#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q54 s GLN 2 N 0.00 3.11 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.46 2q54 s GLN 2 Ca 0.00 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.71 2q54 s GLN 2 Cb 0.00 -2.52 0.04 0.00 1.10 0.00 0.00 33.01 31.63 2q54 s GLN 2 CO 0.00 0.31 -0.14 0.42 -0.55 0.00 0.00 175.29 175.34 2q54 s ILE 3 N 0.08 2.04 0.93 -2.34 1.01 -1.26 -5.12 121.20 116.53 2q54 s ILE 3 Ca -0.06 -1.30 -0.12 0.00 0.00 0.00 0.00 60.65 59.17 2q54 s ILE 3 Cb -0.15 -2.04 0.15 0.00 0.01 0.00 0.00 42.46 40.43 2q54 s ILE 3 CO 0.05 0.19 1.13 0.42 0.00 0.00 0.00 174.94 176.73 2q54 s THR 4 N 1.22 2.02 -0.12 2.92 -4.23 -1.26 -5.01 115.64 111.17 2q54 s THR 4 Ca -0.03 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.63 2q54 s THR 4 Cb -0.17 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.21 2q54 s THR 4 CO -0.08 -0.01 1.14 0.18 -0.54 0.00 0.00 174.62 175.31 2q54 n LEU 5 N -3.84 2.41 -0.18 4.79 4.77 -1.26 -4.60 117.00 119.09 2q54 n LEU 5 Ca 0.06 -2.85 0.05 0.00 -0.03 0.00 0.00 56.01 53.25 2q54 n LEU 5 Cb 0.59 -0.35 0.33 0.00 -2.33 0.00 0.00 43.42 41.66 2q54 n LEU 5 CO 0.57 0.67 1.22 -0.50 -1.33 0.00 0.00 177.39 178.02 2q54 h TRP 6 N 0.18 0.79 -2.40 -1.77 4.06 -2.07 -3.43 115.95 111.31 2q54 h TRP 6 Ca 0.00 0.02 -0.53 0.00 2.06 0.00 0.00 58.89 60.44 2q54 h TRP 6 Cb 0.93 -0.26 -0.14 0.00 -1.00 0.00 0.00 29.16 28.69 2q54 h TRP 6 CO 0.04 0.44 -0.63 0.15 -3.56 0.00 0.00 178.44 174.88 2q54 s LYS 7 N -5.70 1.71 0.18 0.49 1.02 -1.26 -5.10 119.74 111.08 2q54 s LYS 7 Ca -0.10 -1.93 -0.33 0.00 0.02 0.00 0.00 55.97 53.63 2q54 s LYS 7 Cb 0.19 -1.23 -0.13 0.00 -0.52 0.00 0.00 37.83 36.14 2q54 s LYS 7 CO 0.77 -0.05 1.63 0.54 -0.92 0.00 0.00 175.35 177.31 2q54 n ARG 8 N -0.74 2.36 -1.43 1.68 1.74 -1.26 -4.83 116.66 114.19 2q54 n ARG 8 Ca -0.04 0.85 -0.42 0.00 -0.77 0.00 0.00 57.85 57.47 2q54 n ARG 8 Cb 0.65 -2.65 -0.04 0.00 -1.02 0.00 0.00 32.46 29.41 2q54 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q54 n PRO 9 N 3.58 1.89 -3.25 5.56 -0.04 -1.26 -4.92 135.00 136.56 2q54 n PRO 9 Ca 0.17 -2.14 -0.39 0.00 -0.04 0.00 0.00 63.50 61.10 2q54 n PRO 9 Cb 0.31 -3.10 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 2q54 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q54 s LEU 10 N 2.48 4.37 0.15 1.53 1.43 -1.26 -1.26 118.68 126.12 2q54 s LEU 10 Ca 0.56 1.05 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2q54 s LEU 10 Cb 0.12 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2q54 s LEU 10 CO 0.07 0.07 -0.03 0.68 0.23 0.00 0.00 176.35 177.37 2q54 s VAL 11 N 0.06 0.72 -0.06 -1.59 -7.23 0.11 -4.91 120.40 107.50 2q54 s VAL 11 Ca 0.30 -1.97 -0.27 0.00 -1.81 0.00 0.00 61.98 58.22 2q54 s VAL 11 Cb -0.17 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2q54 s VAL 11 CO 0.15 -0.63 0.89 -0.89 -0.31 0.00 0.00 175.10 174.30 2q54 s THR 12 N -3.62 4.91 0.25 5.32 2.01 -1.26 -0.49 115.64 122.76 2q54 s THR 12 Ca 0.19 1.82 0.11 0.00 0.31 0.00 0.00 61.69 64.12 2q54 s THR 12 Cb 0.05 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2q54 s THR 12 CO 0.01 0.14 -0.12 0.27 -0.69 0.00 0.00 174.62 174.23 2q54 s ILE 13 N 1.30 2.92 -0.07 1.82 -4.36 0.12 -2.17 121.20 120.76 2q54 s ILE 13 Ca 0.45 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.78 2q54 s ILE 13 