#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k52 s ASP 2 N 0.00 4.05 -0.07 6.12 2.15 -1.26 -4.97 116.67 122.70 2k52 s ASP 2 Ca 0.00 -0.38 -0.14 0.00 0.43 0.00 0.00 52.55 52.46 2k52 s ASP 2 Cb 0.00 -0.73 -0.05 0.00 -0.30 0.00 0.00 42.92 41.84 2k52 s ASP 2 CO 0.00 0.24 0.37 -0.69 -0.17 0.00 0.00 175.17 174.92 2k52 s VAL 3 N -1.00 5.16 0.10 1.11 1.01 -1.26 -5.09 120.40 120.43 2k52 s VAL 3 Ca 0.16 0.74 0.10 0.00 0.00 0.00 0.00 61.98 62.98 2k52 s VAL 3 Cb -0.11 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2k52 s VAL 3 CO 0.07 0.49 -0.24 -1.61 0.00 0.00 0.00 175.10 173.82 2k52 s GLU 4 N -0.40 1.65 -0.05 2.72 2.02 -1.26 -4.99 118.70 118.39 2k52 s GLU 4 Ca 0.22 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 2k52 s GLU 4 Cb -0.15 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 2k52 s GLU 4 CO 0.10 0.48 1.55 -1.25 0.02 0.00 0.00 175.26 176.15 2k52 s PRO 5 N -1.85 4.21 0.00 0.39 0.04 -1.26 -3.06 135.00 133.47 2k52 s PRO 5 Ca 0.15 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2k52 s PRO 5 Cb -0.10 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2k52 s PRO 5 CO 0.06 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2k52 n GLY 6 N 3.94 0.81 3.84 0.56 0.00 0.10 -4.96 105.19 109.48 2k52 n GLY 6 Ca 0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2k52 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k52 s LYS 7 N -0.65 2.80 -0.26 1.61 -0.14 -1.17 -4.80 119.74 117.13 2k52 s LYS 7 Ca 0.00 -1.20 -0.16 0.00 -1.36 0.00 0.00 55.97 53.25 2k52 s LYS 7 Cb 0.00 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 2k52 s LYS 7 CO 0.00 0.20 0.41 -0.06 -0.76 0.00 0.00 175.35 175.14 2k52 s PHE 8 N -2.24 3.26 -0.05 3.18 0.40 -1.26 -0.30 117.98 120.96 2k52 s PHE 8 Ca 0.38 0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 57.17 2k52 s PHE 8 Cb -0.07 -2.60 0.03 0.00 0.51 0.00 0.00 43.02 40.89 2k52 s PHE 8 CO 0.26 -0.22 0.12 0.71 0.70 0.00 0.00 175.22 176.79 2k52 s TYR 9 N 2.06 -0.13 0.16 0.36 2.02 -0.09 -4.99 117.35 116.73 2k52 s TYR 9 Ca 0.17 0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 57.10 2k52 s TYR 9 Cb -0.16 -0.07 -0.07 0.00 -0.40 0.00 0.00 41.96 41.26 2k52 s TYR 9 CO 0.09 -0.13 0.58 0.21 -1.57 0.00 0.00 175.55 174.74 2k52 s LYS 10 N 0.85 4.02 0.35 -0.62 2.20 -1.26 -1.72 119.74 123.56 2k52 s LYS 10 Ca -0.07 0.55 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 2k52 s LYS 10 Cb -0.09 -2.91 0.01 0.00 -1.51 0.00 0.00 37.83 33.33 2k52 s LYS 10 CO -0.04 0.46 0.54 0.20 -0.36 0.00 0.00 175.35 176.15 2k52 s GLY 11 N -1.72 1.26 -0.04 5.54 0.00 -0.78 -4.71 107.32 106.87 2k52 s GLY 11 Ca 0.39 -1.36 0.07 0.00 0.00 0.00 0.00 44.72 43.81 2k52 s GLY 11 CO 0.19 -0.86 -0.24 0.54 0.00 0.00 0.00 173.10 172.74 2k52 s VAL 12 N -2.92 2.21 0.04 1.40 0.11 -1.13 -1.12 120.40 118.99 2k52 s VAL 12 Ca 0.27 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.99 2k52 s VAL 12 Cb -0.01 -1.79 -0.05 0.00 -1.53 0.00 0.00 36.38 32.99 2k52 s VAL 12 CO 0.18 0.58 1.21 -0.69 -3.33 0.00 0.00 175.10 173.05 2k52 s VAL 13 N -0.47 4.05 -0.19 2.04 1.01 -0.58 -1.90 120.40 124.37 2k52 s VAL 13 Ca 0.06 1.