#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 3.23 -0.22 6.12 2.15 -1.26 -5.04 116.67 121.65 2k52 s ASP 2 Ca 0.00 -0.54 -0.05 0.00 0.43 0.00 0.00 52.55 52.40 2k52 s ASP 2 Cb 0.00 -0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.26 2k52 s ASP 2 CO 0.00 0.28 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.57 2k52 s VAL 3 N -0.77 3.69 0.08 1.11 1.01 -1.26 -5.11 120.40 119.15 2k52 s VAL 3 Ca 0.12 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2k52 s VAL 3 Cb -0.10 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2k52 s VAL 3 CO 0.02 0.41 0.09 -1.61 0.00 0.00 0.00 175.10 174.00 2k52 s GLU 4 N 1.35 2.91 -0.42 2.72 2.02 -1.26 -4.93 118.70 121.09 2k52 s GLU 4 Ca 0.04 -0.68 -0.27 0.00 0.02 0.00 0.00 54.97 54.08 2k52 s GLU 4 Cb -0.15 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 2k52 s GLU 4 CO -0.00 0.57 2.01 -1.25 0.02 0.00 0.00 175.26 176.61 2k52 s PRO 5 N -2.40 2.85 0.00 0.39 0.04 -1.26 -2.46 135.00 132.16 2k52 s PRO 5 Ca 0.30 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2k52 s PRO 5 Cb -0.12 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2k52 s PRO 5 CO 0.22 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.24 2k52 n GLY 6 N 5.67 1.23 3.93 0.56 0.00 0.27 -4.95 105.19 111.90 2k52 n GLY 6 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 3.53 -0.24 1.61 -0.14 -1.03 -4.87 119.74 118.59 2k52 s LYS 7 Ca 0.00 -0.30 -0.15 0.00 -1.36 0.00 0.00 55.97 54.17 2k52 s LYS 7 Cb 0.00 -2.76 -0.04 0.00 -1.68 0.00 0.00 37.83 33.35 2k52 s LYS 7 CO 0.00 0.31 0.35 -0.06 -0.76 0.00 0.00 175.35 175.19 2k52 s PHE 8 N -2.02 3.30 0.10 3.18 0.40 -1.26 -1.94 117.98 119.74 2k52 s PHE 8 Ca 0.40 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2k52 s PHE 8 Cb -0.10 -2.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.87 2k52 s PHE 8 CO 0.31 -0.11 -0.02 0.71 0.70 0.00 0.00 175.22 176.81 2k52 s TYR 9 N 1.67 0.79 -0.11 0.36 2.02 -0.56 -5.02 117.35 116.49 2k52 s TYR 9 Ca 0.15 -1.05 -0.01 0.00 -0.37 0.00 0.00 57.07 55.79 2k52 s TYR 9 Cb -0.15 -0.49 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 2k52 s TYR 9 CO 0.09 -0.32 -0.07 0.21 -1.57 0.00 0.00 175.55 173.88 2k52 s LYS 10 N -3.92 3.24 0.18 -0.62 2.20 -1.26 -0.14 119.74 119.41 2k52 s LYS 10 Ca 0.14 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 2k52 s LYS 10 Cb 0.07 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 2k52 s LYS 10 CO -0.04 0.40 0.16 0.20 -0.36 0.00 0.00 175.35 175.71 2k52 s GLY 11 N -0.11 1.06 -0.08 5.54 0.00 -0.14 -4.62 107.32 108.97 2k52 s GLY 11 Ca 0.01 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.32 2k52 s GLY 11 CO 0.03 -1.23 -0.14 0.54 0.00 0.00 0.00 173.10 172.30 2k52 s VAL 12 N -4.08 3.08 0.01 1.40 0.11 -0.44 -0.03 120.40 120.45 2k52 s VAL 12 Ca 0.29 