#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n49 s GLN 2 N 0.00 3.23 -0.24 0.54 -1.52 -1.26 -5.09 119.66 115.32 1n49 s GLN 2 Ca 0.00 -0.74 -0.09 0.00 -1.95 0.00 0.00 55.36 52.59 1n49 s GLN 2 Cb 0.00 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 29.60 1n49 s GLN 2 CO 0.00 -0.30 0.11 0.96 -0.25 0.00 0.00 175.29 175.80 1n49 s ILE 3 N 1.48 4.78 0.68 1.08 -5.25 -1.26 -5.08 121.20 117.62 1n49 s ILE 3 Ca 0.04 -0.02 -0.11 0.00 -0.99 0.00 0.00 60.65 59.57 1n49 s ILE 3 Cb -0.16 -3.23 -0.00 0.00 2.95 0.00 0.00 42.46 42.02 1n49 s ILE 3 CO -0.01 0.34 1.07 0.42 -1.79 0.00 0.00 174.94 174.97 1n49 s THR 4 N 1.31 4.00 -1.05 8.37 -4.23 -1.26 -4.99 115.64 117.79 1n49 s THR 4 Ca 0.06 0.65 0.11 0.00 -1.18 0.00 0.00 61.69 61.33 1n49 s THR 4 Cb -0.15 -3.60 0.25 0.00 1.34 0.00 0.00 72.50 70.34 1n49 s THR 4 CO 0.05 -0.85 1.15 0.18 -0.54 0.00 0.00 174.62 174.61 1n49 n LEU 5 N -2.95 2.66 0.32 4.79 4.77 -1.26 -4.53 117.00 120.79 1n49 n LEU 5 Ca 0.07 -1.73 0.20 0.00 -0.03 0.00 0.00 56.01 54.52 1n49 n LEU 5 Cb 0.55 -0.17 1.06 0.00 -2.33 0.00 0.00 43.42 42.54 1n49 n LEU 5 CO 0.57 0.63 1.13 -0.50 -1.33 0.00 0.00 177.39 177.90 1n49 h TRP 6 N 2.07 0.00 -3.87 -1.77 4.06 -2.05 -3.43 115.95 110.96 1n49 h TRP 6 Ca 0.00 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.71 1n49 h TRP 6 Cb 0.66 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.67 1n49 h TRP 6 CO 0.17 0.01 -0.68 0.21 -3.56 0.00 0.00 178.44 174.59 1n49 s LYS 7 N -4.12 0.95 0.12 0.49 2.47 -1.26 -5.11 119.74 113.28 1n49 s LYS 7 Ca -0.04 -1.43 -0.35 0.00 -1.56 0.00 0.00 55.97 52.60 1n49 s LYS 7 Cb 0.13 -0.18 -0.17 0.00 -1.46 0.00 0.00 37.83 36.15 1n49 s LYS 7 CO 0.46 -0.09 1.13 0.54 0.16 0.00 0.00 175.35 177.55 1n49 n ARG 8 N -0.13 0.82 -2.02 4.03 1.74 -1.26 -4.80 116.66 115.04 1n49 n ARG 8 Ca -0.09 0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.87 1n49 n ARG 8 Cb 0.62 -1.78 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1n49 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n49 n PRO 9 N 1.82 3.69 -3.12 5.56 -0.04 -1.26 -4.96 135.00 136.69 1n49 n PRO 9 Ca 0.17 -3.17 -0.38 0.00 -0.04 0.00 0.00 63.50 60.08 1n49 n PRO 9 Cb 0.20 -2.92 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 1n49 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n49 s LEU 10 N -0.06 4.47 0.02 1.53 1.43 -1.26 -1.19 118.68 123.61 1n49 s LEU 10 Ca 0.48 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.93 1n49 s LEU 10 Cb 0.13 -3.31 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1n49 s LEU 10 CO -0.04 0.15 0.14 0.68 0.23 0.00 0.00 176.35 177.51 1n49 s VAL 11 N -1.30 0.10 0.08 -1.59 -7.23 -0.15 -4.96 120.40 105.35 1n49 s VAL 11 Ca 0.37 -0.83 -0.30 0.00 -1.81 0.00 0.00 61.98 59.41 1n49 s VAL 11 Cb -0.19 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 1n49 s VAL 11 CO 0.22 -0.46 1.00 -0.89 -0.31 0.00 0.00 175.10 174.66 1n49 s THR 12 N -1.94 4.53 -0.02 5.32 2.01 -1.26 -1.50 115.64 122.78 1n49 s THR 12 Ca -0.10 1.98 0.06 0.00 0.31 0.00 0.00 61.69 63.94 1n49 s THR 12 Cb -0.05 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1n49 s THR 12 CO -0.01 0.25 -0.21 0.27 -0.69 0.00 0.00 174.62 174.22 1n49 s ILE 13 N 0.40 1.67 -0.23 1.82 -4.36 0.16 -3.49 121.20 117.17 1n49 s ILE 13 Ca 0.50 