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 2k52 s VAL 13 Cb -0.11 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 2k52 s VAL 13 CO 0.01 0.10 -0.12 0.35 0.00 0.00 0.00 175.10 175.43 2k52 n THR 14 N 4.04 1.48 -3.88 3.92 -2.24 0.14 -1.60 114.28 116.14 2k52 n THR 14 Ca 0.09 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.82 2k52 n THR 14 Cb 0.46 -2.21 -0.09 0.00 -2.10 0.00 0.00 70.33 66.40 2k52 n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k52 s ARG 15 N -2.44 0.67 -0.25 -0.78 1.70 -1.25 -4.72 118.95 111.87 2k52 s ARG 15 Ca -0.25 -0.73 -0.13 0.00 -0.47 0.00 0.00 55.73 54.15 2k52 s ARG 15 Cb 0.05 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2k52 s ARG 15 CO 0.41 -0.19 0.29 0.42 -1.08 0.00 0.00 175.30 175.15 2k52 s ILE 16 N -2.77 5.25 0.23 4.99 -1.09 -1.26 -2.57 121.20 123.98 2k52 s ILE 16 Ca -0.03 0.42 0.06 0.00 -2.23 0.00 0.00 60.65 58.87 2k52 s ILE 16 Cb -0.00 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 2k52 s ILE 16 CO -0.05 0.23 0.24 -1.61 -1.23 0.00 0.00 174.94 172.52 2k52 s GLU 17 N 1.67 3.09 0.00 2.79 0.41 0.14 -5.00 118.70 121.80 2k52 s GLU 17 Ca 0.12 -0.92 0.03 0.00 -0.41 0.00 0.00 54.97 53.79 2k52 s GLU 17 Cb -0.15 -2.69 0.11 0.00 -1.78 0.00 0.00 34.13 29.62 2k52 s GLU 17 CO 0.09 0.43 1.08 1.63 -0.49 0.00 0.00 175.26 178.00 2k52 n LYS 18 N -1.08 1.12 -0.14 1.61 5.02 -1.26 -2.83 118.16 120.60 2k52 n LYS 18 Ca -0.08 -0.19 0.01 0.00 -2.02 0.00 0.00 58.31 56.03 2k52 n LYS 18 Cb 0.57 -1.06 0.01 0.00 -0.02 0.00 0.00 35.03 34.53 2k52 n LYS 18 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2k52 n TYR 19 N -0.36 0.00 -1.33 2.13 4.11 -1.26 -5.12 117.16 115.32 2k52 n TYR 19 Ca 0.03 -0.18 0.00 0.00 -0.00 0.00 0.00 57.90 57.74 2k52 n TYR 19 Cb 0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.35 2k52 n TYR 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k52 n GLY 20 N -0.23 0.40 2.88 -7.48 0.00 -1.13 -4.70 105.19 94.94 2k52 n GLY 20 Ca 0.02 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 2k52 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k52 s ALA 21 N -1.00 -0.11 0.08 4.61 0.00 0.10 0.26 121.76 125.70 2k52 s ALA 21 Ca 0.00 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 2k52 s ALA 21 Cb 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2k52 s ALA 21 CO 0.00 -0.10 1.08 -0.06 0.00 0.00 0.00 175.76 176.68 2k52 s PHE 22 N 0.74 3.60 -0.06 0.00 0.08 -1.06 -0.40 117.98 120.87 2k52 s PHE 22 Ca -0.06 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.58 2k52 s PHE 22 Cb -0.08 -3.25 0.01 0.00 -0.57 0.00 0.00 43.02 39.14 2k52 s PHE 22 CO -0.03 -0.53 -0.12 0.42 -0.10 0.00 0.00 175.22 174.86 