Cb -0.19 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.00 2q54 s ILE 13 CO 0.21 -0.33 -0.16 -0.60 0.24 0.00 0.00 174.94 174.30 2q54 s ARG 14 N -3.41 2.09 -0.15 0.37 3.52 0.99 -0.96 118.95 121.39 2q54 s ARG 14 Ca 0.29 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 55.27 2q54 s ARG 14 Cb -0.06 -1.68 0.07 0.00 -1.56 0.00 0.00 34.95 31.72 2q54 s ARG 14 CO 0.16 0.11 0.21 -1.50 -0.81 0.00 0.00 175.30 173.47 2q54 s ILE 15 N 0.46 -0.31 0.00 4.11 2.07 -0.87 -0.78 121.20 125.88 2q54 s ILE 15 Ca -0.14 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 2q54 s ILE 15 Cb -0.16 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 41.92 2q54 s ILE 15 CO 0.05 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2q54 n GLY 16 N 5.33 2.67 1.64 1.50 0.00 -1.26 -2.31 105.19 112.76 2q54 n GLY 16 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2q54 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q54 n GLY 17 N 0.00 2.90 3.26 -0.02 0.00 -1.26 -4.84 105.19 105.23 2q54 n GLY 17 Ca 0.00 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 2q54 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q54 s GLN 18 N -2.38 2.81 0.17 1.61 -1.52 -0.98 -5.09 119.66 114.28 2q54 s GLN 18 Ca 0.42 -1.03 -0.27 0.00 -1.95 0.00 0.00 55.36 52.53 2q54 s GLN 18 Cb 0.33 -3.24 -0.08 0.00 -0.22 0.00 0.00 33.01 29.80 2q54 s GLN 18 CO 0.11 -0.50 0.85 -0.51 -0.25 0.00 0.00 175.29 174.99 2q54 s LEU 19 N 1.39 4.58 0.04 2.90 1.43 -1.26 -2.05 118.68 125.71 2q54 s LEU 19 Ca -0.00 1.73 -0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2q54 s LEU 19 Cb -0.18 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 2q54 s LEU 19 CO -0.00 0.13 -0.00 -0.54 0.23 0.00 0.00 176.35 176.17 2q54 s LYS 20 N -0.87 0.56 -0.18 1.70 1.02 -0.14 -4.98 119.74 116.85 2q54 s LYS 20 Ca 0.39 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 2q54 s LYS 20 Cb -0.24 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 2q54 s LYS 20 CO 0.28 -0.11 0.18 -1.21 -0.92 0.00 0.00 175.35 173.57 2q54 s GLU 21 N -3.21 4.14 0.02 1.68 0.41 -1.26 0.12 118.70 120.60 2q54 s GLU 21 Ca 0.00 -0.12 -0.00 0.00 -0.41 0.00 0.00 54.97 54.44 2q54 s GLU 21 Cb 0.03 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 28.96 2q54 s GLU 21 CO -0.07 0.33 -0.03 0.00 -0.49 0.00 0.00 175.26 175.00 2q54 s ALA 22 N 0.26 0.11 -0.04 5.21 0.00 0.36 -4.44 121.76 123.21 2q54 s ALA 22 Ca 0.11 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 2q54 s ALA 22 Cb -0.12 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2q54 s ALA 22 CO 0.00 -0.16 1.01 -0.51 0.00 0.00 0.00 175.76 176.11 2q54 s LEU 23 N -1.42 4.31 -0.50 0.00 1.43 0.74 -0.71 118.68 122.53 2q54 s LEU 23 Ca -0.16 1.63 -0.29 0.00 -1.03 0.00 0.00 54.13 54.29 2q54 s LEU 23 Cb -0.10 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2q54 s LEU 23 CO -0.01 -0.36 1.28 -0.76 0.23 0.00 0.00 176.35 176.72 2q54 s LEU 24 N 1.49 3.53 -0.38 1.79 1.43 -0.39 -0.03 118.68 126.13 2q54 s LEU 24 Ca 0.51 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 2q54 s LEU 24 Cb -0.20 -3.36 0.11 0.00 0.03 0.00 0.00 46.19 42.76 2q54 s LEU 24 CO 0.23 -1.44 0.11 -0.62 0.23 0.00 0.00 176.35 174.86 2q54 s ASP 25 N 3.34 4.48 0.51 2.29 2.15 -0.15 -4.81 116.67 124.48 2q54 s ASP 25 Ca 0.51 -2.28 0.34 0.00 0.43 0.00 0.00 52.55 