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.95 1n49 s ILE 13 Cb -0.24 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.08 1n49 s ILE 13 CO 0.30 0.47 -0.03 -0.13 0.24 0.00 0.00 174.94 175.79 1n49 s ARG 14 N -0.45 3.31 -0.02 0.37 3.00 0.52 -0.48 118.95 125.20 1n49 s ARG 14 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 55.73 55.15 1n49 s ARG 14 Cb -0.09 -3.06 -0.00 0.00 0.00 0.00 0.00 34.95 31.80 1n49 s ARG 14 CO -0.00 -0.24 -0.10 -1.50 0.00 0.00 0.00 175.30 173.45 1n49 s ILE 15 N 1.47 0.84 0.00 1.52 -1.16 0.15 0.08 121.20 124.10 1n49 s ILE 15 Ca 0.05 -0.41 0.00 0.00 -0.51 0.00 0.00 60.65 59.78 1n49 s ILE 15 Cb -0.15 -0.73 0.00 0.00 0.61 0.00 0.00 42.46 42.19 1n49 s ILE 15 CO -0.02 0.25 0.00 0.61 -2.81 0.00 0.00 174.94 172.97 1n49 n GLY 16 N 3.12 0.73 0.00 1.50 0.00 -1.26 0.64 105.19 109.92 1n49 n GLY 16 Ca -0.17 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1n49 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n49 n GLY 17 N 0.00 0.67 3.61 -0.02 0.00 -1.26 -5.11 105.19 103.07 1n49 n GLY 17 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1n49 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n49 s GLN 18 N 0.00 3.11 -0.30 1.61 0.00 0.21 -5.09 119.66 119.19 1n49 s GLN 18 Ca 0.00 -0.47 -0.05 0.00 -0.00 0.00 0.00 55.36 54.84 1n49 s GLN 18 Cb 0.00 -2.78 0.03 0.00 0.00 0.00 0.00 33.01 30.26 1n49 s GLN 18 CO 0.00 0.57 0.04 -0.51 0.00 0.00 0.00 175.29 175.40 1n49 s LEU 19 N -0.54 3.82 0.29 2.60 1.02 -1.26 0.34 118.68 124.96 1n49 s LEU 19 Ca 0.09 -0.93 0.02 0.00 0.02 0.00 0.00 54.13 53.33 1n49 s LEU 19 Cb -0.12 -1.81 -0.05 0.00 0.02 0.00 0.00 46.19 44.23 1n49 s LEU 19 CO 0.02 -0.22 0.10 -0.75 0.02 0.00 0.00 176.35 175.52 1n49 s LYS 20 N 1.40 1.51 -0.03 1.70 2.47 0.37 -4.91 119.74 122.26 1n49 s LYS 20 Ca -0.00 -1.84 -0.16 0.00 -1.56 0.00 0.00 55.97 52.42 1n49 s LYS 20 Cb -0.18 -0.41 -0.05 0.00 -1.46 0.00 0.00 37.83 35.73 1n49 s LYS 20 CO 0.01 -0.30 0.43 -1.21 0.16 0.00 0.00 175.35 174.44 1n49 s GLU 21 N -3.96 4.05 0.04 4.03 2.02 -1.26 0.35 118.70 123.97 1n49 s GLU 21 Ca 0.37 0.42 -0.03 0.00 0.02 0.00 0.00 54.97 55.75 1n49 s GLU 21 Cb 0.07 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 1n49 s GLU 21 CO 0.15 0.55 0.02 0.00 0.02 0.00 0.00 175.26 175.99 1n49 s ALA 22 N -0.62 0.22 -0.14 5.21 0.00 -0.56 -4.63 121.76 121.24 1n49 s ALA 22 Ca 0.24 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 1n49 s ALA 22 Cb -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1n49 s ALA 22 CO 0.13 -0.33 0.36 -1.17 0.00 0.00 0.00 175.76 174.74 1n49 s LEU 23 N -2.45 4.26 -0.63 0.00 2.96 -0.53 -0.98 118.68 121.31 1n49 s LEU 23 Ca -0.00 0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 54.26 1n49 s LEU 23 Cb 0.02 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1n49 s LEU 23 CO -0.07 0.07 1.31 -0.76 -1.32 0.00 0.00 176.35 175.57 1n49 s LEU 24 N 0.49 3.33 -0.39 -0.68 1.43 -0.34 -1.00 118.68 121.53 1n49 s LEU 24 Ca 0.20 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1n49 s LEU 24 Cb -0.14 -2.90 0.10 0.00 0.03 0.00 0.00 46.19 43.28 1n49 s LEU 24 CO 0.06 -1.70 0.16 0.21 0.23 0.00 0.00 176.35 175.31 1n49 s ASN 25 N 3.80 5.15 0.00 2.29 3.04 -0.33 -4.82 114.94 124.07 1n49 s ASN 25 Ca 0.44 -1.94 0.26 0.00 0.04 0.00 0.00 52.86 51.65 1n49 s ASN 25 