2k52 s ILE 23 N 0.55 1.11 -0.33 0.64 1.01 -0.66 -0.69 121.20 122.84 2k52 s ILE 23 Ca 0.53 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 2k52 s ILE 23 Cb -0.26 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 2k52 s ILE 23 CO 0.30 0.35 0.43 0.20 0.00 0.00 0.00 174.94 176.22 2k52 s ASN 24 N 0.66 6.26 0.20 3.58 0.01 -0.80 -1.01 114.94 123.84 2k52 s ASN 24 Ca -0.14 -0.01 0.18 0.00 -0.71 0.00 0.00 52.86 52.18 2k52 s ASN 24 Cb -0.16 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.28 2k52 s ASN 24 CO 0.04 -0.36 1.15 -0.07 -1.51 0.00 0.00 177.10 176.34 2k52 h LEU 25 N 8.86 0.00 -7.78 0.60 3.38 -1.17 -2.99 115.31 116.21 2k52 h LEU 25 Ca -0.29 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.76 2k52 h LEU 25 Cb 1.14 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 2k52 h LEU 25 CO 0.72 0.36 0.29 0.21 0.09 0.00 0.00 178.44 180.11 2k52 s ASN 26 N -5.94 -0.28 0.30 -0.43 2.47 -1.09 -4.95 114.94 105.02 2k52 s ASN 26 Ca 0.01 -0.48 0.05 0.00 0.42 0.00 0.00 52.86 52.87 2k52 s ASN 26 Cb 0.08 0.65 0.75 0.00 -1.45 0.00 0.00 41.25 41.28 2k52 s ASN 26 CO 0.77 -1.19 1.74 -0.08 -3.72 0.00 0.00 177.10 174.63 2k52 h GLU 27 N 2.00 0.60 -0.24 0.43 4.81 -2.01 -0.77 114.58 119.40 2k52 h GLU 27 Ca -0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2k52 h GLU 27 Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2k52 h GLU 27 CO 0.25 0.39 0.00 1.04 -0.73 0.00 0.00 179.01 179.97 2k52 n GLN 28 N -4.88 2.78 -3.88 1.92 1.13 -1.26 -4.93 117.38 108.26 2k52 n GLN 28 Ca 0.23 -2.23 -0.35 0.00 -1.94 0.00 0.00 57.00 52.71 2k52 n GLN 28 Cb 0.62 -1.41 -0.13 0.00 0.11 0.00 0.00 30.24 29.43 2k52 n GLN 28 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2k52 s VAL 29 N -1.67 3.02 -0.05 5.09 1.01 -0.30 -5.09 120.40 122.43 2k52 s VAL 29 Ca 0.26 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.61 2k52 s VAL 29 Cb 0.18 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2k52 s VAL 29 CO 0.10 -0.31 -0.11 -0.60 0.00 0.00 0.00 175.10 174.18 2k52 s ARG 30 N 1.19 1.33 0.00 2.72 3.52 -1.26 -0.65 118.95 125.80 2k52 s ARG 30 Ca -0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2k52 s ARG 30 Cb -0.21 -1.17 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 2k52 s ARG 30 CO -0.02 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2k52 n GLY 31 N 3.59 4.56 2.92 8.12 0.00 -0.18 -4.77 105.19 119.42 2k52 n GLY 31 Ca -0.21 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 2k52 n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k52 s LEU 32 N 0.00 1.24 -0.12 0.99 2.96 0.45 -1.66 118.68 122.54 2k52 s LEU 32 Ca 0.00 -0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 53.50 2k52 s LEU 32 Cb 0.00 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 2k52 s LEU 32 CO 0.00 -0.08 0.38 -0.22 -1.32 0.00 0.00 176.35 175.11 2k52 s LEU 33 N 1.40 4.29 -0.13 -0.68 2.96 0.46 -0.39 118.68 126.59 2k52 