#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h n SER 2 N 0.00 3.00 -0.21 1.61 2.88 -1.26 -4.85 113.62 114.80 2e9h n SER 2 Ca 0.00 0.60 -0.06 0.00 -1.33 0.00 0.00 58.87 58.07 2e9h n SER 2 Cb 0.00 -1.39 0.03 0.00 -0.75 0.00 0.00 64.21 62.11 2e9h n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2e9h h SER 3 N 11.75 0.69 0.00 -3.46 4.64 -2.11 -3.44 113.55 121.62 2e9h h SER 3 Ca -0.40 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2e9h h SER 3 Cb 1.28 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2e9h h SER 3 CO 0.97 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 178.06 2e9h n GLY 4 N -1.21 -0.22 3.55 -0.77 0.00 -1.26 -5.15 105.19 100.13 2e9h n GLY 4 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 5 N -4.40 -0.67 -0.15 1.61 0.15 -1.26 -5.16 113.70 103.83 2e9h s SER 5 Ca 0.00 1.11 -0.10 0.00 0.70 0.00 0.00 55.95 57.65 2e9h s SER 5 Cb 0.00 1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 65.34 2e9h s SER 5 CO 0.00 -0.36 0.19 -0.55 1.20 0.00 0.00 173.24 173.73 2e9h s SER 6 N -0.19 6.36 -0.66 5.45 0.15 -1.26 -4.99 113.70 118.57 2e9h s SER 6 Ca -0.04 0.43 -0.36 0.00 0.70 0.00 0.00 55.95 56.67 2e9h s SER 6 Cb -0.03 -2.12 -0.18 0.00 -1.71 0.00 0.00 66.02 61.98 2e9h s SER 6 CO 0.04 0.24 2.38 0.61 1.20 0.00 0.00 173.24 177.71 2e9h n GLY 7 N 2.89 -0.14 3.51 9.45 0.00 -1.26 -4.85 105.19 114.79 2e9h n GLY 7 Ca -0.16 1.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.77 2e9h n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e9h s MET 8 N 7.34 1.99 0.08 1.61 0.00 -1.26 -5.17 119.30 123.89 2e9h s MET 8 Ca 1.22 -1.79 0.03 0.00 0.00 0.00 0.00 55.69 55.16 2e9h s MET 8 Cb -1.19 0.46 -0.04 0.00 0.00 0.00 0.00 34.83 34.06 2e9h s MET 8 CO 0.54 -0.84 0.07 -1.54 0.00 0.00 0.00 175.02 173.25 2e9h s SER 9 N -3.25 5.47 0.28 -1.18 1.04 -1.26 -4.36 113.70 110.44 2e9h s SER 9 Ca 0.30 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.77 2e9h s SER 9 Cb -0.01 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 2e9h s SER 9 CO 0.21 0.17 0.21 0.68 0.98 0.00 0.00 173.24 175.50 2e9h s VAL 10 N -1.38 4.10 0.33 5.02 -7.23 -0.93 -4.87 120.40 115.43 2e9h s VAL 10 Ca 0.29 -1.43 -0.28 0.00 -1.81 0.00 0.00 61.98 58.75 2e9h s VAL 10 Cb -0.12 -3.30 -0.13 0.00 0.56 0.00 0.00 36.38 33.39 2e9h s VAL 10 CO 0.22 -0.30 1.26 0.59 -0.31 0.00 0.00 175.10 176.56 2e9h n ASN 11 N -1.22 2.58 -0.29 4.85 4.13 -1.26 -2.33 115.26 121.71 2e9h n ASN 11 Ca -0.06 1.20 0.21 0.00 1.68 0.00 0.00 54.58 57.61 2e9h n ASN 11 Cb 0.59 -1.45 0.39 0.00 -1.54 0.00 0.00 39.78 37.76 2e9h n ASN 11 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2e9h n VAL 12 N 0.45 -0.37 -4.52 2.41 0.31 -1.24 -4.25 118.33 111.12 2e9h n VAL 12 Ca 0.06 1.86 -0.30 0.00 -0.01 0.00 0.00 64.34 65.95 2e9h n VAL 12 Cb 0.35 -2.87 -0.12 0.00 -0.91 0.00 0.00 33.84 30.29 2e9h n VAL 12 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2e9h s ASN 13 N -4.79 3.94 0.35 4.52 0.01 -1.26 -4.97 114.94 112.74 2e9h s ASN 13 Ca -0.10 -0.43 0.23 0.00 -0.71 0.00 0.00 52.86 51.86 2e9h s ASN 13 Cb 0.28 -0.66 0.36 0.00 0.41 0.00 0.00 41.25 41.64 2e9h s ASN 13 CO 0.69 0.23 1.53 0.03 -1.51 0.00 0.00 177.10 178.07 2e9h h ARG 14 N 4.27 0.00 -1.44 -0.60 2.47 -1.95 -3.31 114.38 113.83 2e9h h ARG 14 Ca -0.48 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.61 2e9h