#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk n ARG 3 N 0.00 -2.75 -3.15 -0.52 1.74 -1.26 -5.06 116.66 105.66 1ibk n ARG 3 Ca 0.00 -0.80 0.04 0.00 -0.77 0.00 0.00 57.85 56.32 1ibk n ARG 3 Cb 0.00 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 1ibk n ARG 3 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ibk s SER 4 N -2.23 -1.13 -0.04 0.55 1.04 -1.26 -5.05 113.70 105.59 1ibk s SER 4 Ca 0.51 0.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.47 1ibk s SER 4 Cb -0.11 1.91 -0.03 0.00 0.10 0.00 0.00 66.02 67.89 1ibk s SER 4 CO 0.50 -0.21 -0.17 0.18 0.98 0.00 0.00 173.24 174.52 1ibk n LEU 5 N 5.43 1.45 0.00 2.42 4.77 -1.26 -5.12 117.00 124.69 1ibk n LEU 5 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1ibk n LEU 5 Cb 0.52 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ibk n LEU 5 CO -0.02 -0.45 0.00 0.29 -1.33 0.00 0.00 177.39 175.88 1ibk n LYS 6 N -3.92 0.00 -3.51 3.23 5.02 -1.26 -4.95 118.16 112.77 1ibk n LYS 6 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.96 1ibk n LYS 6 Cb 0.29 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.17 1ibk n LYS 6 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ibk s LYS 7 N 0.00 0.21 0.00 1.97 -2.85 -1.26 -5.00 119.74 112.81 1ibk s LYS 7 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1ibk s LYS 7 Cb 0.00 -1.11 0.00 0.00 -2.06 0.00 0.00 37.83 34.66 1ibk s LYS 7 CO 0.00 -0.95 0.00 0.41 0.10 0.00 0.00 175.35 174.91 1ibk n GLY 8 N 5.28 0.94 0.00 0.59 0.00 -1.26 -5.12 105.19 105.62 1ibk n GLY 8 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1ibk n GLY 8 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ibk n VAL 9 N 0.17 0.00 -3.68 1.61 3.14 -1.26 -5.05 118.33 113.26 1ibk n VAL 9 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1ibk n VAL 9 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 1ibk n VAL 9 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1ibk s PHE 10 N -0.14 -0.74 -0.22 1.45 5.36 -1.26 -5.10 117.98 117.34 1ibk s PHE 10 Ca 0.00 1.58 -0.05 0.00 -0.96 0.00 0.00 56.93 57.50 1ibk s PHE 10 Cb 0.00 0.37 0.11 0.00 -0.34 0.00 0.00 43.02 43.16 1ibk s PHE 10 CO 0.00 -0.39 0.42 0.08 -1.46 0.00 0.00 175.22 173.87 1ibk s VAL 11 N 1.23 -0.66 -0.23 3.12 1.01 -1.26 0.44 120.40 124.05 1ibk s VAL 11 Ca -0.08 0.08 -0.34 0.00 0.00 0.00 0.00 61.98 61.65 1ibk s VAL 11 Cb -0.06 -0.73 -0.11 0.00 0.00 0.00 0.00 36.38 35.47 1ibk s VAL 11 CO -0.12 0.01 2.05 0.47 0.00 0.00 0.00 175.10 177.50 1ibk n ASP 12 N 5.39 2.81 -0.36 3.32 9.92 -1.26 -4.72 116.55 131.64 1ibk n ASP 12 Ca -0.07 0.64 0.32 0.00 -0.53 0.00 0.00 54.79 55.16 1ibk n ASP 12 Cb 0.50 -1.34 0.50 0.00 -0.64 0.00 0.00 41.12 40.14 1ibk n ASP 12 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ibk n ASP 13 N 8.60 0.00 0.00 -2.24 3.85 -1.26 -3.31 116.55 122.20 1ibk n ASP 13 Ca 0.31 0.70 0.00 0.00 -0.71 0.00 0.00 54.79 55.10 1ibk n ASP 13 Cb 0.28 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 1ibk n ASP 13 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1ibk n HIS 14 N -3.19 0.00 0.24 2.11 8.25 -1.26 0.07 115.22 121.44 1ibk n HIS 14 Ca 0.27 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.81 1ibk n HIS 14 Cb 1.43 0.00 0.36 0.00 1.12 0.00 0.00 29.99 32.91 1ibk n HIS 14 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1ibk n LEU 15 N -0.12 0.34 0.00 2.41 -0.00 -1.21 -1.18 117.00 117.24 1ibk n LEU 15 Ca 0.00 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 1ibk n LEU 15 Cb 0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 43.42 42.79 1ibk n LEU 15 CO 0.00 -0.62 0.12 -0.11 -0.00 0.00 0.00 177.39 176.78 1ibk n LEU 16 N -1.92 0.81 -0.17 1.47 7.94 -0.43 0.16 117.00 124.86 1ibk n LEU 16 Ca 0.01 0.45 0.29 0.00 -1.11 0.00 0.00 56.01 55.65 1ibk n LEU 16 Cb 0.10 -0.31 0.72 0.00 0.53 0.00 0.00 43.42 44.46 1ibk n LEU 16 CO 0.10 -0.31 1.26 1.05 -1.11 0.00 0.00 177.39 178.39 1ibk h GLU 17 N 0.00 0.00 0.00 1.96 4.11 -0.36 1.46 114.58 121.75 1ibk h GLU 17 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ibk h GLU 17 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ibk h GLU 17 CO 0.00 0.00 -0.05 -0.22 0.07 0.00 0.00 179.01 178.81 1ibk h LYS 18 N 0.00 0.00 0.00 1.06 3.64 -1.14 -3.10 116.57 117.02 1ibk h LYS 18 Ca 0.42 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.54 1ibk h LYS 18 Cb 1.81 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.59 1ibk h LYS 18 CO -0.00 0.00 -1.52 1.55 -2.27 0.00 0.00 179.45 177.21 1ibk n VAL 19 N -3.00 1.52 0.18 2.00 3.14 0.48 -3.92 118.33 118.73 1ibk n VAL 19 Ca 0.04 -0.09 0.02 0.00 -2.96 0.00 0.00 64.34 61.35 1ibk n VAL 19 Cb 0.52 -2.04 0.10 0.00 -1.06 0.00 0.00 33.84 31.36 1ibk n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ibk n LEU 20 N -4.40 0.00 0.07 6.55 -0.00 -0.20 0.45 117.00 119.46 1ibk n LEU 20 Ca -0.35 0.43 -0.13 0.00 -0.00 0.00 0.00 56.01 55.95 1ibk n LEU 20 Cb 0.69 -0.43 -0.04 0.00 -0.00 0.00 0.00 43.42 43.64 1ibk n LEU 20 CO 0.14 -0.36 0.19 -0.08 -0.00 0.00 0.00 177.39 177.28 1ibk h GLU 21 N 0.00 0.41 0.00 1.47 4.81 -1.67 -2.21 114.58 117.40 1ibk h GLU 21 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1ibk h GLU 21 Cb 0.07 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ibk h GLU 21 CO 0.00 1.10 -0.05 1.28 -0.73 0.00 0.00 179.01 180.61 1ibk n LEU 22 N -3.75 0.49 -3.03 1.64 4.77 0.17 -3.87 117.00 113.42 1ibk n LEU 22 Ca -0.07 0.51 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 1ibk n LEU 22 Cb 0.83 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1ibk n LEU 22 CO 0.51 -0.09 2.97 0.59 -1.33 0.00 0.00 177.39 180.03 1ibk n ASN 23 N -1.94 7.98 0.00 -1.43 4.13 -0.69 -2.04 115.26 121.27 1ibk n ASN 23 Ca 0.06 -2.59 0.00 0.00 1.68 0.00 0.00 54.58 53.73 1ibk n ASN 23 Cb 0.39 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.12 1ibk n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ibk n ALA 24 N 3.22 0.00 1.20 5.41 0.00 -1.25 -4.88 120.51 124.21 1ibk n ALA 24 Ca 0.70 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.27 1ibk n ALA 24 Cb 0.38 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.11 1ibk n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ibk