Cb -0.09 -1.79 1.29 0.00 -1.54 0.00 0.00 41.25 39.12 1n49 s ASN 25 CO 0.22 -0.48 1.86 0.35 -3.04 0.00 0.00 177.10 176.00 1n49 n THR 26 N 4.55 0.18 -0.20 -5.21 -2.24 -1.26 -2.74 114.28 107.36 1n49 n THR 26 Ca -0.03 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1n49 n THR 26 Cb 0.42 -0.62 0.30 0.00 -2.10 0.00 0.00 70.33 68.32 1n49 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n49 n GLY 27 N 0.89 2.22 3.12 3.38 0.00 -1.26 -4.84 105.19 108.70 1n49 n GLY 27 Ca 0.12 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1n49 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n49 s ALA 28 N -1.67 1.78 0.19 4.61 0.00 -1.11 -5.01 121.76 120.56 1n49 s ALA 28 Ca 0.43 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1n49 s ALA 28 Cb 0.27 -0.75 0.11 0.00 0.00 0.00 0.00 23.12 22.75 1n49 s ALA 28 CO 0.22 0.12 1.52 -0.44 0.00 0.00 0.00 175.76 177.19 1n49 h ASP 29 N 7.01 0.68 -2.03 0.00 5.19 -1.88 0.12 116.42 125.50 1n49 h ASP 29 Ca -0.27 -0.34 -0.60 0.00 -0.62 0.00 0.00 57.03 55.21 1n49 h ASP 29 Cb 1.20 -0.19 -0.13 0.00 0.18 0.00 0.00 39.33 40.39 1n49 h ASP 29 CO 0.48 1.05 -0.62 -1.81 -3.12 0.00 0.00 179.24 175.22 1n49 s ASP 30 N -6.89 3.55 -0.22 6.45 1.01 -1.26 -3.00 116.67 116.30 1n49 s ASP 30 Ca -0.08 -1.33 -0.13 0.00 0.71 0.00 0.00 52.55 51.72 1n49 s ASP 30 Cb 0.11 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.67 1n49 s ASP 30 CO 0.84 -0.42 0.25 -0.89 0.21 0.00 0.00 175.17 175.16 1n49 s THR 31 N -2.80 5.30 -0.07 -1.27 2.01 -1.26 -2.78 115.64 114.77 1n49 s THR 31 Ca 0.34 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1n49 s THR 31 Cb 0.08 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1n49 s THR 31 CO 0.17 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.57 1n49 s VAL 32 N 1.12 1.34 0.22 3.82 1.01 0.96 -1.84 120.40 127.02 1n49 s VAL 32 Ca 0.12 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1n49 s VAL 32 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1n49 s VAL 32 CO 0.06 0.40 -0.22 -0.76 0.00 0.00 0.00 175.10 174.57 1n49 s LEU 33 N 0.55 2.48 0.44 3.92 1.02 -0.41 0.19 118.68 126.87 1n49 s LEU 33 Ca -0.15 -0.91 -0.23 0.00 0.02 0.00 0.00 54.13 52.85 1n49 s LEU 33 Cb -0.16 -1.12 -0.08 0.00 0.02 0.00 0.00 46.19 44.85 1n49 s LEU 33 CO 0.05 0.08 1.16 -1.61 0.02 0.00 0.00 176.35 176.05 1n49 s GLU 34 N -2.93 3.86 -0.11 1.70 2.02 -1.26 -1.87 118.70 120.11 1n49 s GLU 34 Ca 0.23 1.77 -0.16 0.00 0.02 0.00 0.00 54.97 56.83 1n49 s GLU 34 Cb -0.07 -2.48 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 1n49 s GLU 34 CO 0.11 -0.47 0.51 0.39 0.02 0.00 0.00 175.26 175.82 1n49 n GLU 35 N -0.33 0.00 -3.56 1.61 -0.58 -0.66 -4.64 120.64 112.48 1n49 n GLU 35 Ca 0.06 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 1n49 n GLU 35 Cb 0.48 -0.55 -0.02 0.00 -0.57 0.00 0.00 31.44 30.78 1n49 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n49 s MET 36 N 0.66 1.26 -0.12 3.49 0.23 -1.26 -5.00 119.30 118.57 1n49 s MET 36 Ca 0.36 -0.55 -0.12 0.00 -1.03 0.00 0.00 55.69 54.35 1n49 s MET 36 Cb -0.51 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 33.26 1n49 s MET 36 CO 0.26 -0.56 0.25 -0.80 -2.03 0.00 0.00 175.02 172.15 1n49 s ASN 37 N -2.74 6.48 -0.00 -1.18 -0.87 -1.26 -4.99 114.94 110.38 1n49 s ASN 37 Ca 0.05 0.57 0.01 0.00 -1.57 0.00 0.00 52.86 51.92 1n49 s ASN 37 Cb -0.02 -2.15 -0.00 0.00 -0.02 0.00 0.00 41.25 39.05 1n49 s ASN 37 CO -0.06 0.25 -0.02 -0.76 -2.57 0.00 0.00 177.10 173.94 1n49 s LEU 38 N -0.34 2.01 0.67 0.60 1.43 -1.26 -5.10 118.68 116.69 1n49 s LEU 38 Ca 0.17 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1n49 s LEU 38 Cb -0.13 -0.09 -0.00 0.00 0.03 0.00 0.00 46.19 46.00 1n49 s LEU 38 CO 0.05 0.01 1.06 -2.16 0.23 0.00 0.00 176.35 175.54 1n49 s PRO 39 N -0.10 3.03 0.00 1.29 0.04 -1.26 -4.93 135.00 133.07 1n49 s PRO 39 Ca 0.00 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1n49 s PRO 39 Cb -0.01 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1n49 s PRO 39 CO -0.00 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1n49 n GLY 40 N -1.78 0.89 3.98 0.56 0.00 -1.26 -5.05 105.19 102.53 1n49 n GLY 40 Ca 0.08 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.67 1n49 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n49 s LYS 41 N -1.24 1.22 -0.29 1.61 3.01 -1.26 -5.12 119.74 117.66 1n49 s LYS 41 Ca 0.00 -0.95 -0.22 0.00 -1.01 0.00 0.00 55.97 53.79 1n49 s LYS 41 Cb 0.00 -2.16 0.18 0.00 -1.01 0.00 0.00 37.83 34.84 1n49 s LYS 41 CO 0.00 -1.85 1.26 1.67 0.51 0.00 0.00 175.35 176.94 1n49 s TRP 42 N -3.42 -0.21 -0.14 3.18 1.48 -1.26 -4.62 118.94 113.94 1n49 s TRP 42 Ca 0.70 0.46 -0.08 0.00 -1.06 0.00 0.00 56.10 56.12 1n49 s TRP 42 Cb -0.04 0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 32.56 1n49 s TRP 42 CO 0.48 -0.10 0.15 0.15 -4.06 0.00 0.00 176.95 173.56 1n49 s LYS 43 N 0.49 3.70 0.85 3.25 -0.14 -1.03 -4.81 119.74 122.05 1n49 s LYS 43 Ca 0.01 -0.14 -0.11 0.00 -1.36 0.00 0.00 55.97 54.37 1n49 s LYS 43 Cb -0.04 -3.27 0.11 0.00 -1.68 0.00 0.00 37.83 32.95 1n49 s LYS 43 CO -0.12 0.62 1.16 -2.14 -0.76 0.00 0.00 175.35 174.10 1n49 s PRO 44 N -0.57 1.44 0.12 -1.68 0.02 -1.26 -1.79 135.00 131.28 1n49 s PRO 44 Ca 0.13 1.56 -0.25 0.00 0.02 0.00 0.00 61.00 62.47 1n49 s PRO 44 Cb -0.12 -1.77 0.07 0.00 0.02 0.00 0.00 34.50 32.70 1n49 s PRO 44 CO 0.02 -2.32 0.62 0.21 -0.33 0.00 0.00 177.00 175.20 1n49 s LYS 45 N -4.49 1.23 -0.19 5.54 2.20 -0.24 -4.80 119.74 118.98 1n49 s LYS 45 Ca 0.68 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 1n49 s LYS 45 Cb -0.24 0.57 0.04 0.00 -1.51 0.00 0.00 37.83 36.69 1n49 s LYS 45 CO 0.55 -0.51 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.25 1n49 s MET 46 N -3.28 2.28 0.06 4.03 -1.94 -1.26 -0.97 119.30 118.21 1n49 s MET 46 Ca -0.01 -0.85 0.05 0.00 -1.71 0.00 0.00 55.69 53.17 1n49 s MET 46 Cb -0.01 -2.45 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 1n49 s MET 46 CO -0.09 -0.37 -0.04 0.96 -0.01 0.00 0.00 175.02 175.47 1n49 s ILE 47 N 1.36 3.78 0.29 2.53 -4.36 -0.94 -4.90 121.20 118.95 1n49 s ILE 47 Ca 0.00 -0.96 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 1n49 s ILE 47 Cb -0.15 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 1n49 s ILE 47 CO -0.09 0.21 0.16 -0.83 0.24 0.00 0.00 174.94 174.64 1n49 s GLY 48 N -1.98 1.96 0.00 6.27 0.00 -1.26 -0.50 107.32 111.81 1n49 s GLY 48 Ca 0.22 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1n49 s GLY 48 CO 0.14 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1n49 n GLY 49 N -0.52 1.27 3.71 0.20 0.00 0.13 -4.94 105.19 105.04 1n49 n GLY 