#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 6.14 -0.12 6.12 2.15 -1.26 -4.89 116.67 124.82 2k52 s ASP 2 Ca 0.00 0.07 0.03 0.00 0.43 0.00 0.00 52.55 53.08 2k52 s ASP 2 Cb 0.00 -1.79 -0.00 0.00 -0.30 0.00 0.00 42.92 40.83 2k52 s ASP 2 CO 0.00 0.02 -0.21 -0.69 -0.17 0.00 0.00 175.17 174.12 2k52 s VAL 3 N -1.82 2.24 -0.06 1.11 1.01 -1.26 -5.13 120.40 116.50 2k52 s VAL 3 Ca 0.34 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2k52 s VAL 3 Cb -0.10 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2k52 s VAL 3 CO 0.27 0.55 0.12 -1.61 0.00 0.00 0.00 175.10 174.43 2k52 s GLU 4 N 0.47 3.27 -0.33 2.72 2.02 -1.26 -4.94 118.70 120.66 2k52 s GLU 4 Ca -0.15 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 2k52 s GLU 4 Cb -0.17 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 2k52 s GLU 4 CO 0.06 0.71 1.71 -1.25 0.02 0.00 0.00 175.26 176.50 2k52 s PRO 5 N -1.44 3.44 0.00 0.39 0.04 -1.26 -2.52 135.00 133.65 2k52 s PRO 5 Ca 0.20 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.62 2k52 s PRO 5 Cb -0.12 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2k52 s PRO 5 CO 0.10 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2k52 n GLY 6 N 5.27 0.92 3.95 0.56 0.00 0.15 -4.97 105.19 111.08 2k52 n GLY 6 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.30 3.25 -0.13 1.61 -0.14 -1.05 -4.80 119.74 118.19 2k52 s LYS 7 Ca 0.00 -0.51 -0.14 0.00 -1.36 0.00 0.00 55.97 53.96 2k52 s LYS 7 Cb 0.00 -2.65 -0.05 0.00 -1.68 0.00 0.00 37.83 33.45 2k52 s LYS 7 CO 0.00 -0.03 0.31 -0.06 -0.76 0.00 0.00 175.35 174.81 2k52 s PHE 8 N -2.38 3.51 0.02 3.18 0.40 -1.26 -1.29 117.98 120.16 2k52 s PHE 8 Ca 0.44 0.66 -0.10 0.00 -0.60 0.00 0.00 56.93 57.32 2k52 s PHE 8 Cb -0.10 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.12 2k52 s PHE 8 CO 0.36 0.32 0.21 0.71 0.70 0.00 0.00 175.22 177.52 2k52 s TYR 9 N 0.17 -0.00 -0.11 0.36 2.02 -0.41 -4.99 117.35 114.38 2k52 s TYR 9 Ca 0.18 -0.13 -0.08 0.00 -0.37 0.00 0.00 57.07 56.67 2k52 s TYR 9 Cb -0.13 0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 2k52 s TYR 9 CO 0.05 -0.40 0.17 0.21 -1.57 0.00 0.00 175.55 174.01 2k52 s LYS 10 N -2.14 3.52 0.18 -0.62 2.20 -1.26 -1.06 119.74 120.56 2k52 s LYS 10 Ca -0.08 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2k52 s LYS 10 Cb -0.03 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.04 2k52 s LYS 10 CO -0.01 0.75 0.05 0.20 -0.36 0.00 0.00 175.35 175.98 2k52 s GLY 11 N -0.98 1.25 -0.09 5.54 0.00 -0.39 -4.77 107.32 107.89 2k52 s GLY 11 Ca 0.16 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.29 2k52 s GLY 11 CO 0.05 -1.47 -0.15 0.54 0.00 0.00 0.00 173.10 172.07 2k52 s VAL 12 N -3.86 2.95 -0.03 1.40 0.11 -0.87 -0.45 120.40 119.64 2k52 s VAL 12 Ca 0.28 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.30 