#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 1.06 -3.81 1.61 7.64 -1.26 -4.79 113.62 114.07 1x48 n SER 2 Ca 0.00 -1.60 -0.09 0.00 1.01 0.00 0.00 58.87 58.19 1x48 n SER 2 Cb 0.00 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 61.68 1x48 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x48 s SER 3 N 8.36 -0.01 0.00 6.43 0.01 -1.26 -5.19 113.70 122.04 1x48 s SER 3 Ca 0.91 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1x48 s SER 3 Cb -0.20 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1x48 s SER 3 CO 0.17 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.19 1x48 n GLY 4 N -0.43 5.52 3.22 3.44 0.00 -1.26 -5.13 105.19 110.55 1x48 n GLY 4 Ca -0.02 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.23 4.76 -0.76 1.61 0.01 -1.26 -5.04 113.70 112.78 1x48 s SER 5 Ca 0.00 -1.03 -0.25 0.00 1.31 0.00 0.00 55.95 55.97 1x48 s SER 5 Cb 0.00 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.44 1x48 s SER 5 CO 0.00 -0.21 2.03 -0.44 0.41 0.00 0.00 173.24 175.03 1x48 s SER 6 N 1.33 4.94 0.00 2.44 0.01 -1.26 -3.99 113.70 117.17 1x48 s SER 6 Ca -0.02 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1x48 s SER 6 Cb -0.18 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1x48 s SER 6 CO -0.01 -2.80 0.00 0.61 0.41 0.00 0.00 173.24 171.44 1x48 n GLY 7 N 6.40 0.79 0.08 3.44 0.00 -1.26 -5.04 105.19 109.60 1x48 n GLY 7 Ca 0.35 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 -0.66 1.61 -1.99 -1.96 -3.35 116.97 110.62 1x48 h TYR 8 Ca 0.00 0.00 0.23 0.00 2.00 0.00 0.00 58.73 60.96 1x48 h TYR 8 Cb 0.00 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.61 1x48 h TYR 8 CO 0.00 0.87 0.18 -0.89 -0.00 0.00 0.00 178.16 178.32 1x48 n ILE 9 N -3.13 -0.28 -0.01 -2.88 2.08 -1.26 0.21 119.36 114.09 1x48 n ILE 9 Ca -0.08 1.40 -0.05 0.00 0.56 0.00 0.00 62.75 64.58 1x48 n ILE 9 Cb 0.94 -2.16 -0.12 0.00 -0.75 0.00 0.00 39.64 37.56 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 -1.26 -1.07 0.35 7.39 0.00 -1.26 -4.32 105.19 105.02 1x48 n GLY 10 Ca 0.20 -0.11 -0.04 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 -1.17 0.21 0.99 3.38 0.23 -1.54 115.31 117.41 1x48 h LEU 11 Ca -0.26 0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1x48 h LEU 11 Cb 1.86 0.60 -0.04 0.00 0.09 0.00 0.00 40.66 43.17 1x48 h LEU 11 CO 0.06 -0.30 -0.45 0.58 0.09 0.00 0.00 178.44 178.42 1x48 h VAL 12 N -0.12 0.10 -0.25 1.22 2.07 -1.68 0.33 116.25 117.93 1x48 h VAL 12 Ca 0.26 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.80 1x48 h VAL 12 Cb 0.56 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1x48 h VAL 12 CO -0.74 0.00 -0.14 0.59 0.02 0.00 0.00 177.57 177.30 1x48 n ASN 13 N -5.49 -0.26 0.25 0.57 3.02 -0.60 -0.80 115.26 111.95 1x48 n ASN 13 Ca -0.09 0.98 -0.16 