#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i92 h MET 10 N 0.00 1.04 -6.84 1.61 0.00 -2.08 -3.45 114.93 105.21 1i92 h MET 10 Ca 0.00 -0.28 -0.48 0.00 0.00 0.00 0.00 59.70 58.94 1i92 h MET 10 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 31.60 31.46 1i92 h MET 10 CO 0.00 0.97 0.36 -0.51 0.00 0.00 0.00 176.91 177.73 1i92 s LEU 11 N -9.39 4.45 0.79 1.22 1.43 -1.26 -5.02 118.68 110.90 1i92 s LEU 11 Ca -0.11 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 1i92 s LEU 11 Cb 0.14 -3.86 0.07 0.00 0.03 0.00 0.00 46.19 42.57 1i92 s LEU 11 CO 0.84 -0.02 1.13 -2.84 0.23 0.00 0.00 176.35 175.69 1i92 s PRO 12 N -1.75 1.94 0.14 1.29 0.02 -1.26 -4.92 135.00 130.46 1i92 s PRO 12 Ca 0.47 1.40 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 1i92 s PRO 12 Cb -0.22 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 1i92 s PRO 12 CO 0.28 -1.91 1.45 0.50 -0.33 0.00 0.00 177.00 176.99 1i92 s ARG 13 N -4.58 4.28 -0.25 5.54 3.52 -1.21 -4.90 118.95 121.35 1i92 s ARG 13 Ca 0.65 2.18 -0.02 0.00 -0.13 0.00 0.00 55.73 58.42 1i92 s ARG 13 Cb -0.21 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1i92 s ARG 13 CO 0.53 -0.49 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.31 1i92 s LEU 14 N 1.03 3.22 -0.29 -0.88 2.96 -1.26 -1.44 118.68 122.02 1i92 s LEU 14 Ca 0.66 -0.84 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1i92 s LEU 14 Cb -0.39 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1i92 s LEU 14 CO 0.31 -0.13 0.11 0.00 -1.32 0.00 0.00 176.35 175.32 1i92 s LEU 17 N 1.57 2.64 -0.25 0.00 1.02 0.61 -4.80 118.68 119.47 1i92 s LEU 17 Ca 0.03 -0.37 -0.09 0.00 0.02 0.00 0.00 54.13 53.72 1i92 s LEU 17 Cb -0.18 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 1i92 s LEU 17 CO 0.06 0.14 0.11 -1.61 0.02 0.00 0.00 176.35 175.07 1i92 s GLU 18 N 0.52 3.82 0.29 1.70 2.02 -1.26 -0.64 118.70 125.15 1i92 s GLU 18 Ca -0.09 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 1i92 s GLU 18 Cb -0.16 -3.42 -0.10 0.00 0.10 0.00 0.00 34.13 30.55 1i92 s GLU 18 CO 0.04 -0.10 1.41 0.21 0.02 0.00 0.00 175.26 176.84 1i92 s LYS 19 N 1.43 4.27 0.17 1.61 2.20 -0.66 -4.78 119.74 123.98 1i92 s LYS 19 Ca 0.06 2.31 0.02 0.00 -0.36 0.00 0.00 55.97 58.00 1i92 s LYS 19 Cb -0.15 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1i92 s LYS 19 CO 0.06 -0.36 0.14 0.41 -0.36 0.00 0.00 175.35 175.23 1i92 n GLY 20 N 1.56 2.83 0.26 5.54 0.00 -0.98 -4.97 105.19 109.43 1i92 n GLY 20 Ca 0.04 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1i92 n GLY 20 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i92 h PRO 21 N 0.00 -0.27 -1.03 1.61 0.11 -2.02 -2.46 132.00 127.95 1i92 h PRO 21 Ca -0.10 0.02 -0.47 0.00 0.11 0.00 0.00 66.00 65.56 1i92 h PRO 21 Cb 0.39 0.06 -0.26 0.00 0.11 0.00 0.00 31.00 31.30 1i92 h PRO 21 CO 0.16 -0.18 0.60 0.09 -0.21 0.00 0.00 178.00 178.46 1i92 n ASN 22 N -5.36 4.36 0.00 -2.05 4.13 -1.26 -5.04 115.26 110.05 1i92 n ASN 22 Ca -0.02 -3.41 0.00 0.00 1.68 0.00 0.00 54.58 52.82 1i92 n ASN 22 Cb 