2k52 s VAL 12 Cb 0.07 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 2k52 s VAL 12 CO 0.06 0.56 1.31 -0.69 -3.33 0.00 0.00 175.10 173.00 2k52 s VAL 13 N -0.19 3.97 -0.21 2.04 1.01 -0.79 -1.58 120.40 124.65 2k52 s VAL 13 Ca -0.00 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 2k52 s VAL 13 Cb -0.13 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 32.20 2k52 s VAL 13 CO 0.03 -0.00 0.20 0.35 0.00 0.00 0.00 175.10 175.68 2k52 n THR 14 N 4.64 1.55 -3.67 3.92 -2.24 0.04 -0.83 114.28 117.69 2k52 n THR 14 Ca 0.12 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.67 2k52 n THR 14 Cb 0.45 -2.02 -0.07 0.00 -2.10 0.00 0.00 70.33 66.59 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 -2.38 0.83 -0.38 -0.78 1.70 -1.24 -4.78 118.95 111.91 2k52 s ARG 15 Ca -0.29 -0.07 -0.17 0.00 -0.47 0.00 0.00 55.73 54.73 2k52 s ARG 15 Cb 0.06 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2k52 s ARG 15 CO 0.60 -0.25 0.44 0.42 -1.08 0.00 0.00 175.30 175.43 2k52 s ILE 16 N -1.44 5.09 0.38 4.99 -1.09 -1.26 -2.73 121.20 125.14 2k52 s ILE 16 Ca -0.12 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 2k52 s ILE 16 Cb -0.03 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 2k52 s ILE 16 CO 0.05 -0.29 0.59 -1.61 -1.23 0.00 0.00 174.94 172.45 2k52 s GLU 17 N 2.18 3.31 0.00 2.79 0.41 0.11 -4.99 118.70 122.51 2k52 s GLU 17 Ca 0.14 -0.44 0.11 0.00 -0.41 0.00 0.00 54.97 54.37 2k52 s GLU 17 Cb -0.16 -2.64 0.65 0.00 -1.78 0.00 0.00 34.13 30.20 2k52 s GLU 17 CO 0.13 -0.00 1.38 1.63 -0.49 0.00 0.00 175.26 177.90 2k52 n LYS 18 N -1.88 0.95 -0.07 1.61 5.02 -1.26 -2.79 118.16 119.73 2k52 n LYS 18 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2k52 n LYS 18 Cb 0.57 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.68 0.00 -0.65 2.13 0.18 -1.26 -5.12 117.16 111.76 2k52 n TYR 19 Ca 0.08 -0.14 0.00 0.00 1.88 0.00 0.00 57.90 59.72 2k52 n TYR 19 Cb 0.04 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 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 -0.16 -0.58 3.03 -7.48 0.00 -1.12 -4.60 105.19 94.28 2k52 n GLY 20 Ca 0.01 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.30 1.49 -0.14 4.61 0.00 0.24 0.05 121.76 126.71 2k52 s ALA 21 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 2k52 s ALA 21 Cb 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2k52 s ALA 21 CO 0.00 -0.05 1.10 -0.06 0.00 0.00 0.00 175.76 176.75 2k52 s PHE 22 N 0.96 3.29 -0.04 0.00 0.40 -1.10 -0.55 117.98 120.93 2k52 s PHE 22 Ca -0.08 1.38 0.06 0.00 -0.60 0.00 0.00 56.93 57.69 2k52 s PHE 22 Cb -0.15 -3.