0.00 -0.03 0.00 0.00 54.58 55.29 1x48 n ASN 13 Cb 0.40 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 39.16 1x48 n ASN 13 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x48 h SER 14 N 0.00 -0.52 -0.45 6.41 4.64 -1.38 -3.23 113.55 119.03 1x48 h SER 14 Ca 0.04 -0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1x48 h SER 14 Cb 0.10 0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 1x48 h SER 14 CO -0.23 -0.30 -0.27 0.33 -0.87 0.00 0.00 176.83 175.50 1x48 n PHE 15 N -5.31 -0.20 -0.13 4.77 -0.00 0.12 -1.01 117.46 115.69 1x48 n PHE 15 Ca -0.11 0.56 -0.04 0.00 -0.00 0.00 0.00 57.45 57.86 1x48 n PHE 15 Cb 0.28 -0.48 -0.04 0.00 -0.00 0.00 0.00 39.48 39.24 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x48 h ALA 16 N -0.06 -0.27 -0.75 3.13 0.00 -0.98 0.25 119.26 120.57 1x48 h ALA 16 Ca 0.07 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1x48 h ALA 16 Cb 0.18 1.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1x48 h ALA 16 CO -0.42 -0.41 -0.33 0.37 0.00 0.00 0.00 179.25 178.46 1x48 h GLN 17 N -0.04 -0.08 -0.95 0.00 4.15 -1.10 0.65 115.11 117.74 1x48 h GLN 17 Ca 0.05 0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.66 1x48 h GLN 17 Cb 0.17 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.80 1x48 h GLN 17 CO -0.32 -0.05 0.60 0.87 -1.93 0.00 0.00 178.83 178.00 1x48 h LYS 18 N -0.08 0.61 -0.75 1.69 6.56 0.39 0.47 116.57 125.46 1x48 h LYS 18 Ca 0.30 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.76 1x48 h LYS 18 Cb 0.57 -0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.04 1x48 h LYS 18 CO -0.80 0.40 0.11 1.63 -2.06 0.00 0.00 179.45 178.73 1x48 n LYS 19 N -4.61 3.60 -4.40 3.15 5.02 0.21 -4.90 118.16 116.22 1x48 n LYS 19 Ca 0.20 -2.43 -0.40 0.00 -2.02 0.00 0.00 58.31 53.66 1x48 n LYS 19 Cb 0.59 -2.06 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.21 -1.14 -2.90 1.97 4.76 0.16 -4.90 118.16 116.32 1x48 n LYS 20 Ca 0.27 0.16 -0.19 0.00 -2.87 0.00 0.00 58.31 55.68 1x48 n LYS 20 Cb 1.09 -4.76 0.04 0.00 -1.84 0.00 0.00 35.03 29.56 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x48 s LEU 21 N -7.14 3.33 -0.22 -0.35 1.43 -0.47 -4.99 118.68 110.28 1x48 s LEU 21 Ca 0.78 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1x48 s LEU 21 Cb -0.45 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1x48 s LEU 21 CO 0.96 -1.15 -0.08 -0.44 0.23 0.00 0.00 176.35 175.87 1x48 s SER 22 N -4.51 4.03 -0.08 2.29 0.01 -1.26 -4.46 113.70 109.72 1x48 s SER 22 Ca 0.59 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 57.26 1x48 s SER 22 Cb -0.08 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1x48 s SER 22 CO 0.37 -0.05 -0.09 0.54 0.41 0.00 0.00 173.24 174.42 1x48 s VAL 23 N 1.39 3.47 0.02 3.43 0.11 -1.26 0.20 120.40 127.77 