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 2k52 s VAL 12 Cb 0.06 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.62 2k52 s VAL 12 CO 0.06 0.56 1.28 -0.69 -3.33 0.00 0.00 175.10 172.99 2k52 s VAL 13 N -0.28 3.94 -0.19 2.04 1.01 -0.28 -1.10 120.40 125.54 2k52 s VAL 13 Ca 0.02 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.37 2k52 s VAL 13 Cb -0.13 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.25 2k52 s VAL 13 CO 0.03 0.04 -0.14 0.35 0.00 0.00 0.00 175.10 175.37 2k52 n THR 14 N 4.39 1.14 -3.78 3.92 -2.24 -0.40 -1.06 114.28 116.24 2k52 n THR 14 Ca 0.11 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2k52 n THR 14 Cb 0.45 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.40 0.46 -0.26 -0.78 1.70 -1.24 -4.71 118.95 111.71 2k52 s ARG 15 Ca -0.24 0.12 -0.09 0.00 -0.47 0.00 0.00 55.73 55.05 2k52 s ARG 15 Cb 0.07 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 2k52 s ARG 15 CO 0.49 -0.09 0.12 0.42 -1.08 0.00 0.00 175.30 175.16 2k52 s ILE 16 N -0.48 4.70 0.54 4.99 -1.09 -1.26 -1.83 121.20 126.77 2k52 s ILE 16 Ca -0.06 -0.04 0.09 0.00 -2.23 0.00 0.00 60.65 58.41 2k52 s ILE 16 Cb -0.04 -3.22 0.07 0.00 -1.58 0.00 0.00 42.46 37.69 2k52 s ILE 16 CO 0.02 0.30 0.74 -1.61 -1.23 0.00 0.00 174.94 173.16 2k52 s GLU 17 N 1.67 2.43 0.04 2.79 0.41 0.10 -5.01 118.70 121.13 2k52 s GLU 17 Ca 0.07 -1.51 0.27 0.00 -0.41 0.00 0.00 54.97 53.39 2k52 s GLU 17 Cb -0.15 -2.67 0.95 0.00 -1.78 0.00 0.00 34.13 30.48 2k52 s GLU 17 CO 0.07 -0.72 1.75 1.63 -0.49 0.00 0.00 175.26 177.49 2k52 n LYS 18 N -2.16 0.05 -0.00 1.61 5.02 -1.26 -3.78 118.16 117.64 2k52 n LYS 18 Ca 0.14 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2k52 n LYS 18 Cb 0.61 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.64 0.00 -2.40 2.13 4.11 -1.26 -5.10 117.16 113.00 2k52 n TYR 19 Ca 0.06 -0.44 0.00 0.00 -0.00 0.00 0.00 57.90 57.52 2k52 n TYR 19 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.65 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 -0.44 -0.34 2.91 -7.48 0.00 -1.25 -4.58 105.19 94.02 2k52 n GLY 20 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.35 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 0.60 0.00 4.61 0.00 -0.34 0.03 121.76 125.66 2k52 s ALA 21 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2k52 s ALA 21 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2k52 s ALA 21 CO 0.00 0.03 1.08 -0.06 0.00 0.00 0.00 175.76 176.80 2k52 s PHE 22 N 0.64 3.52 -0.07 0.00 0.08 -0.76 -0.48 117.98 120.92 2k52 s PHE 22 Ca -0.08 1.51 0.04 0.00 0.12 0.00 0.00 56.93 58.52 2k52 s PHE 22 Cb -0.11 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 2k52 s PHE 22 CO -0.00 -0.58 -0.19 0.42 -0.10 0.00 0.00 175.22 174.77 2k52 s ILE 23 N 1.27 1.60 -0.27 0.64 1.01 -0.39 -1.28 121.20 