49 Ca 0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1n49 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n49 s ILE 50 N -0.65 2.65 0.00 -0.61 1.01 -1.26 -1.74 121.20 120.60 1n49 s ILE 50 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1n49 s ILE 50 Cb 0.00 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.22 1n49 s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1n49 n GLY 51 N 3.85 2.24 0.00 6.18 0.00 -1.26 -4.94 105.19 111.26 1n49 n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1n49 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n49 n GLY 52 N -2.00 0.50 3.59 -0.02 0.00 -0.71 -5.08 105.19 101.46 1n49 n GLY 52 Ca 0.00 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 1n49 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n49 s PHE 53 N -0.96 2.47 0.09 1.61 0.40 -1.26 0.20 117.98 120.53 1n49 s PHE 53 Ca 0.00 -0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1n49 s PHE 53 Cb 0.00 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1n49 s PHE 53 CO 0.00 0.51 -0.01 0.96 0.70 0.00 0.00 175.22 177.38 1n49 s ILE 54 N -2.66 0.33 -0.17 0.64 -4.36 0.35 -4.95 121.20 110.38 1n49 s ILE 54 Ca 0.34 -1.88 -0.21 0.00 -0.26 0.00 0.00 60.65 58.64 1n49 s ILE 54 Cb 0.06 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.98 1n49 s ILE 54 CO 0.17 -0.77 0.62 -0.54 0.24 0.00 0.00 174.94 174.66 1n49 s LYS 55 N -3.94 4.26 0.04 0.37 3.01 -1.26 -2.22 119.74 120.00 1n49 s LYS 55 Ca 0.14 0.62 -0.00 0.00 -1.01 0.00 0.00 55.97 55.73 1n49 s LYS 55 Cb 0.07 -3.54 -0.03 0.00 -1.01 0.00 0.00 37.83 33.32 1n49 s LYS 55 CO -0.04 -0.15 -0.04 0.14 0.51 0.00 0.00 175.35 175.78 1n49 s VAL 56 N 1.59 0.25 -0.17 3.17 -7.23 -0.14 -4.19 120.40 113.68 1n49 s VAL 56 Ca 0.29 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 58.84 1n49 s VAL 56 Cb -0.16 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 1n49 s VAL 56 CO 0.11 -0.78 0.35 -0.13 -0.31 0.00 0.00 175.10 174.34 1n49 s ARG 57 N -2.94 4.23 -0.30 4.82 0.52 0.61 -1.08 118.95 124.80 1n49 s ARG 57 Ca -0.01 0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 55.24 1n49 s ARG 57 Cb 0.01 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.96 1n49 s ARG 57 CO -0.06 0.11 0.23 -1.14 0.02 0.00 0.00 175.30 174.46 1n49 s GLN 58 N 0.85 3.80 -0.02 3.54 0.74 -0.74 -0.81 119.66 127.03 1n49 s GLN 58 Ca 0.18 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1n49 s GLN 58 Cb -0.14 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.23 1n49 s GLN 58 CO 0.06 -0.29 -0.10 0.71 -0.55 0.00 0.00 175.29 175.13 1n49 s TYR 59 N 1.80 2.81 0.33 1.67 1.51 -0.81 -2.48 117.35 122.18 1n49 s TYR 59 Ca 0.08 -0.08 0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1n49 s TYR 59 Cb -0.16 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1n49 s TYR 59 CO 0.11 0.31 0.05 -0.51 -1.11 0.00 0.00 175.55 174.40 1n49 s ASP 60 N -1.15 4.39 -1.49 2.29 1.11 -1.26 -0.26 116.67 120.30 1n49 s ASP 60 Ca 0.15 -0.87 -0.00 0.00 0.18 0.00 0.00 52.55 52.00 1n49 s ASP 60 Cb -0.11 -0.64 0.00 0.00 1.07 0.00 0.00 42.92 43.24 1n49 s ASP 60 CO 0.04 -0.23 0.17 0.00 1.18 0.00 0.00 175.17 176.34 1n49 n GLN 61 N -1.01 -1.88 -3.46 8.23 6.02 -0.87 -4.85 117.38 119.56 1n49 n GLN 61 Ca -0.04 0.22 -0.37 0.00 -0.01 0.00 0.00 57.00 56.79 1n49 n