#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 -0.71 -0.07 1.61 3.41 -1.26 -4.99 113.62 111.62 2p0x n SER 2 Ca 0.00 0.40 -0.12 0.00 -0.26 0.00 0.00 58.87 58.88 2p0x n SER 2 Cb 0.00 -1.36 -0.04 0.00 -0.26 0.00 0.00 64.21 62.55 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 -3.87 0.00 -3.24 7.33 3.01 -1.26 -5.04 117.46 114.39 2p0x n PHE 3 Ca 0.10 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.40 2p0x n PHE 3 Cb 0.52 -0.48 0.07 0.00 -0.01 0.00 0.00 39.48 39.58 2p0x n PHE 3 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2p0x n ARG 4 N -3.99 -5.77 0.00 -1.08 1.74 -1.26 -4.96 116.66 101.34 2p0x n ARG 4 Ca -0.22 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 2p0x n ARG 4 Cb 0.54 -5.26 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 2p0x n ARG 4 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2p0x n VAL 5 N -3.88 0.00 -0.05 1.55 0.24 -1.26 -4.97 118.33 109.97 2p0x n VAL 5 Ca -0.16 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 2p0x n VAL 5 Cb 0.61 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.90 2p0x n VAL 5 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2p0x h LYS 6 N 0.00 0.38 -6.97 7.34 1.57 -1.96 -3.45 116.57 113.49 2p0x h LYS 6 Ca 0.00 -0.23 -0.53 0.00 -1.87 0.00 0.00 60.65 58.01 2p0x h LYS 6 Cb 0.00 0.02 0.10 0.00 0.08 0.00 0.00 32.23 32.43 2p0x h LYS 6 CO 0.00 0.82 0.66 -2.14 -0.57 0.00 0.00 179.45 178.22 2p0x s PRO 7 N -4.09 3.83 1.08 3.15 0.02 -1.26 -4.72 135.00 133.00 2p0x s PRO 7 Ca -0.14 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 62.95 2p0x s PRO 7 Cb 0.05 -2.71 -0.00 0.00 0.02 0.00 0.00 34.50 31.86 2p0x s PRO 7 CO 0.77 -0.66 -0.55 0.00 -0.33 0.00 0.00 177.00 176.23 2p0x n VAL 9 N -4.09 0.00 0.47 0.00 3.14 -1.26 -4.37 118.33 112.21 2p0x n VAL 9 Ca -0.00 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.46 2p0x n VAL 9 Cb 0.67 0.00 0.36 0.00 -1.06 0.00 0.00 33.84 33.81 2p0x n VAL 9 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2p0x n VAL 10 N -0.24 0.96 0.00 1.55 0.31 -1.26 -3.64 118.33 116.01 2p0x n VAL 10 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2p0x n VAL 10 Cb 0.00 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 2p0x n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p0x n LYS 12 N -1.42 -0.32 0.00 0.00 5.02 -1.24 -4.53 118.16 115.66 2p0x n LYS 12 Ca 0.00 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 2p0x n LYS 12 Cb 0.20 -3.41 0.08 0.00 -0.02 0.00 0.00 35.03 31.89 2p0x n LYS 12 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2p0x n VAL 13 N -1.00 0.00 -3.99 -0.18 0.24 -1.26 -4.95 118.33 107.19 2p0x n VAL 13 Ca 0.00 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 2p0x n VAL 13 Cb 0.05 1.43 -0.10 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.83 0.16 0.00 2.33 0.00 -1.26 -5.11 121.76 116.06 2p0x s ALA 14 Ca 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2p0x s ALA 14 Cb 0.18 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2p0x s ALA 14 CO 0.29 -0.24 0.33 -0.35 0.00 0.00 0.00 175.76 175.78 2p0x n PRO 15 N 1.07 0.00 0.00 0.00 -0.04 -1.26 -3.83 135.00 130.94 2p0x n PRO 15 Ca -0.21 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2p0x n PRO 