#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0x s SER 2 N 0.00 -0.14 0.10 1.61 0.15 -1.26 -5.13 113.70 109.03 2p0x s SER 2 Ca 0.00 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2p0x s SER 2 Cb 0.00 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.60 2p0x s SER 2 CO 0.00 -0.28 0.00 0.33 1.20 0.00 0.00 173.24 174.49 2p0x n PHE 3 N 4.83 0.00 -1.11 3.44 -0.00 -1.26 -4.60 117.46 118.76 2p0x n PHE 3 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.50 2p0x n PHE 3 Cb 0.51 0.01 -0.01 0.00 -0.00 0.00 0.00 39.48 39.99 2p0x n PHE 3 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2p0x n ARG 4 N 2.56 -1.12 -0.04 -4.13 5.12 -1.26 -4.58 116.66 113.22 2p0x n ARG 4 Ca 0.00 0.09 0.03 0.00 -1.93 0.00 0.00 57.85 56.04 2p0x n ARG 4 Cb 0.00 -4.14 0.05 0.00 -1.16 0.00 0.00 32.46 27.21 2p0x n ARG 4 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2p0x n VAL 5 N -1.17 0.45 -3.24 1.55 3.14 -1.26 -4.75 118.33 113.04 2p0x n VAL 5 Ca -0.02 -0.72 -0.25 0.00 -2.96 0.00 0.00 64.34 60.39 2p0x n VAL 5 Cb 0.07 0.84 -0.06 0.00 -1.06 0.00 0.00 33.84 33.63 2p0x n VAL 5 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2p0x n LYS 6 N 0.18 1.77 -0.73 1.45 4.81 -1.26 -5.11 118.16 119.27 2p0x n LYS 6 Ca 0.04 -4.01 -0.16 0.00 -0.87 0.00 0.00 58.31 53.31 2p0x n LYS 6 Cb 0.23 -1.81 0.13 0.00 0.02 0.00 0.00 35.03 33.60 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 0.83 -1.60 -0.92 1.64 -0.04 -1.26 -4.98 135.00 128.66 2p0x n PRO 7 Ca 0.26 -1.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.37 2p0x n PRO 7 Cb 0.48 -0.82 0.05 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.63 0.00 0.62 0.00 0.24 -1.26 -3.46 118.33 110.83 2p0x n VAL 9 Ca -0.01 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.40 2p0x n VAL 9 Cb 0.68 -0.64 0.46 0.00 -1.47 0.00 0.00 33.84 32.87 2p0x n VAL 9 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2p0x n VAL 10 N -1.53 0.62 0.00 3.34 0.31 -1.26 -4.01 118.33 115.80 2p0x n VAL 10 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2p0x n VAL 10 Cb 0.33 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 -1.21 -1.00 0.00 0.00 5.02 -1.22 -4.47 118.16 115.28 2p0x n LYS 12 Ca 0.00 0.10 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 2p0x n LYS 12 Cb 0.12 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.13 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 -0.55 0.00 -4.19 -0.18 0.24 -1.26 -4.91 118.33 107.49 2p0x n VAL 13 Ca 0.00 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 61.80 2p0x n VAL 13 Cb 0.10 1.21 -0.12 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.00 0.96 0.00 2.33 0.00 -1.26 -5.10 121.76 116.70 2p0x s ALA 14 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2p0x s ALA 14 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2p0x s ALA 14 CO 0.43 0.13 0.50 -0.35 0.00 0.00 0.00 175.76 176.47 2p0x n PRO 15 N 1.59 0.00 0.00 0.00 -0.04 -1.26 -2.27 135.00 133.02 2p0x n PRO 15 Ca -0.20 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2p0x n PRO 15 Cb 0.55 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 2p0x n PRO 15 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2p0x n ARG 16 N -1.02 0.00 -0.86 0.54 1.74 -1.26 -1.46 116.66 