#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0x n SER 2 N 0.00 -0.56 -3.39 1.61 3.41 -1.26 -5.19 113.62 108.24 2p0x n SER 2 Ca 0.00 -1.48 -0.17 0.00 -0.26 0.00 0.00 58.87 56.96 2p0x n SER 2 Cb 0.00 0.95 -0.04 0.00 -0.26 0.00 0.00 64.21 64.87 2p0x n SER 2 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2p0x n PHE 3 N -0.16 0.60 0.08 7.33 3.72 -1.26 -5.07 117.46 122.72 2p0x n PHE 3 Ca -0.02 -1.33 0.02 0.00 -0.05 0.00 0.00 57.45 56.07 2p0x n PHE 3 Cb 0.17 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 2p0x n PHE 3 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2p0x n ARG 4 N -0.66 3.38 -1.16 -1.08 0.63 -1.26 -4.99 116.66 111.52 2p0x n ARG 4 Ca -0.11 -0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.60 2p0x n ARG 4 Cb 0.34 -0.84 -0.16 0.00 0.45 0.00 0.00 32.46 32.25 2p0x n ARG 4 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2p0x n VAL 5 N -1.31 0.00 -0.10 5.15 0.24 -1.26 -4.66 118.33 116.38 2p0x n VAL 5 Ca 0.00 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.34 61.80 2p0x n VAL 5 Cb 0.07 -0.11 -0.12 0.00 -1.47 0.00 0.00 33.84 32.21 2p0x n VAL 5 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2p0x n LYS 6 N 4.90 0.64 -0.11 7.34 4.81 -1.26 -5.00 118.16 129.48 2p0x n LYS 6 Ca 0.52 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 2p0x n LYS 6 Cb 0.08 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.56 2p0x n LYS 6 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2p0x n PRO 7 N -3.74 0.57 -0.83 1.64 -0.04 -1.26 -5.02 135.00 126.32 2p0x n PRO 7 Ca -0.44 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.67 2p0x n PRO 7 Cb 0.93 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.50 2p0x n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p0x n VAL 9 N -3.89 0.00 0.70 0.00 0.24 -1.26 -4.10 118.33 110.01 2p0x n VAL 9 Ca -0.00 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.42 2p0x n VAL 9 Cb 0.67 0.14 0.39 0.00 -1.47 0.00 0.00 33.84 33.57 2p0x n VAL 9 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2p0x n VAL 10 N -0.23 0.42 0.00 3.34 0.24 -1.26 -3.94 118.33 116.90 2p0x n VAL 10 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2p0x n VAL 10 Cb 0.00 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 2p0x n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2p0x n LYS 12 N -1.41 -1.92 -0.00 0.00 2.85 -1.25 -4.36 118.16 112.06 2p0x n LYS 12 Ca 0.00 0.06 0.05 0.00 -1.05 0.00 0.00 58.31 57.37 2p0x n LYS 12 Cb 0.27 -2.89 -0.06 0.00 -0.65 0.00 0.00 35.03 31.69 2p0x n LYS 12 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2p0x n VAL 13 N -0.30 0.00 -4.42 0.58 0.24 -1.26 -5.00 118.33 108.17 2p0x n VAL 13 Ca -0.00 -0.26 -0.25 0.00 -2.04 0.00 0.00 64.34 61.79 2p0x n VAL 13 Cb 0.06 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 2p0x n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2p0x s ALA 14 N -2.17 2.79 0.00 2.33 0.00 -1.26 -5.10 121.76 118.34 2p0x s ALA 14 Ca 0.01 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2p0x s ALA 14 Cb 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2p0x s ALA 14 CO 0.39 0.32 0.17 -0.35 0.00 0.00 0.00 175.76 176.29 2p0x n PRO 15 N -0.44 0.00 0.00 0.00 -0.04 -1.26 -3.47 135.00 129.79 2p0x n PRO 15 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2p0x