#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 7.20 -0.21 6.12 2.15 -1.26 -4.91 116.67 125.75 2k52 s ASP 2 Ca 0.00 1.95 -0.07 0.00 0.43 0.00 0.00 52.55 54.86 2k52 s ASP 2 Cb 0.00 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.00 2k52 s ASP 2 CO 0.00 -0.17 0.06 -0.69 -0.17 0.00 0.00 175.17 174.19 2k52 s VAL 3 N -1.55 4.51 0.37 1.11 1.01 -1.26 -5.10 120.40 119.48 2k52 s VAL 3 Ca 0.51 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 2k52 s VAL 3 Cb -0.21 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2k52 s VAL 3 CO 0.27 0.40 0.66 -1.61 0.00 0.00 0.00 175.10 174.82 2k52 s GLU 4 N 0.95 3.63 -0.37 2.72 2.02 -1.26 -4.85 118.70 121.54 2k52 s GLU 4 Ca 0.04 0.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.86 2k52 s GLU 4 Cb -0.14 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 2k52 s GLU 4 CO 0.03 0.05 1.78 -1.25 0.02 0.00 0.00 175.26 175.89 2k52 s PRO 5 N -4.01 3.26 0.00 0.39 0.04 -1.26 -2.95 135.00 130.48 2k52 s PRO 5 Ca 0.46 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2k52 s PRO 5 Cb -0.10 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2k52 s PRO 5 CO 0.35 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.85 2k52 n GLY 6 N 5.43 1.57 3.90 0.56 0.00 0.18 -4.98 105.19 111.86 2k52 n GLY 6 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.08 3.35 -0.13 1.61 -0.14 -1.15 -4.86 119.74 118.34 2k52 s LYS 7 Ca 0.00 0.26 0.01 0.00 -1.36 0.00 0.00 55.97 54.88 2k52 s LYS 7 Cb 0.00 -2.28 0.02 0.00 -1.68 0.00 0.00 37.83 33.89 2k52 s LYS 7 CO 0.00 -0.45 -0.16 -0.06 -0.76 0.00 0.00 175.35 173.93 2k52 s PHE 8 N -2.92 2.16 0.03 3.18 0.40 -1.26 -1.40 117.98 118.17 2k52 s PHE 8 Ca 0.51 -1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 55.67 2k52 s PHE 8 Cb -0.11 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 2k52 s PHE 8 CO 0.47 -0.58 0.09 0.71 0.70 0.00 0.00 175.22 176.61 2k52 s TYR 9 N 1.19 0.19 -0.44 0.36 2.02 -0.92 -5.03 117.35 114.71 2k52 s TYR 9 Ca -0.01 -0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 56.03 2k52 s TYR 9 Cb -0.14 -0.14 0.03 0.00 -0.40 0.00 0.00 41.96 41.31 2k52 s TYR 9 CO -0.06 -0.35 0.52 0.21 -1.57 0.00 0.00 175.55 174.30 2k52 s LYS 10 N -2.41 3.14 0.31 -0.62 2.20 -1.26 -0.90 119.74 120.20 2k52 s LYS 10 Ca -0.07 -0.70 0.08 0.00 -0.36 0.00 0.00 55.97 54.92 2k52 s LYS 10 Cb -0.02 -3.99 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 2k52 s LYS 10 CO -0.04 -0.96 0.18 0.20 -0.36 0.00 0.00 175.35 174.38 2k52 s GLY 11 N 2.03 1.75 -0.10 5.54 0.00 -0.03 -4.85 107.32 111.65 2k52 s GLY 11 Ca 0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 2k52 s GLY 11 CO 0.14 -1.63 -0.05 0.54 0.00 0.00 0.00 173.10 172.10 2k52 s VAL 12 N -2.32 3.83 -0.19 1.40 0.11 -0.66 0.09 120.40 122.66 2k52 s VAL 12 Ca 0.37 -0.41 