123.78 2k52 s ILE 23 Ca 0.54 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 2k52 s ILE 23 Cb -0.24 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2k52 s ILE 23 CO 0.27 0.46 0.28 0.20 0.00 0.00 0.00 174.94 176.14 2k52 s ASN 24 N 0.26 6.14 0.15 3.58 0.01 -0.26 -0.68 114.94 124.15 2k52 s ASN 24 Ca -0.11 0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.28 2k52 s ASN 24 Cb -0.15 -2.16 -0.14 0.00 0.41 0.00 0.00 41.25 39.21 2k52 s ASN 24 CO 0.05 -0.10 1.32 -0.07 -1.51 0.00 0.00 177.10 176.78 2k52 h LEU 25 N 8.40 0.00 -7.39 0.60 3.38 -1.35 -1.15 115.31 117.80 2k52 h LEU 25 Ca -0.34 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.66 2k52 h LEU 25 Cb 1.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 2k52 h LEU 25 CO 0.60 0.90 0.24 0.21 0.09 0.00 0.00 178.44 180.48 2k52 s ASN 26 N -6.67 -0.43 0.50 -0.43 2.47 -1.07 -4.84 114.94 104.46 2k52 s ASN 26 Ca 0.01 -0.24 0.29 0.00 0.42 0.00 0.00 52.86 53.35 2k52 s ASN 26 Cb 0.10 0.64 1.39 0.00 -1.45 0.00 0.00 41.25 41.92 2k52 s ASN 26 CO 0.80 -1.10 1.84 -0.08 -3.72 0.00 0.00 177.10 174.85 2k52 h GLU 27 N 2.00 0.11 -0.02 0.43 4.81 -2.03 0.66 114.58 120.55 2k52 h GLU 27 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k52 h GLU 27 Cb 1.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2k52 h GLU 27 CO 0.32 0.08 -0.39 1.04 -0.73 0.00 0.00 179.01 179.33 2k52 n GLN 28 N -4.34 1.42 -3.99 1.92 1.13 -1.26 -4.91 117.38 107.35 2k52 n GLN 28 Ca 0.22 -1.10 -0.30 0.00 -1.94 0.00 0.00 57.00 53.88 2k52 n GLN 28 Cb 1.00 -1.44 -0.16 0.00 0.11 0.00 0.00 30.24 29.74 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 -2.31 1.52 0.07 5.09 1.01 0.22 -5.10 120.40 120.90 2k52 s VAL 29 Ca 0.19 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2k52 s VAL 29 Cb 0.17 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2k52 s VAL 29 CO 0.51 0.33 -0.09 -0.60 0.00 0.00 0.00 175.10 175.25 2k52 s ARG 30 N 1.49 0.68 0.00 2.72 3.52 -1.26 -1.05 118.95 125.05 2k52 s ARG 30 Ca 0.03 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 2k52 s ARG 30 Cb -0.14 -0.40 0.00 0.00 -1.56 0.00 0.00 34.95 32.85 2k52 s ARG 30 CO -0.09 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 2k52 n GLY 31 N 1.02 2.96 2.95 8.12 0.00 0.14 -4.23 105.19 116.16 2k52 n GLY 31 Ca -0.20 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 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 1.37 -0.21 0.99 2.96 0.86 -1.26 118.68 123.39 2k52 s LEU 32 Ca 0.00 -0.31 -0.16 0.00 -0.22 0.00 0.00 54.13 53.43 2k52 s LEU 32 Cb 0.00 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 2k52 s LEU 32 CO 0.00 -0.06 0.42 -0.22 -1.32 0.00 0.00 176.35 175.17 2k52 s LEU 33 N 1.34 4.13 -0.14 -0.68 2.96 0.37 -0.88 118.68 125.78 2k52 s LEU 33 Ca -0.02 0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 