#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 0.66 -0.26 6.12 2.15 -1.26 -5.09 116.67 119.00 2k52 s ASP 2 Ca 0.00 -0.07 -0.11 0.00 0.43 0.00 0.00 52.55 52.80 2k52 s ASP 2 Cb 0.00 -0.32 -0.05 0.00 -0.30 0.00 0.00 42.92 42.25 2k52 s ASP 2 CO 0.00 -0.08 0.17 -0.69 -0.17 0.00 0.00 175.17 174.40 2k52 s VAL 3 N 0.97 5.33 0.04 1.11 1.01 -1.26 -5.09 120.40 122.51 2k52 s VAL 3 Ca -0.10 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.08 2k52 s VAL 3 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2k52 s VAL 3 CO -0.01 0.30 -0.00 -1.61 0.00 0.00 0.00 175.10 173.78 2k52 s GLU 4 N 1.36 2.66 -0.44 2.72 2.02 -1.26 -4.90 118.70 120.86 2k52 s GLU 4 Ca 0.07 -0.73 -0.27 0.00 0.02 0.00 0.00 54.97 54.07 2k52 s GLU 4 Cb -0.15 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 2k52 s GLU 4 CO 0.07 0.58 2.30 -1.25 0.02 0.00 0.00 175.26 176.98 2k52 s PRO 5 N -1.91 2.41 0.00 0.39 0.04 -1.26 -1.76 135.00 132.91 2k52 s PRO 5 Ca 0.22 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2k52 s PRO 5 Cb -0.12 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 29.92 2k52 s PRO 5 CO 0.14 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.67 2k52 n GLY 6 N 5.90 1.38 3.80 0.56 0.00 0.27 -4.97 105.19 112.13 2k52 n GLY 6 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 4.13 -0.21 1.61 -0.14 -0.72 -4.72 119.74 119.68 2k52 s LYS 7 Ca 0.00 1.34 -0.16 0.00 -1.36 0.00 0.00 55.97 55.79 2k52 s LYS 7 Cb 0.00 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.77 2k52 s LYS 7 CO 0.00 -0.14 0.40 -0.06 -0.76 0.00 0.00 175.35 174.79 2k52 s PHE 8 N -1.89 3.36 0.08 3.18 0.40 -1.26 -1.76 117.98 120.09 2k52 s PHE 8 Ca 0.61 0.60 -0.00 0.00 -0.60 0.00 0.00 56.93 57.54 2k52 s PHE 8 Cb -0.16 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 2k52 s PHE 8 CO 0.21 -0.04 -0.03 0.71 0.70 0.00 0.00 175.22 176.77 2k52 s TYR 9 N 1.42 0.71 -0.23 0.36 2.02 -0.37 -5.01 117.35 116.25 2k52 s TYR 9 Ca 0.19 -1.05 -0.09 0.00 -0.37 0.00 0.00 57.07 55.75 2k52 s TYR 9 Cb -0.15 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2k52 s TYR 9 CO 0.08 -0.33 0.12 0.21 -1.57 0.00 0.00 175.55 174.06 2k52 s LYS 10 N -3.91 3.93 0.28 -0.62 2.20 -1.26 -0.19 119.74 120.17 2k52 s LYS 10 Ca 0.12 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.45 2k52 s LYS 10 Cb 0.07 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 2k52 s LYS 10 CO -0.06 0.02 -0.06 0.20 -0.36 0.00 0.00 175.35 175.10 2k52 s GLY 11 N 1.11 1.84 -0.08 5.54 0.00 -0.06 -4.68 107.32 111.00 2k52 s GLY 11 Ca 0.06 -1.91 0.02 0.00 0.00 0.00 0.00 44.72 42.89 2k52 s GLY 11 CO 0.04 -1.85 -0.15 0.54 0.00 0.00 0.00 173.10 171.69 2k52 s VAL 12 N -3.00 2.95 -0.18 1.40 0.11 -0.53 -0.40 120.40 120.75 2k52 s VAL 12 Ca 0.30 -0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 58.32 