1x48 s VAL 23 Ca 0.04 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.54 1x48 s VAL 23 Cb -0.15 -2.42 -0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1x48 s VAL 23 CO -0.06 0.58 -0.05 0.20 -3.33 0.00 0.00 175.10 172.44 1x48 s ASN 24 N -0.52 0.47 -0.24 3.54 0.01 0.66 -4.97 114.94 113.89 1x48 s ASN 24 Ca 0.07 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1x48 s ASN 24 Cb -0.12 0.05 0.06 0.00 0.41 0.00 0.00 41.25 41.66 1x48 s ASN 24 CO 0.02 -0.21 -0.03 -0.31 -1.51 0.00 0.00 177.10 175.06 1x48 s TYR 25 N -1.18 2.31 0.23 2.20 1.51 -1.26 -0.11 117.35 121.06 1x48 s TYR 25 Ca -0.11 -1.74 -0.04 0.00 -1.01 0.00 0.00 57.07 54.17 1x48 s TYR 25 Cb -0.08 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.12 1x48 s TYR 25 CO -0.00 -0.77 0.48 -1.21 -1.11 0.00 0.00 175.55 172.93 1x48 s GLU 26 N 1.42 3.62 -0.20 -0.62 8.01 0.37 -4.87 118.70 126.43 1x48 s GLU 26 Ca -0.04 -0.07 0.01 0.00 0.01 0.00 0.00 54.97 54.88 1x48 s GLU 26 Cb -0.19 -2.73 0.04 0.00 -4.31 0.00 0.00 34.13 26.94 1x48 s GLU 26 CO -0.07 0.32 -0.11 -0.65 0.01 0.00 0.00 175.26 174.75 1x48 s GLN 27 N -3.26 2.15 0.17 1.61 -1.52 -1.26 -0.14 119.66 117.41 1x48 s GLN 27 Ca 0.42 -0.87 0.11 0.00 -1.95 0.00 0.00 55.36 53.06 1x48 s GLN 27 Cb -0.11 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 1x48 s GLN 27 CO 0.28 -0.41 -0.23 0.00 -0.25 0.00 0.00 175.29 174.67 1x48 s GLU 29 N -2.51 2.68 0.42 0.00 2.02 -1.26 -2.62 118.70 117.43 1x48 s GLU 29 Ca 0.17 -0.73 -0.24 0.00 0.02 0.00 0.00 54.97 54.19 1x48 s GLU 29 Cb -0.08 -2.61 -0.08 0.00 0.10 0.00 0.00 34.13 31.46 1x48 s GLU 29 CO 0.08 0.58 1.18 -1.25 0.02 0.00 0.00 175.26 175.87 1x48 s PRO 30 N -2.00 3.93 0.16 0.39 0.04 -1.26 -4.94 135.00 131.32 1x48 s PRO 30 Ca 0.24 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 1x48 s PRO 30 Cb -0.12 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 1x48 s PRO 30 CO 0.15 -0.42 1.43 0.09 0.04 0.00 0.00 177.00 178.29 1x48 n ASN 31 N -0.13 -0.92 -4.76 6.66 3.02 -1.26 -4.34 115.26 113.53 1x48 n ASN 31 Ca 0.05 1.64 -0.41 0.00 -0.03 0.00 0.00 54.58 55.84 1x48 n ASN 31 Cb 0.47 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 1x48 n ASN 31 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x48 s SER 32 N -5.44 6.62 0.04 6.41 0.15 -1.26 -4.95 113.70 115.26 1x48 s SER 32 Ca -0.11 2.76 -0.32 0.00 0.70 0.00 0.00 55.95 58.98 1x48 s SER 32 Cb 0.12 -2.64 -0.18 0.00 -1.71 0.00 0.00 66.02 61.61 1x48 s SER 32 CO 0.59 -0.69 1.34 -0.33 1.20 0.00 0.00 173.24 175.35 1x48 h GLU 33 N 4.09 -1.06 -6.40 5.44 3.07 -2.01 -3.45 114.58 114.26 1x48 h GLU 33 Ca -0.48 0.07 -0.62 0.00 -0.50 0.00 0.00 59.36 57.84 1x48 h GLU 33 Cb 1.22 0.24 -0.14 0.00 -0.84 0.00 0.00 28.75 29.24 1x48 h GLU 33 CO 0.71 -0.70 -0.72 -0.51 -1.40 0.00 0.00 179.01 176.40 