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.06 2k52 s PHE 22 CO -0.00 -0.77 -0.24 0.42 0.70 0.00 0.00 175.22 175.33 2k52 s ILE 23 N 2.65 1.91 -0.12 0.64 1.01 -0.12 -0.78 121.20 126.38 2k52 s ILE 23 Ca 0.50 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.99 2k52 s ILE 23 Cb -0.19 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 2k52 s ILE 23 CO 0.15 0.54 0.37 0.20 0.00 0.00 0.00 174.94 176.20 2k52 s ASN 24 N -0.24 6.58 -0.22 3.58 0.01 -0.62 -0.99 114.94 123.03 2k52 s ASN 24 Ca -0.00 0.68 0.09 0.00 -0.71 0.00 0.00 52.86 52.92 2k52 s ASN 24 Cb -0.12 -2.23 -0.19 0.00 0.41 0.00 0.00 41.25 39.12 2k52 s ASN 24 CO 0.02 0.10 -0.09 0.18 -1.51 0.00 0.00 177.10 175.80 2k52 n LEU 25 N 3.35 1.67 -3.95 0.60 4.77 -0.06 -2.06 117.00 121.32 2k52 n LEU 25 Ca -0.10 -0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.71 2k52 n LEU 25 Cb 0.52 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2k52 n LEU 25 CO 0.41 0.72 0.09 0.21 -1.33 0.00 0.00 177.39 177.49 2k52 s ASN 26 N -5.94 -0.05 0.29 -1.43 2.47 -1.01 -4.97 114.94 104.29 2k52 s ASN 26 Ca -0.23 -0.86 -0.04 0.00 0.42 0.00 0.00 52.86 52.15 2k52 s ASN 26 Cb 0.07 0.51 0.56 0.00 -1.45 0.00 0.00 41.25 40.95 2k52 s ASN 26 CO 0.67 -1.01 1.57 -0.08 -3.72 0.00 0.00 177.10 174.53 2k52 h GLU 27 N 2.38 0.01 -0.19 0.43 4.81 -1.97 -0.27 114.58 119.78 2k52 h GLU 27 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2k52 h GLU 27 Cb 1.24 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2k52 h GLU 27 CO 0.42 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.74 2k52 n GLN 28 N -5.56 2.47 -4.02 1.92 1.13 -1.26 -4.97 117.38 107.10 2k52 n GLN 28 Ca 0.18 -2.72 -0.31 0.00 -1.94 0.00 0.00 57.00 52.21 2k52 n GLN 28 Cb 0.59 -1.72 -0.15 0.00 0.11 0.00 0.00 30.24 29.07 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 -2.75 1.87 0.05 5.09 1.01 -0.11 -5.07 120.40 120.49 2k52 s VAL 29 Ca 0.38 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2k52 s VAL 29 Cb 0.31 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2k52 s VAL 29 CO 0.07 0.03 -0.08 -0.60 0.00 0.00 0.00 175.10 174.52 2k52 s ARG 30 N 1.26 0.56 0.05 2.72 3.52 -1.26 -0.88 118.95 124.93 2k52 s ARG 30 Ca -0.06 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 54.74 2k52 s ARG 30 Cb -0.18 -0.32 0.00 0.00 -1.56 0.00 0.00 34.95 32.89 2k52 s ARG 30 CO -0.07 0.05 0.07 0.41 -0.81 0.00 0.00 175.30 174.96 2k52 n GLY 31 N 1.36 3.09 3.23 8.12 0.00 -0.16 -3.30 105.19 117.53 2k52 n GLY 31 Ca -0.22 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 2.09 -0.32 0.99 2.96 0.46 -0.95 118.68 123.90 2k52 s LEU 32 Ca 0.05 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2k52 s LEU 32 Cb -0.00 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.29 2k52 s LEU 32 CO 0.03 0.18 0.15 -0.22 -1.32 0.00 0.00 176.35 175.18 2k52 s LEU 33 N 0.21 4.22 0.12 -0.68 2.96 0.29 -1.65 118.68 124.16 2k52 s LEU 33 Ca -0.15 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.02 