54.33 2k52 s LEU 33 Cb -0.14 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2k52 s LEU 33 CO -0.04 -0.12 0.12 -0.13 -1.32 0.00 0.00 176.35 174.86 2k52 s ARG 34 N 1.51 3.66 0.27 1.98 0.52 -1.24 -1.20 118.95 124.46 2k52 s ARG 34 Ca 0.19 -0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.20 2k52 s ARG 34 Cb -0.15 -3.24 0.41 0.00 0.52 0.00 0.00 34.95 32.49 2k52 s ARG 34 CO 0.08 0.61 1.90 -1.00 0.02 0.00 0.00 175.30 176.91 2k52 h PRO 35 N 5.58 1.15 0.00 3.54 0.13 -1.95 -0.94 132.00 139.51 2k52 h PRO 35 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2k52 h PRO 35 Cb 1.20 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2k52 h PRO 35 CO 0.64 0.76 0.00 0.54 -0.23 0.00 0.00 178.00 179.71 2k52 n ARG 36 N -4.47 0.03 -0.20 0.86 1.74 -1.26 -1.41 116.66 111.95 2k52 n ARG 36 Ca 0.14 0.18 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2k52 n ARG 36 Cb 0.15 -1.55 0.27 0.00 -1.02 0.00 0.00 32.46 30.31 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 -1.61 2.91 -4.88 0.55 8.00 -0.36 -4.93 116.55 116.23 2k52 n ASP 37 Ca 0.05 -1.93 -0.33 0.00 0.71 0.00 0.00 54.79 53.29 2k52 n ASP 37 Cb 0.25 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.48 3.76 -0.18 -1.24 -1.94 -0.50 -1.02 119.30 116.71 2k52 s MET 38 Ca 0.37 0.18 -0.18 0.00 -1.71 0.00 0.00 55.69 54.36 2k52 s MET 38 Cb 0.21 -2.79 -0.06 0.00 2.01 0.00 0.00 34.83 34.19 2k52 s MET 38 CO 0.29 0.42 -0.34 -0.89 -0.01 0.00 0.00 175.02 174.48 2k52 n ILE 39 N 0.21 1.50 -0.09 2.53 2.08 -1.26 -4.93 119.36 119.40 2k52 n ILE 39 Ca -0.02 0.13 -0.17 0.00 0.56 0.00 0.00 62.75 63.25 2k52 n ILE 39 Cb 0.52 -2.33 -0.07 0.00 -0.75 0.00 0.00 39.64 37.02 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 -4.44 1.68 -4.69 4.38 7.64 -1.26 -5.00 113.62 111.93 2k52 n SER 40 Ca -0.15 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.43 2k52 n SER 40 Cb 0.52 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 -6.66 4.24 0.23 -3.43 1.43 -1.26 -5.05 118.68 108.18 2k52 s LEU 41 Ca -0.24 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.22 2k52 s LEU 41 Cb 0.08 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 2k52 s LEU 41 CO 0.33 -0.46 0.65 -0.13 0.23 0.00 0.00 176.35 176.97 2k52 s ARG 42 N 2.08 4.03 0.40 1.70 1.81 -1.26 -4.86 118.95 122.85 2k52 s ARG 42 Ca 0.48 0.61 0.14 0.00 -1.72 0.00 0.00 55.73 55.24 2k52 s ARG 42 Cb -0.18 -2.73 1.00 0.00 -0.45 0.00 0.00 34.95 32.59 2k52 s ARG 42 CO 0.17 0.34 1.89 -0.07 -0.68 0.00 0.00 175.30 176.95 2k52 h LEU 43 N 2.97 0.47 -1.79 2.53 3.38 -1.94 0.24 115.31 121.17 2k52 h LEU 43 Ca -0.48 0.03 0.18 0.00 0.09 0.00 0.00 57.88 57.71 2k52 h LEU 43 Cb 1.18 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 2k52 h LEU 43 CO 0.66 0.23 0.51 -0.33 0.09 0.00 0.00 178.44 179.60 2k52 h GLU 