s LEU 33 Ca -0.02 0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 54.52 2k52 s LEU 33 Cb -0.13 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2k52 s LEU 33 CO -0.04 0.09 0.12 -0.13 -1.32 0.00 0.00 176.35 175.08 2k52 s ARG 34 N 0.31 3.50 0.16 1.98 0.52 -1.18 -0.72 118.95 123.52 2k52 s ARG 34 Ca 0.21 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 2k52 s ARG 34 Cb -0.14 -3.18 0.04 0.00 0.52 0.00 0.00 34.95 32.18 2k52 s ARG 34 CO 0.08 0.70 1.76 -1.00 0.02 0.00 0.00 175.30 176.87 2k52 h PRO 35 N 5.24 0.68 0.00 3.54 0.13 -1.93 -2.65 132.00 137.01 2k52 h PRO 35 Ca -0.53 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2k52 h PRO 35 Cb 1.22 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2k52 h PRO 35 CO 0.60 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 178.90 2k52 h ARG 36 N 0.64 0.00 -0.31 0.86 3.08 -1.98 -1.09 114.38 115.59 2k52 h ARG 36 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2k52 h ARG 36 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2k52 h ARG 36 CO -0.03 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.62 2k52 n ASP 37 N -2.31 2.47 -4.52 7.04 8.00 -1.00 -4.83 116.55 121.40 2k52 n ASP 37 Ca 0.02 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.23 2k52 n ASP 37 Cb 0.24 -0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 41.05 2k52 n ASP 37 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2k52 s MET 38 N -1.60 3.37 -0.03 -1.24 -1.94 -0.41 -0.57 119.30 116.88 2k52 s MET 38 Ca 0.34 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.56 2k52 s MET 38 Cb 0.19 -3.87 -0.11 0.00 2.01 0.00 0.00 34.83 33.05 2k52 s MET 38 CO 0.27 -0.63 0.78 0.82 -0.01 0.00 0.00 175.02 176.25 2k52 h ILE 39 N 5.60 0.22 0.00 2.53 1.08 -1.86 -3.43 117.51 121.64 2k52 h ILE 39 Ca -0.29 -0.67 -0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2k52 h ILE 39 Cb 1.13 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2k52 h ILE 39 CO 0.72 0.05 -0.94 -1.54 -0.69 0.00 0.00 178.15 175.75 2k52 n SER 40 N -5.13 1.92 -4.64 1.72 3.41 -1.26 -4.93 113.62 104.70 2k52 n SER 40 Ca -0.08 0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 58.48 2k52 n SER 40 Cb 0.25 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k52 s LEU 41 N -7.95 3.98 0.20 1.04 1.43 -1.26 -5.04 118.68 111.07 2k52 s LEU 41 Ca -0.27 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 2k52 s LEU 41 Cb 0.04 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2k52 s LEU 41 CO 0.40 -0.85 0.35 -0.13 0.23 0.00 0.00 176.35 176.36 2k52 s ARG 42 N 3.60 3.47 0.41 1.70 1.81 -1.26 -4.74 118.95 123.93 2k52 s ARG 42 Ca 0.47 -0.55 0.16 0.00 -1.72 0.00 0.00 55.73 54.09 2k52 s ARG 42 Cb -0.14 -2.89 1.03 0.00 -0.45 0.00 0.00 34.95 32.50 2k52 s ARG 42 CO 0.14 0.43 1.86 -0.07 -0.68 0.00 0.00 175.30 176.98 2k52 h LEU 43 N 1.75 0.46 -2.78 2.53 3.38 -1.95 0.21 115.31 118.91 2k52 h LEU 43 Ca -0.49 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k52 h LEU 43 Cb 1.