#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 -0.00 -0.00 6.12 2.15 -1.26 -5.12 116.67 118.56 2k52 s ASP 2 Ca 0.00 -0.02 -0.20 0.00 0.43 0.00 0.00 52.55 52.76 2k52 s ASP 2 Cb 0.00 0.15 -0.05 0.00 -0.30 0.00 0.00 42.92 42.71 2k52 s ASP 2 CO 0.00 -0.12 0.56 -0.69 -0.17 0.00 0.00 175.17 174.75 2k52 s VAL 3 N -0.44 4.92 -0.10 1.11 1.01 -1.26 -5.08 120.40 120.56 2k52 s VAL 3 Ca -0.05 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.15 2k52 s VAL 3 Cb -0.03 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2k52 s VAL 3 CO 0.00 0.44 -0.23 -1.61 0.00 0.00 0.00 175.10 173.70 2k52 s GLU 4 N -0.33 2.99 0.03 2.72 2.02 -1.26 -4.97 118.70 119.91 2k52 s GLU 4 Ca 0.30 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 2k52 s GLU 4 Cb -0.18 -2.28 -0.08 0.00 0.10 0.00 0.00 34.13 31.69 2k52 s GLU 4 CO 0.16 0.15 1.71 -1.25 0.02 0.00 0.00 175.26 176.06 2k52 s PRO 5 N 0.41 4.18 0.00 0.39 0.04 -1.26 -2.11 135.00 136.65 2k52 s PRO 5 Ca -0.17 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2k52 s PRO 5 Cb -0.18 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2k52 s PRO 5 CO 0.08 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2k52 n GLY 6 N 4.13 3.09 3.91 0.56 0.00 0.78 -4.98 105.19 112.67 2k52 n GLY 6 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.58 2.26 -0.16 1.61 -0.14 -0.89 -4.70 119.74 117.13 2k52 s LYS 7 Ca 0.00 0.06 -0.07 0.00 -1.36 0.00 0.00 55.97 54.60 2k52 s LYS 7 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 2k52 s LYS 7 CO 0.00 -1.33 0.08 -0.06 -0.76 0.00 0.00 175.35 173.28 2k52 s PHE 8 N -3.40 3.33 -0.04 3.18 0.08 -1.26 -1.57 117.98 118.29 2k52 s PHE 8 Ca 0.60 0.21 -0.09 0.00 0.12 0.00 0.00 56.93 57.77 2k52 s PHE 8 Cb -0.11 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2k52 s PHE 8 CO 0.48 0.32 0.22 0.71 -0.10 0.00 0.00 175.22 176.85 2k52 s TYR 9 N -0.05 -0.14 -0.01 0.36 2.02 -0.52 -5.00 117.35 114.00 2k52 s TYR 9 Ca 0.07 0.30 -0.06 0.00 -0.37 0.00 0.00 57.07 57.01 2k52 s TYR 9 Cb -0.12 0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 2k52 s TYR 9 CO 0.01 -0.23 0.24 0.21 -1.57 0.00 0.00 175.55 174.21 2k52 s LYS 10 N -0.68 3.55 0.22 -0.62 2.20 -1.26 -1.54 119.74 121.61 2k52 s LYS 10 Ca -0.08 -0.10 -0.10 0.00 -0.36 0.00 0.00 55.97 55.33 2k52 s LYS 10 Cb -0.04 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 2k52 s LYS 10 CO 0.02 0.67 0.37 0.20 -0.36 0.00 0.00 175.35 176.25 2k52 s GLY 11 N -1.62 0.66 -0.08 5.54 0.00 -0.35 -4.55 107.32 106.91 2k52 s GLY 11 Ca 0.26 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2k52 s GLY 11 CO 0.15 -0.80 -0.09 0.54 0.00 0.00 0.00 173.10 172.90 2k52 s VAL 12 N -4.03 3.47 0.09 1.40 0.11 -0.52 0.09 120.40 121.02 2k52 s VAL 12 Ca 0.24 -0.55 -0.31 0.00 -2.93 0.00 0.00 61.98 58.43 2k52 s VAL 12 