n LYS 25 N -1.39 1.09 0.00 0.00 4.01 -1.11 -5.03 118.16 115.73 1ibk n LYS 25 Ca 0.00 -0.74 0.00 0.00 -0.51 0.00 0.00 58.31 57.06 1ibk n LYS 25 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1ibk n LYS 25 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ibk n GLY 26 N 1.34 1.01 2.54 0.72 0.00 -0.87 -4.90 105.19 105.03 1ibk n GLY 26 Ca 0.12 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 1ibk n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ibk s GLU 27 N 0.00 0.71 0.84 1.61 0.41 -1.25 -4.13 118.70 116.90 1ibk s GLU 27 Ca 0.00 -1.43 -0.15 0.00 -0.41 0.00 0.00 54.97 52.98 1ibk s GLU 27 Cb 0.00 -1.10 -0.05 0.00 -1.78 0.00 0.00 34.13 31.19 1ibk s GLU 27 CO 0.00 -1.27 0.10 1.17 -0.49 0.00 0.00 175.26 174.77 1ibk n LYS 28 N 3.67 0.01 -3.58 1.61 4.81 -1.26 -4.93 118.16 118.48 1ibk n LYS 28 Ca 0.18 0.03 -0.38 0.00 -0.87 0.00 0.00 58.31 57.27 1ibk n LYS 28 Cb 0.44 -1.56 -0.11 0.00 0.02 0.00 0.00 35.03 33.82 1ibk n LYS 28 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ibk s ARG 29 N -2.69 3.96 0.20 1.64 0.52 -1.26 -4.71 118.95 116.61 1ibk s ARG 29 Ca 0.56 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1ibk s ARG 29 Cb -0.28 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.53 1ibk s ARG 29 CO 0.68 -0.18 0.00 1.28 0.02 0.00 0.00 175.30 177.10 1ibk n LEU 30 N 5.07 -2.85 -3.40 2.53 4.77 -1.26 -5.04 117.00 116.82 1ibk n LEU 30 Ca -0.14 1.43 -0.19 0.00 -0.03 0.00 0.00 56.01 57.09 1ibk n LEU 30 Cb 0.52 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.67 1ibk n LEU 30 CO 0.33 -0.05 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.52 1ibk s ILE 31 N -2.02 -0.32 -0.07 -0.08 -1.09 -0.88 -4.97 121.20 111.77 1ibk s ILE 31 Ca 0.00 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 1ibk s ILE 31 Cb 0.00 -0.91 -0.03 0.00 -1.58 0.00 0.00 42.46 39.94 1ibk s ILE 31 CO 0.00 -0.55 1.21 -1.59 -1.23 0.00 0.00 174.94 172.78 1ibk s LYS 32 N 2.02 4.33 0.02 2.79 -2.85 -1.26 0.15 119.74 124.94 1ibk s LYS 32 Ca 0.12 1.68 -0.01 0.00 -1.00 0.00 0.00 55.97 56.75 1ibk s LYS 32 Cb -0.15 -3.59 -0.02 0.00 -2.06 0.00 0.00 37.83 32.02 1ibk s LYS 32 CO -0.23 -0.49 -0.00 0.99 0.10 0.00 0.00 175.35 175.72 1ibk s THR 33 N 2.39 0.11 -1.65 3.79 2.01 0.61 -4.89 115.64 118.02 1ibk s THR 33 Ca 0.56 -0.95 0.21 0.00 0.31 0.00 0.00 61.69 61.82 1ibk s THR 33 Cb -0.24 -0.39 0.68 0.00 0.01 0.00 0.00 72.50 72.56 1ibk s THR 33 CO 0.21 -0.52 1.58 0.79 -0.69 0.00 0.00 174.62 175.99 1ibk n TRP 34 N 1.45 1.19 -3.28 4.92 5.03 -1.26 -3.04 117.44 122.45 1ibk n TRP 34 Ca -0.23 -0.54 -0.45 0.00 3.03 0.00 0.00 57.50 59.30 1ibk n TRP 34 Cb 0.56 -0.10 -0.01 0.00 -1.03 0.00 0.00 31.31 30.73 1ibk n TRP 34 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1ibk s SER 35 N -0.96 7.16 0.13 -0.99 0.15 -1.26 -4.69 113.70 113.24 1ibk s SER 35 Ca 0.50 -3.30 0.15 0.00 0.70 0.00 0.00 55.95 54.01 1ibk s SER 35 Cb 0.29 -2.24 -0.08 0.00 -1.71 0.00 0.00 66.02 62.27 1ibk s SER 35 CO 0.30 -0.42 1.03 0.08 1.20 0.00 0.00 173.24 175.43 1ibk h ARG 36 N 7.01 0.00 0.00 5.44 0.11 -1.88 -3.26 114.38 