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2k52 h LEU 43 CO 0.66 0.19 -0.00 -0.33 0.09 0.00 0.00 178.44 179.05 2k52 h GLU 44 N 0.46 0.00 -0.01 1.13 5.08 -1.98 -2.50 114.58 116.77 2k52 h GLU 44 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2k52 h GLU 44 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k52 h GLU 44 CO -0.19 0.00 -0.15 0.09 -1.00 0.00 0.00 179.01 177.76 2k52 n ASN 45 N -3.33 1.10 -4.78 1.42 3.02 0.68 -5.02 115.26 108.34 2k52 n ASN 45 Ca -0.03 -1.05 -0.38 0.00 -0.03 0.00 0.00 54.58 53.10 2k52 n ASN 45 Cb 0.08 0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 2k52 n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k52 s LEU 46 N -1.42 4.41 0.22 3.41 1.43 -0.79 -4.93 118.68 121.01 2k52 s LEU 46 Ca 0.07 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.07 2k52 s LEU 46 Cb 0.06 -3.90 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 2k52 s LEU 46 CO 0.19 -0.01 -0.10 0.20 0.23 0.00 0.00 176.35 176.86 2k52 s ASN 47 N -1.52 2.45 -0.25 2.29 0.01 -1.26 -4.98 114.94 111.68 2k52 s ASN 47 Ca 0.48 -1.09 -0.29 0.00 -0.71 0.00 0.00 52.86 51.25 2k52 s ASN 47 Cb -0.20 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 2k52 s ASN 47 CO 0.25 -0.27 1.67 -0.69 -1.51 0.00 0.00 177.10 176.55 2k52 s VAL 48 N -3.08 3.62 0.00 1.60 1.01 -1.26 -2.83 120.40 119.47 2k52 s VAL 48 Ca 0.24 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2k52 s VAL 48 Cb 0.02 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2k52 s VAL 48 CO 0.08 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2k52 n GLY 49 N 4.90 0.96 3.74 4.51 0.00 -0.63 -5.03 105.19 113.64 2k52 n GLY 49 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2k52 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k52 s ASP 50 N -1.43 7.47 -0.51 1.61 1.01 -1.13 -4.81 116.67 118.88 2k52 s ASP 50 Ca 0.00 1.93 -0.16 0.00 0.71 0.00 0.00 52.55 55.03 2k52 s ASP 50 Cb 0.00 -2.60 0.09 0.00 1.01 0.00 0.00 42.92 41.42 2k52 s ASP 50 CO 0.00 -0.05 0.47 -1.61 0.21 0.00 0.00 175.17 174.19 2k52 s GLU 51 N -0.47 3.00 -0.14 8.23 2.02 -1.26 -1.52 118.70 128.56 2k52 s GLU 51 Ca 0.46 -1.44 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 2k52 s GLU 51 Cb -0.26 -4.20 -0.03 0.00 0.10 0.00 0.00 34.13 29.74 2k52 s GLU 51 CO 0.32 -1.19 -0.02 0.42 0.02 0.00 0.00 175.26 174.81 2k52 s ILE 52 N 1.78 4.05 -0.48 -1.63 1.01 -0.28 -4.94 121.20 120.72 2k52 s ILE 52 Ca 0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 2k52 s ILE 52 Cb -0.26 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.48 2k52 s ILE 52 CO 0.06 0.52 1.00 -0.63 0.00 0.00 0.00 174.94 175.89 2k52 s ILE 53 N 0.03 4.37 0.04 2.92 1.01 -1.26 -1.87 121.20 126.44 2k52 s ILE 53 Ca 0.01 0.87 0.08 0.00 0.00 0.00 0.00 60.65 61.62 2k52 s ILE 53 Cb -0.13 -4.50 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 