51.55 2q54 s ASP 25 Cb -0.09 -1.46 1.59 0.00 -0.30 0.00 0.00 42.92 42.65 2q54 s ASP 25 CO 0.29 -0.35 2.01 0.71 -0.17 0.00 0.00 175.17 177.67 2q54 h THR 26 N 6.27 0.00 -0.27 1.71 1.35 -1.94 -2.17 112.91 117.86 2q54 h THR 26 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2q54 h THR 26 Cb 0.99 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2q54 h THR 26 CO 0.54 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2q54 n GLY 27 N -0.45 0.55 3.35 5.82 0.00 -1.26 -4.82 105.19 108.38 2q54 n GLY 27 Ca -0.00 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 2q54 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q54 s ALA 28 N -1.64 2.76 0.22 4.61 0.00 -0.81 -4.99 121.76 121.91 2q54 s ALA 28 Ca 0.29 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.16 2q54 s ALA 28 Cb 0.15 -1.51 0.20 0.00 0.00 0.00 0.00 23.12 21.96 2q54 s ALA 28 CO 0.22 -0.13 1.70 -0.44 0.00 0.00 0.00 175.76 177.11 2q54 h ASP 29 N 7.48 0.92 -3.11 0.00 3.32 -1.87 0.15 116.42 123.31 2q54 h ASP 29 Ca -0.35 -0.24 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 2q54 h ASP 29 Cb 1.18 -0.25 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 2q54 h ASP 29 CO 0.59 0.97 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.49 2q54 s ASP 30 N -6.60 3.15 -0.12 6.45 1.01 -1.26 -2.77 116.67 116.53 2q54 s ASP 30 Ca -0.11 -0.91 -0.22 0.00 0.71 0.00 0.00 52.55 52.03 2q54 s ASP 30 Cb 0.14 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 2q54 s ASP 30 CO 0.84 0.03 0.65 -0.89 0.21 0.00 0.00 175.17 176.01 2q54 s THR 31 N -2.06 5.05 -0.13 -1.27 2.01 -1.26 -3.62 115.64 114.37 2q54 s THR 31 Ca 0.21 1.29 -0.01 0.00 0.31 0.00 0.00 61.69 63.50 2q54 s THR 31 Cb -0.06 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.50 2q54 s THR 31 CO 0.10 0.20 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.48 2q54 s VAL 32 N 1.22 0.98 0.06 3.82 1.01 -0.25 -0.93 120.40 126.31 2q54 s VAL 32 Ca 0.33 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2q54 s VAL 32 Cb -0.17 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2q54 s VAL 32 CO 0.14 0.28 -0.07 -0.76 0.00 0.00 0.00 175.10 174.68 2q54 s LEU 33 N 1.72 3.15 0.71 3.92 1.43 0.80 -0.45 118.68 129.96 2q54 s LEU 33 Ca 0.04 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.72 2q54 s LEU 33 Cb -0.13 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2q54 s LEU 33 CO -0.08 0.22 0.57 -1.84 0.23 0.00 0.00 176.35 175.46 2q54 n GLU 34 N 1.04 0.33 -1.63 1.70 0.28 -1.26 -2.14 120.64 118.96 2q54 n GLU 34 Ca -0.14 0.15 -0.59 0.00 -0.16 0.00 0.00 57.16 56.43 2q54 n GLU 34 Cb 0.52 -1.86 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 2q54 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2q54 n GLU 35 N -0.80 0.59 -3.64 3.44 4.07 -1.14 -4.58 120.64 118.57 2q54 n GLU 35 Ca 0.10 0.21 -0.15 0.00 -0.06 0.00 0.00 57.16 57.26 2q54 n GLU 35 Cb 0.50 -1.80 -0.08 0.00 -0.06 0.00 0.00 31.44 30.01 2q54 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q54 s MET 36 N 1.65 0.82 -1.19 5.31 0.23 -1.26 -5.02 119.30 119.84 2q54 s MET 36 Ca 0.94 0.29 -0.08 0.00 -1.03 0.00 0.00 55.69 55.81 2q54 s MET 36 Cb -1.19 0.39 0.23 0.00 -1.53 0.00 0.00 34.83 32.73 2q54 s MET 36 CO 0.62 -0.21 1.63 -1.71 -2.03 0.00 0.00 175.02 173.32 2q54 n ASN 37 N 1.59 5.64 -4.77 -1.18 5.15 -1.26 -5.00 