44 N 0.49 0.19 -0.02 1.13 5.08 -1.98 -1.44 114.58 118.03 2k52 h GLU 44 Ca 0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2k52 h GLU 44 Cb 0.90 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2k52 h GLU 44 CO -0.16 0.13 -0.31 0.09 -1.00 0.00 0.00 179.01 177.76 2k52 n ASN 45 N -4.41 2.31 -4.73 1.42 3.02 0.05 -4.93 115.26 108.00 2k52 n ASN 45 Ca 0.15 -1.66 -0.38 0.00 -0.03 0.00 0.00 54.58 52.66 2k52 n ASN 45 Cb 0.68 0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 40.10 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 -2.32 4.30 0.34 3.41 1.43 -0.54 -4.99 118.68 120.32 2k52 s LEU 46 Ca 0.22 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 2k52 s LEU 46 Cb 0.19 -2.82 -0.06 0.00 0.03 0.00 0.00 46.19 43.53 2k52 s LEU 46 CO 0.48 -0.01 0.06 0.20 0.23 0.00 0.00 176.35 177.31 2k52 s ASN 47 N 0.56 2.50 -0.11 2.29 0.01 -1.26 -4.93 114.94 114.01 2k52 s ASN 47 Ca 0.29 -1.41 -0.29 0.00 -0.71 0.00 0.00 52.86 50.74 2k52 s ASN 47 Cb -0.16 -0.03 -0.05 0.00 0.41 0.00 0.00 41.25 41.41 2k52 s ASN 47 CO 0.13 -0.64 1.82 -0.69 -1.51 0.00 0.00 177.10 176.22 2k52 s VAL 48 N -3.26 3.37 0.00 1.60 1.01 -1.26 -2.32 120.40 119.54 2k52 s VAL 48 Ca 0.35 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2k52 s VAL 48 Cb 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2k52 s VAL 48 CO 0.15 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2k52 n GLY 49 N 4.67 1.62 3.60 4.51 0.00 -0.22 -5.02 105.19 114.36 2k52 n GLY 49 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 5.70 -0.60 1.61 1.01 -0.98 -4.75 116.67 116.73 2k52 s ASP 50 Ca 0.00 1.63 -0.22 0.00 0.71 0.00 0.00 52.55 54.67 2k52 s ASP 50 Cb 0.00 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.47 2k52 s ASP 50 CO 0.00 -1.80 0.89 -1.61 0.21 0.00 0.00 175.17 172.86 2k52 s GLU 51 N 5.94 3.18 -0.06 8.23 2.02 -1.26 -1.12 118.70 135.62 2k52 s GLU 51 Ca 0.90 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 55.21 2k52 s GLU 51 Cb -0.28 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.76 2k52 s GLU 51 CO 0.34 -1.61 -0.07 0.42 0.02 0.00 0.00 175.26 174.36 2k52 s ILE 52 N 3.74 3.68 -0.46 -1.63 1.01 0.95 -4.90 121.20 123.59 2k52 s ILE 52 Ca 0.23 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 2k52 s ILE 52 Cb -0.16 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.83 2k52 s ILE 52 CO 0.13 0.59 0.91 -0.63 0.00 0.00 0.00 174.94 175.94 2k52 s ILE 53 N -0.82 4.49 0.10 2.92 1.01 -1.26 -0.97 121.20 126.67 2k52 s ILE 53 Ca 0.13 0.72 0.09 0.00 0.00 0.00 0.00 60.65 61.58 2k52 s ILE 53 Cb -0.11 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 2k52 s ILE 53 CO 0.02 -0.82 -0.22 0.68 0.00 0.00 0.00 174.94 174.60 2k52 s VAL 54 N 3.70 1.80 -0.19 2.92 -7.23 0.80 -3.65 120.40 118.55 2k52 s VAL 54 Ca 0.36 