0.27 -0.83 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 1i92 n ASN 22 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i92 n GLY 23 N -0.84 -0.80 0.09 7.41 0.00 -0.93 -4.43 105.19 105.69 1i92 n GLY 23 Ca 0.52 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1i92 n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i92 n TYR 24 N 0.00 0.92 -0.54 1.61 4.01 -1.26 -2.31 117.16 119.59 1i92 n TYR 24 Ca 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.06 1i92 n TYR 24 Cb 0.00 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 37.86 1i92 n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i92 n GLY 25 N 1.60 1.20 3.32 2.72 0.00 -1.26 -1.47 105.19 111.30 1i92 n GLY 25 Ca -0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1i92 n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i92 s PHE 26 N -2.15 0.04 0.00 1.61 -0.71 -1.26 -1.28 117.98 114.23 1i92 s PHE 26 Ca 0.00 -0.40 -0.00 0.00 -1.04 0.00 0.00 56.93 55.48 1i92 s PHE 26 Cb 0.00 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 1i92 s PHE 26 CO 0.00 -0.70 0.10 -1.01 -1.34 0.00 0.00 175.22 172.27 1i92 s HIS 27 N -3.87 3.32 -0.10 3.49 3.76 -0.13 -5.00 115.29 116.77 1i92 s HIS 27 Ca 0.08 0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.23 1i92 s HIS 27 Cb 0.03 -1.74 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 1i92 s HIS 27 CO -0.08 0.56 -0.17 -1.17 -0.85 0.00 0.00 174.74 173.04 1i92 s LEU 28 N -1.84 2.51 -0.00 0.89 2.96 -1.26 -1.28 118.68 120.65 1i92 s LEU 28 Ca 0.24 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1i92 s LEU 28 Cb -0.12 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1i92 s LEU 28 CO 0.16 0.21 0.19 -1.38 -1.32 0.00 0.00 176.35 174.21 1i92 s HIS 29 N 0.08 -0.03 0.53 5.38 -3.43 -0.30 -4.94 115.29 112.58 1i92 s HIS 29 Ca -0.07 -0.00 0.03 0.00 -0.80 0.00 0.00 55.06 54.21 1i92 s HIS 29 Cb -0.15 -0.00 0.02 0.00 -1.43 0.00 0.00 32.58 31.01 1i92 s HIS 29 CO 0.05 -0.32 0.22 0.20 -2.00 0.00 0.00 174.74 172.89 1i92 s GLY 30 N -1.35 2.70 0.33 -1.38 0.00 -1.26 -0.37 107.32 105.99 1i92 s GLY 30 Ca -0.14 -0.78 0.09 0.00 0.00 0.00 0.00 44.72 43.88 1i92 s GLY 30 CO 0.02 -2.07 0.09 -0.54 0.00 0.00 0.00 173.10 170.61 1i92 s GLU 31 N -4.10 2.29 0.04 2.90 8.01 -1.26 -5.01 118.70 121.57 1i92 s GLU 31 Ca 0.20 -1.58 -0.30 0.00 0.01 0.00 0.00 54.97 53.30 1i92 s GLU 31 Cb -0.01 -2.11 -0.05 0.00 -4.31 0.00 0.00 34.13 27.65 1i92 s GLU 31 CO 0.12 0.15 1.11 0.15 0.01 0.00 0.00 175.26 176.81 1i92 s LYS 32 N -3.79 4.48 -1.28 1.61 -0.14 -1.26 -3.59 119.74 115.77 1i92 s LYS 32 Ca 0.36 1.63 -0.06 0.00 -1.36 0.00 0.00 55.97 56.55 1i92 s LYS 32 Cb -0.02 -3.39 0.01 0.00 -1.68 0.00 0.00 37.83 32.74 1i92 s LYS 32 CO 0.21 -0.18 1.10 0.41 -0.76 0.00 0.00 175.35 176.14 1i92 n GLY 33 N 3.10 -0.46 3.63 -3.33 0.00 -1.26 -4.99 105.19 101.88 1i92 n GLY 33 Ca 0.08 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1i92 n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i92 s LYS 34 N -5.97 0.85 0.40 1.61 0.00 -1.24 -5.16 119.74 