1x48 s LEU 34 N -9.78 2.98 1.08 1.33 2.01 -1.26 -4.21 118.68 110.83 1x48 s LEU 34 Ca -0.17 -0.61 -0.15 0.00 0.01 0.00 0.00 54.13 53.21 1x48 s LEU 34 Cb 0.02 -1.63 0.23 0.00 0.01 0.00 0.00 46.19 44.82 1x48 s LEU 34 CO 0.52 0.09 1.10 -2.16 1.01 0.00 0.00 176.35 176.90 1x48 s PRO 35 N -2.96 -0.25 -0.49 1.29 0.04 -1.26 -5.06 135.00 126.30 1x48 s PRO 35 Ca 0.26 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.30 1x48 s PRO 35 Cb -0.08 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.80 1x48 s PRO 35 CO 0.16 -3.14 1.26 -1.14 0.04 0.00 0.00 177.00 174.18 1x48 s GLN 36 N -5.12 3.58 -0.15 4.56 2.00 -1.26 -4.99 119.66 118.28 1x48 s GLN 36 Ca 0.67 0.59 0.01 0.00 -2.00 0.00 0.00 55.36 54.63 1x48 s GLN 36 Cb -0.15 -3.99 0.02 0.00 0.80 0.00 0.00 33.01 29.68 1x48 s GLN 36 CO 0.57 -1.57 -0.15 0.50 -0.50 0.00 0.00 175.29 174.14 1x48 s ARG 37 N 4.84 2.36 -0.32 1.67 3.52 -1.26 -4.82 118.95 124.94 1x48 s ARG 37 Ca 0.51 -0.58 -0.21 0.00 -0.13 0.00 0.00 55.73 55.32 1x48 s ARG 37 Cb -0.09 -2.12 -0.00 0.00 -1.56 0.00 0.00 34.95 31.17 1x48 s ARG 37 CO 0.30 -0.21 0.68 -0.06 -0.81 0.00 0.00 175.30 175.20 1x48 s PHE 38 N 1.40 3.19 -0.16 5.12 0.40 0.78 -4.40 117.98 124.31 1x48 s PHE 38 Ca 0.03 0.59 -0.01 0.00 -0.60 0.00 0.00 56.93 56.95 1x48 s PHE 38 Cb -0.13 -3.10 -0.01 0.00 0.51 0.00 0.00 43.02 40.29 1x48 s PHE 38 CO -0.10 -0.54 -0.11 0.42 0.70 0.00 0.00 175.22 175.60 1x48 s ILE 39 N 2.74 3.09 0.32 0.64 1.01 -1.08 -0.78 121.20 127.14 1x48 s ILE 39 Ca 0.27 -0.62 0.10 0.00 0.00 0.00 0.00 60.65 60.40 1x48 s ILE 39 Cb -0.15 -2.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 1x48 s ILE 39 CO 0.13 0.49 -0.13 0.00 0.00 0.00 0.00 174.94 175.43 1x48 s LYS 41 N -3.58 -0.01 -0.44 0.00 1.02 0.81 0.00 119.74 117.54 1x48 s LYS 41 Ca 0.32 0.48 -0.20 0.00 0.02 0.00 0.00 55.97 56.59 1x48 s LYS 41 Cb -0.01 -0.35 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 1x48 s LYS 41 CO 0.16 -0.30 0.59 0.00 -0.92 0.00 0.00 175.35 174.87 1x48 s LYS 43 N 2.62 2.92 -0.43 0.00 1.02 0.85 -2.29 119.74 124.43 1x48 s LYS 43 Ca 0.19 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.64 1x48 s LYS 43 Cb -0.15 -2.70 0.11 0.00 -0.52 0.00 0.00 37.83 34.57 1x48 s LYS 43 CO 0.17 0.65 0.26 0.42 -0.92 0.00 0.00 175.35 175.92 1x48 s ILE 44 N -0.74 3.72 -0.76 2.17 -1.09 0.19 -0.25 121.20 124.44 1x48 s ILE 44 Ca 0.11 -1.87 -0.01 0.00 -2.23 0.00 0.00 60.65 56.66 1x48 s ILE 44 Cb -0.11 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1x48 s ILE 44 CO 0.02 -0.69 0.64 0.61 -1.23 0.00 0.00 174.94 174.29 1x48 n GLY 45 N 4.75 -0.14 2.44 6.18 0.00 0.13 -2.82 105.19 115.73 1x48 n GLY 45 Ca -0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.97 -1.37 -4.67 1.61 1.13 -1.26 -4.98 117.38 104.87 1x48 n GLN 46 Ca -0.17 1.01 -0.29 0.00 -1.94 0.00 0.00 57.00 55.62 1x48 n GLN 46 Cb 0.61 -5.41 -0.17 0.00 0.11 0.00 0.00 30.24 25.37 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 -2.80 1.59 -0.16 5.09 2.01 -1.13 -5.09 115.64 115.15 1x48 s THR 47 Ca 0.00 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 1x48 s THR 47 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1x48 s THR 47 CO 0.00 0.46 1.73 -0.32 -0.69 0.00 0.00 174.62 175.80 1x48 s MET 48 N 0.76 3.84 -0.03 4.92 1.75 -1.26 -0.64 119.30 128.64 1x48 s MET 48 Ca -0.11 1.92 -0.07 0.00 -1.25 0.00 0.00 55.69 56.18 1x48 s MET 48 Cb -0.16 -4.08 -0.02 0.00 2.84 0.00 0.00 34.83 33.41 1x48 s MET 48 CO 0.02 -1.25 -0.13 0.66 -0.65 0.00 0.00 175.02 173.67 1x48 n TYR 49 N 8.42 0.00 -4.02 4.11 4.02 -1.18 -4.93 117.16 123.58 1x48 n TYR 49 Ca 0.20 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 58.01 1x48 n TYR 49 Cb 0.44 -0.19 -0.11 0.00 -0.02 0.00 0.00 39.34 39.47 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 -4.11 0.33 -0.09 2.72 0.00 -0.97 -4.45 107.32 100.75 1x48 s GLY 50 Ca -0.11 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1x48 s GLY 50 CO 0.16 -0.92 -0.10 -1.59 0.00 0.00 0.00 173.10 170.65 1x48 s THR 51 N -2.48 1.11 0.06 0.90 2.01 -1.26 -0.38 115.64 115.60 1x48 s THR 51 Ca -0.06 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1x48 s THR 51 Cb -0.03 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1x48 s THR 51 CO -0.05 0.37 0.05 -0.83 -0.69 0.00 0.00 174.62 173.47 1x48 s GLY 52 N 1.16 1.98 -0.13 4.40 0.00 0.10 -4.62 107.32 110.21 1x48 s GLY 52 Ca -0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1x48 s GLY 52 CO -0.02 -0.97 0.22 -1.35 0.00 0.00 0.00 173.10 170.98 1x48 s SER 53 N -2.20 0.75 0.07 1.64 1.04 -1.26 0.17 113.70 113.90 1x48 s SER 53 Ca 0.27 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.99 1x48 s SER 53 Cb -0.12 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x48 s SER 53 CO 0.19 -0.26 0.09 0.61 0.98 0.00 0.00 173.24 174.85 1x48 n GLY 54 N 5.33 2.92 0.09 7.32 0.00 0.04 -4.81 105.19 116.09 1x48 n GLY 54 Ca -0.05 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.60 1x48 n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x48 n VAL 55 N -0.11 0.89 -5.09 1.61 0.24 -1.26 -0.16 118.33 114.45 1x48 n VAL 55 Ca 0.00 -0.63 -0.29 0.00 -2.04 0.00 0.00 64.34 61.38 1x48 n VAL 55 Cb 0.11 -0.52 -0.16 0.00 -1.47 0.00 0.00 33.84 31.80 1x48 n VAL 55 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x48 s THR 56 N -3.11 1.79 0.08 3.34 2.01 -1.26 -4.37 115.64 114.12 1x48 s THR 56 Ca -0.03 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.88 1x48 s THR 56 Cb 0.09 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1x48 s THR 56 CO 0.81 0.50 1.11 0.29 -0.69 0.00 0.00 174.62 176.65 1x48 n