15 Cb 0.57 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.46 0.00 -1.17 0.54 1.85 -1.26 0.94 116.66 116.10 2p0x n ARG 16 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 2p0x n ARG 16 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 2p0x n ARG 16 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2p0x n ASP 17 N 0.00 -1.75 -4.07 2.89 2.03 -1.24 -4.36 116.55 110.04 2p0x n ASP 17 Ca 0.00 0.85 -0.07 0.00 0.52 0.00 0.00 54.79 56.09 2p0x n ASP 17 Cb 0.00 -0.80 -0.10 0.00 -0.72 0.00 0.00 41.12 39.50 2p0x n ASP 17 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 2p0x s TRP 18 N -1.15 0.49 0.06 -0.67 -2.14 -1.26 -0.82 118.94 113.45 2p0x s TRP 18 Ca 0.54 -1.03 -0.04 0.00 2.66 0.00 0.00 56.10 58.23 2p0x s TRP 18 Cb -0.69 -0.36 -0.03 0.00 -3.10 0.00 0.00 33.47 29.29 2p0x s TRP 18 CO 0.51 -0.39 0.05 0.50 -2.66 0.00 0.00 176.95 174.96 2p0x s ARG 19 N -3.86 0.67 -0.14 3.25 3.52 0.85 -4.97 118.95 118.27 2p0x s ARG 19 Ca 0.06 -1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 54.53 2p0x s ARG 19 Cb 0.07 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2p0x s ARG 19 CO -0.10 -0.16 -0.00 0.08 -0.81 0.00 0.00 175.30 174.31 2p0x s VAL 20 N -3.76 4.21 -0.12 7.11 1.01 -1.26 0.15 120.40 127.75 2p0x s VAL 20 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2p0x s VAL 20 Cb 0.06 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.63 2p0x s VAL 20 CO -0.10 0.52 -0.05 -0.75 0.00 0.00 0.00 175.10 174.72 2p0x s LYS 21 N 0.03 1.31 -0.01 2.72 2.20 0.38 -4.84 119.74 121.53 2p0x s LYS 21 Ca 0.02 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 2p0x s LYS 21 Cb -0.13 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2p0x s LYS 21 CO 0.02 -0.32 0.02 0.09 -0.36 0.00 0.00 175.35 174.79 2p0x n ASN 22 N 4.97 -0.81 0.00 1.43 4.13 -1.26 0.24 115.26 123.96 2p0x n ASN 22 Ca -0.11 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2p0x n ASN 22 Cb 0.49 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.53 2p0x n ASN 22 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2p0x n ARG 23 N 0.48 0.00 -4.18 3.52 3.00 -1.26 -4.88 116.66 113.35 2p0x n ARG 23 Ca -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.58 2p0x n ARG 23 Cb 0.07 -3.88 -0.07 0.00 0.00 0.00 0.00 32.46 28.57 2p0x n ARG 23 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2p0x s HIS 24 N -0.90 2.91 -0.21 -0.14 3.76 0.66 -4.04 115.29 117.34 2p0x s HIS 24 Ca 0.00 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 54.76 2p0x s HIS 24 Cb 0.00 -1.42 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 2p0x s HIS 24 CO 0.00 0.51 -0.02 -0.51 -0.85 0.00 0.00 174.74 173.88 2p0x s LEU 25 N -2.90 3.09 -0.24 0.89 1.43 -0.55 0.14 118.68 120.54 2p0x s LEU 25 Ca 0.28 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 2p0x s LEU 25 Cb -0.10 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2p0x s LEU 25 CO 0.19 0.02 0.13 -0.60 0.23 0.00 0.00 176.35 176.32 2p0x s ARG 26 N 1.27 3.93 0.31 1.70 3.52 0.41 -0.28 118.95 129.81 2p0x s ARG 26 Ca 0.04 -0.34 0.08 0.00 -0.13 0.00 0.00 55.73 55.37 2p0x s ARG 26 Cb -0.14 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2p0x s ARG 26 CO -0.00 -0.01 0.20 0.42 -0.81 0.00 0.00 