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 2k52 s VAL 54 Cb -0.10 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 2k52 s VAL 54 CO 0.26 0.01 0.17 -1.58 -0.31 0.00 0.00 175.10 173.65 2k52 s GLN 55 N -1.80 4.20 -0.50 4.82 0.74 -0.23 -1.50 119.66 125.38 2k52 s GLN 55 Ca 0.08 -0.15 -0.28 0.00 0.05 0.00 0.00 55.36 55.06 2k52 s GLN 55 Cb -0.10 -3.43 -0.00 0.00 1.10 0.00 0.00 33.01 30.58 2k52 s GLN 55 CO 0.04 0.27 1.63 0.00 -0.55 0.00 0.00 175.29 176.68 2k52 s ALA 56 N 0.44 2.67 0.04 1.58 0.00 -0.82 -0.62 121.76 125.05 2k52 s ALA 56 Ca 0.10 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2k52 s ALA 56 Cb -0.12 -4.12 -0.16 0.00 0.00 0.00 0.00 23.12 18.72 2k52 s ALA 56 CO -0.00 -3.07 1.33 0.82 0.00 0.00 0.00 175.76 174.84 2k52 h ILE 57 N 6.63 0.00 -3.94 0.00 2.04 -0.25 0.77 117.51 122.76 2k52 h ILE 57 Ca -0.28 -0.09 -0.28 0.00 1.00 0.00 0.00 64.86 65.20 2k52 h ILE 57 Cb 1.13 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.98 2k52 h ILE 57 CO 1.14 0.00 -0.74 -1.81 0.00 0.00 0.00 178.15 176.74 2k52 s ASP 58 N -3.87 0.73 -0.31 1.72 1.01 -1.24 -4.03 116.67 110.68 2k52 s ASP 58 Ca -0.15 -0.39 -0.02 0.00 0.71 0.00 0.00 52.55 52.70 2k52 s ASP 58 Cb 0.02 0.01 0.05 0.00 1.01 0.00 0.00 42.92 44.01 2k52 s ASP 58 CO 0.46 -0.12 0.01 -0.69 0.21 0.00 0.00 175.17 175.04 2k52 s VAL 59 N -0.96 2.98 -0.61 -1.27 1.01 -1.26 -1.04 120.40 119.25 2k52 s VAL 59 Ca -0.06 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.31 2k52 s VAL 59 Cb -0.07 -2.74 0.14 0.00 0.00 0.00 0.00 36.38 33.70 2k52 s VAL 59 CO 0.00 -0.15 0.63 -0.13 0.00 0.00 0.00 175.10 175.45 2k52 s ARG 60 N 1.24 3.12 0.07 2.72 0.52 0.24 -4.97 118.95 121.89 2k52 s ARG 60 Ca -0.04 -1.70 -0.34 0.00 -0.52 0.00 0.00 55.73 53.12 2k52 s ARG 60 Cb -0.20 -4.33 -0.18 0.00 0.52 0.00 0.00 34.95 30.76 2k52 s ARG 60 CO -0.01 -1.41 1.60 -1.00 0.02 0.00 0.00 175.30 174.50 2k52 h PRO 61 N 8.82 -0.99 -0.76 3.54 0.13 -1.96 0.48 132.00 141.25 2k52 h PRO 61 Ca -0.22 0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.93 2k52 h PRO 61 Cb 1.08 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2k52 h PRO 61 CO 1.02 -0.66 0.28 1.05 -0.23 0.00 0.00 178.00 179.46 2k52 h GLU 62 N -1.02 1.16 0.00 0.86 4.11 -1.98 -2.67 114.58 115.04 2k52 h GLU 62 Ca -0.09 -0.22 0.00 0.00 0.07 0.00 0.00 59.36 59.12 2k52 h GLU 62 Cb 0.82 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2k52 h GLU 62 CO 0.11 0.96 0.00 0.87 0.07 0.00 0.00 179.01 181.02 2k52 h LYS 63 N 1.12 0.00 -2.10 1.06 1.79 -1.97 -3.47 116.57 113.01 2k52 h LYS 63 Ca 0.25 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.34 2k52 h LYS 63 Cb 0.25 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.84 2k52 h LYS 63 CO -0.02 0.00 -0.44 0.54 -1.08 0.00 0.00 179.45 178.45 2k52 n ARG 64 N -2.55 -1.44 -4.41 3.15 1.74 