110.23 1i92 s LYS 34 Ca 0.38 0.96 -0.11 0.00 0.00 0.00 0.00 55.97 57.20 1i92 s LYS 34 Cb -0.17 0.41 -0.07 0.00 0.00 0.00 0.00 37.83 38.01 1i92 s LYS 34 CO 0.72 -0.11 0.77 -0.51 0.00 0.00 0.00 175.35 176.22 1i92 s LEU 35 N 0.31 3.86 0.00 2.77 1.43 -1.26 -4.42 118.68 121.37 1i92 s LEU 35 Ca -0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1i92 s LEU 35 Cb -0.05 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.12 1i92 s LEU 35 CO 0.01 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.83 1i92 n GLY 36 N -1.16 3.70 3.37 -3.19 0.00 -1.26 -4.95 105.19 101.71 1i92 n GLY 36 Ca 0.03 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1i92 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i92 s GLN 37 N -5.13 2.83 0.13 1.61 -1.52 -1.26 -4.26 119.66 112.06 1i92 s GLN 37 Ca 0.00 -0.76 0.06 0.00 -1.95 0.00 0.00 55.36 52.71 1i92 s GLN 37 Cb 0.00 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 1i92 s GLN 37 CO 0.00 0.40 -0.15 0.71 -0.25 0.00 0.00 175.29 176.00 1i92 s TYR 38 N -0.16 1.49 0.12 0.91 1.51 0.50 -1.13 117.35 120.60 1i92 s TYR 38 Ca -0.02 -0.53 -0.17 0.00 -1.01 0.00 0.00 57.07 55.34 1i92 s TYR 38 Cb -0.14 -0.78 -0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1i92 s TYR 38 CO 0.03 0.18 0.58 0.42 -1.11 0.00 0.00 175.55 175.66 1i92 s ILE 39 N -2.01 4.76 0.11 2.71 -1.09 0.20 -1.15 121.20 124.72 1i92 s ILE 39 Ca 0.09 1.07 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 1i92 s ILE 39 Cb -0.06 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1i92 s ILE 39 CO 0.04 0.38 0.31 0.00 -1.23 0.00 0.00 174.94 174.43 1i92 s ARG 40 N -1.58 0.96 -1.07 2.79 1.70 -0.41 -0.26 118.95 121.09 1i92 s ARG 40 Ca 0.35 -0.81 -0.12 0.00 -0.47 0.00 0.00 55.73 54.67 1i92 s ARG 40 Cb -0.17 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1i92 s ARG 40 CO 0.19 -0.35 0.86 1.28 -1.08 0.00 0.00 175.30 176.20 1i92 n LEU 41 N -0.13 -4.48 -4.61 -1.89 4.77 -1.26 -0.95 117.00 108.44 1i92 n LEU 41 Ca -0.16 -0.82 -0.43 0.00 -0.03 0.00 0.00 56.01 54.57 1i92 n LEU 41 Cb 0.63 -2.86 -0.03 0.00 -2.33 0.00 0.00 43.42 38.84 1i92 n LEU 41 CO 0.19 0.22 0.92 -0.69 -1.33 0.00 0.00 177.39 176.70 1i92 s VAL 42 N -3.40 4.42 0.18 4.08 1.01 -1.26 -3.90 120.40 121.53 1i92 s VAL 42 Ca 0.45 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 1i92 s VAL 42 Cb -0.10 -4.46 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 1i92 s VAL 42 CO 0.79 -0.71 1.30 -1.61 0.00 0.00 0.00 175.10 174.87 1i92 s GLU 43 N 3.90 4.39 0.32 2.72 2.02 -0.40 -4.95 118.70 126.70 1i92 s GLU 43 Ca 0.44 2.02 -0.29 0.00 0.02 0.00 0.00 54.97 57.16 1i92 s GLU 43 Cb -0.10 -3.21 -0.12 0.00 0.10 0.00 0.00 34.13 30.80 1i92 s GLU 43 CO 0.23 -0.26 1.47 -2.30 0.02 0.00 0.00 175.26 174.42 1i92 n PRO 44 N 2.84 2.47 -0.97 0.39 -0.02 -1.26 -2.20 135.00 136.26 1i92 n PRO 44 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1i92 n PRO 44 Cb 0.43 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1i92 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i92 n GLY 