#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 3.45 0.06 1.61 0.15 -1.26 -5.12 113.70 112.60 2e9h s SER 2 Ca 0.00 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.20 2e9h s SER 2 Cb 0.00 -1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.77 2e9h s SER 2 CO 0.00 0.11 -0.15 -0.44 1.20 0.00 0.00 173.24 173.96 2e9h s SER 3 N 0.67 1.75 0.00 5.45 0.01 -1.26 -5.10 113.70 115.23 2e9h s SER 3 Ca -0.09 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2e9h s SER 3 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2e9h s SER 3 CO 0.02 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2e9h n GLY 4 N 1.50 0.68 3.82 3.44 0.00 -1.26 -5.19 105.19 108.18 2e9h n GLY 4 Ca -0.20 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 2e9h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 5 N 2.00 -0.18 -0.27 1.61 1.04 -1.26 -5.18 113.70 111.46 2e9h s SER 5 Ca 0.00 -0.75 -0.25 0.00 0.48 0.00 0.00 55.95 55.43 2e9h s SER 5 Cb 0.00 0.74 0.08 0.00 0.10 0.00 0.00 66.02 66.93 2e9h s SER 5 CO 0.00 -1.39 0.77 -0.55 0.98 0.00 0.00 173.24 173.06 2e9h s SER 6 N -2.96 -0.70 -0.48 7.02 0.15 -1.26 -5.12 113.70 110.35 2e9h s SER 6 Ca 0.13 1.34 0.07 0.00 0.70 0.00 0.00 55.95 58.19 2e9h s SER 6 Cb -0.05 1.36 0.18 0.00 -1.71 0.00 0.00 66.02 65.80 2e9h s SER 6 CO 0.08 -0.24 0.65 -0.83 1.20 0.00 0.00 173.24 174.11 2e9h s GLY 7 N 0.33 -0.99 -0.02 9.45 0.00 -1.26 -5.13 107.32 109.71 2e9h s GLY 7 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 2e9h s GLY 7 CO -0.00 3.48 1.35 1.06 0.00 0.00 0.00 173.10 178.99 2e9h s MET 8 N 1.07 4.29 -0.16 2.90 1.00 -1.26 -4.99 119.30 122.15 2e9h s MET 8 Ca 0.26 1.88 -0.30 0.00 0.00 0.00 0.00 55.69 57.54 2e9h s MET 8 Cb -0.02 -3.59 0.13 0.00 0.00 0.00 0.00 34.83 31.35 2e9h s MET 8 CO -0.07 -0.56 1.00 -1.54 0.00 0.00 0.00 175.02 173.86 2e9h s SER 9 N 1.82 -0.37 0.24 3.03 1.04 -1.26 -4.16 113.70 114.04 2e9h s SER 9 Ca 0.62 0.40 0.10 0.00 0.48 0.00 0.00 55.95 57.54 2e9h s SER 9 Cb -0.29 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 2e9h s SER 9 CO 0.25 -0.34 -0.18 0.68 0.98 0.00 0.00 173.24 174.63 2e9h s VAL 10 N -1.13 2.16 0.34 5.02 -7.23 -0.73 -4.90 120.40 113.93 2e9h s VAL 10 Ca -0.02 -2.28 -0.24 0.00 -1.81 0.00 0.00 61.98 57.63 2e9h s VAL 10 Cb -0.00 -2.16 -0.15 0.00 0.56 0.00 0.00 36.38 34.62 2e9h s VAL 10 CO 0.01 -0.45 0.48 0.59 -0.31 0.00 0.00 175.10 175.42 2e9h n ASN 11 N -0.42 -1.23 -0.31 4.85 4.13 -1.26 -3.02 115.26 118.00 2e9h n ASN 11 Ca -0.07 0.98 0.29 0.00 1.68 0.00 0.00 54.58 57.45 2e9h n ASN 11 Cb 0.60 -1.03 0.63 0.00 -1.54 0.00 0.00 39.78 38.44 2e9h n ASN 11 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2e9h h VAL 12 N 0.87 0.47 -3.97 2.41 2.07 -1.91 -3.40 116.25 112.79 2e9h h VAL 12 Ca -0.36 -0.07 -0.63 0.00 0.82 0.00 0.00 66.70 66.46 2e9h h VAL 12 Cb 1.42 0.26 -0.23 0.00 -1.52 0.00 0.00 31.29 31.22 2e9h h VAL 12 CO 0.53 0.03 -0.85 0.20 0.02 0.00 0.00 177.57 177.50 2e9h s ASN 13 N -5.25 2.96 0.00 0.57 0.01 -1.26 -4.99 114.94 106.98 2e9h s ASN 13 Ca -0.07 -0.70 0.28 0.00 -0.71 0.00 0.00 52.86 51.66 2e9h s ASN 13 Cb 0.24 -0.20 1.01 0.00 0.41 0.00 0.00 41.25 42.72 2e9h s ASN 13 CO 0.80 0.14 1.73 0.54 -1.51 0.00 0.00 177.10 178.80 2e9h n ARG 14 N 1.12 0.65 -1.84 -0.60 5.12 -1.26 -3.81 116.66 116.03 2e9h n ARG 14 Ca -0.18 -0.29 -0.03 0.00 -1.93 0.00 0.00 57.85 55.41 2e9h n ARG 14 Cb 0.53 -1.49 0.07 0.00 -1.16 0.00 0.00 32.46 30.40 2e9h n ARG 14 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2e9h n SER 15 N -0.92 2.21 -4.75 0.55 2.88 -1.26 -5.08 113.62 107.25 2e9h n SER 15 Ca 0.13 -2.79 -0.40 0.00 -1.33 0.00 0.00 58.87 54.48 2e9h n SER 15 Cb 0.31 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.31 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2e9h s VAL 16 N -2.86 3.80 -0.09 2.46 0.11 -1.25 -4.97 120.40 117.60 2e9h s VAL 16 Ca 0.37 1.81 -0.07 0.00 -2.93 0.00 0.00 61.98 61.15 2e9h s VAL 16 Cb 0.37 -4.15 -0.27 0.00 -1.53 0.00 0.00 36.38 30.79 2e9h s VAL 16 CO -0.06 0.43 0.47 -1.28 -3.33 0.00 0.00 175.10 171.33 2e9h h SER 17 N 4.03 0.46 -3.12 3.54 0.87 -1.98 -3.46 113.55 113.89 2e9h h SER 17 Ca -0.46 -0.91 -0.55 0.00 -1.23 0.00 0.00 61.79 58.64 2e9h h SER 17 Cb 1.21 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 2e9h h SER 17 CO 0.68 1.80 0.67 -1.81 -0.53 0.00 0.00 176.83 177.64 2e9h s ASP 18 N -7.08 7.09 0.27 6.23 1.11 -1.26 -4.91 116.67 118.13 2e9h s ASP 18 Ca -0.20 1.76 0.23 0.00 0.18 0.00 0.00 52.55 54.52 2e9h s ASP 18 Cb 0.06 -2.56 0.23 0.00 1.07 0.00 0.00 42.92 41.73 2e9h s ASP 18 CO 0.80 -0.55 1.34 0.06 1.18 0.00 0.00 175.17 177.99 2e9h h GLN 19 N 7.37 0.00 -1.12 8.23 -0.00 -2.05 -3.31 115.11 124.24 2e9h h GLN 19 Ca -0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.21 2e9h h GLN 19 Cb 1.16 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.58 2e9h h GLN 19 CO 0.87 0.00 0.14 1.19 -0.00 0.00 0.00 178.83 181.03 2e9h n PHE 20 N -2.71 0.61 -1.81 0.06 3.72 -1.26 -4.84 117.46 111.23 2e9h n PHE 20 Ca 0.02 -0.86 -0.20 0.00 -0.05 0.00 0.00 57.45 56.36 2e9h n PHE 20 Cb 0.52 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 2e9h n PHE 20 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2e9h