0.17 -4.99 116.66 108.33 2k52 n ARG 64 Ca 0.05 0.99 -0.34 0.00 -0.77 0.00 0.00 57.85 57.79 2k52 n ARG 64 Cb 0.45 -5.46 -0.14 0.00 -1.02 0.00 0.00 32.46 26.29 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 -4.50 3.39 -0.23 5.56 2.02 -1.03 -4.96 118.70 118.96 2k52 s GLU 65 Ca 0.00 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 2k52 s GLU 65 Cb 0.00 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.46 2k52 s GLU 65 CO 0.00 0.06 -0.09 0.42 0.02 0.00 0.00 175.26 175.67 2k52 s ILE 66 N 0.78 2.78 0.09 -1.63 1.01 -1.26 -0.59 121.20 122.37 2k52 s ILE 66 Ca -0.04 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.47 2k52 s ILE 66 Cb -0.15 -2.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 2k52 s ILE 66 CO 0.01 0.33 0.76 -1.81 0.00 0.00 0.00 174.94 174.23 2k52 s ASP 67 N 1.35 7.28 0.13 3.58 1.01 -0.20 -0.09 116.67 129.71 2k52 s ASP 67 Ca 0.02 1.52 0.09 0.00 0.71 0.00 0.00 52.55 54.89 2k52 s ASP 67 Cb -0.15 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2k52 s ASP 67 CO -0.06 0.10 -0.15 -0.36 0.21 0.00 0.00 175.17 174.91 2k52 s PHE 68 N -0.52 2.59 0.04 4.23 0.08 -0.06 0.52 117.98 124.86 2k52 s PHE 68 Ca 0.37 -0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.25 2k52 s PHE 68 Cb -0.21 -1.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 2k52 s PHE 68 CO 0.24 0.43 -0.17 0.21 -0.10 0.00 0.00 175.22 175.83 2k52 s LYS 69 N -2.33 1.15 -0.30 0.44 2.20 0.20 -3.62 119.74 117.50 2k52 s LYS 69 Ca 0.20 -0.83 -0.22 0.00 -0.36 0.00 0.00 55.97 54.76 2k52 s LYS 69 Cb -0.10 -1.21 -0.00 0.00 -1.51 0.00 0.00 37.83 35.00 2k52 s LYS 69 CO 0.12 0.31 0.73 -0.47 -0.36 0.00 0.00 175.35 175.68 2k52 s TYR 70 N -0.80 3.22 -0.13 4.03 5.04 -0.19 -1.07 117.35 127.44 2k52 s TYR 70 Ca 0.04 0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 55.42 2k52 s TYR 70 Cb -0.08 -3.12 -0.03 0.00 0.35 0.00 0.00 41.96 39.08 2k52 s TYR 70 CO 0.01 -0.52 -0.07 0.96 -1.34 0.00 0.00 175.55 174.60 2k52 s ILE 71 N 2.82 3.66 -0.83 3.14 -4.36 -1.24 -4.28 121.20 120.11 2k52 s ILE 71 Ca 0.30 -0.45 -0.18 0.00 -0.26 0.00 0.00 60.65 60.06 2k52 s ILE 71 Cb -0.14 -2.57 -0.13 0.00 1.25 0.00 0.00 42.46 40.87 2k52 s ILE 71 CO 0.12 0.52 1.98 -2.65 0.24 0.00 0.00 174.94 175.15 2k52 n PRO 72 N 3.24 1.68 -3.55 0.37 -0.02 -1.26 -4.87 135.00 130.59 2k52 n PRO 72 Ca -0.18 -1.80 -0.41 0.00 -2.02 0.00 0.00 63.50 59.10 2k52 n PRO 72 Cb 0.53 -2.84 -0.11 0.00 -0.02 0.00 0.00 33.50 31.06 2k52 n PRO 72 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k52 s LEU 73 N 0.99 4.59 0.00 2.45 0.20 -1.26 -5.24 118.68 120.41 2k52 s LEU 73 Ca 0.53 -0.62 0.04 0.00 0.69 0.00 0.00 54.13 54.77 2k52 s LEU 73 Cb 0.14 -2.10 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 2k52 s LEU 73 CO 0.08 -0.29 0.64 -1.84 -0.29 0.00 0.00 176.35 174.64