45 N 1.30 0.47 3.92 -1.23 0.00 -1.26 -5.01 105.19 103.38 1i92 n GLY 45 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1i92 n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i92 s SER 46 N -2.18 5.71 0.37 1.61 1.04 -0.93 -4.90 113.70 114.42 1i92 s SER 46 Ca 0.00 0.65 0.10 0.00 0.48 0.00 0.00 55.95 57.18 1i92 s SER 46 Cb 0.00 -1.73 0.87 0.00 0.10 0.00 0.00 66.02 65.26 1i92 s SER 46 CO 0.00 -0.94 1.87 -0.65 0.98 0.00 0.00 173.24 174.50 1i92 h PRO 47 N -0.02 0.62 -0.40 4.02 0.11 -1.86 -0.95 132.00 133.53 1i92 h PRO 47 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1i92 h PRO 47 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1i92 h PRO 47 CO 0.60 0.41 0.16 0.00 -0.21 0.00 0.00 178.00 178.96 1i92 h ALA 48 N 1.61 0.52 -0.14 -0.75 0.00 -1.55 -1.77 119.26 117.18 1i92 h ALA 48 Ca 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1i92 h ALA 48 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1i92 h ALA 48 CO -0.20 0.13 0.04 1.49 0.00 0.00 0.00 179.25 180.72 1i92 h GLU 49 N 0.50 0.21 -0.02 0.00 4.81 -1.55 -2.44 114.58 116.09 1i92 h GLU 49 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1i92 h GLU 49 Cb 0.19 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1i92 h GLU 49 CO -0.01 0.34 0.02 0.87 -0.73 0.00 0.00 179.01 179.49 1i92 h LYS 50 N 0.04 0.00 0.00 1.92 1.57 -1.07 -1.47 116.57 117.56 1i92 h LYS 50 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1i92 h LYS 50 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1i92 h LYS 50 CO -0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 178.73 1i92 n ALA 51 N -2.44 2.53 -0.16 3.86 0.00 -0.68 -4.94 120.51 118.68 1i92 n ALA 51 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1i92 n ALA 51 Cb 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1i92 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i92 n GLY 52 N 1.40 0.91 3.77 0.00 0.00 -0.55 -4.64 105.19 106.07 1i92 n GLY 52 Ca 0.06 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1i92 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i92 s LEU 53 N 0.00 4.18 0.03 0.99 1.43 -0.93 -5.04 118.68 119.34 1i92 s LEU 53 Ca 0.00 2.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1i92 s LEU 53 Cb 0.00 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 1i92 s LEU 53 CO 0.00 -0.70 -0.14 -0.76 0.23 0.00 0.00 176.35 174.98 1i92 s LEU 54 N -2.53 2.15 0.37 1.79 1.43 -1.26 -4.69 118.68 115.94 1i92 s LEU 54 Ca 0.58 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 1i92 s LEU 54 Cb -0.31 -0.59 -0.11 0.00 0.03 0.00 0.00 46.19 45.21 1i92 s LEU 54 CO 0.39 0.04 1.38 0.00 0.23 0.00 0.00 176.35 178.39 1i92 n ALA 55 N 2.00 1.82 0.00 4.21 0.00 -1.26 -1.83 120.51 125.45 1i92 n ALA 55 Ca -0.18 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1i92 n ALA 55 Cb 0.55 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1i92 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i92 n GLY 56 N 0.62 3.23 3.64 0.00 0.00 0.64 -4.97 105.19 108.35 1i92 n GLY 56 