121.81 1ibk h ARG 36 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1ibk h ARG 36 Cb 0.91 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.99 1ibk h ARG 36 CO 0.99 0.40 0.11 0.00 0.10 0.00 0.00 179.97 181.58 1ibk h ARG 37 N 0.00 0.00 -6.29 0.08 2.47 -1.83 -3.32 114.38 105.48 1ibk h ARG 37 Ca -0.11 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.05 1ibk h ARG 37 Cb 1.55 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.83 1ibk h ARG 37 CO 0.06 0.00 -0.04 -1.54 0.56 0.00 0.00 179.97 179.00 1ibk s SER 38 N -4.18 6.97 0.40 7.04 1.04 -1.23 -4.88 113.70 118.86 1ibk s SER 38 Ca -0.03 1.20 -0.23 0.00 0.48 0.00 0.00 55.95 57.37 1ibk s SER 38 Cb 0.07 -2.33 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 1ibk s SER 38 CO 0.23 0.19 0.97 -0.89 0.98 0.00 0.00 173.24 174.72 1ibk s THR 39 N -1.29 4.17 0.26 2.02 2.01 0.17 -3.60 115.64 119.39 1ibk s THR 39 Ca 0.34 1.52 -0.26 0.00 0.31 0.00 0.00 61.69 63.59 1ibk s THR 39 Cb -0.17 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1ibk s THR 39 CO 0.19 -0.12 0.89 -0.63 -0.69 0.00 0.00 174.62 174.26 1ibk s ILE 40 N -1.91 4.23 0.13 1.82 1.01 -0.10 -4.71 121.20 121.66 1ibk s ILE 40 Ca 0.58 1.83 0.06 0.00 0.00 0.00 0.00 60.65 63.13 1ibk s ILE 40 Cb -0.15 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1ibk s ILE 40 CO 0.19 0.32 -0.14 0.68 0.00 0.00 0.00 174.94 175.99 1ibk s VAL 41 N -1.40 1.38 0.19 2.92 -7.23 -1.26 -4.16 120.40 110.84 1ibk s VAL 41 Ca 0.44 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.79 1ibk s VAL 41 Cb -0.21 -1.58 0.29 0.00 0.56 0.00 0.00 36.38 35.44 1ibk s VAL 41 CO 0.26 -0.42 1.07 -2.65 -0.31 0.00 0.00 175.10 173.06 1ibk n PRO 42 N 0.47 -0.08 -0.15 4.82 -0.02 -1.26 0.11 135.00 138.90 1ibk n PRO 42 Ca -0.15 1.07 -0.04 0.00 -2.02 0.00 0.00 63.50 62.36 1ibk n PRO 42 Cb 0.57 -1.60 0.05 0.00 -0.02 0.00 0.00 33.50 32.50 1ibk n PRO 42 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1ibk h GLU 43 N 0.00 0.41 -0.66 -0.52 9.09 -2.03 -2.20 114.58 118.68 1ibk h GLU 43 Ca 0.32 -0.02 0.16 0.00 0.05 0.00 0.00 59.36 59.86 1ibk h GLU 43 Cb 0.49 -0.09 -0.04 0.00 -1.65 0.00 0.00 28.75 27.46 1ibk h GLU 43 CO -0.70 0.27 0.45 0.52 0.05 0.00 0.00 179.01 179.60 1ibk h MET 44 N 0.42 0.20 -6.17 1.06 2.86 -0.74 -3.44 114.93 109.13 1ibk h MET 44 Ca 0.21 -0.01 -0.63 0.00 -2.06 0.00 0.00 59.70 57.21 1ibk h MET 44 Cb 0.16 -0.05 0.13 0.00 0.06 0.00 0.00 31.60 31.90 1ibk h MET 44 CO -0.18 0.13 -0.47 0.28 1.06 0.00 0.00 176.91 177.73 1ibk n VAL 45 N -4.42 1.66 0.00 -2.22 0.31 -0.83 -0.62 118.33 112.21 1ibk n VAL 45 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1ibk n VAL 45 Cb 0.58 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1ibk n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibk n GLY 46 N 1.88 2.76 0.00 2.92 0.00 -0.10 -4.99 105.19 107.67 1ibk n GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ibk n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibk n HIS 47 N -0.66 -1.33 -2.93 1.61 -0.00 0.21 -4.82 115.22 107.30 1ibk n HIS 47 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 