114.34 2p0x n ARG 16 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2p0x n ARG 16 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2p0x n ARG 16 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2p0x n ASP 17 N 0.00 -1.37 -4.07 0.55 -0.08 -1.26 -4.21 116.55 106.11 2p0x n ASP 17 Ca 0.00 0.61 -0.07 0.00 -1.51 0.00 0.00 54.79 53.81 2p0x n ASP 17 Cb 0.00 -0.58 -0.10 0.00 2.34 0.00 0.00 41.12 42.78 2p0x n ASP 17 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 2p0x s TRP 18 N -0.87 0.48 0.10 -0.67 -2.14 -1.26 -0.75 118.94 113.82 2p0x s TRP 18 Ca 0.39 -0.99 -0.02 0.00 2.66 0.00 0.00 56.10 58.14 2p0x s TRP 18 Cb -0.49 -0.36 -0.04 0.00 -3.10 0.00 0.00 33.47 29.49 2p0x s TRP 18 CO 0.38 -0.36 0.04 0.50 -2.66 0.00 0.00 176.95 174.86 2p0x s ARG 19 N -3.58 0.81 -0.24 3.25 3.52 0.29 -4.97 118.95 118.03 2p0x s ARG 19 Ca 0.04 -1.31 -0.06 0.00 -0.13 0.00 0.00 55.73 54.27 2p0x s ARG 19 Cb 0.05 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 2p0x s ARG 19 CO -0.09 -0.21 0.03 0.08 -0.81 0.00 0.00 175.30 174.30 2p0x s VAL 20 N -3.98 3.93 -0.60 7.11 1.01 -1.26 0.12 120.40 126.72 2p0x s VAL 20 Ca 0.16 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 2p0x s VAL 20 Cb 0.07 -2.82 0.16 0.00 0.00 0.00 0.00 36.38 33.78 2p0x s VAL 20 CO -0.04 0.37 0.45 -0.75 0.00 0.00 0.00 175.10 175.13 2p0x s LYS 21 N 1.56 2.66 0.00 2.72 2.47 0.48 -4.89 119.74 124.73 2p0x s LYS 21 Ca 0.06 -2.26 0.00 0.00 -1.56 0.00 0.00 55.97 52.21 2p0x s LYS 21 Cb -0.15 -3.88 0.00 0.00 -1.46 0.00 0.00 37.83 32.34 2p0x s LYS 21 CO 0.01 -1.19 0.00 -1.71 0.16 0.00 0.00 175.35 172.62 2p0x n ASN 22 N 4.04 0.00 0.00 1.43 5.15 -1.26 0.12 115.26 124.74 2p0x n ASN 22 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2p0x n ASN 22 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2p0x n ASN 22 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2p0x n ARG 23 N 0.34 0.00 -4.20 1.20 3.00 -1.26 -5.00 116.66 110.74 2p0x n ARG 23 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 2p0x n ARG 23 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 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 -0.71 2.90 -0.11 -0.14 3.76 0.33 -4.32 115.29 116.99 2p0x s HIS 24 Ca 0.00 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 54.74 2p0x s HIS 24 Cb 0.00 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.35 2p0x s HIS 24 CO 0.00 0.56 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.90 2p0x s LEU 25 N -3.64 3.25 -0.20 0.89 1.02 -0.90 0.18 118.68 119.28 2p0x s LEU 25 Ca 0.32 -0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.37 2p0x s LEU 25 Cb -0.07 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2p0x s LEU 25 CO 0.22 0.27 -0.03 -0.60 0.02 0.00 0.00 176.35 176.22 2p0x s ARG 26 N -0.24 3.48 0.17 1.70 3.52 0.31 -0.85 118.95 127.05 2p0x s ARG 26 Ca 0.04 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.12 2p0x s ARG 26 Cb -0.13 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 2p0x s ARG 26 CO 0.02 -0.06 0.02 0.42 -0.81 0.00 0.00 175.30 174.89 2p0x s ILE 27 N 1.14 3.84 0.27 4.11 1.09 0.48 0.11 121.20 132.24 2p0x s ILE 27 Ca 0.02 -1.36 0.08 0.00 -1.10 0.00 0.00 60.65 58.29 2p0x s ILE 27 Cb -0.15 -2.93 