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1i92 n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i92 n ASP 57 N 0.06 1.52 -4.63 1.61 8.00 -0.76 -4.54 116.55 117.81 1i92 n ASP 57 Ca 0.00 0.97 -0.35 0.00 0.71 0.00 0.00 54.79 56.13 1i92 n ASP 57 Cb 0.00 -1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 39.58 1i92 n ASP 57 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1i92 s ARG 58 N -2.37 3.64 -0.07 -1.24 3.52 -0.04 -0.63 118.95 121.77 1i92 s ARG 58 Ca 0.67 -0.39 -0.27 0.00 -0.13 0.00 0.00 55.73 55.62 1i92 s ARG 58 Cb -0.49 -3.04 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1i92 s ARG 58 CO 0.53 0.40 0.86 -1.17 -0.81 0.00 0.00 175.30 175.12 1i92 s LEU 59 N -0.01 4.30 -0.15 -0.88 2.96 -0.28 -1.51 118.68 123.09 1i92 s LEU 59 Ca 0.04 1.39 -0.02 0.00 -0.22 0.00 0.00 54.13 55.33 1i92 s LEU 59 Cb -0.12 -3.34 -0.09 0.00 0.50 0.00 0.00 46.19 43.13 1i92 s LEU 59 CO 0.01 -0.27 -0.16 0.52 -1.32 0.00 0.00 176.35 175.14 1i92 n VAL 60 N 4.12 0.87 -4.13 1.68 0.31 0.21 -4.61 118.33 116.78 1i92 n VAL 60 Ca 0.04 -0.29 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 1i92 n VAL 60 Cb 0.50 -1.26 -0.12 0.00 -0.91 0.00 0.00 33.84 32.05 1i92 n VAL 60 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1i92 s GLU 61 N -2.30 0.59 -0.14 5.55 2.02 -1.05 -1.16 118.70 122.21 1i92 s GLU 61 Ca -0.21 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.12 1i92 s GLU 61 Cb 0.06 -0.45 0.02 0.00 0.10 0.00 0.00 34.13 33.86 1i92 s GLU 61 CO 0.33 0.10 -0.16 0.08 0.02 0.00 0.00 175.26 175.62 1i92 s VAL 62 N -1.07 1.69 -1.44 2.63 1.01 -0.29 -1.47 120.40 121.46 1i92 s VAL 62 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1i92 s VAL 62 Cb -0.08 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1i92 s VAL 62 CO 0.01 0.48 0.29 0.59 0.00 0.00 0.00 175.10 176.47 1i92 n ASN 63 N 4.49 -0.15 -0.04 3.32 3.02 -0.33 -1.49 115.26 124.08 1i92 n ASN 63 Ca -0.19 -1.11 -0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1i92 n ASN 63 Cb 0.51 -2.52 -0.00 0.00 -0.61 0.00 0.00 39.78 37.16 1i92 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i92 n GLY 64 N -2.19 0.47 3.17 7.41 0.00 -1.26 -5.02 105.19 107.78 1i92 n GLY 64 Ca -0.31 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1i92 n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i92 s GLU 65 N -0.67 2.29 -0.09 1.61 0.41 -0.56 -5.09 118.70 116.60 1i92 s GLU 65 Ca 0.00 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 53.54 1i92 s GLU 65 Cb 0.00 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.44 1i92 s GLU 65 CO 0.00 0.23 1.30 1.21 -0.49 0.00 0.00 175.26 177.51 1i92 s ASN 66 N 0.15 6.94 -0.08 -0.19 3.84 -1.26 -1.14 114.94 123.21 1i92 s ASN 66 Ca -0.09 1.85 0.12 0.00 0.21 0.00 0.00 52.86 54.95 1i92 s ASN 66 Cb -0.14 -2.55 0.35 0.00 -0.55 0.00 0.00 41.25 38.35 1i92 s ASN 66 CO 0.05 -0.71 1.27 1.33 -2.79 0.00 0.00 177.10 176.25 1i92 n VAL 67 N 5.00 1.56 0.25 -5.21 0.24 -0.31 -4.74 118.33 115.13 1i92 n VAL 67 Ca 0.13 -1.45 0.09 0.00 -2.04 0.00 0.00 64.34 61.06 1i92 n