Cb 0.02 -2.42 -0.06 0.00 -1.53 0.00 0.00 36.38 32.38 2k52 s VAL 12 CO 0.07 0.58 1.23 -0.69 -3.33 0.00 0.00 175.10 172.96 2k52 s VAL 13 N -0.52 3.83 -0.08 2.04 1.01 -0.08 -1.17 120.40 125.44 2k52 s VAL 13 Ca 0.07 1.35 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 2k52 s VAL 13 Cb -0.12 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2k52 s VAL 13 CO 0.02 0.13 -0.11 0.35 0.00 0.00 0.00 175.10 175.48 2k52 n THR 14 N 3.67 0.80 -3.93 3.92 -2.24 -0.06 -2.42 114.28 114.01 2k52 n THR 14 Ca 0.08 0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 62.11 2k52 n THR 14 Cb 0.45 -2.00 -0.09 0.00 -2.10 0.00 0.00 70.33 66.60 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 -1.74 0.66 -0.25 -0.78 1.70 -1.26 -4.59 118.95 112.68 2k52 s ARG 15 Ca -0.09 -0.87 -0.13 0.00 -0.47 0.00 0.00 55.73 54.16 2k52 s ARG 15 Cb 0.01 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2k52 s ARG 15 CO 0.14 -0.17 0.30 0.42 -1.08 0.00 0.00 175.30 174.91 2k52 s ILE 16 N -3.11 5.24 0.28 4.99 -1.09 -1.26 -2.85 121.20 123.40 2k52 s ILE 16 Ca -0.01 0.44 0.08 0.00 -2.23 0.00 0.00 60.65 58.93 2k52 s ILE 16 Cb 0.02 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2k52 s ILE 16 CO -0.07 0.23 0.18 -1.61 -1.23 0.00 0.00 174.94 172.44 2k52 s GLU 17 N 1.69 2.72 0.00 2.79 0.41 0.76 -5.00 118.70 122.07 2k52 s GLU 17 Ca 0.13 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 2k52 s GLU 17 Cb -0.15 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 2k52 s GLU 17 CO 0.09 0.29 0.81 1.63 -0.49 0.00 0.00 175.26 177.59 2k52 n LYS 18 N -1.18 0.82 0.00 1.61 5.02 -1.26 -2.34 118.16 120.83 2k52 n LYS 18 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2k52 n LYS 18 Cb 0.59 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.49 0.00 0.00 2.13 4.11 -1.26 -5.12 117.16 116.54 2k52 n TYR 19 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 2k52 n TYR 19 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.33 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 -0.09 1.03 3.27 -7.48 0.00 -0.99 -4.57 105.19 96.35 2k52 n GLY 20 Ca 0.00 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.18 2.28 -0.24 4.61 0.00 0.37 -0.17 121.76 127.42 2k52 s ALA 21 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 2k52 s ALA 21 Cb 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 2k52 s ALA 21 CO 0.00 0.31 1.21 -0.06 0.00 0.00 0.00 175.76 177.23 2k52 s PHE 22 N 0.22 2.91 -0.12 0.00 0.08 -1.13 -0.39 117.98 119.55 2k52 s PHE 22 Ca -0.14 1.06 0.00 0.00 0.12 0.00 0.00 56.93 57.97 2k52 s PHE 22 Cb -0.17 -3.63 -0.02 0.00 -0.57 0.00 0.00 43.02 38.63 2k52 s PHE 22 CO 0.07 -1.38 -0.12 0.42 -0.10 0.00 0.00 175.22 174.11 2k52 s ILE 23 N 3.77 3.15 -0.26 0.64 1.01 -0.17 -0.88 121.20 128.45 2k52 s ILE 23 Ca 0.52 -0.64 -0.13 0.00 