n PRO 15 Cb 0.59 -0.62 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 2p0x n PRO 15 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2p0x n ARG 16 N -0.43 0.00 -0.90 0.54 1.85 -1.26 0.53 116.66 116.99 2p0x n ARG 16 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 2p0x n ARG 16 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 2p0x n ARG 16 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2p0x n ASP 17 N 0.00 -0.10 -4.06 2.89 9.92 -1.24 -4.41 116.55 119.56 2p0x n ASP 17 Ca 0.00 0.70 -0.08 0.00 -0.53 0.00 0.00 54.79 54.89 2p0x n ASP 17 Cb 0.00 -0.56 -0.10 0.00 -0.64 0.00 0.00 41.12 39.82 2p0x n ASP 17 CO 0.00 0.00 0.00 -1.66 0.13 0.00 0.00 177.20 175.67 2p0x s TRP 18 N -0.08 0.44 0.06 1.24 1.48 -1.26 -0.17 118.94 120.66 2p0x s TRP 18 Ca 0.53 -0.92 -0.02 0.00 -1.06 0.00 0.00 56.10 54.63 2p0x s TRP 18 Cb -0.75 -0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 31.20 2p0x s TRP 18 CO 0.35 -0.34 0.01 0.50 -4.06 0.00 0.00 176.95 173.40 2p0x s ARG 19 N -3.31 0.67 -0.12 3.25 3.52 0.50 -4.98 118.95 118.48 2p0x s ARG 19 Ca 0.01 -1.21 -0.02 0.00 -0.13 0.00 0.00 55.73 54.38 2p0x s ARG 19 Cb 0.04 0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 2p0x s ARG 19 CO -0.08 -0.14 -0.04 0.54 -0.81 0.00 0.00 175.30 174.77 2p0x s VAL 20 N -3.93 3.93 -0.04 7.11 0.11 -1.26 0.91 120.40 127.23 2p0x s VAL 20 Ca 0.08 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 2p0x s VAL 20 Cb 0.08 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.28 2p0x s VAL 20 CO -0.09 0.54 0.03 -0.75 -3.33 0.00 0.00 175.10 171.50 2p0x s LYS 21 N -0.16 0.11 0.00 1.54 2.47 0.31 -4.92 119.74 119.10 2p0x s LYS 21 Ca 0.03 0.21 0.00 0.00 -1.56 0.00 0.00 55.97 54.66 2p0x s LYS 21 Cb -0.13 -0.48 0.00 0.00 -1.46 0.00 0.00 37.83 35.76 2p0x s LYS 21 CO 0.02 -0.23 0.00 0.27 0.16 0.00 0.00 175.35 175.57 2p0x n ASN 22 N 4.67 0.00 -1.12 1.43 0.23 -1.26 0.17 115.26 119.37 2p0x n ASN 22 Ca -0.17 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 53.98 2p0x n ASN 22 Cb 0.50 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.47 2p0x n ASN 22 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2p0x n ARG 23 N 6.63 2.85 -4.44 -3.83 1.74 -1.26 -4.97 116.66 113.39 2p0x n ARG 23 Ca 0.00 -2.47 -0.25 0.00 -0.77 0.00 0.00 57.85 54.35 2p0x n ARG 23 Cb 0.00 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.84 2p0x n ARG 23 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2p0x s HIS 24 N -1.09 2.27 -0.12 -1.55 3.76 0.44 -3.58 115.29 115.42 2p0x s HIS 24 Ca 0.40 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 2p0x s HIS 24 Cb 0.22 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 2p0x s HIS 24 CO 0.26 0.59 -0.05 -0.51 -0.85 0.00 0.00 174.74 174.19 2p0x s LEU 25 N -3.05 3.25 -0.26 0.89 2.01 -1.05 -0.53 118.68 119.95 2p0x s LEU 25 Ca 0.25 -0.07 -0.06 0.00 0.01 0.00 0.00 54.13 54.26 2p0x s LEU 25 Cb -0.06 -1.75 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 2p0x s LEU 25 CO 0.12 0.26 0.03 -0.60 1.01 0.00 0.00 176.35 177.17 2p0x s ARG 26 N -0.17 3.29 0.16 1.70 3.52 0.26 -2.01 118.95 125.71 2p0x s ARG 26 Ca 0.03 -0.71 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2p0x s ARG 26 Cb -0.13 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 2p0x s ARG 26 CO 0.03 -0.31 0.03 0.42 -0.81 0.00 0.00 175.30 174.66 2p0x s ILE 27 N 1.51 3.95 0.27 4.11 1.01 0.31 0.19 121.20 132.54 2p0x s ILE 27 Ca 0.04 -1.29 0.09 0.00 0.00 0.00 0.00 60.65 59.49 2p0x s ILE 27 Cb -0.16 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2p0x s ILE 27 CO 0.01 -0.09 0.04 -0.31 0.00 0.00 0.00 174.94 174.59 2p0x s TYR 28 N -1.69 2.77 -0.70 3.97 2.02 57.02 0.93 117.35 181.68 2p0x s TYR 28 Ca 0.28 -0.21 0.24 0.00 -0.37 0.00 0.00 57.07 57.01 2p0x s TYR 28 Cb -0.10 -1.26 0.91 0.00 -0.40 0.00 0.00 41.96 41.11 2p0x s TYR 28 CO 0.20 0.59 1.74 -1.71 -1.57 0.00 0.00 175.55 174.79 2p0x n ASN 29 N -0.96 0.58 -3.62 2.29 5.15 0.16 -4.60 115.26 114.27 2p0x n ASN 29 Ca -0.06 0.59 -0.11 0.00 -0.60 0.00 0.00 54.58 54.40 2p0x n ASN 29 Cb 0.59 -0.73 -0.04 0.00 -0.53 0.00 0.00 39.78 39.06 2p0x n ASN 29 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2p0x s MET 30 N -3.16 1.10 1.27 1.20 1.00 -1.26 -4.58 119.30 114.88 2p0x s MET 30 Ca 0.08 -0.69 -0.20 0.00 0.00 0.00 0.00 55.69 54.88 2p0x s MET 30 Cb 0.12 0.48 0.31 0.00 0.00 0.00 0.00 34.83 35.74 2p0x s MET 30 CO 0.48 -0.44 1.04 0.00 0.00 0.00 0.00 175.02 176.10 2p0x h LYS 32 N -2.87 0.41 0.00 0.00 3.64 -1.97 -1.94 116.57 113.84 2p0x h LYS 32 Ca -0.46 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2p0x h LYS 32 Cb 1.31 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2p0x h LYS 32 CO 0.34 0.55 0.00 2.41 -2.27 0.00 0.00 179.45 180.48 2p0x n THR 33 N -4.21 0.00 -0.35 1.00 -1.04 -1.26 -2.62 114.28 105.80 2p0x n THR 33 Ca 0.00 1.13 0.37 0.00 -2.04 0.00 0.00 64.05 63.51 2p0x n THR 33 Cb 0.32 -2.10 0.71 0.00 -1.82 0.00 0.00 70.33 67.43 2p0x n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p0x h PHE 35 N 0.00 0.24 -0.51 0.00 3.57 -1.25 1.99 116.94 120.98 2p0x h PHE 35 Ca 0.61 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 62.02 2p0x h PHE 35 Cb 2.68 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 41.32 2p0x h PHE 35 CO 0.00 0.23 0.02 -0.91 -2.23 0.00 0.00 178.31 175.42 2p0x h ASN 36 N 0.19 0.86 0.39 0.41 -0.26 0.13 -2.30 115.58 115.00 2p0x h ASN 36 Ca 0.06 -0.30 -0.08 0.00 -0.56 0.00 0.00 56.30 55.43 2p0x h ASN 36 Cb 0.06 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2p0x h ASN 36 CO -0.01 0.94 -0.36 -1.13 -1.06 0.00 0.00 177.43 175.81 2p0x h ASN 37 N 0.75 0.00 0.22 5.81 -1.24 -0.72 -1.66 115.58 118.74 2p0x h ASN 37 Ca 0.15 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 2p0x h ASN 37 Cb 0.49 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 2p0x h ASN 37 CO 0.02 0.36 -0.17 0.77 -1.29 0.00 0.00 177.43 177.12 2p0x h SER 38 N 0.00 0.00 0.22 1.15 4.64 0.37 0.23 113.55 120.17 2p0x h SER 38 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2p0x h SER 38 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2p0x h SER 38 CO 0.05 0.17 -0.22 0.40 -0.87 0.00 0.00 176.83 176.36 2p0x h ILE 39 N 0.00 1.16 0.00 0.95 2.04 -0.97 4.49 117.51 125.18 2p0x h ILE 39 Ca -0.00 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2p0x h ILE 39 Cb 0.33 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2p0x h ILE 39 CO 0.02 0.22 -0.00 0.11 0.00 0.00 0.00 178.15 178.50 2p0x h LYS 40 N 0.00 -0.00 0.05 2.37 1.79 -0.65 -2.59 116.57 117.54 2p0x h LYS 40 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2p0x