2k52 s LEU 33 Cb -0.17 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 2k52 s LEU 33 CO 0.08 -0.24 0.38 -0.13 -1.32 0.00 0.00 176.35 175.12 2k52 s ARG 34 N 1.58 3.66 0.30 1.98 0.52 -1.26 -0.59 118.95 125.14 2k52 s ARG 34 Ca 0.04 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 2k52 s ARG 34 Cb -0.18 -2.89 0.49 0.00 0.52 0.00 0.00 34.95 32.90 2k52 s ARG 34 CO 0.06 0.49 1.81 -1.00 0.02 0.00 0.00 175.30 176.68 2k52 h PRO 35 N 3.09 0.57 0.00 3.54 0.13 -1.96 -2.22 132.00 135.14 2k52 h PRO 35 Ca -0.47 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2k52 h PRO 35 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2k52 h PRO 35 CO 0.71 0.64 0.00 0.54 -0.23 0.00 0.00 178.00 179.66 2k52 n ARG 36 N -4.22 0.23 -0.03 0.86 1.74 -1.26 -1.81 116.66 112.17 2k52 n ARG 36 Ca 0.01 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 2k52 n ARG 36 Cb 0.30 -1.86 0.43 0.00 -1.02 0.00 0.00 32.46 30.30 2k52 n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2k52 n ASP 37 N -2.29 1.78 -4.86 0.55 9.92 -0.84 -4.90 116.55 115.92 2k52 n ASP 37 Ca 0.03 -1.63 -0.37 0.00 -0.53 0.00 0.00 54.79 52.29 2k52 n ASP 37 Cb 0.32 -0.04 -0.06 0.00 -0.64 0.00 0.00 41.12 40.69 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 -1.91 3.57 0.00 -1.24 -1.94 -0.75 -1.00 119.30 116.03 2k52 s MET 38 Ca 0.35 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.29 2k52 s MET 38 Cb 0.20 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.83 2k52 s MET 38 CO 0.31 0.73 0.00 -0.89 -0.01 0.00 0.00 175.02 175.16 2k52 n ILE 39 N 2.08 0.00 0.05 2.53 2.08 -1.26 -4.85 119.36 119.98 2k52 n ILE 39 Ca -0.19 0.02 -0.06 0.00 0.56 0.00 0.00 62.75 63.08 2k52 n ILE 39 Cb 0.54 -1.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.32 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 0.00 -3.17 4.38 0.02 -1.94 -3.45 113.55 109.39 2k52 h SER 40 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2k52 h SER 40 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 2k52 h SER 40 CO 0.00 0.94 -0.53 -0.76 -1.14 0.00 0.00 176.83 175.34 2k52 s LEU 41 N -6.51 4.00 0.06 5.07 1.43 -1.26 -5.11 118.68 116.35 2k52 s LEU 41 Ca -0.00 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2k52 s LEU 41 Cb 0.09 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2k52 s LEU 41 CO 0.81 0.24 0.09 -0.13 0.23 0.00 0.00 176.35 177.59 2k52 s ARG 42 N 0.01 2.96 0.39 1.70 1.81 -1.26 -4.77 118.95 119.78 2k52 s ARG 42 Ca 0.07 -0.62 0.16 0.00 -1.72 0.00 0.00 55.73 53.62 2k52 s ARG 42 Cb -0.12 -2.78 1.04 0.00 -0.45 0.00 0.00 34.95 32.64 2k52 s ARG 42 CO 0.00 0.59 1.79 -0.07 -0.68 0.00 0.00 175.30 176.93 2k52 h LEU 43 N 3.50 0.50 -2.63 2.53 3.38 -1.95 0.12 115.31 120.75 2k52 h LEU 43 Ca -0.47 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2k52 