s TYR 21 N -0.66 1.47 0.12 1.38 6.14 -1.25 -4.81 117.35 119.74 2e9h s TYR 21 Ca 0.11 1.30 -0.29 0.00 0.64 0.00 0.00 57.07 58.84 2e9h s TYR 21 Cb 0.10 -3.74 -0.07 0.00 0.42 0.00 0.00 41.96 38.66 2e9h s TYR 21 CO 0.02 -1.67 1.59 -0.09 0.64 0.00 0.00 175.55 176.04 2e9h h ARG 22 N 12.06 -0.51 -6.82 4.97 1.12 -1.95 -3.41 114.38 119.83 2e9h h ARG 22 Ca 0.05 0.04 -0.54 0.00 -1.11 0.00 0.00 59.98 58.41 2e9h h ARG 22 Cb 1.01 0.12 0.09 0.00 -0.01 0.00 0.00 29.97 31.18 2e9h h ARG 22 CO 1.11 -0.34 0.82 0.66 -3.11 0.00 0.00 179.97 179.11 2e9h n TYR 23 N -5.44 2.84 -4.04 2.20 4.01 -1.26 -5.01 117.16 110.46 2e9h n TYR 23 Ca -0.05 0.33 -0.12 0.00 -0.16 0.00 0.00 57.90 57.90 2e9h n TYR 23 Cb 0.36 -2.57 -0.11 0.00 -0.31 0.00 0.00 39.34 36.71 2e9h n TYR 23 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e9h s LYS 24 N -1.02 0.45 0.07 -0.72 -0.14 -1.26 -4.23 119.74 112.89 2e9h s LYS 24 Ca 0.61 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 54.59 2e9h s LYS 24 Cb -0.50 -0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 35.46 2e9h s LYS 24 CO 0.54 0.02 -0.17 0.00 -0.76 0.00 0.00 175.35 174.97 2e9h s MET 25 N -1.50 1.03 0.12 1.68 0.23 -1.17 -4.94 119.30 114.75 2e9h s MET 25 Ca -0.12 -0.99 -0.31 0.00 -1.03 0.00 0.00 55.69 53.25 2e9h s MET 25 Cb -0.10 -1.14 -0.08 0.00 -1.53 0.00 0.00 34.83 31.98 2e9h s MET 25 CO -0.00 0.27 1.36 -1.25 -2.03 0.00 0.00 175.02 173.37 2e9h s PRO 26 N -1.60 4.34 -0.00 3.16 0.04 -1.26 -1.78 135.00 137.90 2e9h s PRO 26 Ca 0.03 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.80 2e9h s PRO 26 Cb -0.09 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 2e9h s PRO 26 CO 0.03 -0.39 1.96 0.54 0.04 0.00 0.00 177.00 179.18 2e9h n ARG 27 N 3.77 2.68 -1.90 4.56 1.74 -1.26 -4.71 116.66 121.54 2e9h n ARG 27 Ca 0.10 0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 57.75 2e9h n ARG 27 Cb 0.43 -2.93 -0.01 0.00 -1.02 0.00 0.00 32.46 28.93 2e9h n ARG 27 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2e9h s LEU 28 N 4.49 4.35 0.22 0.55 0.05 -1.26 -4.99 118.68 122.09 2e9h s LEU 28 Ca 0.90 2.93 0.07 0.00 0.05 0.00 0.00 54.13 58.08 2e9h s LEU 28 Cb -0.50 -3.66 -0.04 0.00 -2.05 0.00 0.00 46.19 39.95 2e9h s LEU 28 CO 0.44 -0.77 0.14 -0.63 -0.55 0.00 0.00 176.35 174.98 2e9h s ILE 29 N -1.04 4.27 -0.03 1.48 1.01 -1.26 -4.94 121.20 120.69 2e9h s ILE 29 Ca 0.52 -1.38 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2e9h s ILE 29 Cb -0.44 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2e9h s ILE 29 CO 0.59 -0.26 0.04 0.00 0.00 0.00 0.00 174.94 175.31 2e9h s ALA 30 N -2.01 0.19 -0.19 9.38 0.00 -1.26 -3.50 121.76 124.37 2e9h s ALA 30 Ca 0.32 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.41 2e9h s ALA 30 Cb -0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 2e9h s ALA 30 CO 0.23 -0.33 0.12 0.21 0.00 0.00 0.00 175.76 175.99 2e9h s LYS 31 N 1.70 4.09 0.05 0.00 2.20 0.49 -4.80 119.74 123.46 2e9h s LYS 31 Ca -0.01 -0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.39 2e9h s LYS 31 Cb -0.12 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2e9h s LYS 31 CO -0.03 0.33 -0.10 0.08 -0.36 0.00 0.00 175.35 175.27 2e9h s VAL 32 N 0.26 0.76 0.09 4.02 1.01 -1.26 -0.83 120.40 124.45 2e9h s VAL 32 Ca 0.08 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2e9h s VAL 32 Cb -0.11 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2e9h s VAL 32 CO -0.01 -0.28 -0.08 -1.61 0.00 0.00 0.00 175.10 173.12 2e9h s GLU 33 N -1.54 0.78 0.61 2.72 2.02 -1.26 -5.01 118.70 117.01 2e9h s GLU 33 Ca -0.06 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2e9h s GLU 33 Cb -0.10 -0.32 0.00 0.00 0.10 0.00 0.00 34.13 33.81 2e9h s GLU 33 CO 0.01 0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2e9h n GLY 34 N 0.44 0.04 2.97 -1.39 0.00 -1.26 -4.00 105.19 101.98 2e9h n GLY 34 Ca -0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 2e9h n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9h s LYS 35 N 0.00 0.42 0.00 1.61 0.00 -1.26 -4.72 119.74 115.80 2e9h s LYS 35 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 55.97 56.42 2e9h s LYS 35 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 37.83 37.62 2e9h s LYS 35 CO 0.00 -0.82 0.00 0.41 0.00 0.00 0.00 175.35 174.94 2e9h n GLY 36 N 5.37 1.60 1.48 0.59 0.00 -1.26 -4.75 105.19 108.22 2e9h n GLY 36 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 2e9h n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e9h n ASN 37 N 1.61 4.71 0.00 1.61 4.13 -1.26 -4.39 115.26 121.66 2e9h n ASN 37 Ca 0.00 -2.51 0.00 0.00 1.68 0.00 0.00 54.58 53.75 2e9h n ASN 37 Cb 0.00 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 38 N 0.72 1.98 3.71 7.41 0.00 -1.26 -5.02 105.19 112.74 2e9h n GLY 38 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 4.09 0.01 -0.61 2.07 -1.26 -4.86 121.20 118.65 2e9h s ILE 39 Ca 0.00 1.52 -0.03 0.00 -1.41 0.00 0.00 60.65 60.73 2e9h s ILE 39 Cb 0.00 -3.97 -0.01 0.00 0.13 0.00 0.00 42.46 38.61 2e9h s ILE 39 CO 0.00 0.13 0.04 -1.59 -1.91 0.00 0.00 174.94 171.60 2e9h s LYS 40 N 0.96 0.38 -0.35 3.50 -2.85 -1.26 -3.88 119.74 116.23 2e9h