0.00 0.00 0.00 60.65 60.40 2k52 s ILE 23 Cb -0.17 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2k52 s ILE 23 CO 0.16 0.53 0.30 0.20 0.00 0.00 0.00 174.94 176.14 2k52 s ASN 24 N 0.16 6.19 0.39 3.58 0.01 -0.31 0.01 114.94 124.97 2k52 s ASN 24 Ca -0.07 0.21 0.21 0.00 -0.71 0.00 0.00 52.86 52.50 2k52 s ASN 24 Cb -0.15 -2.18 0.26 0.00 0.41 0.00 0.00 41.25 39.59 2k52 s ASN 24 CO 0.05 -0.11 1.54 -0.07 -1.51 0.00 0.00 177.10 177.00 2k52 h LEU 25 N 8.34 0.00 -7.56 0.60 3.38 -1.41 -1.37 115.31 117.29 2k52 h LEU 25 Ca -0.34 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.76 2k52 h LEU 25 Cb 1.17 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 2k52 h LEU 25 CO 0.62 0.12 0.40 0.21 0.09 0.00 0.00 178.44 179.88 2k52 s ASN 26 N -6.22 -0.26 0.48 -0.43 2.47 -1.19 -4.83 114.94 104.96 2k52 s ASN 26 Ca 0.06 -0.34 0.29 0.00 0.42 0.00 0.00 52.86 53.28 2k52 s ASN 26 Cb 0.06 0.54 1.36 0.00 -1.45 0.00 0.00 41.25 41.76 2k52 s ASN 26 CO 0.69 -0.96 1.79 -0.08 -3.72 0.00 0.00 177.10 174.82 2k52 h GLU 27 N 2.00 0.16 -0.09 0.43 4.81 -2.04 -1.15 114.58 118.70 2k52 h GLU 27 Ca -0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2k52 h GLU 27 Cb 1.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k52 h GLU 27 CO 0.27 0.11 0.00 1.04 -0.73 0.00 0.00 179.01 179.70 2k52 n GLN 28 N -4.39 2.78 -4.01 1.92 1.13 -1.26 -4.97 117.38 108.58 2k52 n GLN 28 Ca 0.26 -1.80 -0.31 0.00 -1.94 0.00 0.00 57.00 53.20 2k52 n GLN 28 Cb 1.09 -1.15 -0.15 0.00 0.11 0.00 0.00 30.24 30.14 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 -1.29 1.84 0.06 5.09 1.01 -0.44 -5.09 120.40 121.59 2k52 s VAL 29 Ca 0.11 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.72 2k52 s VAL 29 Cb 0.07 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2k52 s VAL 29 CO 0.04 -0.05 -0.02 -0.60 0.00 0.00 0.00 175.10 174.47 2k52 s ARG 30 N 1.25 2.56 0.22 2.72 3.52 -1.26 -1.23 118.95 126.73 2k52 s ARG 30 Ca -0.07 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.72 2k52 s ARG 30 Cb -0.19 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.66 2k52 s ARG 30 CO -0.06 0.56 0.31 0.41 -0.81 0.00 0.00 175.30 175.71 2k52 n GLY 31 N 0.86 2.51 2.82 8.12 0.00 0.10 -4.05 105.19 115.55 2k52 n GLY 31 Ca -0.12 -1.54 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 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 0.89 -0.33 0.99 2.96 0.62 -1.00 118.68 122.81 2k52 s LEU 32 Ca 0.19 -0.09 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 2k52 s LEU 32 Cb -0.01 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 2k52 s LEU 32 CO 0.13 -0.14 0.21 -0.22 -1.32 0.00 0.00 176.35 175.02 2k52 s LEU 33 N 1.53 4.37 -0.07 -0.68 2.96 0.47 -0.99 118.68 126.27 2k52 s LEU 33 Ca -0.02 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 2k52 s