VAL 67 Cb 0.45 0.15 0.65 0.00 -1.47 0.00 0.00 33.84 33.61 1i92 n VAL 67 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1i92 h GLU 68 N 1.46 0.00 -0.37 7.34 5.08 -1.82 -1.31 114.58 124.96 1i92 h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i92 h GLU 68 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1i92 h GLU 68 CO 0.08 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 1i92 n LYS 69 N -4.30 3.10 -3.38 2.33 4.76 -1.26 -4.05 118.16 115.35 1i92 n LYS 69 Ca -0.03 -2.56 -0.24 0.00 -2.87 0.00 0.00 58.31 52.61 1i92 n LYS 69 Cb 0.15 -1.64 -0.01 0.00 -1.84 0.00 0.00 35.03 31.68 1i92 n LYS 69 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1i92 s GLU 70 N -1.96 3.50 0.76 1.97 2.02 -0.50 -5.05 118.70 119.44 1i92 s GLU 70 Ca 0.37 -0.31 -0.12 0.00 0.02 0.00 0.00 54.97 54.93 1i92 s GLU 70 Cb 0.26 -2.67 0.05 0.00 0.10 0.00 0.00 34.13 31.87 1i92 s GLU 70 CO 0.14 0.16 1.10 0.95 0.02 0.00 0.00 175.26 177.64 1i92 s THR 71 N -2.29 3.16 0.19 3.63 -4.23 -1.26 -4.68 115.64 110.16 1i92 s THR 71 Ca 0.40 0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 61.16 1i92 s THR 71 Cb -0.10 -3.26 0.15 0.00 1.34 0.00 0.00 72.50 70.64 1i92 s THR 71 CO 0.35 -0.49 1.68 -0.74 -0.54 0.00 0.00 174.62 174.88 1i92 h HIS 72 N -0.90 -0.03 -0.79 3.99 -0.00 -1.98 -0.88 115.15 114.56 1i92 h HIS 72 Ca -0.46 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1i92 h HIS 72 Cb 1.27 0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.74 1i92 h HIS 72 CO 0.47 -0.13 0.48 1.96 -0.00 0.00 0.00 177.93 180.71 1i92 h GLN 73 N 0.12 1.08 -0.42 5.26 7.50 -1.99 -0.76 115.11 125.89 1i92 h GLN 73 Ca 0.27 -0.10 -0.05 0.00 0.50 0.00 0.00 58.65 59.27 1i92 h GLN 73 Cb 0.41 -0.23 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 1i92 h GLN 73 CO -0.45 0.76 0.06 1.96 -1.50 0.00 0.00 178.83 179.67 1i92 h GLN 74 N 1.09 0.70 -0.31 1.46 4.20 -1.77 -1.36 115.11 119.12 1i92 h GLN 74 Ca 0.28 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1i92 h GLN 74 Cb -0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1i92 h GLN 74 CO -0.05 0.74 -0.10 0.28 -0.67 0.00 0.00 178.83 179.02 1i92 h VAL 75 N 0.55 1.29 -0.63 -0.54 2.07 -0.94 -1.38 116.25 116.67 1i92 h VAL 75 Ca 0.13 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1i92 h VAL 75 Cb 0.38 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1i92 h VAL 75 CO 0.01 0.38 0.36 0.58 0.02 0.00 0.00 177.57 178.91 1i92 h VAL 76 N 0.39 1.00 -0.82 2.57 2.07 -1.09 -1.76 116.25 118.60 1i92 h VAL 76 Ca 0.08 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1i92 h VAL 76 Cb 0.61 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1i92 h VAL 76 CO 0.04 0.12 0.51 0.28 0.02 0.00 0.00 177.57 178.54 1i92 h SER 77 N 0.68 0.81 -0.45 0.57 0.02 -0.97 -0.77 113.55 113.44 1i92 h SER 77 Ca 0.27 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1i92 h SER 77 Cb 0.13 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1i92 h SER 77 CO -0.16 0.53 0.00 0.03 -1.14 0.00 0.00 176.83 176.09 1i92 h ARG 78 N 0.94 