s LYS 40 Ca 0.58 -0.52 -0.12 0.00 -1.00 0.00 0.00 55.97 54.90 2e9h s LYS 40 Cb -0.29 0.15 -0.00 0.00 -2.06 0.00 0.00 37.83 35.62 2e9h s LYS 40 CO 0.29 -0.08 0.23 0.99 0.10 0.00 0.00 175.35 176.89 2e9h s THR 41 N -1.42 5.08 -0.31 3.79 2.01 -0.69 -4.09 115.64 120.00 2e9h s THR 41 Ca -0.15 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 2e9h s THR 41 Cb -0.09 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.76 2e9h s THR 41 CO 0.00 -0.08 0.11 -0.69 -0.69 0.00 0.00 174.62 173.26 2e9h s VAL 42 N 1.68 4.05 -1.29 3.82 1.01 -0.01 -0.18 120.40 129.47 2e9h s VAL 42 Ca 0.05 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2e9h s VAL 42 Cb -0.18 -3.15 0.08 0.00 0.00 0.00 0.00 36.38 33.13 2e9h s VAL 42 CO 0.09 -0.01 1.72 -0.38 0.00 0.00 0.00 175.10 176.51 2e9h n ILE 43 N 4.88 3.97 0.01 2.22 5.41 -1.06 -0.38 119.36 134.41 2e9h n ILE 43 Ca -0.14 -4.16 -0.10 0.00 1.00 0.00 0.00 62.75 59.35 2e9h n ILE 43 Cb 0.47 -2.36 -0.04 0.00 -0.71 0.00 0.00 39.64 37.00 2e9h n ILE 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2e9h h VAL 44 N 5.47 0.40 0.00 1.39 2.07 -1.82 -1.59 116.25 122.16 2e9h h VAL 44 Ca 0.44 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.91 2e9h h VAL 44 Cb 0.87 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2e9h h VAL 44 CO 1.44 0.00 -0.09 -3.20 0.02 0.00 0.00 177.57 175.74 2e9h n ASN 45 N -5.38 5.10 -0.07 0.57 5.15 -1.26 -4.19 115.26 115.19 2e9h n ASN 45 Ca -0.03 -2.38 -0.13 0.00 -0.60 0.00 0.00 54.58 51.44 2e9h n ASN 45 Cb 0.29 -1.16 -0.10 0.00 -0.53 0.00 0.00 39.78 38.29 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 1.65 0.00 -0.31 1.20 1.85 -1.59 -3.09 114.93 114.64 2e9h h MET 46 Ca 0.05 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.09 2e9h h MET 46 Cb 1.09 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.11 2e9h h MET 46 CO 0.06 0.76 0.00 0.28 -0.40 0.00 0.00 176.91 177.62 2e9h h VAL 47 N -1.00 1.18 0.06 -5.77 2.07 -1.82 -2.25 116.25 108.73 2e9h h VAL 47 Ca -0.08 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2e9h h VAL 47 Cb 0.87 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2e9h h VAL 47 CO -0.05 0.25 -0.03 0.44 0.02 0.00 0.00 177.57 178.20 2e9h h ASP 48 N 0.46 -0.07 -1.18 0.57 5.19 -1.85 0.13 116.42 119.67 2e9h h ASP 48 Ca 0.10 0.00 0.34 0.00 -0.62 0.00 0.00 57.03 56.86 2e9h h ASP 48 Cb 0.30 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 39.73 2e9h h ASP 48 CO 0.01 -0.04 0.78 -0.37 -3.12 0.00 0.00 179.24 176.50 2e9h h VAL 49 N -0.11 0.35 -0.05 -1.35 -1.51 -1.59 0.15 116.25 112.16 2e9h h VAL 49 Ca -0.01 -0.08 -0.04 0.00 -1.23 0.00 0.00 66.70 65.35 2e9h h VAL 49 Cb 0.06 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.34 2e9h h VAL 49 CO 0.01 0.04 -0.13 0.00 -1.23 0.00 0.00 177.57 176.27 2e9h h ALA 50 N 1.57 0.08 -0.66 5.19 0.00 -1.38 -3.14 119.26 120.92 2e9h h ALA 50 Ca 0.68 -0.35 0.18 0.00 0.00 0.00 0.00 54.91 55.41 2e9h h ALA 50 Cb 2.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2e9h h ALA 50 CO -0.29 -0.02 0.47 -0.22 0.00 0.00 0.00 179.25 179.18 2e9h h LYS 51 N -0.37 0.09 -0.51 0.00 3.64 0.21 0.38 116.57 120.01 2e9h h LYS 51 Ca -0.00 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 2e9h h LYS 51 Cb 0.74 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2e9h h LYS 51 CO 0.03 0.06 -0.17 0.00 -2.27 0.00 0.00 179.45 177.09 2e9h h ALA 52 N 1.68 0.73 -0.09 5.00 0.00 -1.30 -2.48 119.26 122.80 2e9h h ALA 52 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2e9h h ALA 52 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2e9h h ALA 52 CO -0.03 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.17 2e9h n LEU 53 N -4.12 0.75 -2.65 0.00 4.77 0.09 -4.85 117.00 110.99 2e9h n LEU 53 Ca 0.01 -0.38 -0.17 0.00 -0.03 0.00 0.00 56.01 55.44 2e9h n LEU 53 Cb 0.44 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2e9h n LEU 53 CO 0.46 0.17 -0.14 0.59 -1.33 0.00 0.00 177.39 177.14 2e9h n ASN 54 N -0.15 -4.47 -4.03 -1.43 4.13 -0.93 -4.95 115.26 103.43 2e9h n ASN 54 Ca 0.03 0.01 -0.11 0.00 1.68 0.00 0.00 54.58 56.20 2e9h n ASN 54 Cb 0.14 -3.74 -0.11 0.00 -1.54 0.00 0.00 39.78 34.53 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2e9h s ARG 55 N -5.27 0.44 0.58 3.52 0.52 -1.02 -4.94 118.95 112.78 2e9h s ARG 55 Ca 0.10 -0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 54.39 2e9h s ARG 55 Cb -0.05 -0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 2e9h s ARG 55 CO 0.12 -0.01 1.12 -1.25 0.02 0.00 0.00 175.30 175.31 2e9h s PRO 56 N -1.74 3.19 0.17 3.54 0.04 -1.26 -3.77 135.00 135.16 2e9h s PRO 56 Ca -0.11 1.55 0.20 0.00 0.04 0.00 0.00 61.00 62.68 2e9h s PRO 56 Cb -0.08 -1.99 0.85 0.00 0.04 0.00 0.00 34.50 33.32 2e9h s PRO 56 CO -0.01 -0.97 1.62 -0.35 0.04 0.00 0.00 177.00 177.33 2e9h n PRO 57 N -1.63 0.13 0.24 0.56 -0.04 -1.26 -2.82 135.00 130.17 2e9h n PRO 57 Ca 0.11 0.37 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 2e9h n PRO 57 Cb 0.51 -1.74 0.59 0.00 -0.04 0.00 0.00 33.50 32.82 2e9h n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2e9h h THR 58 N 0.00 1.03 0.39 0.52 1.35 -1.97 0.53 112.91 114.76 2e9h h THR 58 Ca 0.00 