LEU 33 Cb -0.13 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2k52 s LEU 33 CO -0.03 -0.21 0.18 -0.13 -1.32 0.00 0.00 176.35 174.84 2k52 s ARG 34 N 1.70 3.48 0.50 1.98 0.52 -1.26 -0.48 118.95 125.40 2k52 s ARG 34 Ca 0.06 -0.13 0.16 0.00 -0.52 0.00 0.00 55.73 55.29 2k52 s ARG 34 Cb -0.17 -3.16 1.20 0.00 0.52 0.00 0.00 34.95 33.34 2k52 s ARG 34 CO 0.09 0.74 2.11 -1.00 0.02 0.00 0.00 175.30 177.26 2k52 h PRO 35 N 4.59 0.01 0.00 3.54 0.13 -1.94 -0.68 132.00 137.66 2k52 h PRO 35 Ca -0.53 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2k52 h PRO 35 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k52 h PRO 35 CO 0.62 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2k52 h ARG 36 N 0.01 0.00 -0.68 0.86 3.08 -1.95 -2.27 114.38 113.44 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k52 h ARG 36 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2k52 n ASP 37 N -2.70 3.84 -4.52 7.04 8.00 -0.28 -4.93 116.55 122.99 2k52 n ASP 37 Ca 0.02 -2.00 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 2k52 n ASP 37 Cb 0.33 -0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.03 3.75 0.00 -1.24 -1.94 -0.85 -0.50 119.30 117.49 2k52 s MET 38 Ca 0.46 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 2k52 s MET 38 Cb 0.24 -3.06 0.00 0.00 2.01 0.00 0.00 34.83 34.02 2k52 s MET 38 CO 0.32 0.17 0.00 -0.89 -0.01 0.00 0.00 175.02 174.61 2k52 n ILE 39 N 3.77 0.00 -0.04 2.53 2.08 -1.24 -4.85 119.36 121.61 2k52 n ILE 39 Ca -0.17 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 62.99 2k52 n ILE 39 Cb 0.52 -0.38 -0.12 0.00 -0.75 0.00 0.00 39.64 38.91 2k52 n ILE 39 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2k52 h SER 40 N 0.00 0.08 -3.19 4.38 0.02 -1.93 -3.44 113.55 109.46 2k52 h SER 40 Ca 0.00 -0.89 -0.58 0.00 -0.84 0.00 0.00 61.79 59.48 2k52 h SER 40 Cb 0.00 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 2k52 h SER 40 CO 0.00 0.96 0.81 -0.76 -1.14 0.00 0.00 176.83 176.70 2k52 s LEU 41 N -8.37 4.02 0.19 5.07 1.43 -1.26 -5.04 118.68 114.72 2k52 s LEU 41 Ca -0.18 1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 54.01 2k52 s LEU 41 Cb -0.01 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 2k52 s LEU 41 CO 0.71 -0.76 0.57 -0.13 0.23 0.00 0.00 176.35 176.97 2k52 s ARG 42 N 3.40 3.94 0.52 1.70 1.81 -1.26 -4.87 118.95 124.18 2k52 s ARG 42 Ca 0.44 0.45 0.27 0.00 -1.72 0.00 0.00 55.73 55.17 2k52 s ARG 42 Cb -0.14 -2.81 1.39 0.00 -0.45 0.00 0.00 34.95 32.94 2k52 s ARG 42 CO 0.10 0.40 1.95 -0.07 -0.68 0.00 0.00 175.30 177.00 2k52 h LEU 43 N 3.15 0.05 -1.37 2.53 3.38 -1.96 -0.38 115.31 120.71 2k52 h LEU 43 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k52 h LEU 43 Cb 1.18 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2k52 h LEU 43 CO 0.67 0.02 0.41 -0.33 0.09 0.00 0.00 178.44 179.30 2k52 h GLU 44 N 0.05 0.83 0.00 1.13 5.08 -2.00 -2.42 114.58 117.24 2k52 h GLU 44 Ca 0.33 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2k52 h GLU 44 Cb 1.