h LYS 40 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2p0x h LYS 40 CO 0.03 -0.00 -0.02 0.77 -1.08 0.00 0.00 179.45 179.15 2p0x h SER 41 N -0.01 -0.05 -0.35 0.86 0.02 -0.99 -3.30 113.55 109.73 2p0x h SER 41 Ca -0.00 -0.46 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 2p0x h SER 41 Cb 0.00 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2p0x h SER 41 CO 0.00 0.44 0.03 1.23 -1.14 0.00 0.00 176.83 177.39 2p0x h GLY 42 N -0.57 0.64 0.00 -3.77 0.00 0.69 -3.45 103.07 96.62 2p0x h GLY 42 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2p0x h GLY 42 CO 0.01 0.42 0.00 1.34 0.00 0.00 0.00 176.54 178.31 2p0x n ASP 43 N -4.54 0.00 -2.72 0.19 -0.08 1.11 -2.22 116.55 108.30 2p0x n ASP 43 Ca -0.02 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.18 2p0x n ASP 43 Cb 0.25 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.80 2p0x n ASP 43 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2p0x n ASP 44 N 0.00 -2.13 -2.31 1.67 5.75 -1.26 -4.81 116.55 113.45 2p0x n ASP 44 Ca 0.00 -3.26 -0.02 0.00 -0.01 0.00 0.00 54.79 51.49 2p0x n ASP 44 Cb 0.00 1.68 0.07 0.00 -1.03 0.00 0.00 41.12 41.85 2p0x n ASP 44 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2p0x n THR 45 N 0.19 0.00 0.00 2.12 -1.04 -0.94 -4.96 114.28 109.65 2p0x n THR 45 Ca 0.03 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 2p0x n THR 45 Cb 0.73 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 70.04 2p0x n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p0x n TYR 46 N -0.85 0.00 -1.49 -1.42 4.11 -1.26 -4.95 117.16 111.30 2p0x n TYR 46 Ca -0.12 0.00 -0.56 0.00 -0.00 0.00 0.00 57.90 57.22 2p0x n TYR 46 Cb 0.73 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 40.01 2p0x n TYR 46 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 2p0x n HIS 47 N -0.66 0.50 0.00 -3.48 8.25 -1.26 -4.87 115.22 113.70 2p0x n HIS 47 Ca 0.00 1.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.46 2p0x n HIS 47 Cb 0.07 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.10 2p0x n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p0x n GLY 48 N 1.68 2.06 3.00 -1.41 0.00 -1.26 -4.72 105.19 104.54 2p0x n GLY 48 Ca 0.19 0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 2p0x n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2p0x s HIS 49 N 0.00 0.37 0.04 1.61 -3.43 -0.97 -0.60 115.29 112.30 2p0x s HIS 49 Ca 0.00 -0.53 0.04 0.00 -0.80 0.00 0.00 55.06 53.77 2p0x s HIS 49 Cb 0.00 -0.25 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 2p0x s HIS 49 CO 0.00 -0.17 -0.04 0.08 -2.00 0.00 0.00 174.74 172.62 2p0x s VAL 50 N -1.48 3.82 -0.01 -5.38 1.01 0.27 -2.29 120.40 116.34 2p0x s VAL 50 Ca -0.14 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2p0x s VAL 50 Cb -0.10 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 2p0x s VAL 50 CO -0.01 0.28 -0.07 -1.81 0.00 0.00 0.00 175.10 173.49 2p0x s ASP 51 N -1.79 0.94 -0.03 3.32 1.01 -1.00 0.11 116.67 119.23 2p0x s ASP 51 Ca 0.20 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.36 2p0x s ASP 51 Cb -0.11 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 2p0x s ASP 51 CO 0.12 0.07 -0.14 0.26 0.21 0.00 0.00 175.17 175.68 2p0x s TRP 52 N 0.04 2.70 -0.91 4.23 0.52 -0.85 0.17 118.94 124.84 2p0x s TRP 52 Ca -0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 2p0x s TRP 52 Cb -0.06 -1.60 0.24 0.00 -1.15 0.00 0.00 33.47 30.91 2p0x s TRP 52 CO -0.00 0.22 0.91 1.28 0.02 0.00 0.00 176.95 179.37 2p0x n LEU 53 N 2.09 4.57 -0.93 2.99 7.99 0.47 -2.52 117.00 131.66 2p0x n LEU 53 Ca -0.17 -5.18 0.00 0.00 -0.01 0.00 0.00 56.01 50.65 2p0x n LEU 53 Cb 0.52 -1.10 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 2p0x n LEU 53 CO 0.26 1.63 0.00 1.15 -1.51 0.00 0.00 177.39 178.92 2p0x n MET 54 N 1.99 -1.22 0.00 3.23 0.00 -1.23 -1.67 117.12 118.22 2p0x n MET 54 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.94 2p0x n MET 54 Cb 0.37 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.83 2p0x n MET 54 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 175.97 178.45 2p0x n TYR 55 N -0.76 0.00 -4.17 3.17 4.11 -1.26 -5.15 117.16 113.09 2p0x n TYR 55 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 2p0x n TYR 55 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.39 2p0x n TYR 55 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2p0x s THR 56 N 0.00 3.95 -0.05 -3.48 2.01 -0.67 -5.13 115.64 112.27 2p0x s THR 56 Ca 0.00 -1.36 0.03 0.00 0.31 0.00 0.00 61.69 60.67 2p0x s THR 56 Cb 0.00 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2p0x s THR 56 CO 0.00 -0.14 -0.14 1.51 -0.69 0.00 0.00 174.62 175.16 2p0x s ASP 57 N -3.08 4.04 0.20 3.53 -4.77 -1.26 0.18 116.67 115.50 2p0x s ASP 57 Ca 0.29 -0.20 0.10 0.00 -3.30 0.00 0.00 52.55 49.45 2p0x s ASP 57 Cb -0.09 -0.87 -0.04 0.00 -1.09 0.00 0.00 42.92 40.82 2p0x s ASP 57 CO 0.20 0.34 -0.20 0.00 0.70 0.00 0.00 175.17 176.21 2p0x s ALA 58 N -0.70 2.34 -0.02 2.11 0.00 0.45 -4.97 121.76 120.96 2p0x s ALA 58 Ca 0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 2p0x s ALA 58 Cb -0.11 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2p0x s ALA 58 CO 0.01 0.30 0.04 0.15 0.00 0.00 0.00 175.76 176.26 2p0x s LYS 59 N -2.93 0.01 -0.41 0.00 1.02 -1.26 -2.38 119.74 113.78 2p0x s LYS 59 Ca 0.21 0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.36 2p0x s LYS 59 Cb -0.06 -0.09 0.19 0.00 -0.52 0.00 0.00 37.83 37.34 2p0x s LYS 59 CO 0.09 -0.08 0.40 -1.91 -0.92 0.00 0.00 175.35 172.94 2p0x n GLU 60 N 3.55 0.30 0.02 1.68 0.00 -0.97 -4.95 120.64 120.27 2p0x n GLU 60 Ca -0.19 -3.10 -0.02 0.00 0.00 0.00 0.00 57.16 53.85 2p0x n GLU 60 Cb 0.56 -1.58 -0.01 0.00 0.00 0.00 0.00 31.44 30.41 2p0x n GLU 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2p0x n PHE 61 N 2.58 0.00 -0.82 4.31 7.35 -1.26 -2.29 117.46 127.33 2p0x n PHE 61 Ca 0.28 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.94 2p0x n PHE 61 Cb 0.50 -0.11 0.02 0.00 0.35 0.00 0.00 39.48 40.23 2p0x n PHE 61 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2p0x n SER 62 N -3.68 -0.53 -3.36 -2.13 7.64 -1.26 -4.76 113.62 105.54 2p0x n SER 62 Ca -0.04 -0.81 -0.19 0.00 1.01 0.00 0.00 58.87 58.85 2p0x n SER 62 Cb 0.14 -0.09 0.12 0.00 -1.01 0.00 0.00 64.21 63.38 2p0x n SER 62 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2p0x n SER 63 N -3.12 0.26 -0.05 6.43 3.41 -1.26 -5.12 113.62 114.18 2p0x n SER 63 Ca 0.01 -1.42 0.16 0.00 -0.26 0.00 0.00 58.87 57.36 2p0x n SER 63 Cb 0.05 -0.62 0.90 0.00 -0.26 0.00 0.00 64.21 64.29 2p0x n SER 63 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95