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 2e9h h THR 58 Cb 0.32 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2e9h h THR 58 CO 0.00 0.09 -0.19 1.88 -0.25 0.00 0.00 175.52 177.06 2e9h h TYR 59 N 0.00 -0.48 0.08 4.73 0.05 -1.92 -3.02 116.97 116.41 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 0.17 0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2e9h h TYR 59 CO 0.00 -0.23 -0.04 -1.00 -1.05 0.00 0.00 178.16 175.85 2e9h h PRO 60 N -1.08 -0.10 -0.74 4.88 0.13 -1.71 -2.67 132.00 130.70 2e9h h PRO 60 Ca -0.05 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.25 2e9h h PRO 60 Cb 0.47 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.50 2e9h h PRO 60 CO 0.09 0.35 0.00 1.15 -0.23 0.00 0.00 178.00 179.35 2e9h h THR 61 N -0.60 0.35 -0.43 1.56 2.02 -0.11 0.26 112.91 115.97 2e9h h THR 61 Ca -0.01 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 2e9h h THR 61 Cb 0.50 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2e9h h THR 61 CO 0.02 0.02 -0.09 0.50 0.37 0.00 0.00 175.52 176.34 2e9h h LYS 62 N 0.10 0.76 0.14 6.66 1.63 -1.58 -3.23 116.57 121.06 2e9h h LYS 62 Ca 0.40 -0.24 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2e9h h LYS 62 Cb 0.70 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.22 2e9h h LYS 62 CO -0.65 0.83 -0.45 -0.92 -3.45 0.00 0.00 179.45 174.80 2e9h h TYR 63 N 0.69 -1.30 -0.97 1.91 3.20 -0.13 -2.74 116.97 117.63 2e9h h TYR 63 Ca 0.12 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.11 2e9h h TYR 63 Cb 0.56 0.55 -0.12 0.00 1.54 0.00 0.00 36.73 39.26 2e9h h TYR 63 CO 0.03 -0.52 -0.57 1.19 -1.64 0.00 0.00 178.16 176.65 2e9h n PHE 64 N -5.02 -0.42 -0.32 -3.82 3.72 -0.94 0.47 117.46 111.13 2e9h n PHE 64 Ca -0.08 1.22 0.19 0.00 -0.05 0.00 0.00 57.45 58.74 2e9h n PHE 64 Cb 0.36 -0.59 0.39 0.00 -0.94 0.00 0.00 39.48 38.70 2e9h n PHE 64 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2e9h h GLY 65 N 0.00 1.70 0.31 1.37 0.00 -1.56 0.23 103.07 105.11 2e9h h GLY 65 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2e9h h GLY 65 CO -0.92 -0.50 -0.19 0.00 0.00 0.00 0.00 176.54 174.93 2e9h h GLU 67 N -0.47 0.47 0.00 0.00 5.08 -1.04 0.69 114.58 119.32 2e9h h GLU 67 Ca -0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2e9h h GLU 67 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2e9h h GLU 67 CO 0.04 0.31 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.99 2e9h h LEU 68 N 0.49 0.00 -0.37 1.33 3.38 -0.48 -3.47 115.31 116.19 2e9h h LEU 68 Ca 0.35 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.06 2e9h h LEU 68 Cb 0.44 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.26 2e9h h LEU 68 CO -0.32 0.30 -0.43 0.61 0.09 0.00 0.00 178.44 178.69 2e9h n GLY 69 N 0.13 -0.06 2.04 0.83 0.00 0.63 -5.02 105.19 103.73 2e9h n GLY 69 Ca -0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h n ALA 70 N -3.68 0.30 -2.71 4.61 0.00 -0.60 -5.02 120.51 113.40 2e9h n ALA 70 Ca -0.03 -1.27 -0.22 0.00 0.00 0.00 0.00 53.44 51.92 2e9h n ALA 70 Cb 0.56 0.77 -0.01 0.00 0.00 0.00 0.00 19.45 20.77 2e9h n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2e9h s GLN 71 N -2.99 3.40 0.11 0.00 1.11 -1.26 -4.69 119.66 115.34 2e9h s GLN 71 Ca 0.06 -0.53 0.01 0.00 0.01 0.00 0.00 55.36 54.91 2e9h s GLN 71 Cb 0.00 -2.73 -0.04 0.00 -1.01 0.00 0.00 33.01 29.23 2e9h s GLN 71 CO 0.04 0.19 -0.03 0.95 0.01 0.00 0.00 175.29 176.45 2e9h s THR 72 N -2.23 0.50 -0.09 -0.19 -4.23 -1.26 0.08 115.64 108.22 2e9h s THR 72 Ca 0.39 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2e9h s THR 72 Cb -0.09 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.99 2e9h s THR 72 CO 0.34 -0.77 -0.10 -1.58 -0.54 0.00 0.00 174.62 171.96 2e9h s GLN 73 N -3.90 1.66 -0.19 3.99 0.74 -0.72 -4.95 119.66 116.29 2e9h s GLN 73 Ca 0.15 -0.35 -0.03 0.00 0.05 0.00 0.00 55.36 55.18 2e9h s GLN 73 Cb 0.06 -1.53 -0.01 0.00 1.10 0.00 0.00 33.01 32.64 2e9h s GLN 73 CO -0.03 -0.12 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.46 2e9h s PHE 74 N 1.18 2.93 -0.53 1.67 0.40 -1.26 -1.74 117.98 120.62 2e9h s PHE 74 Ca -0.05 -0.82 0.06 0.00 -0.60 0.00 0.00 56.93 55.53 2e9h s PHE 74 Cb -0.14 -2.02 0.21 0.00 0.51 0.00 0.00 43.02 41.58 2e9h s PHE 74 CO -0.03 -0.42 0.53 -0.25 0.70 0.00 0.00 175.22 175.76 2e9h n ASP 75 N 4.35 1.62 -0.32 1.36 9.92 -0.96 -4.96 116.55 127.56 2e9h n ASP 75 Ca -0.18 -2.93 0.17 0.00 -0.53 0.00 0.00 54.79 51.32 2e9h n ASP 75 Cb 0.51 -0.65 0.37 0.00 -0.64 0.00 0.00 41.12 40.71 2e9h n ASP 75 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2e9h h VAL 76 N 3.50 0.41 -0.59 2.53 2.07 -1.94 0.58 116.25 122.82 2e9h h VAL 76 Ca 0.17 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.68 2e9h h VAL 76 Cb 0.80 -0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 2e9h h VAL 76 CO 0.60 0.07 -0.19 0.11 0.02 0.00 0.00 177.57 178.18 2e9h h LYS 77 N 0.38 -0.04 -0.71 1.57 1.57 -1.96 0.84 116.57 118.22 2e9h h LYS 77 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2e9h h LYS 77 Cb 1.