1ibk n HIS 47 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 1ibk n HIS 47 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1ibk n THR 48 N -1.06 -0.18 -2.15 1.59 -1.04 -1.26 -3.30 114.28 106.88 1ibk n THR 48 Ca 0.00 -2.68 -0.42 0.00 -2.04 0.00 0.00 64.05 58.91 1ibk n THR 48 Cb 0.00 0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 1ibk n THR 48 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ibk s ILE 49 N -0.48 3.27 -0.13 12.58 1.09 -1.16 -2.08 121.20 134.28 1ibk s ILE 49 Ca 0.31 0.90 -0.07 0.00 -1.10 0.00 0.00 60.65 60.70 1ibk s ILE 49 Cb 0.26 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 38.04 1ibk s ILE 49 CO -0.13 0.07 0.11 0.00 -0.10 0.00 0.00 174.94 174.89 1ibk s ALA 50 N 1.19 3.70 0.07 9.38 0.00 0.40 -2.23 121.76 134.27 1ibk s ALA 50 Ca 0.65 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1ibk s ALA 50 Cb -0.37 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1ibk s ALA 50 CO 0.30 0.50 -0.11 0.08 0.00 0.00 0.00 175.76 176.54 1ibk s VAL 51 N -0.65 3.33 -0.03 0.00 1.01 0.16 -0.28 120.40 123.93 1ibk s VAL 51 Ca 0.12 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1ibk s VAL 51 Cb -0.12 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1ibk s VAL 51 CO 0.02 0.22 0.75 -0.47 0.00 0.00 0.00 175.10 175.62 1ibk s TYR 52 N -1.11 3.63 0.10 5.22 5.04 -1.17 0.99 117.35 130.04 1ibk s TYR 52 Ca 0.19 1.36 0.09 0.00 -2.44 0.00 0.00 57.07 56.28 1ibk s TYR 52 Cb -0.11 -2.85 -0.05 0.00 0.35 0.00 0.00 41.96 39.30 1ibk s TYR 52 CO 0.11 0.12 1.37 -0.91 -1.34 0.00 0.00 175.55 174.90 1ibk h ASN 53 N 6.49 0.00 0.00 4.32 -0.26 -1.37 -3.45 115.58 121.31 1ibk h ASN 53 Ca -0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 1ibk h ASN 53 Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1ibk h ASN 53 CO 0.74 0.84 0.00 0.61 -1.06 0.00 0.00 177.43 178.56 1ibk n GLY 54 N 1.13 0.13 1.85 2.83 0.00 -1.26 -4.76 105.19 105.12 1ibk n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ibk n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibk n LYS 55 N 0.00 0.00 -2.84 1.61 4.81 -1.26 -5.15 118.16 115.33 1ibk n LYS 55 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1ibk n LYS 55 Cb 0.00 -0.08 -0.02 0.00 0.02 0.00 0.00 35.03 34.95 1ibk n LYS 55 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1ibk n GLN 56 N -3.47 1.61 -3.92 1.64 1.13 -1.26 -5.10 117.38 108.00 1ibk n GLN 56 Ca 0.00 -1.16 -0.34 0.00 -1.94 0.00 0.00 57.00 53.56 1ibk n GLN 56 Cb 0.00 0.31 -0.14 0.00 0.11 0.00 0.00 30.24 30.53 1ibk n GLN 56 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1ibk s HIS 57 N -1.58 3.51 -0.35 1.08 3.76 -1.26 -0.97 115.29 119.47 1ibk s HIS 57 Ca 0.00 -2.42 -0.29 0.00 -0.15 0.00 0.00 55.06 52.20 1ibk s HIS 57 Cb 0.00 -2.67 0.02 0.00 1.11 0.00 0.00 32.58 31.04 1ibk s HIS 57 CO 0.00 -0.91 1.08 0.14 -0.85 0.00 0.00 174.74 174.21 1ibk s VAL 58 N 1.10 4.45 0.08 -0.90 -7.23 0.28 -4.77 120.40 113.41 1ibk s VAL 58 Ca 0.03 1.63 -0.31 0.00 -1.81 0.00 0.00 61.98 61.52 1ibk s VAL 58 Cb -0.21 -4.45 -0.06 0.00 0.56 0.00 0.00 