0.85 -0.24 3.45 3.08 -0.82 0.50 114.38 122.14 1i92 h ARG 78 Ca 0.35 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1i92 h ARG 78 Cb 0.14 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1i92 h ARG 78 CO -0.16 0.85 -0.33 0.82 -1.07 0.00 0.00 179.97 180.08 1i92 h ILE 79 N 0.80 1.31 0.00 2.04 2.04 -0.91 -3.09 117.51 119.69 1i92 h ILE 79 Ca 0.15 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 1i92 h ILE 79 Cb 0.47 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1i92 h ILE 79 CO 0.02 0.48 -0.20 0.03 0.00 0.00 0.00 178.15 178.48 1i92 h ARG 80 N 0.37 0.00 -4.81 2.37 3.08 -1.06 -3.46 114.38 110.87 1i92 h ARG 80 Ca 0.03 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.63 1i92 h ARG 80 Cb 0.92 0.00 0.19 0.00 0.08 0.00 0.00 29.97 31.15 1i92 h ARG 80 CO 0.08 0.20 -1.43 0.00 -1.07 0.00 0.00 179.97 177.74 1i92 n ALA 81 N -2.22 -4.68 0.00 0.04 0.00 0.16 -3.48 120.51 110.32 1i92 n ALA 81 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1i92 n ALA 81 Cb 0.40 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1i92 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i92 n ALA 82 N -1.91 0.58 -2.11 0.00 0.00 -1.26 -4.67 120.51 111.13 1i92 n ALA 82 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 1i92 n ALA 82 Cb 0.44 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 1i92 n ALA 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1i92 s LEU 83 N 0.00 2.49 0.00 0.00 -0.00 -1.23 -5.09 118.68 114.85 1i92 s LEU 83 Ca 0.00 -0.99 0.21 0.00 -0.00 0.00 0.00 54.13 53.35 1i92 s LEU 83 Cb 0.00 0.18 0.58 0.00 -0.00 0.00 0.00 46.19 46.94 1i92 s LEU 83 CO 0.00 -0.58 1.48 0.59 -0.00 0.00 0.00 176.35 177.84 1i92 n ASN 84 N 0.13 3.53 -4.05 1.48 3.02 -1.26 -4.91 115.26 113.20 1i92 n ASN 84 Ca -0.14 -1.99 -0.07 0.00 -0.03 0.00 0.00 54.58 52.34 1i92 n ASN 84 Cb 0.61 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 1i92 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i92 s ALA 85 N -1.16 0.37 -0.12 5.41 0.00 -1.26 -1.66 121.76 123.34 1i92 s ALA 85 Ca 0.44 -1.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 1i92 s ALA 85 Cb 0.23 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.69 1i92 s ALA 85 CO 0.31 -0.38 0.45 0.54 0.00 0.00 0.00 175.76 176.67 1i92 s VAL 86 N -3.78 0.02 -0.24 0.00 0.11 0.18 -4.99 120.40 111.70 1i92 s VAL 86 Ca 0.05 -0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1i92 s VAL 86 Cb 0.07 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1i92 s VAL 86 CO -0.10 -0.07 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.40 1i92 s ARG 87 N -0.35 2.92 -0.17 1.54 0.52 -1.26 -0.29 118.95 121.86 1i92 s ARG 87 Ca -0.05 -0.92 -0.03 0.00 -0.52 0.00 0.00 55.73 54.22 1i92 s ARG 87 Cb -0.03 -2.94 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 1i92 s ARG 87 CO 0.03 -0.35 -0.07 -0.51 0.02 0.00 0.00 175.30 174.41 1i92 s LEU 88 N 1.34 2.96 -0.25 2.53 1.43 0.93 -1.19 118.68 126.42 1i92 s LEU 88 Ca 0.01 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 1i92 s LEU 88 Cb -0.16 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1i92 s LEU 88 CO -0.05 0.10 0.27 -0.22 0.23 0.00 0.00 176.35 176.68 1i92 s LEU 89 N 0.75 4.08 0.11 1.79 2.96 -0.54 -0.50 118.68 127.32 1i92 s LEU 89 Ca -0.03 0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1i92 s LEU 89 Cb -0.15 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1i92 s LEU 89 CO 0.02 -0.06 -0.14 0.68 -1.32 0.00 0.00 176.35 175.53 1i92 s VAL 90 N 1.55 1.33 0.17 1.68 -7.23 -0.52 -0.61 120.40 116.76 1i92 s VAL 90 Ca 0.11 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1i92 s VAL 90 Cb -0.15 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 1i92 s VAL 90 CO 0.08 -0.37 -0.10 0.68 -0.31 0.00 0.00 175.10 175.09 1i92 s VAL 91 N -1.95 1.24 -0.41 1.32 -7.23 -0.57 -3.33 120.40 109.47 1i92 s VAL 91 Ca 0.07 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 57.92 1i92 s VAL 91 Cb -0.06 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.96 1i92 s VAL 91 CO 0.03 -0.67 0.85 -0.62 -0.31 0.00 0.00 175.10 174.38 1i92 s ASP 92 N -3.21 6.52 0.51 4.85 -1.08 -1.26 -0.86 116.67 122.14 1i92 s ASP 92 Ca 0.19 0.21 0.22 0.00 -0.52 0.00 0.00 52.55 52.65 1i92 s ASP 92 Cb 0.02 -2.42 1.34 0.00 -1.46 0.00 0.00 42.92 40.40 1i92 s ASP 92 CO 0.03 -0.89 2.08 1.55 0.52 0.00 0.00 175.17 178.46 1i92 h PRO 93 N 8.77 0.00 0.00 4.34 0.13 -1.80 -0.74 132.00 142.71 1i92 h PRO 93 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1i92 h PRO 93 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1i92 h PRO 93 CO 0.97 0.11 0.00 0.93 -0.23 0.00 0.00 178.00 179.78 1i92 h GLU 94 N 0.00 0.00 0.00 0.86 3.07 -1.94 -3.26 114.58 113.32 1i92 h GLU 94 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1i92 h GLU 94 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1i92 h GLU 94 CO 0.01 0.00 -0.58 1.04 -1.40 0.00 0.00 179.01 178.08 1i92 n GLN 95 N -3.03 3.58 -4.29 2.33 1.13 -0.43 -5.02 117.38 111.66 1i92 n GLN 95 Ca -0.00 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 1i92 n GLN 95 Cb 0.25 -0.90 -0.16 0.00 0.11 0.00 0.00 30.24 29.54 1i92 n GLN 95 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1i92 s ASP 96 N -1.92 1.06 -0.02 1.08 -1.08 -0.42 -5.02 116.67 110.35 1i92 s ASP 96 Ca 0.01 -0.16 0.02 0.00 -0.52 0.00 0.00 52.55 51.90 1i92 s ASP 96 Cb 0.05 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 41.13 1i92 s ASP 96 CO 0.26 0.02 -0.06 -0.89 0.52 0.00 0.00 175.17 175.01 1i92 s THR 97 N 0.47 0.57 -0.01 1.71 2.01 -1.26 -4.50 115.64 114.62 1i92 s THR 97 Ca -0.07 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 1i92 s THR 97 Cb -0.11 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 1i92 s THR 97 CO 0.01 0.18 0.70 -0.60 -0.69 0.00 0.00 174.62 174.22 1i92 s ARG 98 N 0.19 4.43 0.00 4.92 3.52 -1.26 -5.23 118.95 125.51 1i92 s ARG 98 Ca -0.02 0.92 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 1i92 s ARG 98 Cb -0.07 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1i92 s ARG 98 CO -0.00 0.23 0.42 1.28 -0.81 0.00 0.00 175.30 176.42