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2e9h h LYS 77 CO -0.56 -0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.38 2e9h n ASN 78 N -5.42 3.94 -3.41 0.86 5.03 0.04 -4.94 115.26 111.36 2e9h n ASN 78 Ca 0.06 -2.00 -0.22 0.00 0.87 0.00 0.00 54.58 53.29 2e9h n ASN 78 Cb 0.33 -0.47 -0.02 0.00 -1.02 0.00 0.00 39.78 38.59 2e9h n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2e9h n ASP 79 N 1.66 -2.58 -4.54 6.41 2.03 0.18 -4.90 116.55 114.80 2e9h n ASP 79 Ca 0.24 -0.36 -0.34 0.00 0.52 0.00 0.00 54.79 54.85 2e9h n ASP 79 Cb 0.63 -2.21 -0.11 0.00 -0.72 0.00 0.00 41.12 38.71 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9h s ARG 80 N -6.03 3.78 -0.22 -0.67 1.70 -1.03 -4.86 118.95 111.61 2e9h s ARG 80 Ca 0.40 -0.45 -0.00 0.00 -0.47 0.00 0.00 55.73 55.20 2e9h s ARG 80 Cb -0.22 -3.06 0.02 0.00 -0.57 0.00 0.00 34.95 31.13 2e9h s ARG 80 CO 0.49 0.22 -0.12 0.71 -1.08 0.00 0.00 175.30 175.51 2e9h s TYR 81 N 0.47 2.96 0.19 5.89 1.51 -1.26 -2.28 117.35 124.84 2e9h s TYR 81 Ca -0.01 -1.61 0.07 0.00 -1.01 0.00 0.00 57.07 54.51 2e9h s TYR 81 Cb -0.14 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2e9h s TYR 81 CO 0.02 -0.76 0.06 0.42 -1.11 0.00 0.00 175.55 174.18 2e9h s ILE 82 N 1.30 3.95 -0.22 2.71 1.01 -0.71 -2.57 121.20 126.67 2e9h s ILE 82 Ca 0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.23 2e9h s ILE 82 Cb -0.15 -3.03 0.07 0.00 0.01 0.00 0.00 42.46 39.36 2e9h s ILE 82 CO -0.08 -0.17 0.08 -0.69 0.00 0.00 0.00 174.94 174.08 2e9h s VAL 83 N -1.86 0.25 0.31 2.92 1.01 0.75 -1.76 120.40 122.03 2e9h s VAL 83 Ca 0.29 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2e9h s VAL 83 Cb -0.09 -0.97 -0.14 0.00 0.00 0.00 0.00 36.38 35.19 2e9h s VAL 83 CO 0.21 -0.41 0.98 0.59 0.00 0.00 0.00 175.10 176.47 2e9h n ASN 84 N 5.14 1.18 0.00 3.32 4.13 0.11 -1.71 115.26 127.43 2e9h n ASN 84 Ca -0.07 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.34 2e9h n ASN 84 Cb 0.46 -1.29 0.00 0.00 -1.54 0.00 0.00 39.78 37.41 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 85 N 1.24 2.11 3.69 7.41 0.00 -1.25 -4.51 105.19 113.88 2e9h n GLY 85 Ca 0.10 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 2e9h n GLY 85 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9h s SER 86 N -0.03 6.49 -0.01 1.61 1.04 -1.26 -1.80 113.70 119.74 2e9h s SER 86 Ca 0.00 0.58 -0.09 0.00 0.48 0.00 0.00 55.95 56.92 2e9h s SER 86 Cb 0.00 -2.24 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2e9h s SER 86 CO 0.00 -0.03 0.19 -1.00 0.98 0.00 0.00 173.24 173.38 2e9h s HIS 87 N 1.01 -0.05 -0.00 5.02 3.76 -1.26 -5.00 115.29 118.77 2e9h s HIS 87 Ca 0.20 0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 55.13 2e9h s HIS 87 Cb -0.14 0.00 -0.04 0.00 1.11 0.00 0.00 32.58 33.51 2e9h s HIS 87 CO 0.08 -0.29 0.21 -1.83 -0.85 0.00 0.00 174.74 172.06 2e9h s GLU 88 N -1.16 3.49 0.27 1.40 -1.05 -1.26 -4.87 118.70 115.52 2e9h s GLU 88 Ca -0.12 -0.24 -0.00 0.00 -0.15 0.00 0.00 54.97 54.46 2e9h s GLU 88 Cb -0.06 -3.09 0.57 0.00 -0.44 0.00 0.00 34.13 31.11 2e9h s GLU 88 CO 0.02 0.66 1.73 0.00 0.95 0.00 0.00 175.26 178.63 2e9h h ALA 89 N 3.87 1.27 -0.85 -0.84 0.00 -1.92 0.01 119.26 120.79 2e9h h ALA 89 Ca -0.49 0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.70 2e9h h ALA 89 Cb 1.19 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 2e9h h ALA 89 CO 0.68 -0.19 0.40 -0.97 0.00 0.00 0.00 179.25 179.17 2e9h h ASN 90 N 0.51 0.42 0.45 0.00 -1.24 -1.94 -1.62 115.58 112.17 2e9h h ASN 90 Ca 0.48 0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.58 2e9h h ASN 90 Cb 0.76 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.88 2e9h h ASN 90 CO -0.42 0.12 -0.22 0.50 -1.29 0.00 0.00 177.43 176.13 2e9h h LYS 91 N 0.52 -0.58 -0.90 6.67 3.64 -1.41 -2.89 116.57 121.62 2e9h h LYS 91 Ca 0.49 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 60.15 2e9h h LYS 91 Cb 0.80 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 32.59 2e9h h LYS 91 CO -0.43 -0.28 0.14 -0.07 -2.27 0.00 0.00 179.45 176.54 2e9h h LEU 92 N -0.91 -0.21 -1.80 5.20 3.38 -1.00 1.53 115.31 121.50 2e9h h LEU 92 Ca -0.06 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2e9h h LEU 92 Cb 0.57 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2e9h h LEU 92 CO 0.10 -0.24 -0.13 1.56 0.09 0.00 0.00 178.44 179.82 2e9h h GLN 93 N 0.11 0.00 0.00 1.13 1.08 -1.27 0.62 115.11 116.78 2e9h h GLN 93 Ca 0.56 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.72 2e9h h GLN 93 Cb 1.13 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 2e9h h GLN 93 CO -0.75 0.13 -0.23 -0.44 -0.95 0.00 0.00 178.83 176.59 2e9h h ASP 94 N 0.00 0.00 -0.32 1.46 3.32 0.21 -3.17 116.42 117.92 2e9h h ASP 94 Ca -0.00 -0.47 0.05 0.00 0.02 0.00 0.00 57.03 56.63 2e9h h ASP 94 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2e9h h ASP 94 CO 0.02 0.86 0.22 0.00 -1.72 0.00 0.00 179.24 178.62 2e9h h MET 95 N -1.00 0.20 -0.30 3.56 -0.00 -0.28 -2.00 114.93 115.11 2e9h h MET 95 Ca -0.05 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.59 2e9h h MET 95 Cb 0.64 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.18 2e9h h MET 95 CO -0.03 0.13 -0.02 1.25 -0.00 0.00 0.00 176.91 178.24 2e9h h LEU 96 N 0.21 0.54 -0.63 -0.10 5.85 -1.00 -3.26 115.31 116.91 2e9h h LEU 96 Ca 0.14 