36.38 32.22 1ibk s VAL 58 CO -0.04 -0.58 1.23 -2.16 -0.31 0.00 0.00 175.10 173.23 1ibk s PRO 59 N 3.80 4.42 -0.10 4.82 0.04 -1.26 -0.67 135.00 146.05 1ibk s PRO 59 Ca 0.46 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1ibk s PRO 59 Cb -0.11 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1ibk s PRO 59 CO 0.19 -0.27 -0.18 0.08 0.04 0.00 0.00 177.00 176.86 1ibk s VAL 60 N 0.99 1.65 -0.59 -0.36 1.01 -0.95 -4.96 120.40 117.19 1ibk s VAL 60 Ca 0.59 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1ibk s VAL 60 Cb -0.31 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 34.68 1ibk s VAL 60 CO 0.30 0.47 0.75 -0.47 0.00 0.00 0.00 175.10 176.15 1ibk s TYR 61 N 0.77 2.94 0.18 5.22 6.04 -1.26 -2.99 117.35 128.24 1ibk s TYR 61 Ca -0.11 -0.77 -0.30 0.00 0.04 0.00 0.00 57.07 55.93 1ibk s TYR 61 Cb -0.16 -3.98 -0.08 0.00 -1.04 0.00 0.00 41.96 36.70 1ibk s TYR 61 CO 0.02 -1.32 1.25 -1.50 -1.54 0.00 0.00 175.55 172.46 1ibk s ILE 62 N 2.99 3.42 0.14 3.14 1.10 -1.21 -4.97 121.20 125.81 1ibk s ILE 62 Ca 0.15 1.17 0.08 0.00 -0.51 0.00 0.00 60.65 61.53 1ibk s ILE 62 Cb -0.21 -3.75 -0.04 0.00 0.15 0.00 0.00 42.46 38.61 1ibk s ILE 62 CO 0.08 0.18 -0.17 -0.89 -2.11 0.00 0.00 174.94 172.03 1ibk s THR 63 N 0.09 1.65 0.16 4.00 2.01 -1.26 -0.92 115.64 121.37 1ibk s THR 63 Ca 0.55 -1.81 -0.22 0.00 0.31 0.00 0.00 61.69 60.51 1ibk s THR 63 Cb -0.34 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.52 1ibk s THR 63 CO 0.37 -0.32 1.60 -0.08 -0.69 0.00 0.00 174.62 175.50 1ibk h GLU 64 N 3.43 -0.23 -1.35 4.92 4.57 -1.96 -0.85 114.58 123.10 1ibk h GLU 64 Ca -0.42 0.02 0.39 0.00 -1.18 0.00 0.00 59.36 58.17 1ibk h GLU 64 Cb 1.20 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 1ibk h GLU 64 CO 0.50 -0.16 0.95 -2.95 -1.18 0.00 0.00 179.01 176.18 1ibk h ASN 65 N -0.24 0.08 -1.93 1.04 7.08 -2.03 -2.01 115.58 117.57 1ibk h ASN 65 Ca 0.17 0.02 -0.72 0.00 -3.08 0.00 0.00 56.30 52.70 1ibk h ASN 65 Cb 0.53 0.01 -0.32 0.00 -2.08 0.00 0.00 38.32 36.46 1ibk h ASN 65 CO -0.52 -0.01 0.53 1.15 -2.08 0.00 0.00 177.43 176.49 1ibk n MET 66 N -4.23 3.30 0.00 4.14 0.00 -0.33 -4.85 117.12 115.14 1ibk n MET 66 Ca 0.31 -3.99 0.00 0.00 0.00 0.00 0.00 57.70 54.02 1ibk n MET 66 Cb 1.39 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 32.32 1ibk n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ibk n VAL 67 N -0.45 0.00 -0.09 3.17 0.31 -0.76 -4.27 118.33 116.25 1ibk n VAL 67 Ca 0.48 0.03 0.18 0.00 -0.01 0.00 0.00 64.34 65.02 1ibk n VAL 67 Cb 0.35 -0.09 0.27 0.00 -0.91 0.00 0.00 33.84 33.46 1ibk n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ibk n GLY 68 N 2.47 -0.56 3.29 2.92 0.00 -1.26 -3.49 105.19 108.56 1ibk n GLY 68 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1ibk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ibk s HIS 69 N -3.82 -0.50 -0.55 1.61 4.02 -1.26 -4.56 115.29 110.24 1ibk s HIS 69 Ca -0.02 0.67 0.07 0.00 1.02 0.00 0.00 55.06 56.81 1ibk s HIS 69 Cb 0.09 -2.85 0.28 0.00 -1.02 0.00 0.00 32.58 29.08 1ibk s HIS 69 CO 0.30 -5.00 0.76 1.63 1.02 0.00 0.00 