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2k52 h GLU 44 CO -0.02 0.55 -0.64 0.09 -1.00 0.00 0.00 179.01 177.99 2k52 n ASN 45 N -4.44 0.65 -4.71 1.42 3.02 -0.17 -4.86 115.26 106.16 2k52 n ASN 45 Ca 0.06 0.03 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 2k52 n ASN 45 Cb 0.05 0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 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 -3.98 4.33 0.40 3.41 1.43 -0.91 -5.03 118.68 118.33 2k52 s LEU 46 Ca 0.07 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 2k52 s LEU 46 Cb 0.14 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 2k52 s LEU 46 CO 0.72 -0.17 0.09 0.20 0.23 0.00 0.00 176.35 177.42 2k52 s ASN 47 N 0.88 2.86 0.19 2.29 0.01 -1.26 -4.91 114.94 115.00 2k52 s ASN 47 Ca 0.42 -1.58 -0.32 0.00 -0.71 0.00 0.00 52.86 50.67 2k52 s ASN 47 Cb -0.19 0.31 -0.11 0.00 0.41 0.00 0.00 41.25 41.67 2k52 s ASN 47 CO 0.21 -0.81 1.65 -0.69 -1.51 0.00 0.00 177.10 175.95 2k52 s VAL 48 N -3.18 2.29 0.00 1.60 1.01 -1.26 -2.60 120.40 118.25 2k52 s VAL 48 Ca 0.25 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2k52 s VAL 48 Cb 0.04 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2k52 s VAL 48 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2k52 n GLY 49 N 3.84 0.54 3.64 4.51 0.00 -1.02 -5.04 105.19 111.66 2k52 n GLY 49 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 6.47 -0.52 1.61 1.01 -1.07 -4.77 116.67 117.46 2k52 s ASP 50 Ca 0.00 1.96 -0.20 0.00 0.71 0.00 0.00 52.55 55.02 2k52 s ASP 50 Cb 0.00 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.45 2k52 s ASP 50 CO 0.00 -1.13 0.70 -1.61 0.21 0.00 0.00 175.17 173.34 2k52 s GLU 51 N 4.45 3.16 -0.12 8.23 2.02 -1.26 -0.90 118.70 134.28 2k52 s GLU 51 Ca 0.74 -0.77 -0.03 0.00 0.02 0.00 0.00 54.97 54.93 2k52 s GLU 51 Cb -0.30 -4.10 -0.03 0.00 0.10 0.00 0.00 34.13 29.80 2k52 s GLU 51 CO 0.30 -1.29 -0.01 0.42 0.02 0.00 0.00 175.26 174.70 2k52 s ILE 52 N 2.93 4.21 -0.18 -1.63 1.01 0.11 -4.90 121.20 122.74 2k52 s ILE 52 Ca 0.18 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 2k52 s ILE 52 Cb -0.18 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2k52 s ILE 52 CO 0.13 0.55 0.53 -0.63 0.00 0.00 0.00 174.94 175.53 2k52 s ILE 53 N -0.35 5.11 0.19 2.92 1.01 -1.26 -1.21 121.20 127.61 2k52 s ILE 53 Ca 0.07 1.