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 2k52 s VAL 12 Cb -0.05 -2.61 -0.01 0.00 -1.53 0.00 0.00 36.38 32.17 2k52 s VAL 12 CO 0.24 0.56 1.29 -0.69 -3.33 0.00 0.00 175.10 173.17 2k52 s VAL 13 N -0.35 4.22 -0.12 2.04 1.01 -0.08 -1.10 120.40 126.03 2k52 s VAL 13 Ca 0.05 1.46 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 2k52 s VAL 13 Cb -0.12 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2k52 s VAL 13 CO 0.02 -0.21 0.08 0.71 0.00 0.00 0.00 175.10 175.71 2k52 h THR 14 N 5.61 0.28 -3.46 3.92 1.35 -1.39 -1.01 112.91 118.21 2k52 h THR 14 Ca -0.27 -1.22 -0.10 0.00 -0.55 0.00 0.00 66.41 64.26 2k52 h THR 14 Cb 1.10 0.54 -0.17 0.00 -1.73 0.00 0.00 68.15 67.89 2k52 h THR 14 CO 0.98 0.09 -0.34 0.00 -0.25 0.00 0.00 175.52 176.01 2k52 s ARG 15 N -1.78 0.74 -0.15 4.72 1.70 -1.26 -4.66 118.95 118.25 2k52 s ARG 15 Ca -0.06 -0.58 -0.13 0.00 -0.47 0.00 0.00 55.73 54.49 2k52 s ARG 15 Cb 0.00 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 2k52 s ARG 15 CO 0.15 -0.22 0.29 0.42 -1.08 0.00 0.00 175.30 174.85 2k52 s ILE 16 N -2.54 5.31 0.39 4.99 -1.09 -1.26 -2.88 121.20 124.11 2k52 s ILE 16 Ca -0.05 0.54 0.08 0.00 -2.23 0.00 0.00 60.65 58.98 2k52 s ILE 16 Cb -0.01 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 2k52 s ILE 16 CO -0.04 0.40 0.07 -1.61 -1.23 0.00 0.00 174.94 172.54 2k52 s GLU 17 N 0.36 2.07 -0.00 2.79 0.41 0.66 -5.01 118.70 119.98 2k52 s GLU 17 Ca 0.16 -1.94 0.02 0.00 -0.41 0.00 0.00 54.97 52.81 2k52 s GLU 17 Cb -0.13 -1.82 0.07 0.00 -1.78 0.00 0.00 34.13 30.46 2k52 s GLU 17 CO 0.04 -0.03 1.05 1.63 -0.49 0.00 0.00 175.26 177.46 2k52 n LYS 18 N -1.06 1.17 -0.15 1.61 5.02 -1.26 -3.09 118.16 120.42 2k52 n LYS 18 Ca -0.03 -0.27 0.01 0.00 -2.02 0.00 0.00 58.31 55.99 2k52 n LYS 18 Cb 0.65 -1.06 0.01 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.28 0.00 0.00 2.13 4.11 -1.26 -5.08 117.16 116.78 2k52 n TYR 19 Ca 0.02 -0.10 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 2k52 n TYR 19 Cb 0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 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 -0.13 0.97 3.03 -7.48 0.00 -1.18 -4.57 105.19 95.83 2k52 n GLY 20 Ca 0.01 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.05 1.15 -0.24 4.61 0.00 0.30 -0.24 121.76 126.29 2k52 s ALA 21 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 2k52 s ALA 21 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2k52 s ALA 21 CO 0.00 0.15 1.19 -0.06 0.00 0.00 0.00 175.76 177.03 2k52 s PHE 22 N 0.42 2.98 -0.07 0.00 0.08 -1.14 -0.94 117.98 119.31 2k52 s PHE 22 Ca -0.09 1.12 0.03 0.00 0.12 0.00 0.00 56.93 58.11 2k52 s PHE 22 Cb -0.13 -3.58 -0.02 0.00 -0.57 0.00 0.00 43.02 38.72 2k52 s PHE 22 CO 0.02 -1.25 -0.15 0.42 -0.10 0.00 0.00 175.22 174.16 2k52 s ILE 23 N 3.67 2.99 -0.20 0.64 1.01 -0.41 -0.95 121.20 