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2e9h h LEU 96 Cb 0.30 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 2e9h h LEU 96 CO -0.02 0.74 -0.37 -0.67 -0.34 0.00 0.00 178.44 177.77 2e9h n ASP 97 N -4.54 -0.67 -0.31 1.25 2.03 -0.75 0.45 116.55 114.01 2e9h n ASP 97 Ca -0.03 1.19 0.02 0.00 0.52 0.00 0.00 54.79 56.49 2e9h n ASP 97 Cb 0.28 -0.18 0.07 0.00 -0.72 0.00 0.00 41.12 40.57 2e9h n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e9h n GLY 98 N -1.16 -1.56 0.10 0.27 0.00 -1.23 0.10 105.19 101.71 2e9h n GLY 98 Ca 0.01 0.91 -0.04 0.00 0.00 0.00 0.00 46.02 46.91 2e9h n GLY 98 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2e9h h PHE 99 N 0.00 -0.24 -0.10 1.61 3.57 -0.18 -2.37 116.94 119.23 2e9h h PHE 99 Ca 0.34 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.87 2e9h h PHE 99 Cb 0.55 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 2e9h h PHE 99 CO -0.69 -0.14 0.39 0.82 -2.23 0.00 0.00 178.31 176.47 2e9h h ILE 100 N -0.22 0.09 0.00 1.41 2.04 -0.99 0.28 117.51 120.11 2e9h h ILE 100 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2e9h h ILE 100 Cb 0.18 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2e9h h ILE 100 CO 0.02 0.00 -0.03 0.50 0.00 0.00 0.00 178.15 178.64 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 3.11 0.12 0.22 116.57 122.39 2e9h h LYS 101 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2e9h h LYS 101 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2e9h h LYS 101 CO -0.00 0.03 0.00 0.36 -2.81 0.00 0.00 179.45 177.03 2e9h n LYS 102 N -4.34 0.00 -0.05 1.90 2.85 0.67 -4.26 118.16 114.92 2e9h n LYS 102 Ca -0.03 0.00 0.21 0.00 -1.05 0.00 0.00 58.31 57.44 2e9h n LYS 102 Cb 0.12 -0.15 0.39 0.00 -0.65 0.00 0.00 35.03 34.74 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2e9h h PHE 103 N 0.00 0.00 0.00 5.58 -1.00 -0.89 -3.08 116.94 117.55 2e9h h PHE 103 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2e9h h PHE 103 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2e9h h PHE 103 CO 0.00 0.00 -0.04 0.28 -1.61 0.00 0.00 178.31 176.94 2e9h n VAL 104 N -3.13 0.24 -0.34 -0.55 0.31 -1.21 -4.96 118.33 108.70 2e9h n VAL 104 Ca 0.16 0.15 -0.28 0.00 -0.01 0.00 0.00 64.34 64.37 2e9h n VAL 104 Cb 1.29 -1.23 0.26 0.00 -0.91 0.00 0.00 33.84 33.25 2e9h n VAL 104 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2e9h n LEU 105 N -2.73 0.00 -4.25 7.52 4.77 0.77 -4.24 117.00 118.85 2e9h n LEU 105 Ca -0.01 -0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 54.83 2e9h n LEU 105 Cb 0.02 -0.91 -0.16 0.00 -2.33 0.00 0.00 43.42 40.04 2e9h n LEU 105 CO 0.01 -2.62 -0.55 0.00 -1.33 0.00 0.00 177.39 172.89 2e9h n PRO 107 N 2.89 0.49 0.04 0.00 -0.04 -1.26 -0.07 135.00 137.04 2e9h n PRO 107 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2e9h n PRO 107 Cb 0.52 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.73 0.00 0.03 0.54 -0.58 -1.26 -4.86 120.64 113.78 2e9h n GLU 108 Ca 0.05 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.82 2e9h n GLU 108 Cb 0.02 -0.30 -0.08 0.00 -0.57 0.00 0.00 31.44 30.51 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -2.75 -1.19 -3.75 0.00 2.13 0.89 -4.89 120.64 111.08 2e9h n GLU 110 Ca -0.09 0.36 -0.37 0.00 0.66 0.00 0.00 57.16 57.73 2e9h n GLU 110 Cb 0.77 -4.19 -0.07 0.00 0.27 0.00 0.00 31.44 28.23 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2e9h s ASN 111 N -2.76 6.40 0.00 4.31 3.84 -1.26 -4.38 114.94 121.09 2e9h s ASN 111 Ca 0.05 0.48 0.16 0.00 0.21 0.00 0.00 52.86 53.76 2e9h s ASN 111 Cb -0.02 -2.11 0.91 0.00 -0.55 0.00 0.00 41.25 39.47 2e9h s ASN 111 CO 0.07 0.30 1.35 -0.81 -2.79 0.00 0.00 177.10 175.22 2e9h n PRO 112 N 2.54 0.45 -3.21 0.43 -0.04 -1.26 -2.79 135.00 131.11 2e9h n PRO 112 Ca -0.17 0.02 -0.45 0.00 -0.04 0.00 0.00 63.50 62.86 2e9h n PRO 112 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.08 3.94 0.34 0.54 0.41 -1.26 -4.70 118.70 115.88 2e9h s GLU 113 Ca 0.22 -2.71 0.07 0.00 -0.41 0.00 0.00 54.97 52.14 2e9h s GLU 113 Cb 0.11 -4.66 -0.03 0.00 -1.78 0.00 0.00 34.13 27.77 2e9h s GLU 113 CO 0.19 -1.42 0.26 0.95 -0.49 0.00 0.00 175.26 174.75 2e9h s THR 114 N 0.15 0.08 0.14 3.63 -4.23 -1.26 -4.32 115.64 109.83 2e9h s THR 114 Ca 0.29 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.85 2e9h s THR 114 Cb -0.08 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2e9h s THR 114 CO -0.07 0.00 -0.11 -0.62 -0.54 0.00 0.00 174.62 173.28 2e9h s ASP 115 N -3.41 1.81 -0.02 3.99 2.15 -0.82 -5.02 116.67 115.35 2e9h s ASP 115 Ca 0.38 -0.98 0.04 0.00 0.43 0.00 0.00 52.55 52.42 2e9h s ASP 115 Cb 0.02 -0.02 -0.01 0.00 -0.30 0.00 0.00 42.92 42.62 2e9h s ASP 115 CO 0.26 -0.31 -0.14 -0.76 -0.17 0.00 0.00 175.17 174.04 2e9h s LEU 116 N -3.07 1.97 0.01 -1.34 1.43 -1.26 -1.69 118.68 114.72 2e9h s LEU 116 Ca 0.16 -0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2e9h s LEU 116 Cb 0.02 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2e9h s LEU 116 CO 0.01 0.16 -0.24 -1.00 0.23 0.00 0.00 176.35 175.51 2e9h s HIS 117 N -0.18 2.12 0.08 0.29 3.76 0.12 -4.99 115.29 116.50 2e9h s HIS 117 Ca 0.02 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 