175.30 175.10 2p0x s ILE 27 N 1.22 3.65 0.23 4.11 1.09 0.39 0.29 121.20 132.17 2p0x s ILE 27 Ca 0.06 -1.51 0.09 0.00 -1.10 0.00 0.00 60.65 58.19 2p0x s ILE 27 Cb -0.14 -3.16 -0.05 0.00 -1.06 0.00 0.00 42.46 38.05 2p0x s ILE 27 CO 0.05 -0.24 -0.17 -0.31 -0.10 0.00 0.00 174.94 174.17 2p0x s TYR 28 N -2.29 1.92 -1.21 3.97 2.02 35.20 -0.35 117.35 156.61 2p0x s TYR 28 Ca 0.37 -0.48 0.29 0.00 -0.37 0.00 0.00 57.07 56.88 2p0x s TYR 28 Cb -0.06 -0.87 1.22 0.00 -0.40 0.00 0.00 41.96 41.85 2p0x s TYR 28 CO 0.24 0.48 1.89 0.09 -1.57 0.00 0.00 175.55 176.68 2p0x n ASN 29 N -0.39 0.13 -3.80 2.29 4.13 -1.01 -4.55 115.26 112.05 2p0x n ASN 29 Ca -0.07 0.08 -0.12 0.00 1.68 0.00 0.00 54.58 56.14 2p0x n ASN 29 Cb 0.60 -0.29 -0.09 0.00 -1.54 0.00 0.00 39.78 38.46 2p0x n ASN 29 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2p0x s MET 30 N -2.81 0.55 1.08 3.52 -1.94 -1.26 -4.24 119.30 114.19 2p0x s MET 30 Ca 0.20 -0.18 -0.13 0.00 -1.71 0.00 0.00 55.69 53.87 2p0x s MET 30 Cb 0.19 0.24 0.23 0.00 2.01 0.00 0.00 34.83 37.51 2p0x s MET 30 CO 0.52 -0.14 1.06 0.00 -0.01 0.00 0.00 175.02 176.46 2p0x h LYS 32 N -2.23 0.82 0.03 0.00 3.64 -1.96 1.52 116.57 118.38 2p0x h LYS 32 Ca -0.58 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.75 2p0x h LYS 32 Cb 1.33 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2p0x h LYS 32 CO 0.54 0.54 -0.01 1.15 -2.27 0.00 0.00 179.45 179.40 2p0x h THR 33 N 0.84 0.00 -0.38 1.00 2.02 -2.00 -2.37 112.91 112.02 2p0x h THR 33 Ca 0.44 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.73 2p0x h THR 33 Cb 0.45 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 2p0x h THR 33 CO -0.27 0.00 0.33 0.00 0.37 0.00 0.00 175.52 175.95 2p0x h PHE 35 N 0.00 0.31 -0.58 0.00 3.57 0.23 4.33 116.94 124.80 2p0x h PHE 35 Ca 0.18 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 2p0x h PHE 35 Cb 0.84 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2p0x h PHE 35 CO 0.00 0.15 0.00 -0.91 -2.23 0.00 0.00 178.31 175.32 2p0x h ASN 36 N 0.35 1.00 -0.17 0.41 2.35 -0.39 -2.19 115.58 116.93 2p0x h ASN 36 Ca 0.16 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 2p0x h ASN 36 Cb 0.10 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2p0x h ASN 36 CO -0.13 1.06 -0.17 -1.13 -1.65 0.00 0.00 177.43 175.41 2p0x h ASN 37 N 0.91 0.58 -0.30 5.81 -1.24 -0.29 -1.28 115.58 119.77 2p0x h ASN 37 Ca 0.16 -0.17 0.09 0.00 0.71 0.00 0.00 56.30 57.09 2p0x h ASN 37 Cb 0.55 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2p0x h ASN 37 CO 0.03 0.76 0.23 0.77 -1.29 0.00 0.00 177.43 177.93 2p0x h SER 38 N 0.53 0.00 0.29 1.15 4.64 0.90 1.52 113.55 122.58 2p0x h SER 38 Ca 0.09 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 2p0x h SER 38 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2p0x h SER 38 CO 0.04 0.00 -0.24 0.40 -0.87 0.00 0.00 176.83 176.16 2p0x h ILE 39 N 0.00 1.08 0.00 0.95 2.04 -0.88 4.19 117.51 124.89 2p0x h ILE 39 Ca 0.14 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2p0x h ILE 39 Cb 0.61 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2p0x h ILE 39 CO -0.00 0.23 0.00 0.29 0.00 0.00 0.00 178.15 178.67 2p0x n LYS 40 N -4.12 0.00 0.06 2.37 4.76 0.50 -2.19 118.16 119.53 2p0x