h LEU 43 Cb 1.17 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2k52 h LEU 43 CO 0.65 0.14 0.00 -0.33 0.09 0.00 0.00 178.44 178.99 2k52 h GLU 44 N 0.46 0.00 -0.01 1.13 5.08 -1.97 -1.91 114.58 117.36 2k52 h GLU 44 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 2k52 h GLU 44 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2k52 h GLU 44 CO -0.29 0.00 -0.09 0.09 -1.00 0.00 0.00 179.01 177.72 2k52 n ASN 45 N -2.96 1.39 -4.82 1.42 3.02 0.01 -5.01 115.26 108.31 2k52 n ASN 45 Ca -0.02 -1.19 -0.36 0.00 -0.03 0.00 0.00 54.58 52.97 2k52 n ASN 45 Cb 0.09 0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.13 4.37 0.19 3.41 1.43 -0.72 -4.98 118.68 121.25 2k52 s LEU 46 Ca 0.08 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 54.55 2k52 s LEU 46 Cb 0.07 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 2k52 s LEU 46 CO 0.16 0.09 -0.15 0.20 0.23 0.00 0.00 176.35 176.88 2k52 s ASN 47 N -1.59 2.57 -0.04 2.29 0.01 -1.26 -4.96 114.94 111.95 2k52 s ASN 47 Ca 0.39 -0.97 -0.30 0.00 -0.71 0.00 0.00 52.86 51.27 2k52 s ASN 47 Cb -0.17 -0.14 -0.07 0.00 0.41 0.00 0.00 41.25 41.29 2k52 s ASN 47 CO 0.20 -0.14 1.82 -0.69 -1.51 0.00 0.00 177.10 176.78 2k52 s VAL 48 N -2.72 3.32 0.00 1.60 1.01 -1.26 -2.51 120.40 119.84 2k52 s VAL 48 Ca 0.20 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2k52 s VAL 48 Cb -0.02 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2k52 s VAL 48 CO 0.07 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.72 2k52 n GLY 49 N 4.44 0.73 3.72 4.51 0.00 -0.01 -5.00 105.19 113.57 2k52 n GLY 49 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.90 7.09 -0.46 1.61 1.01 -1.04 -4.75 116.67 118.22 2k52 s ASP 50 Ca 0.00 2.07 -0.27 0.00 0.71 0.00 0.00 52.55 55.06 2k52 s ASP 50 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 2k52 s ASP 50 CO 0.00 -0.44 1.00 -1.61 0.21 0.00 0.00 175.17 174.33 2k52 s GLU 51 N 0.73 3.61 -0.14 8.23 2.02 -1.26 -1.89 118.70 130.00 2k52 s GLU 51 Ca 0.57 0.31 -0.02 0.00 0.02 0.00 0.00 54.97 55.85 2k52 s GLU 51 Cb -0.30 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 29.99 2k52 s GLU 51 CO 0.31 -1.27 -0.07 0.42 0.02 0.00 0.00 175.26 174.67 2k52 s ILE 52 N 3.97 3.61 -0.29 -1.63 1.01 0.40 -4.93 121.20 123.34 2k52 s ILE 52 Ca 0.41 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 2k52 s ILE 52 Cb -0.09 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2k52 s ILE 52 CO 0.28 0.52 0.83 -0.63 0.00 0.00 0.00 174.94 175.93 2k52 s ILE 53 N 0.22 4.78 0.14 2.92 1.01 -1.26 -1.26 121.20 127.74 2k52 s ILE 53 Ca -0.04 1.34 0.02 0.00 0.00 0.00 0.00 60.65 61.96 2k52 s ILE 53 Cb -0.14 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2k52 s ILE 53 CO 0.04 -0.22 -0.03 0.68 0.00 0.00 0.00 174.94 175.41 2k52 s VAL 54 N 2.99 