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.70 2k52 s ILE 53 Cb -0.12 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2k52 s ILE 53 CO 0.02 0.20 0.14 0.68 0.00 0.00 0.00 174.94 175.98 2k52 s VAL 54 N 1.45 0.02 -0.10 2.92 -7.23 -0.59 -4.89 120.40 111.98 2k52 s VAL 54 Ca 0.25 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2k52 s VAL 54 Cb -0.15 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2k52 s VAL 54 CO 0.10 -0.08 0.02 -1.58 -0.31 0.00 0.00 175.10 173.25 2k52 s GLN 55 N -4.13 3.12 0.18 4.82 0.74 0.25 -1.44 119.66 123.20 2k52 s GLN 55 Ca 0.35 -0.37 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 2k52 s GLN 55 Cb 0.06 -2.87 -0.07 0.00 1.10 0.00 0.00 33.01 31.23 2k52 s GLN 55 CO 0.10 0.67 1.04 0.00 -0.55 0.00 0.00 175.29 176.55 2k52 s ALA 56 N -0.78 3.33 -0.03 1.58 0.00 -0.61 -0.18 121.76 125.07 2k52 s ALA 56 Ca 0.12 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 2k52 s ALA 56 Cb -0.12 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2k52 s ALA 56 CO 0.02 -0.09 -0.05 -0.89 0.00 0.00 0.00 175.76 174.76 2k52 n ILE 57 N 2.24 0.31 -4.31 0.00 5.41 0.28 -0.16 119.36 123.13 2k52 n ILE 57 Ca 0.02 0.43 -0.18 0.00 1.00 0.00 0.00 62.75 64.02 2k52 n ILE 57 Cb 0.47 -1.69 -0.14 0.00 -0.71 0.00 0.00 39.64 37.57 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 -4.13 1.11 -0.43 4.38 1.01 -1.24 -4.19 116.67 113.17 2k52 s ASP 58 Ca -0.04 -0.26 -0.11 0.00 0.71 0.00 0.00 52.55 52.85 2k52 s ASP 58 Cb 0.01 -0.09 0.08 0.00 1.01 0.00 0.00 42.92 43.92 2k52 s ASP 58 CO 0.06 0.05 0.30 -0.69 0.21 0.00 0.00 175.17 175.10 2k52 s VAL 59 N -0.47 4.47 -0.57 -1.27 1.01 -1.26 -1.32 120.40 120.99 2k52 s VAL 59 Ca 0.01 -1.34 -0.09 0.00 0.00 0.00 0.00 61.98 60.56 2k52 s VAL 59 Cb -0.05 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.75 2k52 s VAL 59 CO 0.00 -0.54 0.45 -0.13 0.00 0.00 0.00 175.10 174.88 2k52 s ARG 60 N 1.47 2.72 0.36 2.72 0.52 -0.79 -4.91 118.95 121.05 2k52 s ARG 60 Ca 0.03 -2.03 0.15 0.00 -0.52 0.00 0.00 55.73 53.37 2k52 s ARG 60 Cb -0.23 -4.00 0.68 0.00 0.52 0.00 0.00 34.95 31.92 2k52 s ARG 60 CO 0.03 -1.22 1.77 -1.00 0.02 0.00 0.00 175.30 174.90 2k52 h PRO 61 N 8.10 0.00 -0.52 3.54 0.13 -1.94 -0.92 132.00 140.38 2k52 h PRO 61 Ca -0.12 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2k52 h PRO 61 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2k52 h PRO 61 CO 0.83 0.41 0.21 1.05 -0.23 0.00 0.00 178.00 180.27 2k52 h GLU 62 N 0.00 0.40 -0.02 0.86 4.11 -1.94 -2.49 114.58 115.51 2k52 h GLU 62 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2k52 h GLU 62 Cb 0.81 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k52 h GLU 62 CO 0.05 0.27 -0.31 1.63 0.07 0.00 0.00 179.01 180.72 2k52 n LYS 63 N -4.96 1.31 -2.36 1.06 4.76 -1.18 -4.95 118.16 111.83 2k52 n LYS 63 Ca 0.05 -0.99 -0.19 0.00 -2.87 0.00 0.00 58.31 54.31 2k52 n LYS 63 Cb 0.19 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 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 0.02 -1.54 -4.41 1.97 1.74 -0.54 -5.00 116.66 108.91 