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 2p0x s ILE 27 CO -0.00 -0.10 0.10 -0.31 -0.10 0.00 0.00 174.94 174.53 2p0x s TYR 28 N -1.72 2.86 -1.46 3.97 2.02 44.26 0.12 117.35 167.41 2p0x s TYR 28 Ca 0.28 -0.20 0.28 0.00 -0.37 0.00 0.00 57.07 57.05 2p0x s TYR 28 Cb -0.09 -1.35 0.98 0.00 -0.40 0.00 0.00 41.96 41.10 2p0x s TYR 28 CO 0.19 0.53 1.71 0.09 -1.57 0.00 0.00 175.55 176.51 2p0x n ASN 29 N -1.05 0.54 -3.78 2.29 3.02 0.70 -4.65 115.26 112.33 2p0x n ASN 29 Ca -0.06 -0.44 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 2p0x n ASN 29 Cb 0.59 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.63 2p0x n ASN 29 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2p0x s MET 30 N -2.65 0.39 1.25 3.52 -1.94 -1.26 -4.64 119.30 113.97 2p0x s MET 30 Ca 0.22 0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 54.30 2p0x s MET 30 Cb 0.19 0.18 0.30 0.00 2.01 0.00 0.00 34.83 37.52 2p0x s MET 30 CO 0.54 -0.06 0.86 0.00 -0.01 0.00 0.00 175.02 176.34 2p0x h LYS 32 N -2.90 1.24 0.16 0.00 3.64 -1.95 0.75 116.57 117.50 2p0x h LYS 32 Ca -0.57 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 58.72 2p0x h LYS 32 Cb 1.33 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2p0x h LYS 32 CO 0.42 0.83 -0.08 1.15 -2.27 0.00 0.00 179.45 179.51 2p0x h THR 33 N 1.27 0.00 -0.45 1.00 2.02 -2.00 -2.06 112.91 112.69 2p0x h THR 33 Ca 0.34 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.61 2p0x h THR 33 Cb -0.12 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 2p0x h THR 33 CO -0.07 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.19 2p0x h PHE 35 N 0.00 0.35 -0.52 0.00 3.57 0.68 3.22 116.94 124.24 2p0x h PHE 35 Ca 0.21 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2p0x h PHE 35 Cb 0.95 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2p0x h PHE 35 CO 0.00 0.24 0.07 -0.91 -2.23 0.00 0.00 178.31 175.48 2p0x h ASN 36 N 0.36 0.84 0.00 0.41 2.35 -0.21 -2.19 115.58 117.15 2p0x h ASN 36 Ca 0.10 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 2p0x h ASN 36 Cb -0.01 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2p0x h ASN 36 CO -0.02 0.90 -0.25 -1.13 -1.65 0.00 0.00 177.43 175.28 2p0x h ASN 37 N 0.75 0.40 -0.03 5.81 -0.00 -0.58 -1.67 115.58 120.26 2p0x h ASN 37 Ca 0.16 -0.13 0.01 0.00 -0.00 0.00 0.00 56.30 56.33 2p0x h ASN 37 Cb 0.43 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 38.64 2p0x h ASN 37 CO 0.01 0.66 0.02 0.77 -0.00 0.00 0.00 177.43 178.89 2p0x h SER 38 N 0.36 0.00 0.26 1.15 4.64 0.65 0.75 113.55 121.36 2p0x h SER 38 Ca 0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 2p0x h SER 38 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2p0x h SER 38 CO 0.05 0.00 -0.25 0.40 -0.87 0.00 0.00 176.83 176.15 2p0x h ILE 39 N 0.00 1.17 0.00 0.95 1.08 -0.84 5.29 117.51 125.16 2p0x h ILE 39 Ca 0.01 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2p0x h ILE 39 Cb 0.06 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 2p0x h ILE 39 CO -0.00 0.25 0.00 0.29 -0.69 0.00 0.00 178.15 178.00 2p0x n LYS 40 N -4.22 0.00 0.05 2.37 4.76 0.23 -2.34 118.16 119.00 2p0x n LYS 40 Ca -0.02 0.47 -0.13 0.00 -2.87 0.00 0.00 58.31 55.76 2p0x n LYS 40 Cb 0.31 -0.99 -0.09 0.00 -1.84 0.00 0.00 35.03 32.41 