174.74 173.44 1ibk n LYS 70 N -5.67 2.22 0.00 1.40 5.02 -1.26 -0.93 118.16 118.94 1ibk n LYS 70 Ca 0.11 -4.32 0.00 0.00 -2.02 0.00 0.00 58.31 52.08 1ibk n LYS 70 Cb 0.59 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1ibk n LYS 70 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ibk n LEU 71 N 0.60 0.00 -0.04 -0.35 4.77 -1.24 -3.04 117.00 117.71 1ibk n LEU 71 Ca 0.28 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.47 1ibk n LEU 71 Cb 0.45 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.93 1ibk n LEU 71 CO 0.33 0.00 1.19 1.23 -1.33 0.00 0.00 177.39 178.81 1ibk h GLY 72 N 0.00 0.00 1.71 -0.72 0.00 -1.85 1.90 103.07 104.11 1ibk h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ibk h GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1ibk n GLU 73 N -3.11 0.10 -0.00 4.80 1.02 -1.17 -0.53 120.64 121.74 1ibk n GLU 73 Ca 0.15 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 1ibk n GLU 73 Cb 1.28 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 31.21 1ibk n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ibk n PHE 74 N -1.35 0.01 -3.65 -0.32 3.01 0.64 -4.79 117.46 111.01 1ibk n PHE 74 Ca 0.04 -0.04 -0.36 0.00 1.01 0.00 0.00 57.45 58.11 1ibk n PHE 74 Cb 0.09 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 1ibk n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ibk s ALA 75 N -0.37 4.24 -0.02 4.37 0.00 0.31 -5.00 121.76 125.28 1ibk s ALA 75 Ca 0.05 -3.85 -0.36 0.00 0.00 0.00 0.00 51.96 47.79 1ibk s ALA 75 Cb 0.03 -2.79 -0.15 0.00 0.00 0.00 0.00 23.12 20.21 1ibk s ALA 75 CO 0.05 -2.14 1.59 -0.35 0.00 0.00 0.00 175.76 174.91 1ibk n PRO 76 N 2.28 1.56 0.01 0.00 -0.04 -1.26 -4.83 135.00 132.72 1ibk n PRO 76 Ca 0.22 0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 64.14 1ibk n PRO 76 Cb 0.37 -2.28 -0.14 0.00 -0.04 0.00 0.00 33.50 31.41 1ibk n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ibk h THR 77 N 4.25 1.01 -2.24 0.52 1.03 -1.89 -3.45 112.91 112.13 1ibk h THR 77 Ca -0.47 -2.81 -0.55 0.00 -0.01 0.00 0.00 66.41 62.57 1ibk h THR 77 Cb 1.30 2.54 -0.09 0.00 -1.07 0.00 0.00 68.15 70.84 1ibk h THR 77 CO 0.88 0.65 -0.63 -0.13 -0.01 0.00 0.00 175.52 176.28 1ibk s ARG 78 N -2.62 2.41 -0.16 0.00 0.52 -1.26 -4.94 118.95 112.91 1ibk s ARG 78 Ca -0.06 -1.34 -0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1ibk s ARG 78 Cb 0.08 -2.24 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1ibk s ARG 78 CO 0.82 0.38 -0.13 0.99 0.02 0.00 0.00 175.30 177.38 1ibk s THR 79 N -2.26 2.86 0.04 0.02 2.01 -1.26 -5.12 115.64 111.93 1ibk s THR 79 Ca 0.31 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1ibk s THR 79 Cb -0.07 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1ibk s THR 79 CO 0.21 0.51 0.00 -0.47 -0.69 0.00 0.00 174.62 174.17 1ibk s TYR 80 N 0.78 0.38 0.00 4.92 5.04 -1.26 -5.32 117.35 121.89 1ibk s TYR 80 Ca -0.05 -0.80 0.00 0.00 -2.44 0.00 0.00 57.07 53.78 1ibk s TYR 80 Cb -0.15 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.88 1ibk s TYR 80 CO 0.01 -0.33 0.00 -2.13 -1.34 0.00 0.00 175.55 171.76