2k52 s ILE 53 CO 0.02 -0.92 -0.24 0.68 0.00 0.00 0.00 174.94 174.49 2k52 s VAL 54 N 4.02 1.91 -0.28 2.92 -7.23 -0.70 -3.91 120.40 117.13 2k52 s VAL 54 Ca 0.40 -1.29 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2k52 s VAL 54 Cb -0.09 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2k52 s VAL 54 CO 0.28 0.29 0.18 -1.58 -0.31 0.00 0.00 175.10 173.96 2k52 s GLN 55 N -1.20 3.87 0.33 4.82 0.74 0.11 -0.91 119.66 127.41 2k52 s GLN 55 Ca 0.10 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.84 2k52 s GLN 55 Cb -0.09 -3.64 -0.12 0.00 1.10 0.00 0.00 33.01 30.26 2k52 s GLN 55 CO 0.02 -0.21 1.46 0.00 -0.55 0.00 0.00 175.29 176.01 2k52 n ALA 56 N 5.05 2.01 -0.39 1.58 0.00 0.59 -1.08 120.51 128.25 2k52 n ALA 56 Ca -0.14 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2k52 n ALA 56 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2k52 n ALA 56 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k52 n ILE 57 N 1.06 0.00 -4.23 0.00 5.41 0.47 0.00 119.36 122.07 2k52 n ILE 57 Ca 0.05 0.30 -0.21 0.00 1.00 0.00 0.00 62.75 63.90 2k52 n ILE 57 Cb 0.37 -1.11 -0.12 0.00 -0.71 0.00 0.00 39.64 38.07 2k52 n ILE 57 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2k52 s ASP 58 N -2.52 2.11 -0.26 4.38 1.01 -1.26 -2.78 116.67 117.35 2k52 s ASP 58 Ca 0.00 -0.67 0.02 0.00 0.71 0.00 0.00 52.55 52.61 2k52 s ASP 58 Cb 0.00 -0.09 0.07 0.00 1.01 0.00 0.00 42.92 43.90 2k52 s ASP 58 CO 0.00 -0.02 -0.06 -0.69 0.21 0.00 0.00 175.17 174.61 2k52 s VAL 59 N -1.32 1.85 -0.48 -1.27 1.01 -1.26 -1.41 120.40 117.53 2k52 s VAL 59 Ca 0.03 -1.52 -0.06 0.00 0.00 0.00 0.00 61.98 60.44 2k52 s VAL 59 Cb -0.09 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.33 2k52 s VAL 59 CO 0.03 -0.14 0.31 -0.13 0.00 0.00 0.00 175.10 175.17 2k52 s ARG 60 N 1.23 2.31 0.14 2.72 0.52 0.00 -4.95 118.95 120.92 2k52 s ARG 60 Ca -0.05 -1.92 -0.21 0.00 -0.52 0.00 0.00 55.73 53.04 2k52 s ARG 60 Cb -0.19 -3.77 -0.00 0.00 0.52 0.00 0.00 34.95 31.51 2k52 s ARG 60 CO -0.06 -1.14 1.68 -1.35 0.02 0.00 0.00 175.30 174.44 2k52 h PRO 61 N 8.06 -0.10 0.00 3.54 0.11 -1.96 0.37 132.00 142.02 2k52 h PRO 61 Ca -0.14 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2k52 h PRO 61 Cb 1.04 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k52 h PRO 61 CO 0.77 -0.06 -0.04 1.05 -0.21 0.00 0.00 178.00 179.50 2k52 h GLU 62 N -0.10 0.00 0.00 1.05 4.11 -1.97 -1.03 114.58 116.63 2k52 h GLU 62 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2k52 h GLU 62 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k52 h GLU 62 CO -0.26 0.04 -1.34 1.63 0.07 0.00 0.00 179.01 179.15 2k52 n LYS 63 N -3.44 0.46 -2.32 1.06 4.76 -0.79 -4.97 118.16 112.91 2k52 n LYS 63 Ca -0.02 -0.04 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 2k52 n LYS 63 Cb 0.16 -1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 31.72 2k52 n LYS 63 