115.26 115.43 2q54 n ASN 37 Ca -0.18 -3.21 -0.36 0.00 -0.60 0.00 0.00 54.58 50.23 2q54 n ASN 37 Cb 0.56 -1.40 -0.01 0.00 -0.53 0.00 0.00 39.78 38.41 2q54 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2q54 s LEU 38 N -1.07 3.92 0.72 1.20 1.43 -1.26 -5.03 118.68 118.59 2q54 s LEU 38 Ca 0.36 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2q54 s LEU 38 Cb 0.05 -4.36 0.02 0.00 0.03 0.00 0.00 46.19 41.93 2q54 s LEU 38 CO 0.04 -1.01 1.07 -2.16 0.23 0.00 0.00 176.35 174.52 2q54 s PRO 39 N -2.91 2.74 0.00 1.29 0.04 -1.26 -4.99 135.00 129.92 2q54 s PRO 39 Ca 0.67 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2q54 s PRO 39 Cb -0.27 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2q54 s PRO 39 CO 0.32 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.55 2q54 n GLY 40 N -2.03 -3.89 3.77 0.56 0.00 -1.26 -4.98 105.19 97.36 2q54 n GLY 40 Ca 0.07 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 2q54 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q54 s LYS 41 N -0.99 3.09 0.23 1.61 0.00 -1.26 -5.06 119.74 117.36 2q54 s LYS 41 Ca 0.00 1.52 -0.13 0.00 0.00 0.00 0.00 55.97 57.36 2q54 s LYS 41 Cb 0.00 -1.98 -0.00 0.00 0.00 0.00 0.00 37.83 35.85 2q54 s LYS 41 CO 0.00 -1.04 0.45 1.67 0.00 0.00 0.00 175.35 176.43 2q54 s TRP 42 N -2.02 0.32 0.04 1.78 1.48 -1.26 -4.62 118.94 114.64 2q54 s TRP 42 Ca 0.70 -0.67 0.04 0.00 -1.06 0.00 0.00 56.10 55.10 2q54 s TRP 42 Cb -0.22 0.17 -0.02 0.00 -1.16 0.00 0.00 33.47 32.23 2q54 s TRP 42 CO 0.34 -0.94 -0.11 -1.59 -4.06 0.00 0.00 176.95 170.59 2q54 s LYS 43 N -3.99 0.74 0.47 3.25 -2.85 -0.74 -4.92 119.74 111.70 2q54 s LYS 43 Ca 0.20 -0.69 -0.22 0.00 -1.00 0.00 0.00 55.97 54.26 2q54 s LYS 43 Cb -0.00 -0.69 -0.08 0.00 -2.06 0.00 0.00 37.83 35.01 2q54 s LYS 43 CO 0.06 0.16 1.11 -1.25 0.10 0.00 0.00 175.35 175.54 2q54 s PRO 44 N -1.16 3.77 0.01 1.78 0.04 -1.26 -0.59 135.00 137.59 2q54 s PRO 44 Ca -0.02 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.43 2q54 s PRO 44 Cb -0.08 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.21 2q54 s PRO 44 CO 0.01 -0.51 0.49 0.21 0.04 0.00 0.00 177.00 177.24 2q54 s LYS 45 N -2.86 0.95 -0.10 4.56 2.20 -0.67 -4.88 119.74 118.94 2q54 s LYS 45 Ca 0.65 -0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 56.10 2q54 s LYS 45 Cb -0.24 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 2q54 s LYS 45 CO 0.29 -0.32 -0.06 -1.64 -0.36 0.00 0.00 175.35 173.27 2q54 s MET 46 N -1.96 3.09 -0.01 4.03 -1.94 -1.26 -0.64 119.30 120.61 2q54 s MET 46 Ca -0.08 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 2q54 s MET 46 Cb -0.01 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.10 2q54 s MET 46 CO 0.02 0.51 -0.15 0.96 -0.01 0.00 0.00 175.02 176.35 2q54 s ILE 47 N -0.38 1.17 0.20 2.53 -4.36 -0.55 -4.98 121.20 114.82 2q54 s ILE 47 Ca 0.06 -0.67 0.08 0.00 -0.26 0.00 0.00 60.65 59.86 2q54 s ILE 47 Cb -0.12 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.57 2q54 s ILE 47 CO 0.02 0.30 -0.03 -0.83 0.24 0.00 0.00 174.94 174.64 2q54 s GLY 48 N -0.43 1.71 0.00 6.27 0.00 -1.26 -0.82 107.32 112.79 2q54 s GLY 48 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2q54 s GLY 48 CO -0.00 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.21 2q54 n GLY 49 N -0.25 3.26 3.73 0.20 0.00 -0.14 -4.97 