LYS 57 N 2.91 -0.23 -0.08 4.92 4.76 -1.26 -0.86 118.16 128.31 1x48 n LYS 57 Ca -0.17 1.10 -0.14 0.00 -2.87 0.00 0.00 58.31 56.23 1x48 n LYS 57 Cb 0.52 -1.62 -0.09 0.00 -1.84 0.00 0.00 35.03 31.99 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1x48 h GLN 58 N 0.00 -0.43 -0.81 1.97 4.15 -1.96 0.22 115.11 118.25 1x48 h GLN 58 Ca 0.08 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.67 1x48 h GLN 58 Cb 0.22 0.10 -0.13 0.00 0.21 0.00 0.00 27.48 27.87 1x48 h GLN 58 CO -0.50 -0.29 -0.29 -1.91 -1.93 0.00 0.00 178.83 173.91 1x48 n GLU 59 N -5.23 -0.17 0.17 1.69 4.07 -0.04 0.12 120.64 121.25 1x48 n GLU 59 Ca -0.04 1.24 -0.07 0.00 -0.06 0.00 0.00 57.16 58.23 1x48 n GLU 59 Cb 0.34 -1.85 -0.03 0.00 -0.06 0.00 0.00 31.44 29.83 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x48 h ALA 60 N 1.21 -0.65 -0.80 4.31 0.00 -0.61 -2.42 119.26 120.29 1x48 h ALA 60 Ca 0.30 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.34 1x48 h ALA 60 Cb 0.50 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1x48 h ALA 60 CO -0.81 -0.62 1.11 -0.22 0.00 0.00 0.00 179.25 178.72 1x48 h LYS 61 N -0.76 0.00 0.00 0.00 3.64 0.43 0.61 116.57 120.48 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 -0.06 1.96 -2.27 0.00 0.00 179.45 179.16 1x48 h GLN 62 N 0.00 0.00 -0.50 1.90 4.20 -0.24 -3.36 115.11 117.10 1x48 h GLN 62 Ca 0.38 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.19 1x48 h GLN 62 Cb 2.60 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 30.28 1x48 h GLN 62 CO -0.00 0.00 -0.24 -0.07 -0.67 0.00 0.00 178.83 177.85 1x48 h LEU 63 N -0.69 -0.82 -0.69 1.46 3.38 -0.43 -1.67 115.31 115.85 1x48 h LEU 63 Ca 0.00 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1x48 h LEU 63 Cb 0.06 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1x48 h LEU 63 CO 0.00 -0.26 -0.26 0.00 0.09 0.00 0.00 178.44 178.01 1x48 n ALA 64 N -3.01 -0.06 -0.03 1.53 0.00 -0.39 0.10 120.51 118.65 1x48 n ALA 64 Ca 0.04 0.70 -0.08 0.00 0.00 0.00 0.00 53.44 54.10 1x48 n ALA 64 Cb 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 1.00 -0.05 -0.89 0.00 0.00 -1.45 -2.09 119.26 115.77 1x48 h ALA 65 Ca 0.25 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.38 1x48 h ALA 65 Cb 0.42 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 1x48 h ALA 65 CO -0.69 -0.61 -0.33 1.17 0.00 0.00 0.00 179.25 178.78 1x48 n LYS 66 N -5.33 -0.19 -0.03 0.00 4.81 0.29 0.20 118.16 117.90 1x48 n LYS 66 Ca -0.01 1.38 -0.11 0.00 -0.87 0.00 0.00 58.31 58.69 1x48 n LYS 66 Cb 0.25 -2.05 -0.06 0.00 0.02 0.00 0.00 35.03 33.19 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 0.21 -0.95 1.64 4.39 -1.29 -2.51 114.58 116.07 1x48 h GLU 67 Ca 0.33 -0.05 0.16 0.00 0.34 0.00 0.00 59.36 60.14 1x48 h GLU 67 Cb 0.55 