2k52 s VAL 12 Cb 0.04 -2.18 -0.03 0.00 -1.53 0.00 0.00 36.38 32.67 2k52 s VAL 12 CO 0.12 0.56 1.65 -0.69 -3.33 0.00 0.00 175.10 173.41 2k52 s VAL 13 N -0.26 3.64 -0.13 2.04 1.01 -0.07 -1.88 120.40 124.75 2k52 s VAL 13 Ca 0.01 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 2k52 s VAL 13 Cb -0.13 -3.62 -0.25 0.00 0.00 0.00 0.00 36.38 32.38 2k52 s VAL 13 CO 0.03 -0.23 0.45 0.71 0.00 0.00 0.00 175.10 176.06 2k52 h THR 14 N 6.05 0.97 -2.55 3.92 1.35 -1.12 0.22 112.91 121.75 2k52 h THR 14 Ca -0.35 -2.33 -0.09 0.00 -0.55 0.00 0.00 66.41 63.08 2k52 h THR 14 Cb 1.16 2.59 -0.20 0.00 -1.73 0.00 0.00 68.15 69.97 2k52 h THR 14 CO 0.99 0.64 -0.08 0.00 -0.25 0.00 0.00 175.52 176.82 2k52 s ARG 15 N -2.45 0.79 -0.13 4.72 1.70 -1.20 -4.82 118.95 117.55 2k52 s ARG 15 Ca -0.22 0.18 -0.13 0.00 -0.47 0.00 0.00 55.73 55.09 2k52 s ARG 15 Cb 0.05 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 2k52 s ARG 15 CO 0.72 -0.21 0.27 0.42 -1.08 0.00 0.00 175.30 175.43 2k52 s ILE 16 N -0.90 5.30 0.36 4.99 -1.09 -1.26 -1.54 121.20 127.06 2k52 s ILE 16 Ca -0.10 0.51 0.06 0.00 -2.23 0.00 0.00 60.65 58.89 2k52 s ILE 16 Cb -0.03 -3.59 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 2k52 s ILE 16 CO 0.05 0.46 0.01 -1.61 -1.23 0.00 0.00 174.94 172.63 2k52 s GLU 17 N -0.02 1.79 0.00 2.79 0.41 0.78 -5.00 118.70 119.45 2k52 s GLU 17 Ca 0.17 -1.99 0.12 0.00 -0.41 0.00 0.00 54.97 52.86 2k52 s GLU 17 Cb -0.13 -1.30 0.67 0.00 -1.78 0.00 0.00 34.13 31.58 2k52 s GLU 17 CO 0.05 -0.08 1.44 1.63 -0.49 0.00 0.00 175.26 177.81 2k52 n LYS 18 N -0.81 1.10 0.00 1.61 5.02 -1.26 -3.08 118.16 120.73 2k52 n LYS 18 Ca -0.04 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2k52 n LYS 18 Cb 0.66 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.54 0.00 -1.25 2.13 0.18 -1.26 -5.13 117.16 111.29 2k52 n TYR 19 Ca 0.09 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.75 2k52 n TYR 19 Cb 0.07 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 2k52 n TYR 19 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k52 n GLY 20 N -0.12 -0.02 3.04 -7.48 0.00 -1.18 -4.47 105.19 94.95 2k52 n GLY 20 Ca 0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.07 1.46 -0.13 4.61 0.00 0.51 -0.16 121.76 126.97 2k52 s ALA 21 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2k52 s ALA 21 Cb 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2k52 s ALA 21 CO 0.00 0.02 1.16 -0.06 0.00 0.00 0.00 175.76 176.88 2k52 s PHE 22 N 0.84 3.16 -0.08 0.00 0.08 -0.59 -0.78 117.98 120.61 2k52 s PHE 22 Ca -0.11 1.26 0.04 0.00 0.12 0.00 0.00 56.93 58.24 2k52 s PHE 22 Cb -0.15 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.92 2k52 s PHE 22 CO 0.01 -1.10 -0.20 0.42 -0.10 0.00 0.00 175.22 174.25 2k52 s ILE 23 N 2.78 1.75 -0.17 0.64 1.01 -0.39 -0.46 121.20 