105.19 107.02 2q54 n GLY 49 Ca -0.09 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2q54 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q54 s ILE 50 N -1.67 2.70 0.00 -0.61 1.01 -1.26 -2.47 121.20 118.89 2q54 s ILE 50 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2q54 s ILE 50 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2q54 s ILE 50 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2q54 n GLY 51 N 3.19 3.23 0.00 6.18 0.00 -1.26 -4.95 105.19 111.59 2q54 n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2q54 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q54 n GLY 52 N -0.97 0.66 3.63 -0.02 0.00 -1.03 -5.10 105.19 102.36 2q54 n GLY 52 Ca 0.00 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 2q54 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q54 s PHE 53 N -2.49 2.82 0.17 1.61 0.40 -1.26 -0.96 117.98 118.26 2q54 s PHE 53 Ca 0.00 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 2q54 s PHE 53 Cb 0.00 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2q54 s PHE 53 CO 0.00 0.48 -0.16 0.96 0.70 0.00 0.00 175.22 177.20 2q54 s ILE 54 N -1.47 1.70 -0.06 0.64 -4.36 0.00 -4.97 121.20 112.68 2q54 s ILE 54 Ca 0.25 -1.97 -0.21 0.00 -0.26 0.00 0.00 60.65 58.46 2q54 s ILE 54 Cb -0.10 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 2q54 s ILE 54 CO 0.17 -0.42 0.60 -1.59 0.24 0.00 0.00 174.94 173.93 2q54 s LYS 55 N -3.03 4.37 0.23 0.37 0.00 -1.26 -1.49 119.74 118.93 2q54 s LYS 55 Ca 0.16 0.70 0.03 0.00 0.00 0.00 0.00 55.97 56.86 2q54 s LYS 55 Cb -0.04 -3.41 -0.05 0.00 0.00 0.00 0.00 37.83 34.33 2q54 s LYS 55 CO 0.06 0.19 0.02 0.14 0.00 0.00 0.00 175.35 175.77 2q54 s VAL 56 N 0.42 0.85 -0.21 1.79 -7.23 0.19 -4.36 120.40 111.84 2q54 s VAL 56 Ca 0.32 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 2q54 s VAL 56 Cb -0.17 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2q54 s VAL 56 CO 0.15 -0.27 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.53 2q54 s ARG 57 N -3.91 3.53 -0.30 4.82 0.52 0.15 -1.67 118.95 122.08 2q54 s ARG 57 Ca 0.30 -0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 54.75 2q54 s ARG 57 Cb 0.06 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 2q54 s ARG 57 CO 0.09 -0.10 0.62 -1.14 0.02 0.00 0.00 175.30 174.79 2q54 s GLN 58 N 1.27 3.90 -0.09 3.54 0.74 0.24 -0.37 119.66 128.89 2q54 s GLN 58 Ca 0.04 0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.73 2q54 s GLN 58 Cb -0.15 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 2q54 s GLN 58 CO 0.00 -0.56 -0.10 0.71 -0.55 0.00 0.00 175.29 174.79 2q54 s TYR 59 N 2.58 2.85 0.17 1.67 1.51 0.16 -1.79 117.35 124.51 2q54 s TYR 59 Ca 0.25 -0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.12 2q54 s TYR 59 Cb -0.15 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2q54 s TYR 59 CO 0.12 0.10 0.08 -0.51 -1.11 0.00 0.00 175.55 174.23 2q54 s ASP 60 N -0.33 5.23 -1.38 2.29 1.01 -1.26 -0.38 116.67 121.86 2q54 s ASP 60 Ca 0.04 -0.23 -0.03 0.00 0.71 0.00 0.00 52.55 53.04 2q54 s ASP 60 Cb -0.13 -1.28 0.02 0.00 1.01 0.00 0.00 42.92 42.55 2q54 s ASP 60 CO 0.02 0.08 0.67 0.00 0.21 0.00 0.00 175.17 176.15 2q54 n GLN 61 N -0.25 -4.53 -3.43 8.23 1.13 -1.03 -4.90 117.38 112.60 2q54 n GLN 61 Ca -0.09 0.55 -0.39 0.00 -1.94 0.00 0.00 57.00 55.14 2q54 n GLN 