0.66 -0.11 2.92 -7.23 -0.22 -4.32 120.40 115.09 2k52 s VAL 54 Ca 0.34 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2k52 s VAL 54 Cb -0.14 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 2k52 s VAL 54 CO 0.11 -0.66 -0.02 -1.58 -0.31 0.00 0.00 175.10 172.64 2k52 s GLN 55 N -3.88 3.23 -0.02 4.82 0.74 0.07 -1.29 119.66 123.33 2k52 s GLN 55 Ca 0.18 -0.47 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 2k52 s GLN 55 Cb 0.06 -2.82 -0.05 0.00 1.10 0.00 0.00 33.01 31.30 2k52 s GLN 55 CO -0.00 0.51 1.35 0.00 -0.55 0.00 0.00 175.29 176.59 2k52 s ALA 56 N -0.35 3.56 -0.02 1.58 0.00 -0.41 -1.19 121.76 124.92 2k52 s ALA 56 Ca 0.06 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 2k52 s ALA 56 Cb -0.12 -3.58 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 2k52 s ALA 56 CO 0.02 -0.88 -0.02 0.82 0.00 0.00 0.00 175.76 175.71 2k52 h ILE 57 N 4.96 0.00 -3.36 0.00 2.04 -1.25 0.43 117.51 120.32 2k52 h ILE 57 Ca -0.37 -0.17 -0.54 0.00 1.00 0.00 0.00 64.86 64.78 2k52 h ILE 57 Cb 1.17 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 36.91 2k52 h ILE 57 CO 0.90 0.00 -0.82 -1.81 0.00 0.00 0.00 178.15 176.42 2k52 s ASP 58 N -3.67 2.05 -0.42 1.72 1.01 -1.25 -4.12 116.67 111.99 2k52 s ASP 58 Ca -0.01 -0.35 -0.09 0.00 0.71 0.00 0.00 52.55 52.81 2k52 s ASP 58 Cb 0.00 -0.93 0.08 0.00 1.01 0.00 0.00 42.92 43.08 2k52 s ASP 58 CO 0.02 0.02 0.26 -0.69 0.21 0.00 0.00 175.17 174.99 2k52 s VAL 59 N 0.81 4.27 -0.46 -1.27 1.01 -1.26 -2.45 120.40 121.06 2k52 s VAL 59 Ca -0.11 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 2k52 s VAL 59 Cb -0.15 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.72 2k52 s VAL 59 CO 0.02 -0.50 0.33 -0.13 0.00 0.00 0.00 175.10 174.82 2k52 s ARG 60 N 1.44 2.66 0.25 2.72 0.52 -1.18 -4.93 118.95 120.42 2k52 s ARG 60 Ca 0.03 -1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 53.62 2k52 s ARG 60 Cb -0.23 -3.93 0.30 0.00 0.52 0.00 0.00 34.95 31.61 2k52 s ARG 60 CO 0.02 -1.08 1.89 -1.00 0.02 0.00 0.00 175.30 175.16 2k52 h PRO 61 N 8.52 1.15 0.00 3.54 0.13 -1.95 0.56 132.00 143.96 2k52 h PRO 61 Ca -0.24 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 2k52 h PRO 61 Cb 1.09 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2k52 h PRO 61 CO 0.84 0.76 -0.04 1.05 -0.23 0.00 0.00 178.00 180.38 2k52 h GLU 62 N 1.19 0.00 0.00 0.86 4.11 -1.97 -2.73 114.58 116.04 2k52 h GLU 62 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2k52 h GLU 62 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k52 h GLU 62 CO -0.12 0.04 -1.57 1.63 0.07 0.00 0.00 179.01 179.05 2k52 n LYS 63 N -3.91 0.73 -0.57 1.06 4.76 -0.41 -4.99 118.16 114.83 2k52 n LYS 63 Ca -0.03 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2k52 n LYS 63 Cb 0.12 