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.09 1x48 h GLU 67 CO -0.89 0.34 0.60 0.00 -1.16 0.00 0.00 179.01 177.90 1x48 h ALA 68 N 0.86 1.79 0.59 3.43 0.00 0.41 -1.54 119.26 124.80 1x48 h ALA 68 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1x48 h ALA 68 Cb 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x48 h ALA 68 CO -0.00 -0.08 -0.28 -0.92 0.00 0.00 0.00 179.25 177.97 1x48 h TYR 69 N 0.72 -0.74 -1.01 0.00 3.20 -0.18 -2.83 116.97 116.14 1x48 h TYR 69 Ca 0.50 -0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.59 1x48 h TYR 69 Cb 0.80 0.24 -0.12 0.00 1.54 0.00 0.00 36.73 39.19 1x48 h TYR 69 CO -0.00 -0.40 0.61 1.96 -1.64 0.00 0.00 178.16 178.68 1x48 h GLN 70 N -1.08 0.57 -0.34 1.82 1.08 -1.02 0.52 115.11 116.66 1x48 h GLN 70 Ca -0.08 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1x48 h GLN 70 Cb 0.66 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1x48 h GLN 70 CO 0.13 0.38 0.13 -0.22 -0.95 0.00 0.00 178.83 178.31 1x48 h LYS 71 N 0.59 0.48 0.03 1.46 3.64 -1.22 -2.26 116.57 119.29 1x48 h LYS 71 Ca 0.63 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.72 1x48 h LYS 71 Cb 1.21 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1x48 h LYS 71 CO -0.45 0.40 -1.00 -0.07 -2.27 0.00 0.00 179.45 176.07 1x48 h LEU 72 N 0.48 0.48 -1.81 5.20 3.38 0.24 0.67 115.31 123.94 1x48 h LEU 72 Ca 0.12 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1x48 h LEU 72 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1x48 h LEU 72 CO -0.01 1.23 -0.15 -0.07 0.09 0.00 0.00 178.44 179.53 1x48 h LEU 73 N 0.19 0.00 0.00 1.67 3.38 -0.65 -2.71 115.31 117.19 1x48 h LEU 73 Ca -0.09 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.66 1x48 h LEU 73 Cb 1.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.36 1x48 h LEU 73 CO 0.17 0.15 -1.98 2.29 0.09 0.00 0.00 178.44 179.16 1x48 n LYS 74 N -3.94 1.33 -3.57 1.13 2.85 -0.95 -4.82 118.16 110.19 1x48 n LYS 74 Ca -0.02 -0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.92 1x48 n LYS 74 Cb 0.24 -1.39 -0.12 0.00 -0.65 0.00 0.00 35.03 33.11 1x48 n LYS 74 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x48 s SER 75 N -4.67 3.01 1.01 -5.58 0.01 0.23 -5.10 113.70 102.62 1x48 s SER 75 Ca -0.07 -2.67 -0.12 0.00 1.31 0.00 0.00 55.95 54.39 1x48 s SER 75 Cb 0.06 -0.73 0.20 0.00 0.21 0.00 0.00 66.02 65.75 1x48 s SER 75 CO 0.63 -0.25 1.09 -2.16 0.41 0.00 0.00 173.24 172.97 1x48 s PRO 76 N 0.39 0.32 0.64 12.44 0.04 -1.03 -4.06 135.00 143.74 1x48 s PRO 76 Ca 0.22 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.59 1x48 s PRO 76 Cb -0.16 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 1x48 s PRO 76 CO -0.05 -2.80 1.11 -1.25 0.04 0.00 0.00 177.00 174.05 1x48 s PRO 77 N -4.97 2.88 0.43 0.56 0.04 -1.26 -5.02 135.00 127.67 