61 Cb 0.55 -5.05 -0.09 0.00 0.11 0.00 0.00 30.24 25.76 2q54 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q54 s ILE 62 N -3.68 5.21 0.12 5.09 -1.09 -0.01 -4.74 121.20 122.11 2q54 s ILE 62 Ca 0.12 0.52 -0.31 0.00 -2.23 0.00 0.00 60.65 58.75 2q54 s ILE 62 Cb -0.06 -3.67 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2q54 s ILE 62 CO 0.84 0.20 1.38 -2.84 -1.23 0.00 0.00 174.94 173.29 2q54 s PRO 63 N 1.80 4.33 -0.02 2.79 0.02 -1.26 -2.17 135.00 140.49 2q54 s PRO 63 Ca 0.14 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.25 2q54 s PRO 63 Cb -0.15 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2q54 s PRO 63 CO 0.09 -0.42 -0.08 0.42 -0.33 0.00 0.00 177.00 176.68 2q54 s ILE 64 N 1.01 0.69 -0.19 2.83 1.01 -0.44 -4.53 121.20 121.59 2q54 s ILE 64 Ca 0.64 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 2q54 s ILE 64 Cb -0.37 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2q54 s ILE 64 CO 0.31 0.22 0.01 -0.70 0.00 0.00 0.00 174.94 174.77 2q54 s GLU 65 N 0.11 3.70 -0.27 2.79 2.12 0.04 -0.89 118.70 126.30 2q54 s GLU 65 Ca -0.02 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2q54 s GLU 65 Cb -0.07 -3.07 0.05 0.00 0.26 0.00 0.00 34.13 31.29 2q54 s GLU 65 CO 0.00 0.11 -0.06 0.42 -0.54 0.00 0.00 175.26 175.18 2q54 s ILE 66 N 0.76 2.62 -1.59 -3.70 1.01 0.33 -0.01 121.20 120.62 2q54 s ILE 66 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.11 2q54 s ILE 66 Cb -0.14 -2.47 0.12 0.00 0.01 0.00 0.00 42.46 39.98 2q54 s ILE 66 CO 0.02 0.01 0.87 0.00 0.00 0.00 0.00 174.94 175.84 2q54 n GLY 68 N -1.52 0.69 3.54 0.00 0.00 -1.26 -5.02 105.19 101.61 2q54 n GLY 68 Ca 0.06 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2q54 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q54 s HIS 69 N -2.04 3.06 0.18 1.61 4.02 -0.05 -5.10 115.29 116.97 2q54 s HIS 69 Ca 0.00 -0.19 -0.24 0.00 1.02 0.00 0.00 55.06 55.65 2q54 s HIS 69 Cb 0.00 -1.94 -0.08 0.00 -1.02 0.00 0.00 32.58 29.54 2q54 s HIS 69 CO 0.00 0.06 0.78 0.15 1.02 0.00 0.00 174.74 176.75 2q54 s LYS 70 N 0.17 4.52 0.13 1.40 1.02 -1.26 -0.51 119.74 125.20 2q54 s LYS 70 Ca -0.01 1.13 -0.05 0.00 0.02 0.00 0.00 55.97 57.06 2q54 s LYS 70 Cb -0.13 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2q54 s LYS 70 CO 0.02 0.53 0.15 0.00 -0.92 0.00 0.00 175.35 175.13 2q54 s ALA 71 N -1.23 0.36 -0.23 5.17 0.00 -0.07 -4.69 121.76 121.07 2q54 s ALA 71 Ca 0.38 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2q54 s ALA 71 Cb -0.22 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.73 2q54 s ALA 71 CO 0.25 -0.53 0.53 -1.50 0.00 0.00 0.00 175.76 174.51 2q54 s ILE 72 N -3.98 -0.40 0.00 0.00 2.07 -1.26 -1.33 121.20 116.31 2q54 s ILE 72 Ca 0.17 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 2q54 s ILE 72 Cb 0.06 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.85 2q54 s ILE 72 CO -0.02 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 2q54 n GLY 73 N 4.84 0.97 3.74 1.50 0.00 -0.92 -4.85 105.19 110.47 2q54 n GLY 73 Ca -0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 2q54 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q54 s THR 74 N -2.16 4.20 -0.06 2.61 2.01 -1.26 -0.83 115.64 120.16 2q54 s THR 74 Ca 0.00 2.08 0.02 0.00 0.31 0.00 0.00 61.69 64.09 2q54 s THR 74 