127.95 2k52 s ILE 23 Ca 0.51 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 2k52 s ILE 23 Cb -0.17 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2k52 s ILE 23 CO 0.15 0.57 0.42 0.20 0.00 0.00 0.00 174.94 176.28 2k52 s ASN 24 N -0.44 6.45 -0.03 3.58 0.01 -0.26 -0.92 114.94 123.34 2k52 s ASN 24 Ca 0.05 0.54 0.19 0.00 -0.71 0.00 0.00 52.86 52.92 2k52 s ASN 24 Cb -0.12 -2.24 -0.21 0.00 0.41 0.00 0.00 41.25 39.08 2k52 s ASN 24 CO 0.02 -0.10 0.54 0.18 -1.51 0.00 0.00 177.10 176.22 2k52 n LEU 25 N 4.59 0.41 -3.73 0.60 4.77 -0.00 -1.65 117.00 121.99 2k52 n LEU 25 Ca -0.08 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 2k52 n LEU 25 Cb 0.51 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2k52 n LEU 25 CO 0.40 0.20 0.50 0.21 -1.33 0.00 0.00 177.39 177.37 2k52 s ASN 26 N -5.38 -0.32 0.55 -1.43 2.47 -0.96 -4.93 114.94 104.94 2k52 s ASN 26 Ca -0.06 -0.42 0.33 0.00 0.42 0.00 0.00 52.86 53.13 2k52 s ASN 26 Cb 0.09 0.65 1.49 0.00 -1.45 0.00 0.00 41.25 42.04 2k52 s ASN 26 CO 0.84 -1.17 1.85 -0.08 -3.72 0.00 0.00 177.10 174.83 2k52 h GLU 27 N 2.00 0.00 -0.00 0.43 4.81 -2.01 -0.97 114.58 118.84 2k52 h GLU 27 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2k52 h GLU 27 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2k52 h GLU 27 CO 0.27 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.59 2k52 n GLN 28 N -4.16 3.00 -4.21 1.92 1.13 -1.26 -5.02 117.38 108.77 2k52 n GLN 28 Ca 0.19 -1.51 -0.28 0.00 -1.94 0.00 0.00 57.00 53.47 2k52 n GLN 28 Cb 1.02 -1.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.20 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 -1.00 1.30 0.03 5.09 1.01 -0.37 -5.06 120.40 121.40 2k52 s VAL 29 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2k52 s VAL 29 Cb 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2k52 s VAL 29 CO 0.00 0.41 0.05 -0.60 0.00 0.00 0.00 175.10 174.95 2k52 s ARG 30 N 1.26 0.51 0.00 2.72 3.52 -1.26 -0.82 118.95 124.88 2k52 s ARG 30 Ca -0.02 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 2k52 s ARG 30 Cb -0.14 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 2k52 s ARG 30 CO -0.05 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 2k52 n GLY 31 N 0.94 3.42 2.90 8.12 0.00 -0.10 -3.90 105.19 116.58 2k52 n GLY 31 Ca -0.20 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 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 1.18 -0.34 0.99 2.96 0.01 -1.28 118.68 122.19 2k52 s LEU 32 Ca 0.00 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.54 2k52 s LEU 32 Cb 0.00 -0.