126.37 2k52 s ILE 23 Ca 0.52 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 2k52 s ILE 23 Cb -0.21 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2k52 s ILE 23 CO 0.16 0.49 0.02 0.20 0.00 0.00 0.00 174.94 175.81 2k52 s ASN 24 N 0.35 5.25 0.38 3.58 0.01 -0.79 -1.04 114.94 122.68 2k52 s ASN 24 Ca -0.15 -0.02 0.23 0.00 -0.71 0.00 0.00 52.86 52.21 2k52 s ASN 24 Cb -0.16 -1.88 0.37 0.00 0.41 0.00 0.00 41.25 39.98 2k52 s ASN 24 CO 0.06 0.16 1.57 -0.07 -1.51 0.00 0.00 177.10 177.32 2k52 h LEU 25 N 6.78 0.00 -7.12 0.60 3.38 -1.81 -1.41 115.31 115.72 2k52 h LEU 25 Ca -0.35 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.79 2k52 h LEU 25 Cb 1.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 2k52 h LEU 25 CO 0.67 0.00 0.60 0.21 0.09 0.00 0.00 178.44 180.01 2k52 s ASN 26 N -5.86 -0.25 0.56 -0.43 2.47 -1.25 -4.78 114.94 105.39 2k52 s ASN 26 Ca 0.07 -0.07 0.35 0.00 0.42 0.00 0.00 52.86 53.62 2k52 s ASN 26 Cb 0.07 0.32 1.50 0.00 -1.45 0.00 0.00 41.25 41.68 2k52 s ASN 26 CO 0.67 -0.54 1.77 -0.08 -3.72 0.00 0.00 177.10 175.20 2k52 h GLU 27 N 2.00 0.00 -0.18 0.43 4.81 -2.03 -0.09 114.58 119.51 2k52 h GLU 27 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2k52 h GLU 27 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2k52 h GLU 27 CO 0.28 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.60 2k52 n GLN 28 N -4.02 2.63 -4.14 1.92 1.13 -1.26 -4.99 117.38 108.65 2k52 n GLN 28 Ca 0.23 -2.23 -0.28 0.00 -1.94 0.00 0.00 57.00 52.78 2k52 n GLN 28 Cb 1.20 -1.40 -0.17 0.00 0.11 0.00 0.00 30.24 29.98 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 -1.83 1.33 -0.10 5.09 1.01 -0.05 -5.10 120.40 120.76 2k52 s VAL 29 Ca 0.24 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2k52 s VAL 29 Cb 0.18 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2k52 s VAL 29 CO 0.08 0.41 -0.13 -0.60 0.00 0.00 0.00 175.10 174.86 2k52 s ARG 30 N 1.36 3.03 0.36 2.72 3.52 -1.26 -3.03 118.95 125.65 2k52 s ARG 30 Ca 0.00 -0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 2k52 s ARG 30 Cb -0.13 -2.54 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 2k52 s ARG 30 CO -0.06 0.39 0.51 0.20 -0.81 0.00 0.00 175.30 175.53 2k52 s GLY 31 N -0.11 1.44 -0.06 8.12 0.00 -0.20 -2.01 107.32 114.48 2k52 s GLY 31 Ca -0.01 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 43.20 2k52 s GLY 31 CO 0.03 -0.94 0.14 -2.27 0.00 0.00 0.00 173.10 170.06 2k52 s LEU 32 N -3.23 0.90 -0.16 0.66 2.96 0.77 -1.26 118.68 119.31 2k52 s LEU 32 Ca 0.29 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2k52 s LEU 32 Cb -0.01 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 47.05 2k52 s LEU 32 CO 0.20 -0.13 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.82 2k52 s LEU 33 N 0.92 2.97 0.10 -0.68 2.96 0.04 -0.80 118.68 