2e9h s HIS 117 Cb -0.07 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 2e9h s HIS 117 CO 0.00 0.02 -0.21 0.54 -0.85 0.00 0.00 174.74 174.24 2e9h s VAL 118 N -0.65 1.75 -0.24 -0.90 0.11 -1.26 -0.97 120.40 118.24 2e9h s VAL 118 Ca 0.09 -1.44 -0.01 0.00 -2.93 0.00 0.00 61.98 57.69 2e9h s VAL 118 Cb -0.09 -1.56 0.07 0.00 -1.53 0.00 0.00 36.38 33.27 2e9h s VAL 118 CO 0.00 0.05 0.03 0.20 -3.33 0.00 0.00 175.10 172.05 2e9h s ASN 119 N -1.66 3.46 0.00 3.54 0.01 -1.05 -4.98 114.94 114.26 2e9h s ASN 119 Ca 0.07 -1.15 0.15 0.00 -0.71 0.00 0.00 52.86 51.22 2e9h s ASN 119 Cb -0.10 -0.82 0.70 0.00 0.41 0.00 0.00 41.25 41.44 2e9h s ASN 119 CO 0.03 -0.32 1.43 -0.81 -1.51 0.00 0.00 177.10 175.92 2e9h n PRO 120 N 4.90 0.13 -0.13 -0.60 -0.04 -1.26 0.50 135.00 138.49 2e9h n PRO 120 Ca -0.08 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.32 2e9h n PRO 120 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 2e9h n PRO 120 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2e9h n LYS 121 N -1.37 0.62 0.08 0.54 3.00 -1.26 -4.49 118.16 115.29 2e9h n LYS 121 Ca 0.06 0.22 0.12 0.00 -0.00 0.00 0.00 58.31 58.71 2e9h n LYS 121 Cb 0.14 -1.51 0.15 0.00 0.00 0.00 0.00 35.03 33.81 2e9h n LYS 121 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2e9h h LYS 122 N -0.57 0.00 -5.80 1.64 1.79 -1.97 -3.48 116.57 108.18 2e9h h LYS 122 Ca -0.65 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.46 2e9h h LYS 122 Cb 1.74 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 32.52 2e9h h LYS 122 CO -0.28 0.00 -0.78 1.04 -1.08 0.00 0.00 179.45 178.35 2e9h n GLN 123 N -2.30 -6.26 -3.89 3.15 3.00 0.18 -5.01 117.38 106.25 2e9h n GLN 123 Ca 0.03 0.78 -0.11 0.00 -0.01 0.00 0.00 57.00 57.69 2e9h n GLN 123 Cb 0.47 -5.68 -0.12 0.00 0.00 0.00 0.00 30.24 24.91 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2e9h s THR 124 N -3.44 0.05 -0.30 5.09 -4.23 -1.21 -5.00 115.64 106.60 2e9h s THR 124 Ca 0.07 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 2e9h s THR 124 Cb -0.03 -0.25 0.02 0.00 1.34 0.00 0.00 72.50 73.58 2e9h s THR 124 CO 0.75 -0.24 0.08 -0.63 -0.54 0.00 0.00 174.62 174.05 2e9h s ILE 125 N -0.74 3.86 -0.11 2.99 1.01 -1.26 -2.53 121.20 124.41 2e9h s ILE 125 Ca -0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2e9h s ILE 125 Cb -0.05 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 2e9h s ILE 125 CO 0.00 0.02 -0.03 -0.83 0.00 0.00 0.00 174.94 174.10 2e9h s GLY 126 N 1.47 1.75 0.08 6.18 0.00 -0.15 0.06 107.32 116.72 2e9h s GLY 126 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2e9h s GLY 126 CO 0.02 -0.40 0.23 0.54 0.00 0.00 0.00 173.10 173.48 2e9h s ASN 127 N -0.38 6.35 -0.13 1.64 2.20 -1.24 0.14 114.94 123.53 2e9h s ASN 127 Ca 0.06 0.24 -0.04 0.00 -0.94 0.00 0.00 52.86 52.19 2e9h s ASN 127 Cb -0.12 -1.94 0.05 0.00 -2.00 0.00 0.00 41.25 37.24 2e9h s ASN 127 CO 0.02 0.14 0.10 -0.94 -2.94 0.00 0.00 177.10 173.49 2e9h s SER 128 N -2.68 1.76 0.20 3.54 1.04 -0.68 -2.86 113.70 114.02 2e9h s SER 128 Ca 0.35 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.44 2e9h s SER 128 Cb -0.13 -0.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 2e9h s SER 128 CO 0.28 -0.31 0.44 0.00 0.98 0.00 0.00 173.24 174.63 2e9h n LYS 130 N -0.37 1.04 -0.26 0.00 2.85 -1.26 -3.39 118.16 116.78 2e9h n LYS 130 Ca -0.02 0.03 -0.07 0.00 -1.05 0.00 0.00 58.31 57.20 2e9h n LYS 130 Cb 0.53 -1.17 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2e9h h ALA 131 N 0.10 -0.25 0.00 0.58 0.00 -1.96 -3.29 119.26 114.44 2e9h h ALA 131 Ca -0.18 0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.51 2e9h h ALA 131 Cb 1.32 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 20.05 2e9h h ALA 131 CO -0.02 -0.80 -2.25 0.00 0.00 0.00 0.00 179.25 176.18 2e9h n GLY 133 N 1.98 0.59 3.47 0.00 0.00 -1.24 -5.13 105.19 104.85 2e9h n GLY 133 Ca -0.42 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2e9h n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2e9h s TYR 134 N -0.52 2.56 0.06 1.61 6.14 -1.22 -4.96 117.35 121.03 2e9h s TYR 134 Ca 0.00 -0.25 -0.15 0.00 0.64 0.00 0.00 57.07 57.30 2e9h s TYR 134 Cb 0.00 -1.44 0.03 0.00 0.42 0.00 0.00 41.96 40.97 2e9h s TYR 134 CO 0.00 0.28 0.35 1.03 0.64 0.00 0.00 175.55 177.85 2e9h s ARG 135 N -1.59 0.90 0.00 4.97 0.52 -1.26 -0.24 118.95 122.24 2e9h s ARG 135 Ca 0.15 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 2e9h s ARG 135 Cb -0.11 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.76 2e9h s ARG 135 CO 0.06 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.49 2e9h n GLY 136 N 0.36 -0.80 3.08 -3.53 0.00 -1.14 -5.03 105.19 98.13 2e9h n GLY 136 Ca -0.18 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 2e9h n GLY 136 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 137 N -0.83 0.89 -0.18 1.61 0.23 -1.26 -3.61 119.30 116.15 2e9h s MET 137 Ca 0.00 -0.51 -0.09 0.00 -1.03 0.00 0.00 55.69 54.06 2e9h s MET 137 Cb 0.00 -0.87 -0.05 0.00 -1.53 0.00 0.00 34.83 32.39 2e9h s MET 137 CO 0.00 0.23 0.11 -0.51 -2.03 0.00 0.00 175.02 172.82 2e9h s LEU 138 N -0.55 4.11 -0.31 0.18 1.43 0.11 -4.90 118.68 118.75 2e9h s LEU 