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 2k52 s LEU 32 CO 0.00 -0.10 0.22 -0.22 -1.32 0.00 0.00 176.35 174.93 2k52 s LEU 33 N 1.50 4.51 0.32 -0.68 2.96 -0.11 -2.29 118.68 124.89 2k52 s LEU 33 Ca 0.00 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 2k52 s LEU 33 Cb -0.13 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2k52 s LEU 33 CO -0.05 -0.26 0.58 -0.13 -1.32 0.00 0.00 176.35 175.16 2k52 s ARG 34 N 1.68 3.60 0.59 1.98 0.52 -1.26 -0.54 118.95 125.52 2k52 s ARG 34 Ca 0.05 -0.03 0.38 0.00 -0.52 0.00 0.00 55.73 55.61 2k52 s ARG 34 Cb -0.18 -2.62 1.77 0.00 0.52 0.00 0.00 34.95 34.45 2k52 s ARG 34 CO 0.09 0.16 2.13 -1.00 0.02 0.00 0.00 175.30 176.70 2k52 h PRO 35 N 1.37 0.00 0.00 3.54 0.13 -1.96 -2.24 132.00 132.85 2k52 h PRO 35 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2k52 h PRO 35 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2k52 h PRO 35 CO 0.65 0.01 -0.44 0.00 -0.23 0.00 0.00 178.00 177.99 2k52 h ARG 36 N 0.00 0.00 -0.01 0.86 3.08 -1.95 -3.00 114.38 113.36 2k52 h ARG 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k52 h ARG 36 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2k52 h ARG 36 CO 0.00 0.44 -0.37 -0.25 -1.07 0.00 0.00 179.97 178.72 2k52 n ASP 37 N -4.00 1.49 -4.59 7.04 9.92 -0.85 -4.85 116.55 120.71 2k52 n ASP 37 Ca -0.02 -1.18 -0.43 0.00 -0.53 0.00 0.00 54.79 52.63 2k52 n ASP 37 Cb 0.46 0.31 -0.02 0.00 -0.64 0.00 0.00 41.12 41.23 2k52 n ASP 37 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2k52 s MET 38 N -2.50 3.64 -0.01 -1.24 -1.94 -1.14 -1.12 119.30 115.00 2k52 s MET 38 Ca 0.21 0.50 -0.05 0.00 -1.71 0.00 0.00 55.69 54.64 2k52 s MET 38 Cb 0.19 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 2k52 s MET 38 CO 0.55 -1.50 0.53 0.82 -0.01 0.00 0.00 175.02 175.41 2k52 h ILE 39 N 6.24 0.00 0.00 2.53 1.08 -1.88 -3.43 117.51 122.04 2k52 h ILE 39 Ca -0.24 -0.17 -0.29 0.00 -0.39 0.00 0.00 64.86 63.77 2k52 h ILE 39 Cb 1.06 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.77 2k52 h ILE 39 CO 1.14 0.00 -1.65 -1.20 -0.69 0.00 0.00 178.15 175.76 2k52 n SER 40 N -2.98 1.89 -4.82 1.72 7.64 -1.26 -4.99 113.62 110.82 2k52 n SER 40 Ca -0.02 0.40 -0.33 0.00 1.01 0.00 0.00 58.87 59.93 2k52 n SER 40 Cb 0.08 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.30 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 -7.77 3.89 0.14 -3.43 1.43 -1.26 -5.09 118.68 106.59 2k52 s LEU 41 Ca -0.32 1.69 0.10 0.00 -1.03 0.00 0.00 54.13 54.58 2k52 s LEU 41 Cb 0.09 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2k52 s LEU 41 CO 0.54 -0.43 -0.20 -0.13 0.23 0.00 0.00 176.35 176.36 2k52 s ARG 42 N -3.31 1.68 0.39 1.70 1.81 -1.26 -4.74 118.95 115.21 2k52 s ARG 42 Ca 0.62 -1.29 0.10 0.00 -1.72 0.00 0.00 55.73 53.44 2k52 s ARG 42 Cb -0.10 -2.02 0.89 0.00 -0.45 0.00 0.00 34.95 33.27 2k52 s ARG 42 CO 0.16 0.45 1.93 -0.07 -0.68 0.00 0.00 175.30 177.09 2k52 h LEU 43 N 3.58 0.54 -1.77 2.53 3.38 -1.96 -1.07 115.31 120.55 2k52 h LEU 43 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k52 h LEU 43 Cb 1.