1x48 s PRO 77 Ca 0.66 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1x48 s PRO 77 Cb -0.19 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1x48 s PRO 77 CO 0.58 -1.19 0.99 0.15 0.04 0.00 0.00 177.00 177.57 1x48 s LYS 78 N -3.98 4.13 -0.88 4.56 3.01 -1.26 -5.01 119.74 120.31 1x48 s LYS 78 Ca 0.68 1.28 -0.04 0.00 -1.01 0.00 0.00 55.97 56.88 1x48 s LYS 78 Cb -0.21 -2.28 0.22 0.00 -1.01 0.00 0.00 37.83 34.55 1x48 s LYS 78 CO 0.39 -0.14 0.78 0.95 0.51 0.00 0.00 175.35 177.85 1x48 s THR 79 N -1.97 4.57 0.05 2.17 -4.23 -1.26 -5.02 115.64 109.94 1x48 s THR 79 Ca 0.62 -3.61 -0.09 0.00 -1.18 0.00 0.00 61.69 57.43 1x48 s THR 79 Cb -0.14 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1x48 s THR 79 CO 0.19 -1.07 0.20 0.00 -0.54 0.00 0.00 174.62 173.39 1x48 s ALA 80 N -1.08 -0.34 0.00 3.99 0.00 -1.26 -5.15 121.76 117.92 1x48 s ALA 80 Ca 0.26 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1x48 s ALA 80 Cb -0.10 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1x48 s ALA 80 CO -0.10 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1x48 n GLY 81 N 0.55 -1.72 3.66 0.00 0.00 -1.26 -4.93 105.19 101.48 1x48 n GLY 81 Ca -0.18 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x48 s THR 82 N 0.00 4.20 0.67 2.61 2.01 -1.26 -5.12 115.64 118.74 1x48 s THR 82 Ca 0.00 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1x48 s THR 82 Cb 0.00 -2.76 0.09 0.00 0.01 0.00 0.00 72.50 69.84 1x48 s THR 82 CO 0.00 0.60 0.93 -0.44 -0.69 0.00 0.00 174.62 175.02 1x48 s SER 83 N -0.81 4.68 0.34 3.53 0.01 -1.26 -5.01 113.70 115.18 1x48 s SER 83 Ca 0.12 -0.18 -0.19 0.00 1.31 0.00 0.00 55.95 57.01 1x48 s SER 83 Cb -0.11 -0.38 -0.14 0.00 0.21 0.00 0.00 66.02 65.59 1x48 s SER 83 CO 0.02 -1.61 0.11 0.61 0.41 0.00 0.00 173.24 172.78 1x48 n GLY 84 N -2.69 -2.34 0.25 3.44 0.00 -1.26 -4.87 105.19 97.72 1x48 n GLY 84 Ca 0.12 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.34 0.88 -3.60 1.61 0.13 -2.07 -3.47 132.00 125.82 1x48 h PRO 85 Ca -0.32 -0.46 -0.28 0.00 -0.87 0.00 0.00 66.00 64.07 1x48 h PRO 85 Cb 1.28 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1x48 h PRO 85 CO 0.42 1.11 -0.35 0.43 -0.23 0.00 0.00 178.00 179.38 1x48 n SER 86 N -4.12 -4.25 -0.10 1.44 7.64 -1.26 -4.84 113.62 108.14 1x48 n SER 86 Ca -0.03 0.16 -0.07 0.00 1.01 0.00 0.00 58.87 59.95 1x48 n SER 86 Cb 0.53 -3.60 0.01 0.00 -1.01 0.00 0.00 64.21 60.14 1x48 n SER 86 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x48 h SER 87 N 0.00 0.14 0.00 6.43 0.87 -2.01 -3.57 113.55 115.41 1x48 h SER 87 Ca -0.33 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1x48 h SER 87 Cb 1.23 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1x48 h SER 87 CO 0.39 0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.42