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k52 n ARG 64 N -2.19 -1.58 -4.56 1.97 1.74 0.12 -5.00 116.66 107.17 2k52 n ARG 64 Ca -0.00 0.98 -0.33 0.00 -0.77 0.00 0.00 57.85 57.73 2k52 n ARG 64 Cb 0.50 -5.57 -0.13 0.00 -1.02 0.00 0.00 32.46 26.24 2k52 n ARG 64 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2k52 s GLU 65 N -4.90 3.46 -0.24 5.56 2.02 -0.90 -5.00 118.70 118.70 2k52 s GLU 65 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.43 2k52 s GLU 65 Cb 0.00 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.51 2k52 s GLU 65 CO 0.00 0.29 -0.06 0.42 0.02 0.00 0.00 175.26 175.93 2k52 s ILE 66 N 0.20 1.69 0.17 -1.63 1.01 -1.26 -0.82 121.20 120.57 2k52 s ILE 66 Ca -0.04 -1.36 -0.22 0.00 0.00 0.00 0.00 60.65 59.03 2k52 s ILE 66 Cb -0.14 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 2k52 s ILE 66 CO 0.04 -0.11 0.72 -1.81 0.00 0.00 0.00 174.94 173.78 2k52 s ASP 67 N 1.31 7.19 0.16 3.58 1.01 -0.50 -0.41 116.67 129.02 2k52 s ASP 67 Ca -0.06 1.48 0.10 0.00 0.71 0.00 0.00 52.55 54.78 2k52 s ASP 67 Cb -0.19 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2k52 s ASP 67 CO -0.06 0.15 -0.19 -0.36 0.21 0.00 0.00 175.17 174.91 2k52 s PHE 68 N -1.30 2.45 0.01 4.23 0.08 0.47 -0.40 117.98 123.52 2k52 s PHE 68 Ca 0.38 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.14 2k52 s PHE 68 Cb -0.20 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 2k52 s PHE 68 CO 0.23 0.45 -0.06 0.21 -0.10 0.00 0.00 175.22 175.94 2k52 s LYS 69 N -2.48 0.48 0.00 0.44 2.20 -0.24 -3.07 119.74 117.07 2k52 s LYS 69 Ca 0.20 -0.33 -0.21 0.00 -0.36 0.00 0.00 55.97 55.27 2k52 s LYS 69 Cb -0.09 -0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 35.76 2k52 s LYS 69 CO 0.11 0.11 0.60 -0.47 -0.36 0.00 0.00 175.35 175.33 2k52 s TYR 70 N -0.41 3.69 -0.04 4.03 6.14 0.26 0.09 117.35 131.12 2k52 s TYR 70 Ca -0.00 1.22 0.02 0.00 0.64 0.00 0.00 57.07 58.94 2k52 s TYR 70 Cb -0.04 -2.61 0.01 0.00 0.42 0.00 0.00 41.96 39.74 2k52 s TYR 70 CO -0.00 0.37 -0.08 0.96 0.64 0.00 0.00 175.55 177.43 2k52 s ILE 71 N -0.25 0.75 -1.03 3.14 -4.36 -1.25 -4.33 121.20 113.86 2k52 s ILE 71 Ca 0.31 -0.30 -0.22 0.00 -0.26 0.00 0.00 60.65 60.18 2k52 s ILE 71 Cb -0.18 -0.69 -0.10 0.00 1.25 0.00 0.00 42.46 42.74 2k52 s ILE 71 CO 0.18 0.25 1.93 -0.81 0.24 0.00 0.00 174.94 176.72 2k52 n PRO 72 N 3.56 1.76 -2.29 0.37 -0.04 -1.26 -4.94 135.00 132.16 2k52 n PRO 72 Ca -0.21 -2.28 -0.42 0.00 -0.04 0.00 0.00 63.50 60.56 2k52 n PRO 72 Cb 0.53 -3.34 -0.03 0.00 -0.04 0.00 0.00 33.50 30.62 2k52 n PRO 72 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k52 s LEU 73 N 5.70 4.37 0.00 1.53 2.96 -1.26 -5.24 118.68 126.74 2k52 s LEU 73 Ca 0.61 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 2k52 s LEU 73 Cb 0.07 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2k52 s LEU 73 CO 0.11 -0.57 0.00 -1.84 -1.32 0.00 0.00 176.35 172.74