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k52 h LEU 43 CO 0.45 0.31 0.03 -0.33 0.09 0.00 0.00 178.44 178.99 2k52 h GLU 44 N 0.59 0.00 -0.00 1.13 5.08 -1.98 -1.79 114.58 117.61 2k52 h GLU 44 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2k52 h GLU 44 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k52 h GLU 44 CO -0.13 0.00 -0.19 0.09 -1.00 0.00 0.00 179.01 177.78 2k52 n ASN 45 N -2.44 0.96 -4.77 1.42 3.02 -0.41 -5.02 115.26 108.02 2k52 n ASN 45 Ca -0.02 -0.98 -0.39 0.00 -0.03 0.00 0.00 54.58 53.16 2k52 n ASN 45 Cb 0.07 0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.60 4.59 0.15 3.41 1.43 -0.67 -5.02 118.68 120.96 2k52 s LEU 46 Ca 0.06 1.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.97 2k52 s LEU 46 Cb 0.06 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 2k52 s LEU 46 CO 0.22 0.18 -0.22 0.20 0.23 0.00 0.00 176.35 176.95 2k52 s ASN 47 N -1.20 2.96 -0.14 2.29 0.01 -1.26 -4.97 114.94 112.62 2k52 s ASN 47 Ca 0.38 -0.79 -0.29 0.00 -0.71 0.00 0.00 52.86 51.45 2k52 s ASN 47 Cb -0.23 -0.19 -0.06 0.00 0.41 0.00 0.00 41.25 41.17 2k52 s ASN 47 CO 0.27 0.08 2.15 0.52 -1.51 0.00 0.00 177.10 178.61 2k52 n VAL 48 N 0.65 0.47 0.00 1.60 0.31 -1.26 -1.81 118.33 118.28 2k52 n VAL 48 Ca -0.16 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2k52 n VAL 48 Cb 0.55 -2.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 2k52 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k52 n GLY 49 N 5.42 1.58 3.71 2.92 0.00 -0.38 -5.04 105.19 113.40 2k52 n GLY 49 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.93 6.95 -0.35 1.61 1.01 -0.75 -4.74 116.67 118.47 2k52 s ASP 50 Ca 0.00 2.16 -0.13 0.00 0.71 0.00 0.00 52.55 55.28 2k52 s ASP 50 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 2k52 s ASP 50 CO 0.00 -0.57 0.25 -1.61 0.21 0.00 0.00 175.17 173.45 2k52 s GLU 51 N 1.17 3.38 -0.05 8.23 2.02 -1.26 -0.90 118.70 131.29 2k52 s GLU 51 Ca 0.62 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2k52 s GLU 51 Cb -0.33 -3.84 -0.03 0.00 0.10 0.00 0.00 34.13 30.04 2k52 s GLU 51 CO 0.29 -0.51 -0.11 0.42 0.02 0.00 0.00 175.26 175.37 2k52 s ILE 52 N 1.71 3.31 -0.43 -1.63 1.01 0.11 -4.89 121.20 120.39 2k52 s ILE 52 Ca 0.06 -0.67 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 2k52 s ILE 52 Cb -0.18 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 39.99 2k52 s ILE 52 CO 0.10 0.57 1.03 -0.63 0.00 0.00 0.00 174.94 176.01 2k52 s ILE 53 N -0.79 4.39 0.10 2.92 1.01 -1.26 -0.85 121.20 126.72 2k52 s ILE 53 Ca 0.12 1.16 0.09 0.00 0.00 0.00 0.00 60.65 62.02 2k52 s ILE 53 Cb -0.11 -4.48 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2k52 s ILE 53 CO 0.02 -0.80 -0.23 0.68 0.00 0.00 0.00 174.94 174.60 2k52 s VAL 54 N 3.97 1.90 -0.22 2.92 -7.23 -0.08 -4.10 120.40 