124.18 2k52 s LEU 33 Ca -0.07 -0.27 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 2k52 s LEU 33 Cb -0.09 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2k52 s LEU 33 CO -0.05 0.12 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.76 2k52 s ARG 34 N 0.66 1.73 0.38 1.98 0.52 -1.26 -0.37 118.95 122.59 2k52 s ARG 34 Ca -0.04 -1.19 0.16 0.00 -0.52 0.00 0.00 55.73 54.15 2k52 s ARG 34 Cb -0.15 -2.07 1.05 0.00 0.52 0.00 0.00 34.95 34.30 2k52 s ARG 34 CO 0.02 0.48 1.77 -1.00 0.02 0.00 0.00 175.30 176.59 2k52 h PRO 35 N 3.95 0.43 0.00 3.54 0.13 -1.96 0.98 132.00 139.07 2k52 h PRO 35 Ca -0.50 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2k52 h PRO 35 Cb 1.16 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2k52 h PRO 35 CO 0.44 0.29 -0.04 0.00 -0.23 0.00 0.00 178.00 178.46 2k52 h ARG 36 N 0.45 0.00 -0.38 0.86 3.08 -1.96 -1.18 114.38 115.25 2k52 h ARG 36 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2k52 h ARG 36 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2k52 h ARG 36 CO -0.33 0.04 0.00 -0.25 -1.07 0.00 0.00 179.97 178.36 2k52 n ASP 37 N -3.91 3.01 -4.59 7.04 8.00 0.33 -4.89 116.55 121.54 2k52 n ASP 37 Ca -0.03 -1.93 -0.40 0.00 0.71 0.00 0.00 54.79 53.14 2k52 n ASP 37 Cb 0.12 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.51 3.88 0.00 -1.24 -1.94 -0.45 -0.20 119.30 117.84 2k52 s MET 38 Ca 0.38 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 2k52 s MET 38 Cb 0.21 -3.70 0.00 0.00 2.01 0.00 0.00 34.83 33.35 2k52 s MET 38 CO 0.30 -0.37 0.00 -0.89 -0.01 0.00 0.00 175.02 174.05 2k52 n ILE 39 N 5.17 0.00 1.14 2.53 2.08 -1.26 -4.69 119.36 124.34 2k52 n ILE 39 Ca -0.08 0.32 0.12 0.00 0.56 0.00 0.00 62.75 63.67 2k52 n ILE 39 Cb 0.50 -1.06 0.20 0.00 -0.75 0.00 0.00 39.64 38.53 2k52 n ILE 39 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2k52 n SER 40 N -1.66 1.83 -4.39 4.38 7.64 -1.26 -4.92 113.62 115.24 2k52 n SER 40 Ca 0.00 -1.41 -0.32 0.00 1.01 0.00 0.00 58.87 58.15 2k52 n SER 40 Cb 0.00 0.23 -0.15 0.00 -1.01 0.00 0.00 64.21 63.28 2k52 n SER 40 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2k52 s LEU 41 N -2.34 2.36 0.02 -3.43 1.43 -1.26 -5.13 118.68 110.32 2k52 s LEU 41 Ca 0.25 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2k52 s LEU 41 Cb 0.19 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2k52 s LEU 41 CO 0.48 0.33 0.15 -0.13 0.23 0.00 0.00 176.35 177.40 2k52 s ARG 42 N -0.71 3.27 0.55 1.70 1.81 -1.26 -4.81 118.95 119.51 2k52 s ARG 42 Ca 0.11 -0.43 0.25 0.00 -1.72 0.00 0.00 55.73 53.94 2k52 s ARG 42 Cb -0.10 -2.98 1.47 0.00 -0.45 0.00 0.00 34.95 32.89 2k52 s ARG 42 CO -0.00 0.64 2.04 -0.07 -0.68 0.00 0.00 175.30 177.23 2k52 h LEU 43 N 3.67 0.00 -1.96 2.53 3.38 -1.97 -0.51 115.31 120.45 2k52 h LEU 43 Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2k52 h LEU 43 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2k52 h LEU 43 CO 0.68 0.00 -0.10 -0.33 0.09 0.00 0.00 178.44 178.78 2k52 h GLU 44 N 0.00 0.00 -0.01 1.13 5.08 -2.00 -3.03 114.58 115.76 2k52 h GLU 44 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2k52 h GLU 44 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k52 h GLU 44 CO -0.00 0.10 -0.51 0.09 -1.00 0.00 0.00 179.01 177.69 2k52 n ASN 45 N -3.62 1.27 -4.75 1.42 3.02 -0.22 -4.99 115.26 107.40 2k52 n ASN 45 Ca -0.02 -1.13 -0.40 0.00 -0.03 0.00 0.00 54.58 52.99 2k52 n ASN 45 Cb 0.23 0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 40.04 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 -2.35 4.57 0.01 3.41 1.43 -1.12 -4.99 118.68 119.63 2k52 s LEU 46 Ca 0.10 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.33 2k52 s LEU 46 Cb 0.13 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2k52 s LEU 46 CO 0.51 -0.04 -0.23 0.20 0.23 0.00 0.00 176.35 177.02 2k52 s ASN 47 N -0.69 3.33 -0.16 2.29 0.01 -1.26 -5.04 114.94 113.43 2k52 s ASN 47 Ca 0.45 -0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 51.84 2k52 s ASN 47 Cb -0.28 -0.43 -0.05 0.00 0.41 0.00 0.00 41.25 40.90 2k52 s ASN 47 CO 0.35 0.29 2.01 -0.69 -1.51 0.00 0.00 177.10 177.55 2k52 s VAL 48 N -0.75 3.17 0.00 1.60 1.01 -1.26 -1.65 120.40 122.53 2k52 s VAL 48 Ca 0.12 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2k52 s VAL 48 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2k52 s VAL 48 CO 0.01 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2k52 n GLY 49 N 5.23 0.90 3.67 4.51 0.00 0.07 -5.01 105.19 114.56 2k52 n GLY 49 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.36 6.70 -0.58 1.61 1.01 -0.66 -4.71 116.67 118.68 2k52 s ASP 50 Ca 0.00 2.24 -0.17 0.00 0.71 0.00 0.00 52.55 55.33 2k52 s ASP 50 Cb 0.00 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.51 2k52 s ASP 50 CO 0.00 -0.88 0.61 -1.61 0.21 0.00 0.00 175.17 173.51 2k52 s GLU 51 N 3.47 3.05 0.00 8.23 2.02 -1.26 -0.89 118.70 133.32 2k52 s GLU 51 Ca 0.71 -1.57 0.05 0.00 0.02 0.00 0.00 54.97 54.18 2k52 s GLU 51 Cb -0.34 -4.30 -0.03 0.00 0.10 0.00 0.00 34.13 29.56 2k52 s GLU 51 CO 0.29 -1.43 -0.14 0.42 0.02 0.00 0.00 175.26 174.41 2k52 s ILE 52 N 2.04 3.07 -0.37 -1.63 1.01 0.47 -4.89 121.20 120.89 2k52 s ILE 52 Ca 0.08 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 2k52 s ILE 52 Cb -0.26 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 39.95 2k52 s ILE 52 CO 0.04 0.44 0.91 -0.63 0.00 0.00 0.00 174.94 175.70 2k52 s ILE 53 N -0.87 4.59 0.28 2.92 1.01 -1.26 -0.88 121.20 126.98 2k52 s ILE 53 Ca 0.14 1.13 0.06 0.00 0.00 0.00 0.00 60.65 61.98 2k52 s ILE 53 Cb -0.11 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 2k52 s ILE 53 CO 0.04 -0.55 -0.04 0.68 0.00 0.00 0.00 174.94 175.07 2k52 s VAL 54 N 3.46 1.52 -0.13 2.92 -7.23 0.73 -4.58 120.40 117.10 2k52 s VAL 54 Ca 0.37 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2k52 s VAL 54 Cb -0.12 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2k52 s VAL 54 CO 0.19 -0.28 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.10 2k52 s GLN 55 N -3.76 3.38 -0.55 4.82 0.74 -0.39 -1.24 119.66 122.66 2k52 s GLN 55 Ca 0.30 -0.47 -0.28 0.00 0.05 0.00 0.00 55.36 54.96 2k52 s GLN 55 Cb 0.04 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.30 2k52 s GLN 55 CO 0.12 0.44 1.43 0.00 -0.55 0.00 0.00 175.29 176.72 2k52 s ALA 56 N -0.17 2.82 0.00 1.58 0.00 -0.72 -0.48 121.76 124.79 2k52 s ALA 56 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2k52 s ALA 56 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.90 2k52 s ALA 56 CO 0.02 -2.90 0.85 -0.89 0.00 0.00 0.00 175.76 172.84 2k52 n ILE 57 N 6.89 0.00 -4.63 0.00 5.41 0.20 0.94 119.36 128.17 2k52 n ILE 57 Ca 0.13 1.34 -0.23 0.00 1.00 0.00 0.00 62.75 65.00 2k52 n ILE 57 Cb 0.49 -2.33 -0.15 0.00 -0.71 0.00 0.00 39.64 36.94 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 -2.06 1.67 -0.46 4.38 1.01 -1.24 -4.09 116.67 115.88 2k52 s ASP 58 Ca 0.00 -0.26 -0.14 0.00 0.71 0.00 0.00 52.55 52.86 2k52 s ASP 58 Cb 0.00 -0.30 0.07 0.00 1.01 0.00 0.00 42.92 43.70 2k52 s ASP 58 CO 0.00 0.15 0.37 -0.69 0.21 0.00 0.00 175.17 175.20 2k52 s VAL 59 N -0.13 5.04 -0.55 -1.27 1.01 -1.26 -1.28 120.40 121.95 2k52 s VAL 59 Ca 0.02 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 2k52 s VAL 59 Cb -0.07 -4.02 0.14 0.00 0.00 0.00 0.00 36.38 32.43 2k52 s VAL 59 CO 0.00 -0.57 0.42 -0.13 0.00 0.00 0.00 175.10 174.83 2k52 s ARG 60 N 1.60 2.64 0.52 2.72 0.52 -1.18 -4.92 118.95 120.85 2k52 s ARG 60 Ca 0.04 -2.04 0.28 0.00 -0.52 0.00 0.00 55.73 53.49 2k52 s ARG 60 Cb -0.24 -3.94 1.43 0.00 0.52 0.00 0.00 34.95 32.72 2k52 s ARG 60 CO 0.06 -1.20 2.06 -1.00 0.02 0.00 0.00 175.30 175.23 2k52 h PRO 61 N 8.03 0.00 -0.78 3.54 0.13 -1.94 0.56 132.00 141.54 2k52 h PRO 61 Ca -0.12 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2k52 h PRO 61 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2k52 h PRO 61 CO 0.81 0.12 0.51 1.05 -0.23 0.00 0.00 178.00 180.26 2k52 h GLU 62 N 0.00 0.86 0.00 0.86 4.11 -1.95 -2.66 114.58 115.80 2k52 h GLU 62 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2k52 h GLU 62 Cb 0.37 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k52 h GLU 62 CO 0.02 0.57 -0.98 1.63 0.07 0.00 0.00 179.01 180.31 2k52 n LYS 63 N -4.47 1.52 -1.95 1.06 4.76 -1.02 -4.98 118.16 113.06 2k52 n LYS 63 Ca 0.11 -0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.34 2k52 n LYS 63 Cb 0.18 -1.27 -0.04 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.54 -1.34 -4.93 1.97 1.74 0.16 -5.00 116.66 107.72 2k52 n ARG 64 Ca 0.01 0.99 -0.28 0.00 -0.77 0.00 0.00 57.85 57.81 2k52 n ARG 64 Cb 0.29 -5.38 -0.16 0.00 -1.02 0.00 0.00 32.46 26.18 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 -4.25 2.08 -0.15 5.56 2.02 -1.11 -4.69 118.70 118.17 2k52 s GLU 65 Ca 0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 2k52 s GLU 65 Cb 0.00 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 2k52 s GLU 65 CO 0.00 0.23 0.01 0.42 0.02 0.00 0.00 175.26 175.94 2k52 s ILE 66 N 0.13 4.36 -0.05 -1.63 1.01 -0.85 -3.10 121.20 121.06 2k52 s ILE 66 Ca -0.07 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.12 2k52 s ILE 66 Cb -0.13 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2k52 s ILE 66 CO 0.04 0.51 0.78 -1.81 0.00 0.00 0.00 174.94 174.46 2k52 s ASP 67 N 0.00 7.09 0.15 3.58 1.01 -0.41 -0.16 116.67 127.93 2k52 s ASP 67 Ca 0.03 1.32 0.08 0.00 0.71 0.00 0.00 52.55 54.69 2k52 s ASP 67 Cb -0.13 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2k52 s ASP 67 CO 0.02 -0.17 -0.06 -0.36 0.21 0.00 0.00 175.17 174.81 2k52 s PHE 68 N 0.91 2.74 0.03 4.23 0.08 0.02 0.60 117.98 126.59 2k52 s PHE 68 Ca 0.41 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.33 2k52 s PHE 68 Cb -0.19 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2k52 s PHE 68 CO 0.21 0.49 -0.12 0.21 -0.10 0.00 0.00 175.22 175.91 2k52 s LYS 69 N -2.68 0.80 -0.42 0.44 2.20 0.37 -4.24 119.74 116.22 2k52 s LYS 69 Ca 0.25 -0.64 -0.23 0.00 -0.36 0.00 0.00 55.97 54.99 2k52 s LYS 69 Cb -0.10 -0.77 0.02 0.00 -1.51 0.00 0.00 37.83 35.48 2k52 s LYS 69 CO 0.16 0.19 0.79 -0.47 -0.36 0.00 0.00 175.35 175.66 2k52 s TYR 70 N -0.76 3.04 0.08 4.03 6.14 0.73 -1.26 117.35 129.34 2k52 s TYR 70 Ca 0.00 0.33 0.04 0.00 0.64 0.00 0.00 57.07 58.09 2k52 s TYR 70 Cb -0.07 -3.57 -0.04 0.00 0.42 0.00 0.00 41.96 38.70 2k52 s TYR 70 CO 0.01 -0.89 0.00 0.96 0.64 0.00 0.00 175.55 176.27 2k52 s ILE 71 N 3.24 4.04 -0.35 3.14 -4.36 -1.26 -4.24 121.20 121.40 2k52 s ILE 71 Ca 0.31 -0.95 -0.28 0.00 -0.26 0.00 0.00 60.65 59.47 2k52 s ILE 71 Cb -0.12 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.66 2k52 s ILE 71 CO 0.21 0.14 1.68 -2.16 0.24 0.00 0.00 174.94 175.05 2k52 s PRO 72 N -2.24 3.41 -0.73 0.37 0.04 -1.26 -4.94 135.00 129.65 2k52 s PRO 72 Ca 0.25 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.31 2k52 s PRO 72 Cb -0.12 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 2k52 s PRO 72 CO 0.18 -1.76 1.80 -1.17 0.04 0.00 0.00 177.00 176.08 2k52 s LEU 73 N 6.43 3.25 0.00 -3.56 0.20 -1.26 -5.23 118.68 118.51 2k52 s LEU 73 Ca 0.74 -0.14 0.26 0.00 0.69 0.00 0.00 54.13 55.68 2k52 s LEU 73 Cb -0.20 -2.54 0.63 0.00 -0.43 0.00 0.00 46.19 43.65 2k52 s LEU 73 CO 0.33 -2.38 1.51 -0.62 -0.29 0.00 0.00 176.35 174.90