n LYS 40 Ca -0.02 0.47 -0.13 0.00 -2.87 0.00 0.00 58.31 55.77 2p0x n LYS 40 Cb 0.30 -1.02 -0.09 0.00 -1.84 0.00 0.00 35.03 32.39 2p0x n LYS 40 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2p0x h SER 41 N 0.00 -0.14 -0.07 4.39 0.02 -0.92 -3.30 113.55 113.54 2p0x h SER 41 Ca 0.00 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2p0x h SER 41 Cb 0.00 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2p0x h SER 41 CO 0.00 0.27 0.01 1.23 -1.14 0.00 0.00 176.83 177.20 2p0x h GLY 42 N -0.59 0.12 0.00 -3.77 0.00 0.66 -3.45 103.07 96.05 2p0x h GLY 42 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2p0x h GLY 42 CO 0.03 0.07 0.00 1.34 0.00 0.00 0.00 176.54 177.98 2p0x n ASP 43 N -4.89 0.00 -2.72 0.19 2.03 0.88 -1.86 116.55 110.19 2p0x n ASP 43 Ca -0.07 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.16 2p0x n ASP 43 Cb 0.17 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.66 2p0x n ASP 43 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2p0x n ASP 44 N 0.00 -2.15 0.22 1.67 5.75 -1.26 -4.85 116.55 115.92 2p0x n ASP 44 Ca 0.00 -3.25 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 2p0x n ASP 44 Cb 0.00 1.64 0.00 0.00 -1.03 0.00 0.00 41.12 41.73 2p0x n ASP 44 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2p0x n THR 45 N 0.09 0.00 -0.30 2.12 -2.24 -0.78 -4.92 114.28 108.25 2p0x n THR 45 Ca 0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 2p0x n THR 45 Cb 0.74 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 2p0x n THR 45 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2p0x n TYR 46 N -3.46 0.00 -4.42 4.78 4.02 -1.26 -4.76 117.16 112.07 2p0x n TYR 46 Ca 0.00 -0.52 -0.32 0.00 -0.01 0.00 0.00 57.90 57.05 2p0x n TYR 46 Cb 0.00 -0.58 -0.10 0.00 -0.02 0.00 0.00 39.34 38.64 2p0x n TYR 46 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 2p0x s HIS 47 N 1.50 2.88 0.00 -0.72 -3.43 -1.26 -4.88 115.29 109.38 2p0x s HIS 47 Ca 0.11 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 2p0x s HIS 47 Cb 0.05 -1.59 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 2p0x s HIS 47 CO 0.00 0.38 0.00 0.41 -2.00 0.00 0.00 174.74 173.53 2p0x n GLY 48 N 1.42 3.60 3.04 -1.38 0.00 -1.26 -4.64 105.19 105.98 2p0x n GLY 48 Ca -0.15 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.42 0.35 -0.11 1.61 -3.43 -0.08 -2.41 115.29 109.80 2p0x s HIS 49 Ca 0.00 -0.73 -0.01 0.00 -0.80 0.00 0.00 55.06 53.52 2p0x s HIS 49 Cb 0.00 -0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 30.87 2p0x s HIS 49 CO 0.00 -0.28 -0.09 0.08 -2.00 0.00 0.00 174.74 172.45 2p0x s VAL 50 N -2.52 3.50 -0.10 -5.38 1.01 0.52 -1.05 120.40 116.38 2p0x s VAL 50 Ca -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2p0x s VAL 50 Cb -0.02 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 2p0x s VAL 50 CO -0.05 0.54 -0.18 -1.81 0.00 0.00 0.00 175.10 173.60 2p0x s ASP 51 N -0.09 3.62 -0.06 3.32 1.11 -0.82 0.15 116.67 123.91 2p0x s ASP 51 Ca 0.00 -0.39 0.02 0.00 0.18 0.00 0.00 52.55 52.35 2p0x s ASP 51 Cb -0.13 -1.29 -0.03 0.00 1.07 0.00 0.00 42.92 42.54 2p0x s ASP 51 CO 0.03 0.21 -0.08 0.26 1.18 0.00 0.00 175.17 176.77 2p0x s TRP 52 N 0.07 2.89 0.41 4.23 0.52 0.62 0.18 118.94 127.86 2p0x