GLN 61 Cb 0.61 -3.95 -0.07 0.00 1.02 0.00 0.00 30.24 27.85 1n49 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1n49 s ILE 62 N -4.21 5.25 0.24 5.09 -1.09 0.15 -4.66 121.20 121.97 1n49 s ILE 62 Ca 0.00 0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 58.77 1n49 s ILE 62 Cb -0.00 -3.69 -0.09 0.00 -1.58 0.00 0.00 42.46 37.10 1n49 s ILE 62 CO 0.95 0.33 1.36 -2.84 -1.23 0.00 0.00 174.94 173.51 1n49 s PRO 63 N 0.82 4.34 -0.04 2.79 0.02 -1.26 -1.62 135.00 140.05 1n49 s PRO 63 Ca 0.18 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1n49 s PRO 63 Cb -0.14 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.27 1n49 s PRO 63 CO 0.06 -0.30 0.07 0.08 -0.33 0.00 0.00 177.00 176.58 1n49 s VAL 64 N -0.13 -0.07 -0.45 3.83 1.01 0.12 -4.11 120.40 120.60 1n49 s VAL 64 Ca 0.56 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1n49 s VAL 64 Cb -0.39 -0.14 0.08 0.00 0.00 0.00 0.00 36.38 35.93 1n49 s VAL 64 CO 0.42 0.10 0.33 -1.83 0.00 0.00 0.00 175.10 174.12 1n49 s GLU 65 N 1.27 2.77 -0.49 2.72 1.03 0.11 -1.29 118.70 124.82 1n49 s GLU 65 Ca -0.07 -1.43 -0.01 0.00 0.03 0.00 0.00 54.97 53.49 1n49 s GLU 65 Cb -0.12 -3.95 0.13 0.00 -0.80 0.00 0.00 34.13 29.38 1n49 s GLU 65 CO -0.04 -1.00 0.27 0.42 -1.33 0.00 0.00 175.26 173.58 1n49 s ILE 66 N 1.52 3.15 -0.74 1.83 1.01 0.06 -0.35 121.20 127.67 1n49 s ILE 66 Ca 0.04 -2.63 -0.00 0.00 0.00 0.00 0.00 60.65 58.05 1n49 s ILE 66 Cb -0.24 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1n49 s ILE 66 CO 0.04 -0.76 0.69 0.00 0.00 0.00 0.00 174.94 174.91 1n49 n GLY 68 N -1.73 0.80 3.32 0.00 0.00 -1.26 -4.91 105.19 101.42 1n49 n GLY 68 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1n49 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n49 s HIS 69 N -1.58 2.82 -0.13 1.61 4.02 -1.03 -5.10 115.29 115.90 1n49 s HIS 69 Ca 0.00 -0.83 -0.12 0.00 1.02 0.00 0.00 55.06 55.13 1n49 s HIS 69 Cb 0.00 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.58 29.62 1n49 s HIS 69 CO 0.00 -0.35 0.26 -1.59 1.02 0.00 0.00 174.74 174.07 1n49 s LYS 70 N 0.67 4.04 0.03 1.40 0.00 -1.26 -0.76 119.74 123.85 1n49 s LYS 70 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 55.97 55.96 1n49 s LYS 70 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 37.83 34.30 1n49 s LYS 70 CO 0.02 0.42 -0.04 0.00 0.00 0.00 0.00 175.35 175.75 1n49 s ALA 71 N -0.06 0.25 -0.13 0.59 0.00 -0.42 -4.81 121.76 117.18 1n49 s ALA 71 Ca 0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1n49 s ALA 71 Cb -0.13 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.18 1n49 s ALA 71 CO 0.04 -0.17 0.01 0.42 0.00 0.00 0.00 175.76 176.07 1n49 s ILE 72 N -1.80 0.46 0.00 0.00 1.01 -1.26 0.11 121.20 119.72 1n49 s ILE 72 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1n49 s ILE 72 Cb -0.07 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1n49 s ILE 72 CO -0.02 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1n49 n GLY 73 N 5.10 1.96 3.73 6.18 0.00 -0.64 -4.78 105.19 116.74 1n49 n GLY 73 Ca -0.08 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1n49 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n49 s THR 74 N -2.71 4.22 -0.14 2.61 2.01 -1.26 0.33 115.64 120.70 1n49 s THR 74 Ca 0.00 1.79 -0.02 0.00 0.31 0.00 0.00 61.69 63.77 1n49 s THR 74 