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.20 2q54 s THR 74 CO 0.00 0.44 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.59 2q54 s VAL 75 N -0.79 0.88 -0.21 3.82 1.01 0.49 -4.49 120.40 121.11 2q54 s VAL 75 Ca 0.43 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2q54 s VAL 75 Cb -0.25 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2q54 s VAL 75 CO 0.31 0.30 0.15 -0.76 0.00 0.00 0.00 175.10 175.10 2q54 s LEU 76 N 0.82 4.19 -0.14 3.92 1.43 -0.10 -0.66 118.68 128.14 2q54 s LEU 76 Ca -0.12 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2q54 s LEU 76 Cb -0.15 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.96 2q54 s LEU 76 CO 0.02 0.15 -0.17 -0.69 0.23 0.00 0.00 176.35 175.88 2q54 s VAL 77 N 0.52 2.53 -0.06 -1.59 1.01 0.50 -0.14 120.40 123.16 2q54 s VAL 77 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2q54 s VAL 77 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2q54 s VAL 77 CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2q54 n GLY 78 N 3.90 -1.18 2.38 4.51 0.00 -0.91 0.33 105.19 114.23 2q54 n GLY 78 Ca -0.19 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2q54 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q54 n PRO 79 N -0.01 3.16 -2.85 1.61 -0.04 -1.26 -2.90 135.00 132.71 2q54 n PRO 79 Ca 0.00 -1.92 -0.38 0.00 -0.04 0.00 0.00 63.50 61.16 2q54 n PRO 79 Cb 0.00 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 30.74 2q54 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q54 s THR 80 N 2.46 4.25 0.30 0.52 -1.32 -1.26 -4.98 115.64 115.61 2q54 s THR 80 Ca 0.61 1.81 0.28 0.00 -1.21 0.00 0.00 61.69 63.18 2q54 s THR 80 Cb 0.16 -4.10 0.30 0.00 -1.51 0.00 0.00 72.50 67.35 2q54 s THR 80 CO -0.05 0.31 2.00 -0.65 -2.21 0.00 0.00 174.62 174.03 2q54 h PRO 81 N 3.67 0.00 -3.68 7.08 0.11 -1.99 -3.43 132.00 133.76 2q54 h PRO 81 Ca -0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 2q54 h PRO 81 Cb 1.20 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.08 2q54 h PRO 81 CO 0.66 0.13 -0.60 0.14 -0.21 0.00 0.00 178.00 178.12 2q54 s VAL 82 N -3.94 0.07 0.05 3.15 -7.23 -1.26 -5.07 120.40 106.16 2q54 s VAL 82 Ca -0.01 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.25 2q54 s VAL 82 Cb 0.12 -0.30 -0.06 0.00 0.56 0.00 0.00 36.38 36.70 2q54 s VAL 82 CO 0.58 -0.33 1.28 0.20 -0.31 0.00 0.00 175.10 176.52 2q54 s ASN 83 N -1.07 6.97 -0.18 4.85 0.01 -1.26 -4.66 114.94 119.60 2q54 s ASN 83 Ca -0.12 2.08 0.01 0.00 -0.71 0.00 0.00 52.86 54.12 2q54 s ASN 83 Cb -0.07 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2q54 s ASN 83 CO 0.00 -0.57 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.22 2q54 s ILE 84 N 1.48 1.90 -0.39 0.60 1.01 0.40 -0.18 121.20 126.02 2q54 s ILE 84 Ca 0.61 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 2q54 s ILE 84 Cb -0.31 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.41 2q54 s ILE 84 CO 0.28 0.47 0.52 -0.63 0.00 0.00 0.00 174.94 175.58 2q54 s ILE 85 N 1.34 4.99 0.67 2.92 -1.09 0.96 -1.09 121.20 129.90 2q54 s ILE 85 Ca 0.04 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 2q54 s ILE 85 Cb -0.13 -4.05 0.11 0.00 -1.58 0.00 0.00 42.46 36.81 2q54 s ILE 85 CO -0.12 -0.38 0.93 -0.83 -1.23 0.00 0.00 174.94 173.31 2q54 s GLY 86 N 1.84 1.76 0.52 6.18 0.00 -1.24 -0.98 107.32 115.41 2q54 s GLY 86 Ca 0.18 -1.79 0.19 0.00 0.00 0.00 0.00 44.72 43.30 2q54 s GLY 86 CO 0.15 -1.27 2.09 3.21 0.00 0.00 0.00 173.10 177.28 2q54 h ARG 87 N -0.32 0.01 -0.48 2.90 3.08 -0.70 -1.27 114.38 117.60 2q54 h ARG 87 Ca -0.35 -0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.79 2q54 h ARG 87 Cb 1.27 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 2q54 h ARG 87 CO 0.41 0.01 0.33 -2.95 -1.07 0.00 0.00 179.97 176.70 2q54 h ASN 88 N 0.01 0.22 0.00 7.04 -1.07 -1.78 -2.15 115.58 117.85 2q54 h ASN 88 Ca 0.10 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.13 2q54 h ASN 88 Cb 0.39 -0.04 -0.06 0.00 -2.07 0.00 0.00 38.32 36.53 2q54 h ASN 88 CO -0.00 0.14 -2.30 0.18 0.07 0.00 0.00 177.43 175.52 2q54 n LEU 89 N -4.46 0.31 -0.35 6.14 4.77 -0.77 -4.39 117.00 118.25 2q54 n LEU 89 Ca 0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2q54 n LEU 89 Cb 0.37 0.33 0.14 0.00 -2.33 0.00 0.00 43.42 41.93 2q54 n LEU 89 CO 0.35 0.51 1.25 -0.07 -1.33 0.00 0.00 177.39 178.10 2q54 h LEU 90 N 0.00 1.02 -1.14 2.23 3.38 -1.04 -1.53 115.31 118.23 2q54 h LEU 90 Ca -0.51 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.46 2q54 h LEU 90 Cb 2.12 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.61 2q54 h LEU 90 CO 0.02 0.69 0.58 0.71 0.09 0.00 0.00 178.44 180.52 2q54 h THR 91 N 1.18 1.23 -0.11 0.22 1.35 -1.63 -1.54 112.91 113.61 2q54 h THR 91 Ca 0.39 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.79 2q54 h THR 91 Cb 0.04 -0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.39 2q54 h THR 91 CO -0.13 0.22 -0.17 1.56 -0.25 0.00 0.00 175.52 176.74 2q54 h GLN 92 N 1.18 0.18 -0.52 4.72 4.20 -1.49 -2.04 115.11 121.35 2q54 h GLN 92 Ca 0.32 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2q54 h GLN 92 Cb -0.14 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2q54 h GLN 92 CO -0.07 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.88 2q54 n ILE 93 N -4.26 0.69 -2.45 2.54 -5.35 -1.05 -4.95 119.36 104.53 2q54 n ILE 93 Ca -0.01 -0.73 -0.06 0.00 -0.27 0.00 0.00 62.75 61.67 2q54 n ILE 93 Cb 0.28 0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.65 2q54 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q54 n GLY 94 N 1.40 0.31 3.73 3.28 0.00 -0.77 -5.00 105.19 108.15 2q54 n GLY 94 Ca 0.19 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 2q54 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q54 s THR 96 N 0.30 1.45 -0.05 0.00 -4.23 -1.26 -4.69 115.64 107.16 2q54 s THR 96 Ca 0.41 -2.11 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 2q54 s THR 96 Cb -0.20 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 2q54 s THR 96 CO 0.23 -0.66 0.30 -0.76 -0.54 0.00 0.00 174.62 173.19 2q54 s LEU 97 N -3.19 4.44 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.76 2q54 s LEU 97 Ca 0.19 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 54.03 2q54 s LEU 97 Cb 0.01 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2q54 s LEU 97 CO 0.04 0.35 0.04 0.20 0.23 0.00 0.00 176.35 177.21 2q54 s ASN 98 N -1.10 0.05 0.00 2.29 0.01 -1.26 -5.30 114.94 109.63 2q54 s ASN 98 Ca 0.21 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.42 2q54 s ASN 98 Cb -0.15 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.48 2q54 s ASN 98 CO 0.10 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.79