57 -1.02 -3.44 116.57 111.67 1x48 h LYS 74 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1x48 h LYS 74 Cb 0.05 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.95 1x48 h LYS 74 CO 0.00 0.00 -0.66 -1.54 -0.57 0.00 0.00 179.45 176.69 1x48 s SER 75 N -3.73 4.16 1.01 0.86 1.04 -0.10 -5.11 113.70 111.83 1x48 s SER 75 Ca -0.01 -3.22 -0.12 0.00 0.48 0.00 0.00 55.95 53.08 1x48 s SER 75 Cb 0.00 -1.44 0.20 0.00 0.10 0.00 0.00 66.02 64.88 1x48 s SER 75 CO 0.01 -0.19 1.09 -2.16 0.98 0.00 0.00 173.24 172.98 1x48 s PRO 76 N -0.52 0.30 0.09 4.02 0.04 -0.86 -4.58 135.00 133.49 1x48 s PRO 76 Ca 0.21 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1x48 s PRO 76 Cb -0.17 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 1x48 s PRO 76 CO -0.07 -2.81 1.38 -1.25 0.04 0.00 0.00 177.00 174.29 1x48 s PRO 77 N -4.96 4.33 -0.01 0.56 0.04 -1.26 -4.95 135.00 128.75 1x48 s PRO 77 Ca 0.66 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.50 1x48 s PRO 77 Cb -0.19 -3.30 -0.19 0.00 0.04 0.00 0.00 34.50 30.86 1x48 s PRO 77 CO 0.58 -0.44 1.21 -0.22 0.04 0.00 0.00 177.00 178.16 1x48 h LYS 78 N 6.95 0.23 -0.70 4.56 3.64 -1.94 -3.32 116.57 126.00 1x48 h LYS 78 Ca -0.42 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 58.87 1x48 h LYS 78 Cb 1.21 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.96 1x48 h LYS 78 CO 0.86 0.78 -0.38 0.25 -2.27 0.00 0.00 179.45 178.70 1x48 n THR 79 N -4.57 -0.45 -5.05 1.00 -2.24 -1.26 -4.20 114.28 97.52 1x48 n THR 79 Ca -0.08 1.68 -0.32 0.00 -2.27 0.00 0.00 64.05 63.06 1x48 n THR 79 Cb 0.41 -2.12 -0.15 0.00 -2.10 0.00 0.00 70.33 66.37 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x48 s ALA 80 N -5.43 2.42 -0.02 6.98 0.00 -1.25 -4.86 121.76 119.59 1x48 s ALA 80 Ca -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1x48 s ALA 80 Cb 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1x48 s ALA 80 CO 0.45 0.43 0.03 0.41 0.00 0.00 0.00 175.76 177.08 1x48 n GLY 81 N 2.85 -0.70 3.67 0.00 0.00 -1.26 -4.61 105.19 105.14 1x48 n GLY 81 Ca -0.17 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x48 s THR 82 N -1.19 4.97 0.06 2.61 -1.32 -1.26 -4.73 115.64 114.78 1x48 s THR 82 Ca 0.01 1.38 -0.34 0.00 -1.21 0.00 0.00 61.69 61.53 1x48 s THR 82 Cb -0.00 -4.02 -0.19 0.00 -1.51 0.00 0.00 72.50 66.77 1x48 s THR 82 CO 0.04 0.10 1.56 -1.28 -2.21 0.00 0.00 174.62 172.83 1x48 h SER 83 N 7.33 -0.86 -5.00 8.08 0.87 -1.94 -3.50 113.55 118.53 1x48 h SER 83 Ca -0.32 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x48 h SER 83 Cb 1.15 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1x48 h SER 83 CO 0.79 -0.60 0.00 0.61 -0.53 0.00 0.00 176.83 177.11 1x48 n GLY 84 N -1.43 2.86 3.55 5.77 0.00 -1.26 -4.81 105.19 109.86 1x48 n GLY 84 Ca -0.14 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1x48 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x48 s PRO 85 N -3.93 2.61 -1.30 1.61 0.04 -1.26 -3.98 135.00 128.79 1x48 s PRO 85 Ca 0.00 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.31 1x48 s PRO 85 Cb 0.00 -4.55 0.13 0.00 0.04 0.00 0.00 34.50 30.12 1x48 s PRO 85 CO 0.00 -2.89 0.32 0.45 0.04 0.00 0.00 177.00 174.93 1x48 n SER 86 N 13.05 -0.81 -3.76 6.66 2.88 -1.26 -4.87 113.62 125.51 1x48 n SER 86 Ca 0.25 -0.90 -0.14 0.00 -1.33 0.00 0.00 58.87 56.74 1x48 n SER 86 Cb 0.51 -1.15 -0.15 0.00 -0.75 0.00 0.00 64.21 62.67 1x48 n SER 86 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x48 s SER 87 N -2.97 -0.04 0.00 -3.46 0.01 -1.26 -5.30 113.70 100.69 1x48 s SER 87 Ca 0.45 0.19 0.21 0.00 1.31 0.00 0.00 55.95 58.12 1x48 s SER 87 Cb -0.26 0.09 1.26 0.00 0.21 0.00 0.00 66.02 67.31 1x48 s SER 87 CO 0.74 -0.14 1.64 0.61 0.41 0.00 0.00 173.24 176.50