Cb 0.00 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1n49 s THR 74 CO 0.00 0.25 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.48 1n49 s VAL 75 N 0.22 0.64 -0.08 3.82 1.01 0.63 -4.58 120.40 122.07 1n49 s VAL 75 Ca 0.51 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1n49 s VAL 75 Cb -0.26 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1n49 s VAL 75 CO 0.31 0.07 0.60 -0.76 0.00 0.00 0.00 175.10 175.33 1n49 s LEU 76 N 1.84 4.31 -0.09 3.92 1.43 -0.76 -1.93 118.68 127.40 1n49 s LEU 76 Ca 0.02 1.04 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 1n49 s LEU 76 Cb -0.15 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1n49 s LEU 76 CO -0.07 -0.05 -0.20 -0.69 0.23 0.00 0.00 176.35 175.57 1n49 s VAL 77 N 0.61 2.42 -2.01 -1.59 1.01 0.01 -1.29 120.40 119.57 1n49 s VAL 77 Ca 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1n49 s VAL 77 Cb -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1n49 s VAL 77 CO 0.15 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1n49 n GLY 78 N 3.23 -0.69 2.69 4.51 0.00 -0.78 -0.28 105.19 113.86 1n49 n GLY 78 Ca -0.18 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1n49 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n49 n PRO 79 N 0.00 2.34 -3.63 1.61 -0.04 -1.26 -1.65 135.00 132.37 1n49 n PRO 79 Ca 0.00 -1.84 -0.37 0.00 -0.04 0.00 0.00 63.50 61.26 1n49 n PRO 79 Cb 0.00 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 30.65 1n49 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1n49 s THR 80 N 3.54 5.32 -2.00 0.52 -1.32 -1.26 -4.94 115.64 115.50 1n49 s THR 80 Ca 0.50 0.47 0.12 0.00 -1.21 0.00 0.00 61.69 61.57 1n49 s THR 80 Cb 0.13 -3.57 0.33 0.00 -1.51 0.00 0.00 72.50 67.88 1n49 s THR 80 CO -0.01 0.48 1.14 -0.81 -2.21 0.00 0.00 174.62 173.21 1n49 n PRO 81 N 2.91 0.55 -3.60 7.08 -0.04 -1.26 -4.67 135.00 135.95 1n49 n PRO 81 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1n49 n PRO 81 Cb 0.53 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.59 1n49 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n49 s ALA 82 N -2.00 -1.83 -0.19 0.55 0.00 -1.26 -5.11 121.76 111.92 1n49 s ALA 82 Ca 0.17 1.80 -0.29 0.00 0.00 0.00 0.00 51.96 53.65 1n49 s ALA 82 Cb 0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1n49 s ALA 82 CO 0.13 -0.32 1.24 -0.80 0.00 0.00 0.00 175.76 176.01 1n49 s ASN 83 N -0.12 6.93 -0.12 0.00 0.01 -1.26 -4.64 114.94 115.73 1n49 s ASN 83 Ca -0.02 1.59 0.02 0.00 -0.71 0.00 0.00 52.86 53.74 1n49 s ASN 83 Cb -0.04 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1n49 s ASN 83 CO 0.02 -0.79 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.00 1n49 s ILE 84 N 3.58 2.52 -0.39 0.60 1.01 0.52 -1.45 121.20 127.59 1n49 s ILE 84 Ca 0.54 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 1n49 s ILE 84 Cb -0.20 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1n49 s ILE 84 CO 0.15 0.54 0.24 -0.63 0.00 0.00 0.00 174.94 175.23 1n49 s ILE 85 N 0.39 4.72 0.73 2.92 -1.09 -0.17 -0.03 121.20 128.67 1n49 s ILE 85 Ca -0.14 -0.87 -0.02 0.00 -2.23 0.00 0.00 60.65 57.39 1n49 s ILE 85 Cb -0.17 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.18 1n49 s ILE 85 CO 0.07 -0.29 1.01 -0.83 -1.23 0.00 0.00 174.94 173.68 1n49 s GLY 86 N 1.65 1.76 0.54 6.18 0.00 -1.12 -1.19 107.32 115.15 1n49 s GLY 86 Ca 0.03 -1.65 0.28 0.00 0.00 0.00 0.00 44.72 43.38 1n49 s GLY 86 CO 0.07 -1.08 1.94 3.21 0.00 0.00 0.00 173.10 177.24 1n49 h ARG 87 N -0.60 0.00 -0.47 2.90 3.08 -0.82 -1.78 114.38 116.69 1n49 h ARG 87 Ca -0.37 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.71 1n49 h ARG 87 Cb 1.