117.55 2k52 s VAL 54 Ca 0.43 -1.57 -0.09 0.00 -1.81 0.00 0.00 61.98 58.94 2k52 s VAL 54 Cb -0.09 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 2k52 s VAL 54 CO 0.26 0.03 0.12 -1.58 -0.31 0.00 0.00 175.10 173.62 2k52 s GLN 55 N -1.84 4.02 -0.56 4.82 0.74 0.07 -2.17 119.66 124.73 2k52 s GLN 55 Ca 0.09 -0.31 -0.28 0.00 0.05 0.00 0.00 55.36 54.92 2k52 s GLN 55 Cb -0.10 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.62 2k52 s GLN 55 CO 0.04 0.12 1.38 0.00 -0.55 0.00 0.00 175.29 176.29 2k52 s ALA 56 N 0.84 2.85 -0.01 1.58 0.00 -0.49 -0.31 121.76 126.22 2k52 s ALA 56 Ca 0.06 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 2k52 s ALA 56 Cb -0.13 -4.09 -0.13 0.00 0.00 0.00 0.00 23.12 18.77 2k52 s ALA 56 CO 0.02 -2.87 0.97 0.82 0.00 0.00 0.00 175.76 174.70 2k52 h ILE 57 N 6.34 0.17 -3.21 0.00 2.04 -0.87 0.52 117.51 122.51 2k52 h ILE 57 Ca -0.27 -0.49 -0.44 0.00 1.00 0.00 0.00 64.86 64.67 2k52 h ILE 57 Cb 1.09 0.26 -0.16 0.00 -0.74 0.00 0.00 36.82 37.26 2k52 h ILE 57 CO 1.18 0.03 -0.75 -1.81 0.00 0.00 0.00 178.15 176.80 2k52 s ASP 58 N -4.76 2.33 -0.08 1.72 1.01 -1.23 -3.84 116.67 111.82 2k52 s ASP 58 Ca -0.12 -0.94 0.01 0.00 0.71 0.00 0.00 52.55 52.21 2k52 s ASP 58 Cb 0.01 -0.10 0.02 0.00 1.01 0.00 0.00 42.92 43.86 2k52 s ASP 58 CO 0.39 -0.16 -0.09 -0.69 0.21 0.00 0.00 175.17 174.83 2k52 s VAL 59 N -2.64 1.01 -0.62 -1.27 1.01 -1.26 -0.69 120.40 115.94 2k52 s VAL 59 Ca 0.17 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2k52 s VAL 59 Cb -0.02 -0.97 0.14 0.00 0.00 0.00 0.00 36.38 35.53 2k52 s VAL 59 CO 0.05 0.34 0.61 -0.13 0.00 0.00 0.00 175.10 175.97 2k52 s ARG 60 N 1.10 3.14 0.04 2.72 0.52 0.75 -4.98 118.95 122.24 2k52 s ARG 60 Ca -0.07 -1.80 -0.22 0.00 -0.52 0.00 0.00 55.73 53.13 2k52 s ARG 60 Cb -0.14 -4.34 -0.12 0.00 0.52 0.00 0.00 34.95 30.87 2k52 s ARG 60 CO -0.01 -1.37 1.32 -1.35 0.02 0.00 0.00 175.30 173.91 2k52 h PRO 61 N 8.72 -0.73 -0.65 3.54 0.11 -1.97 0.14 132.00 141.15 2k52 h PRO 61 Ca -0.21 0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 2k52 h PRO 61 Cb 1.08 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2k52 h PRO 61 CO 0.99 -0.49 0.32 1.05 -0.21 0.00 0.00 178.00 179.67 2k52 h GLU 62 N -0.76 0.92 0.00 1.05 4.11 -1.97 -2.54 114.58 115.39 2k52 h GLU 62 Ca -0.07 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2k52 h GLU 62 Cb 0.59 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k52 h GLU 62 CO 0.11 0.71 0.00 0.87 0.07 0.00 0.00 179.01 180.77 2k52 h LYS 63 N 0.92 0.00 -4.13 1.06 1.79 -1.98 -3.47 116.57 110.77 2k52 h LYS 63 Ca 0.23 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.32 2k52 h LYS 63 Cb 0.08 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.79 2k52 h LYS 63 CO -0.03 0.00 -0.56 0.54 -1.08 0.00 0.00 179.45 178.32 2k52 n ARG 64 N -2.62 -4.51 -4.43 3.15 1.74 0.48 -5.01 116.66 105.45 2k52 n ARG 64 Ca 0.05 0.84 -0.24 0.00 -0.77 0.00 0.00 57.85 57.73 2k52 n ARG 64 Cb 0.46 -5.55 -0.13 0.00 -1.02 0.00 0.00 32.46 26.22 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 -5.60 1.18 -0.07 5.56 2.02 -1.04 -4.92 118.70 115.82 2k52 s GLU 65 Ca 0.28 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 54.31 2k52 s GLU 65 Cb -0.12 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.79 2k52 s GLU 65 CO 0.34 0.32 -0.20 0.42 0.02 0.00 0.00 175.26 176.17 2k52 s ILE 66 N -0.98 1.72 -0.27 -1.63 1.01 -1.25 -0.18 121.20 119.63 2k52 s ILE 66 Ca 0.05 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 2k52 s ILE 66 Cb -0.09 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 2k52 s ILE 66 CO 0.03 0.49 0.80 -1.81 0.00 0.00 0.00 174.94 174.44 2k52 s ASP 67 N 0.27 6.75 0.21 3.58 1.01 0.14 -0.81 116.67 127.82 2k52 s ASP 67 Ca -0.12 0.87 0.07 0.00 0.71 0.00 0.00 52.55 54.07 2k52 s ASP 67 Cb -0.15 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2k52 s ASP 67 CO 0.06 -0.55 0.10 -0.36 0.21 0.00 0.00 175.17 174.63 2k52 s PHE 68 N 2.87 2.99 0.02 4.23 0.08 -0.97 -0.17 117.98 127.03 2k52 s PHE 68 Ca 0.33 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.28 2k52 s PHE 68 Cb -0.15 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 2k52 s PHE 68 CO 0.09 0.54 -0.04 0.21 -0.10 0.00 0.00 175.22 175.92 2k52 s LYS 69 N -3.41 0.33 -0.02 0.44 2.20 0.58 -4.37 119.74 115.48 2k52 s LYS 69 Ca 0.31 -0.53 -0.21 0.00 -0.36 0.00 0.00 55.97 55.18 2k52 s LYS 69 Cb -0.09 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.15 2k52 s LYS 69 CO 0.22 -0.01 0.60 -0.47 -0.36 0.00 0.00 175.35 175.33 2k52 s TYR 70 N -1.15 3.66 -0.05 4.03 6.14 -0.28 -0.75 117.35 128.95 2k52 s TYR 70 Ca -0.11 1.18 0.05 0.00 0.64 0.00 0.00 57.07 58.83 2k52 s TYR 70 Cb -0.08 -2.62 -0.00 0.00 0.42 0.00 0.00 41.96 39.67 2k52 s TYR 70 CO -0.00 0.31 -0.20 0.96 0.64 0.00 0.00 175.55 177.26 2k52 s ILE 71 N -0.03 1.67 -0.27 3.14 -4.36 -1.26 -4.26 121.20 115.82 2k52 s ILE 71 Ca 0.31 -0.84 -0.29 0.00 -0.26 0.00 0.00 60.65 59.57 2k52 s ILE 71 Cb -0.18 -1.43 0.01 0.00 1.25 0.00 0.00 42.46 42.11 2k52 s ILE 71 CO 0.17 0.47 1.15 -2.84 0.24 0.00 0.00 174.94 174.13 2k52 s PRO 72 N 0.05 4.10 0.32 0.37 0.02 -1.26 -5.00 135.00 133.59 2k52 s PRO 72 Ca -0.06 1.27 0.07 0.00 0.02 0.00 0.00 61.00 62.30 2k52 s PRO 72 Cb -0.13 -3.76 -0.03 0.00 0.02 0.00 0.00 34.50 30.61 2k52 s PRO 72 CO 0.03 -0.87 0.29 -0.48 -0.33 0.00 0.00 177.00 175.65 2k52 s LEU 73 N 3.71 3.69 0.00 -5.54 2.34 -1.26 -5.22 118.68 116.40 2k52 s LEU 73 Ca 0.49 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 54.28 2k52 s LEU 73 Cb -0.15 -2.31 0.00 0.00 -0.56 0.00 0.00 46.19 43.17 2k52 s LEU 73 CO 0.15 -0.29 0.42 -1.84 -1.06 0.00 0.00 176.35 173.73