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.95 0.00 -4.31 1.97 1.74 0.18 -4.95 116.66 109.35 2k52 n ARG 64 Ca -0.02 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 2k52 n ARG 64 Cb 0.40 -3.92 -0.08 0.00 -1.02 0.00 0.00 32.46 27.84 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 -0.67 2.23 0.01 5.56 2.02 -1.24 -4.49 118.70 122.11 2k52 s GLU 65 Ca 0.00 -1.46 0.03 0.00 0.02 0.00 0.00 54.97 53.56 2k52 s GLU 65 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 2k52 s GLU 65 CO 0.00 0.36 -0.10 0.42 0.02 0.00 0.00 175.26 175.95 2k52 s ILE 66 N -2.35 0.79 0.02 -1.63 1.01 -1.21 -3.11 121.20 114.72 2k52 s ILE 66 Ca 0.31 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 2k52 s ILE 66 Cb -0.06 -0.69 -0.05 0.00 0.01 0.00 0.00 42.46 41.67 2k52 s ILE 66 CO 0.19 0.11 0.77 -1.81 0.00 0.00 0.00 174.94 174.20 2k52 s ASP 67 N -0.54 7.18 0.04 3.58 1.01 -1.02 -0.41 116.67 126.51 2k52 s ASP 67 Ca 0.02 1.42 0.03 0.00 0.71 0.00 0.00 52.55 54.73 2k52 s ASP 67 Cb -0.05 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2k52 s ASP 67 CO 0.00 -0.03 -0.01 -0.36 0.21 0.00 0.00 175.17 174.98 2k52 s PHE 68 N 0.19 3.00 -0.05 4.23 0.08 -0.66 -0.69 117.98 124.08 2k52 s PHE 68 Ca 0.39 0.01 0.04 0.00 0.12 0.00 0.00 56.93 57.49 2k52 s PHE 68 Cb -0.20 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 2k52 s PHE 68 CO 0.22 0.45 -0.16 0.21 -0.10 0.00 0.00 175.22 175.85 2k52 s LYS 69 N -1.86 1.85 -0.04 0.44 2.20 -0.33 -4.24 119.74 117.77 2k52 s LYS 69 Ca 0.22 -0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 55.04 2k52 s LYS 69 Cb -0.12 -1.56 -0.05 0.00 -1.51 0.00 0.00 37.83 34.60 2k52 s LYS 69 CO 0.13 0.18 0.63 -0.47 -0.36 0.00 0.00 175.35 175.46 2k52 s TYR 70 N 0.23 3.63 0.06 4.03 6.14 -0.17 -0.75 117.35 130.52 2k52 s TYR 70 Ca -0.08 1.20 0.08 0.00 0.64 0.00 0.00 57.07 58.91 2k52 s TYR 70 Cb -0.13 -2.69 -0.03 0.00 0.42 0.00 0.00 41.96 39.54 2k52 s TYR 70 CO 0.03 0.23 -0.22 0.96 0.64 0.00 0.00 175.55 177.20 2k52 s ILE 71 N 0.26 1.76 -0.36 3.14 -4.36 -1.26 -4.29 121.20 116.09 2k52 s ILE 71 Ca 0.33 -1.31 0.23 0.00 -0.26 0.00 0.00 60.65 59.64 2k52 s ILE 71 Cb -0.18 -1.54 0.23 0.00 1.25 0.00 0.00 42.46 42.22 2k52 s ILE 71 CO 0.17 0.17 1.69 -2.65 0.24 0.00 0.00 174.94 174.56 2k52 n PRO 72 N 1.66 0.17 -2.63 0.37 -0.02 -1.26 -4.21 135.00 129.08 2k52 n PRO 72 Ca -0.18 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 2k52 n PRO 72 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2k52 n PRO 72 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k52 n LEU 73 N -2.25 5.02 -0.85 2.45 0.00 -1.26 -5.17 117.00 114.94 2k52 n LEU 73 Ca 0.01 -4.02 0.12 0.00 0.00 0.00 0.00 56.01 52.12 2k52 n LEU 73 Cb 0.15 -1.73 0.20 0.00 0.00 0.00 0.00 43.42 42.04 2k52 n LEU 73 CO 0.15 0.26 0.69 -0.62 0.00 0.00 0.00 177.39 177.88