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 1n49 h ARG 87 CO 0.41 0.00 0.32 -2.95 -1.07 0.00 0.00 179.97 176.68 1n49 h ASN 88 N 0.00 0.43 0.00 7.04 -1.07 -1.80 -2.44 115.58 117.74 1n49 h ASN 88 Ca 0.31 -0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.31 1n49 h ASN 88 Cb 1.31 -0.10 -0.07 0.00 -2.07 0.00 0.00 38.32 37.39 1n49 h ASN 88 CO -0.00 0.30 -2.38 0.18 0.07 0.00 0.00 177.43 175.59 1n49 n LEU 89 N -4.48 0.17 -0.36 6.14 4.77 -0.74 -4.06 117.00 118.44 1n49 n LEU 89 Ca 0.05 -0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1n49 n LEU 89 Cb 0.17 0.42 0.12 0.00 -2.33 0.00 0.00 43.42 41.79 1n49 n LEU 89 CO 0.35 0.52 1.27 -0.07 -1.33 0.00 0.00 177.39 178.13 1n49 h LEU 90 N 0.00 1.08 -0.58 2.23 3.38 -1.19 -1.75 115.31 118.47 1n49 h LEU 90 Ca -0.55 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 1n49 h LEU 90 Cb 2.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 1n49 h LEU 90 CO 0.02 0.76 0.03 0.71 0.09 0.00 0.00 178.44 180.05 1n49 h THR 91 N 1.26 1.26 -0.81 0.22 1.35 -1.65 -1.69 112.91 112.85 1n49 h THR 91 Ca 0.37 -1.08 0.13 0.00 -0.55 0.00 0.00 66.41 65.28 1n49 h THR 91 Cb -0.07 0.82 -0.09 0.00 -1.73 0.00 0.00 68.15 67.08 1n49 h THR 91 CO -0.10 0.39 0.41 1.56 -0.25 0.00 0.00 175.52 177.53 1n49 h GLN 92 N 0.90 0.60 -0.65 4.72 7.50 -1.48 0.24 115.11 126.95 1n49 h GLN 92 Ca 0.17 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1n49 h GLN 92 Cb 0.50 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.90 1n49 h GLN 92 CO 0.02 0.40 0.00 0.44 -1.50 0.00 0.00 178.83 178.19 1n49 n ILE 93 N -4.87 0.97 -3.30 2.54 -5.35 -0.92 -4.94 119.36 103.49 1n49 n ILE 93 Ca 0.15 -0.57 -0.11 0.00 -0.27 0.00 0.00 62.75 61.95 1n49 n ILE 93 Cb 0.38 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1n49 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n49 n GLY 94 N 0.55 -1.18 3.24 3.28 0.00 0.85 -5.01 105.19 106.91 1n49 n GLY 94 Ca 0.12 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.49 1n49 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n49 s THR 96 N -0.31 0.16 -0.08 0.00 -4.23 -1.26 -4.63 115.64 105.30 1n49 s THR 96 Ca 0.02 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1n49 s THR 96 Cb -0.11 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1n49 s THR 96 CO 0.01 -0.10 0.00 -0.76 -0.54 0.00 0.00 174.62 173.23 1n49 s LEU 97 N -3.17 3.57 -0.05 4.79 1.43 -1.26 -5.08 118.68 118.91 1n49 s LEU 97 Ca 0.35 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.54 1n49 s LEU 97 Cb 0.07 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1n49 s LEU 97 CO 0.10 0.37 0.13 0.20 0.23 0.00 0.00 176.35 177.38 1n49 s ASN 98 N -0.93 -0.13 0.00 2.29 0.01 -1.26 -5.29 114.94 109.63 1n49 s ASN 98 Ca 0.14 0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 1n49 s ASN 98 Cb -0.11 0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.81 1n49 s ASN 98 CO 0.03 -0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.79