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 -0.13 -0.27 4.39 0.02 -0.65 -3.30 113.55 113.62 2p0x h SER 41 Ca 0.00 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 2p0x h SER 41 Cb 0.00 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2p0x h SER 41 CO 0.00 0.31 0.03 1.23 -1.14 0.00 0.00 176.83 177.26 2p0x h GLY 42 N -0.60 0.49 0.00 -3.77 0.00 0.75 -3.45 103.07 96.49 2p0x h GLY 42 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2p0x h GLY 42 CO 0.03 0.31 0.00 1.34 0.00 0.00 0.00 176.54 178.22 2p0x n ASP 43 N -4.65 0.00 -1.86 0.19 2.03 1.44 -1.32 116.55 112.38 2p0x n ASP 43 Ca -0.03 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.27 2p0x n ASP 43 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2p0x n ASP 43 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2p0x n ASP 44 N 0.00 -0.36 0.06 1.67 2.03 -1.26 -4.84 116.55 113.85 2p0x n ASP 44 Ca 0.00 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.08 2p0x n ASP 44 Cb 0.00 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2p0x n ASP 44 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2p0x n THR 45 N -0.24 0.88 0.90 5.18 -1.04 -0.44 -4.75 114.28 114.77 2p0x n THR 45 Ca -0.08 0.29 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2p0x n THR 45 Cb 0.56 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 2p0x n THR 45 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2p0x n TYR 46 N -3.40 0.00 -3.07 -1.42 4.02 -1.26 -4.75 117.16 107.28 2p0x n TYR 46 Ca 0.00 -0.44 -0.44 0.00 -0.01 0.00 0.00 57.90 57.02 2p0x n TYR 46 Cb 0.00 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.03 2p0x n TYR 46 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2p0x s HIS 47 N 0.07 2.98 0.04 -0.72 3.76 -1.26 -4.79 115.29 115.38 2p0x s HIS 47 Ca 0.00 -0.44 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 2p0x s HIS 47 Cb 0.00 -3.70 0.05 0.00 1.11 0.00 0.00 32.58 30.04 2p0x s HIS 47 CO 0.00 -1.13 0.51 0.20 -0.85 0.00 0.00 174.74 173.47 2p0x s GLY 48 N 2.79 -0.42 0.04 -2.22 0.00 -1.26 -4.72 107.32 101.54 2p0x s GLY 48 Ca 0.19 0.60 -0.01 0.00 0.00 0.00 0.00 44.72 45.50 2p0x s GLY 48 CO 0.13 0.30 -0.02 -2.38 0.00 0.00 0.00 173.10 171.13 2p0x s HIS 49 N -2.37 0.39 -0.18 1.90 -3.43 -0.42 -0.21 115.29 110.97 2p0x s HIS 49 Ca -0.06 -0.81 -0.03 0.00 -0.80 0.00 0.00 55.06 53.36 2p0x s HIS 49 Cb -0.01 -0.29 -0.01 0.00 -1.43 0.00 0.00 32.58 30.84 2p0x s HIS 49 CO -0.01 -0.30 -0.07 0.08 -2.00 0.00 0.00 174.74 172.44 2p0x s VAL 50 N -2.84 3.35 -0.11 -5.38 1.01 0.33 -1.38 120.40 115.38 2p0x s VAL 50 Ca -0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2p0x s VAL 50 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2p0x s VAL 50 CO -0.06 0.46 -0.10 -1.81 0.00 0.00 0.00 175.10 173.60 2p0x s ASP 51 N 0.99 4.33 -0.09 3.32 1.01 -0.76 0.18 116.67 125.65 2p0x s ASP 51 Ca -0.00 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.06 2p0x s ASP 51 Cb -0.15 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 2p0x s ASP 51 CO -0.00 0.24 -0.05 0.26 0.21 0.00 0.00 175.17 175.83 2p0x s TRP 52 N -0.09 3.00 0.26 4.23 0.52 -0.03 0.16 118.94 127.00 2p0x s TRP 52 Ca -0.00 -0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.18 2p0x s TRP 52 Cb -0.14 