s TRP 52 Ca -0.08 -0.01 0.07 0.00 0.02 0.00 0.00 56.10 56.11 2p0x s TRP 52 Cb -0.15 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2p0x s TRP 52 CO 0.05 0.32 0.27 -0.51 0.02 0.00 0.00 176.95 177.10 2p0x s LEU 53 N -0.87 3.24 0.00 2.99 1.02 0.13 -1.49 118.68 123.70 2p0x s LEU 53 Ca 0.13 -0.93 0.08 0.00 0.02 0.00 0.00 54.13 53.43 2p0x s LEU 53 Cb -0.11 -1.71 0.51 0.00 0.02 0.00 0.00 46.19 44.89 2p0x s LEU 53 CO 0.02 -0.59 0.92 1.15 0.02 0.00 0.00 176.35 177.87 2p0x n MET 54 N -1.38 0.37 0.00 1.70 0.00 -1.26 -3.36 117.12 113.19 2p0x n MET 54 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2p0x n MET 54 Cb 0.63 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.49 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 -0.86 0.00 -4.13 3.17 4.11 -1.26 -5.15 117.16 113.03 2p0x n TYR 55 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.87 2p0x n TYR 55 Cb 0.03 0.06 -0.10 0.00 -0.00 0.00 0.00 39.34 39.34 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 0.11 -0.03 -3.48 2.01 -1.21 -5.16 115.64 107.87 2p0x s THR 56 Ca 0.00 -1.86 0.01 0.00 0.31 0.00 0.00 61.69 60.15 2p0x s THR 56 Cb 0.00 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.54 2p0x s THR 56 CO 0.00 -0.49 -0.04 1.51 -0.69 0.00 0.00 174.62 174.91 2p0x s ASP 57 N -3.03 0.82 0.28 3.53 -4.77 -1.26 0.17 116.67 112.40 2p0x s ASP 57 Ca 0.22 -0.11 0.12 0.00 -3.30 0.00 0.00 52.55 49.48 2p0x s ASP 57 Cb 0.07 -0.34 -0.05 0.00 -1.09 0.00 0.00 42.92 41.51 2p0x s ASP 57 CO 0.01 -0.03 -0.18 0.00 0.70 0.00 0.00 175.17 175.67 2p0x s ALA 58 N 0.67 2.79 -0.01 2.11 0.00 0.47 -4.98 121.76 122.81 2p0x s ALA 58 Ca -0.08 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.01 2p0x s ALA 58 Cb -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.69 2p0x s ALA 58 CO -0.00 0.28 0.02 0.15 0.00 0.00 0.00 175.76 176.20 2p0x s LYS 59 N -3.53 0.02 -0.41 0.00 1.02 -1.26 -1.93 119.74 113.64 2p0x s LYS 59 Ca 0.30 0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.36 2p0x s LYS 59 Cb -0.05 0.01 0.18 0.00 -0.52 0.00 0.00 37.83 37.45 2p0x s LYS 59 CO 0.16 -0.00 0.37 -1.91 -0.92 0.00 0.00 175.35 173.04 2p0x n GLU 60 N 3.08 0.29 -0.01 1.68 0.00 -0.22 -4.92 120.64 120.54 2p0x n GLU 60 Ca -0.12 -3.20 -0.15 0.00 0.00 0.00 0.00 57.16 53.69 2p0x n GLU 60 Cb 0.60 -1.61 -0.14 0.00 0.00 0.00 0.00 31.44 30.29 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 2.60 1.08 0.13 4.31 -0.00 -1.26 -0.90 117.46 123.41 2p0x n PHE 61 Ca 0.28 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 58.03 2p0x n PHE 61 Cb 0.49 -1.17 0.00 0.00 -0.00 0.00 0.00 39.48 38.80 2p0x n PHE 61 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2p0x n SER 62 N -3.25 -1.48 -2.82 -2.13 2.88 -1.26 -4.50 113.62 101.06 2p0x n SER 62 Ca -0.25 0.47 -0.02 0.00 -1.33 0.00 0.00 58.87 57.73 2p0x n SER 62 Cb 1.05 1.54 -0.02 0.00 -0.75 0.00 0.00 64.21 66.03 2p0x n SER 62 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2p0x n SER 63 N -3.13 -4.42 0.00 -3.46 7.64 -1.26 -5.13 113.62 103.86 2p0x n SER 63 Ca 0.00 1.15 0.04 0.00 1.01 0.00 0.00 58.87 61.07 2p0x n SER 63 Cb 0.00 -3.17 0.24 0.00 -1.01 0.00 0.00 64.21 60.27 2p0x n SER 63 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38