2k52 n ARG 64 Ca 0.12 0.94 -0.25 0.00 -0.77 0.00 0.00 57.85 57.88 2k52 n ARG 64 Cb 0.44 -5.51 -0.17 0.00 -1.02 0.00 0.00 32.46 26.21 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 -4.95 1.67 -0.25 5.56 2.02 -0.46 -4.94 118.70 117.34 2k52 s GLU 65 Ca 0.00 -0.38 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 2k52 s GLU 65 Cb 0.00 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.75 2k52 s GLU 65 CO 0.00 -0.05 0.05 0.42 0.02 0.00 0.00 175.26 175.70 2k52 s ILE 66 N 0.93 4.09 -0.00 -1.63 1.01 -1.26 -1.88 121.20 122.46 2k52 s ILE 66 Ca -0.09 -0.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 2k52 s ILE 66 Cb -0.15 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 2k52 s ILE 66 CO 0.00 0.30 0.74 -1.81 0.00 0.00 0.00 174.94 174.17 2k52 s ASP 67 N 1.57 7.12 0.33 3.58 1.01 -0.43 -0.28 116.67 129.56 2k52 s ASP 67 Ca 0.06 1.34 0.08 0.00 0.71 0.00 0.00 52.55 54.74 2k52 s ASP 67 Cb -0.15 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2k52 s ASP 67 CO 0.02 -0.04 0.16 -0.36 0.21 0.00 0.00 175.17 175.16 2k52 s PHE 68 N 0.30 2.77 -0.15 4.23 0.08 -0.16 -0.56 117.98 124.49 2k52 s PHE 68 Ca 0.38 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 57.01 2k52 s PHE 68 Cb -0.19 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2k52 s PHE 68 CO 0.21 0.35 0.37 0.21 -0.10 0.00 0.00 175.22 176.26 2k52 s LYS 69 N -3.85 0.37 -0.35 0.44 2.20 0.74 -4.16 119.74 115.13 2k52 s LYS 69 Ca 0.37 0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 56.48 2k52 s LYS 69 Cb -0.04 0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.29 2k52 s LYS 69 CO 0.23 -0.14 0.54 -0.47 -0.36 0.00 0.00 175.35 175.16 2k52 s TYR 70 N 1.11 3.18 0.24 4.03 6.14 0.35 -0.58 117.35 131.82 2k52 s TYR 70 Ca -0.07 0.24 -0.08 0.00 0.64 0.00 0.00 57.07 57.80 2k52 s TYR 70 Cb -0.07 -2.96 -0.06 0.00 0.42 0.00 0.00 41.96 39.28 2k52 s TYR 70 CO -0.09 -0.54 0.54 0.96 0.64 0.00 0.00 175.55 177.06 2k52 s ILE 71 N 2.46 4.98 0.13 3.14 -4.36 -1.26 -3.70 121.20 122.57 2k52 s ILE 71 Ca 0.20 0.31 0.16 0.00 -0.26 0.00 0.00 60.65 61.06 2k52 s ILE 71 Cb -0.15 -3.66 0.16 0.00 1.25 0.00 0.00 42.46 40.07 2k52 s ILE 71 CO 0.13 -0.15 1.42 1.55 0.24 0.00 0.00 174.94 178.14 2k52 h PRO 72 N 2.27 0.00 -2.88 0.37 0.13 -1.98 -3.31 132.00 126.61 2k52 h PRO 72 Ca -0.47 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 2k52 h PRO 72 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2k52 h PRO 72 CO 0.68 0.00 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.51 2k52 s LEU 73 N -4.42 0.54 0.00 1.56 2.96 -1.26 -5.07 118.68 112.99 2k52 s LEU 73 Ca -0.02 -1.12 0.25 0.00 -0.22 0.00 0.00 54.13 53.02 2k52 s LEU 73 Cb 0.05 -0.34 0.41 0.00 0.50 0.00 0.00 46.19 46.81 2k52 s LEU 73 CO 0.15 -0.42 1.38 -0.62 -1.32 0.00 0.00 176.35 175.53