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 2p0x s TRP 52 CO 0.03 0.28 0.15 -1.17 0.02 0.00 0.00 176.95 176.26 2p0x s LEU 53 N -0.58 3.62 0.00 2.99 2.96 0.62 -2.12 118.68 126.17 2p0x s LEU 53 Ca 0.09 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2p0x s LEU 53 Cb -0.12 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.42 2p0x s LEU 53 CO 0.02 -0.06 0.68 1.15 -1.32 0.00 0.00 176.35 176.82 2p0x n MET 54 N -1.12 0.55 0.00 1.98 0.00 -1.26 -3.10 117.12 114.17 2p0x n MET 54 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.63 2p0x n MET 54 Cb 0.58 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.58 2p0x n MET 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2p0x n TYR 55 N 0.95 0.00 -4.09 3.17 4.01 -1.26 -5.16 117.16 114.78 2p0x n TYR 55 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2p0x n TYR 55 Cb 0.28 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 2p0x n TYR 55 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2p0x s THR 56 N -0.22 0.21 0.02 -0.72 2.01 -1.18 -5.16 115.64 110.60 2p0x s THR 56 Ca 0.00 -1.82 0.04 0.00 0.31 0.00 0.00 61.69 60.22 2p0x s THR 56 Cb 0.00 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2p0x s THR 56 CO 0.00 -0.95 -0.05 1.51 -0.69 0.00 0.00 174.62 174.44 2p0x s ASP 57 N -2.93 4.74 0.19 3.53 1.47 -1.26 0.23 116.67 122.63 2p0x s ASP 57 Ca 0.09 -0.15 0.10 0.00 1.18 0.00 0.00 52.55 53.76 2p0x s ASP 57 Cb 0.08 -1.11 -0.04 0.00 -0.34 0.00 0.00 42.92 41.50 2p0x s ASP 57 CO -0.09 0.26 -0.20 0.00 0.68 0.00 0.00 175.17 175.82 2p0x s ALA 58 N -1.08 2.28 -0.01 2.11 0.00 0.43 -4.92 121.76 120.58 2p0x s ALA 58 Ca 0.19 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 2p0x s ALA 58 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2p0x s ALA 58 CO 0.10 0.29 0.02 0.15 0.00 0.00 0.00 175.76 176.32 2p0x s LYS 59 N -2.94 0.02 -0.41 0.00 1.02 -1.26 -1.83 119.74 114.33 2p0x s LYS 59 Ca 0.20 0.05 0.05 0.00 0.02 0.00 0.00 55.97 56.29 2p0x s LYS 59 Cb -0.06 -0.01 0.19 0.00 -0.52 0.00 0.00 37.83 37.43 2p0x s LYS 59 CO 0.09 -0.02 0.40 -1.91 -0.92 0.00 0.00 175.35 172.99 2p0x n GLU 60 N 3.18 0.35 -3.19 1.68 2.13 -0.48 -4.88 120.64 119.43 2p0x n GLU 60 Ca -0.14 -3.15 -0.21 0.00 0.66 0.00 0.00 57.16 54.32 2p0x n GLU 60 Cb 0.59 -1.53 -0.05 0.00 0.27 0.00 0.00 31.44 30.72 2p0x n GLU 60 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2p0x n PHE 61 N 2.42 0.06 0.00 4.31 7.35 -1.26 -1.29 117.46 129.04 2p0x n PHE 61 Ca 0.27 -3.70 0.00 0.00 -0.76 0.00 0.00 57.45 53.26 2p0x n PHE 61 Cb 0.50 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 39.94 2p0x n PHE 61 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2p0x n SER 62 N 0.84 0.00 -3.93 -2.13 3.41 -1.26 -4.99 113.62 105.55 2p0x n SER 62 Ca 0.23 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.56 2p0x n SER 62 Cb 0.59 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.80 2p0x n SER 62 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2p0x n SER 63 N 0.00 -2.90 0.00 4.04 3.41 -1.26 -5.26 113.62 111.66 2p0x n SER 63 Ca 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2p0x n SER 63 Cb 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2p0x n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23