138 Ca 0.03 0.21 -0.39 0.00 -1.03 0.00 0.00 54.13 52.95 2e9h s LEU 138 Cb -0.05 -2.05 -0.15 0.00 0.03 0.00 0.00 46.19 43.97 2e9h s LEU 138 CO 0.00 0.21 1.91 -0.67 0.23 0.00 0.00 176.35 178.02 2e9h n ASP 139 N 3.34 2.23 -4.59 2.29 2.03 -1.26 -4.37 116.55 116.22 2e9h n ASP 139 Ca -0.17 0.86 -0.48 0.00 0.52 0.00 0.00 54.79 55.52 2e9h n ASP 139 Cb 0.52 -1.16 -0.05 0.00 -0.72 0.00 0.00 41.12 39.71 2e9h n ASP 139 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2e9h n THR 140 N 5.49 0.40 -0.23 5.18 -1.04 -1.26 -4.93 114.28 117.88 2e9h n THR 140 Ca 0.33 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.97 2e9h n THR 140 Cb 0.15 -1.91 0.14 0.00 -1.82 0.00 0.00 70.33 66.88 2e9h n THR 140 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 2e9h n HIS 141 N 8.63 -2.52 0.00 -1.42 -0.00 -1.26 -4.98 115.22 113.67 2e9h n HIS 141 Ca 0.30 -0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2e9h n HIS 141 Cb 0.30 -0.82 0.00 0.00 -0.12 0.00 0.00 29.99 29.35 2e9h n HIS 141 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2e9h n HIS 142 N -4.23 0.00 -0.10 1.57 -0.00 -1.26 -4.50 115.22 106.70 2e9h n HIS 142 Ca 0.06 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 58.05 2e9h n HIS 142 Cb 0.28 -0.23 -0.09 0.00 -0.12 0.00 0.00 29.99 29.83 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2e9h n LYS 143 N -1.71 0.55 -0.34 1.57 4.81 -1.26 -4.40 118.16 117.37 2e9h n LYS 143 Ca 0.00 0.53 -0.01 0.00 -0.87 0.00 0.00 58.31 57.95 2e9h n LYS 143 Cb 0.00 -1.70 0.03 0.00 0.02 0.00 0.00 35.03 33.37 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2e9h n LEU 144 N -4.45 -0.60 -0.30 3.14 7.94 -1.26 0.76 117.00 122.24 2e9h n LEU 144 Ca -0.30 1.55 0.16 0.00 -1.11 0.00 0.00 56.01 56.31 2e9h n LEU 144 Cb 0.62 -0.35 0.30 0.00 0.53 0.00 0.00 43.42 44.53 2e9h n LEU 144 CO 0.16 -1.39 0.73 0.00 -1.11 0.00 0.00 177.39 175.78 2e9h h THR 146 N 0.00 0.96 -0.11 0.00 2.02 0.12 -0.30 112.91 115.60 2e9h h THR 146 Ca 0.57 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.74 2e9h h THR 146 Cb 1.25 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2e9h h THR 146 CO -0.79 0.00 0.03 0.15 0.37 0.00 0.00 175.52 175.28 2e9h h PHE 147 N -0.00 0.18 -0.26 3.16 3.04 0.66 -1.10 116.94 122.61 2e9h h PHE 147 Ca 0.02 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.00 2e9h h PHE 147 Cb 0.03 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.43 2e9h h PHE 147 CO -0.10 0.33 -0.11 0.82 -2.02 0.00 0.00 178.31 177.22 2e9h h ILE 148 N -0.02 0.64 0.88 1.41 2.04 -0.48 -0.82 117.51 121.16 2e9h h ILE 148 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 2e9h h ILE 148 Cb 0.23 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2e9h h ILE 148 CO -0.00 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.65 2e9h h LEU 149 N -0.07 -1.01 -0.85 1.44 3.38 -1.00 -2.96 115.31 114.24 2e9h h LEU 149 Ca 0.13 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.33 2e9h h LEU 149 Cb 0.28 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 41.13 2e9h h LEU 149 CO -0.31 -0.69 -0.06 0.11 0.09 0.00 0.00 178.44 177.58 2e9h h LYS 150 N -1.24 0.05 -4.09 1.13 1.57 -1.04 -3.33 116.57 109.62 2e9h h LYS 150 Ca -0.12 -0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.06 2e9h h LYS 150 Cb 0.91 -0.01 -0.39 0.00 0.08 0.00 0.00 32.23 32.82 2e9h h LYS 150 CO 0.20 0.03 -0.77 0.54 -0.57 0.00 0.00 179.45 178.88 2e9h s ASN 151 N -5.17 3.83 1.01 0.86 2.20 -0.33 -5.10 114.94 112.25 2e9h s ASN 151 Ca -0.14 -1.32 -0.12 0.00 -0.94 0.00 0.00 52.86 50.34 2e9h s ASN 151 Cb 0.25 -1.06 0.20 0.00 -2.00 0.00 0.00 41.25 38.63 2e9h s ASN 151 CO 0.76 -0.30 1.09 -2.16 -2.94 0.00 0.00 177.10 173.55 2e9h s PRO 152 N 1.46 0.31 0.04 3.55 0.04 -1.13 -4.44 135.00 134.84 2e9h s PRO 152 Ca 0.00 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.23 2e9h s PRO 152 Cb -0.18 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 2e9h s PRO 152 CO -0.11 -2.81 1.41 -1.25 0.04 0.00 0.00 177.00 174.29 2e9h s PRO 153 N -4.96 4.29 0.05 0.56 0.04 -1.26 -5.03 135.00 128.69 2e9h s PRO 153 Ca 0.66 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.75 2e9h s PRO 153 Cb -0.19 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.85 2e9h s PRO 153 CO 0.58 -0.53 0.01 -2.00 0.04 0.00 0.00 177.00 175.10 2e9h s GLU 154 N 1.96 2.70 -0.79 4.56 2.12 -1.26 -5.00 118.70 122.99 2e9h s GLU 154 Ca 0.65 -0.72 -0.36 0.00 0.36 0.00 0.00 54.97 54.90 2e9h s GLU 154 Cb -0.34 -2.63 -0.21 0.00 0.26 0.00 0.00 34.13 31.22 2e9h s GLU 154 CO 0.28 0.58 2.46 0.09 -0.54 0.00 0.00 175.26 178.14 2e9h n ASN 155 N 0.92 0.49 0.00 -1.70 3.02 -1.26 -4.78 115.26 111.95 2e9h n ASN 155 Ca -0.12 0.39 -0.17 0.00 -0.03 0.00 0.00 54.58 54.64 2e9h n ASN 155 Cb 0.52 -0.91 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 2e9h n ASN 155 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2e9h h SER 156 N 10.76 0.36 -0.01 6.41 0.87 -1.94 -3.54 113.55 126.46 2e9h h SER 156 Ca -0.07 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 2e9h h SER 156 Cb 1.36 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2e9h h SER 156 CO 1.26 1.20 0.00 0.47 -0.53 0.00 0.00 176.83 179.23