h ARG 14 Cb 1.16 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 29.10 2e9h h ARG 14 CO 0.48 0.00 -0.21 0.45 0.56 0.00 0.00 179.97 181.25 2e9h n SER 15 N -2.86 5.64 -4.77 7.04 2.88 -1.26 -5.02 113.62 115.26 2e9h n SER 15 Ca 0.04 -3.76 -0.36 0.00 -1.33 0.00 0.00 58.87 53.46 2e9h n SER 15 Cb 0.51 -0.62 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 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 -5.20 5.40 0.04 2.46 0.11 -1.25 -5.00 120.40 116.96 2e9h s VAL 16 Ca 0.51 0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 59.55 2e9h s VAL 16 Cb 0.42 -3.42 -0.17 0.00 -1.53 0.00 0.00 36.38 31.68 2e9h s VAL 16 CO -0.18 0.50 1.24 0.77 -3.33 0.00 0.00 175.10 174.10 2e9h h SER 17 N 6.09 0.58 -1.42 3.54 4.64 -1.95 -3.40 113.55 121.62 2e9h h SER 17 Ca -0.46 -0.62 -0.42 0.00 -0.47 0.00 0.00 61.79 59.82 2e9h h SER 17 Cb 1.18 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.05 2e9h h SER 17 CO 0.69 1.10 1.08 -0.62 -0.87 0.00 0.00 176.83 178.22 2e9h s ASP 18 N -6.58 5.33 0.54 4.97 2.15 -1.26 -4.79 116.67 117.02 2e9h s ASP 18 Ca -0.13 -0.23 0.36 0.00 0.43 0.00 0.00 52.55 52.98 2e9h s ASP 18 Cb 0.05 -2.55 1.85 0.00 -0.30 0.00 0.00 42.92 41.97 2e9h s ASP 18 CO 0.81 -2.46 2.09 0.06 -0.17 0.00 0.00 175.17 175.50 2e9h h GLN 19 N 12.88 0.00 -0.99 4.34 3.07 -2.03 -1.73 115.11 130.64 2e9h h GLN 19 Ca -0.09 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.34 2e9h h GLN 19 Cb 1.08 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 28.45 2e9h h GLN 19 CO 1.23 0.00 0.40 1.19 0.09 0.00 0.00 178.83 181.74 2e9h n PHE 20 N -2.83 1.90 -1.57 0.06 3.01 -1.26 -4.97 117.46 111.80 2e9h n PHE 20 Ca -0.02 -1.31 -0.63 0.00 1.01 0.00 0.00 57.45 56.50 2e9h n PHE 20 Cb 0.12 -0.68 -0.10 0.00 -0.01 0.00 0.00 39.48 38.81 2e9h n PHE 20 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2e9h n TYR 21 N -0.50 1.60 0.35 1.38 4.19 -0.65 -4.84 117.16 118.68 2e9h n TYR 21 Ca 0.37 0.92 -0.18 0.00 3.31 0.00 0.00 57.90 62.32 2e9h n TYR 21 Cb 1.22 -2.29 -0.09 0.00 0.49 0.00 0.00 39.34 38.67 2e9h n TYR 21 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2e9h h ARG 22 N 6.89 -0.90 -6.52 2.98 1.12 -1.93 -3.41 114.38 112.60 2e9h h ARG 22 Ca -0.33 0.06 -0.53 0.00 -1.11 0.00 0.00 59.98 58.08 2e9h h ARG 22 Cb 1.38 0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 31.54 2e9h h ARG 22 CO 1.02 -0.60 0.48 0.71 -3.11 0.00 0.00 179.97 178.46 2e9h s TYR 23 N -6.01 3.56 0.15 2.20 2.02 -1.26 -5.04 117.35 112.97 2e9h s TYR 23 Ca -0.18 1.52 0.09 0.00 -0.37 0.00 0.00 57.07 58.13 2e9h s TYR 23 Cb 0.04 -3.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 2e9h s TYR 23 CO 0.62 -0.68 -0.20 0.15 -1.57 0.00 0.00 175.55 173.86 2e9h s LYS 24 N 0.57 1.29 0.01 -0.62 -0.14 -1.26 -3.61 119.74 115.97 2e9h s LYS 24 Ca 0.54 -1.37 0.04 0.00 -1.36 0.00 0.00 55.97 53.82 2e9h s LYS 24 Cb -0.27 -1.46 -0.01 0.00 -1.68 0.00 0.00 37.83 34.41 2e9h s LYS 24 CO 0.31 0.31 -0.12 0.00 -0.76 0.00 0.00 175.35 175.09 2e9h s MET 25 N -2.53 0.90 -0.29 1.68 0.23 -0.99 -4.89 119.30 113.42 2e9h s MET 25 Ca 0.14 -0.53 -0.29 0.00 -1.03 0.00 0.00 55.69 53.99 2e9h s MET 25 Cb -0.07 -0.87 -0.02 0.00 -1.53 0.00 0.00 34.83 32.34 2e9h s MET 25 CO 0.07 0.23 1.66 -1.25 -2.03 0.00 0.00 175.02 173.70 2e9h s PRO 26 N -0.60 3.58 -0.31 3.16 0.04 -1.26 -2.18 135.00 137.43 2e9h s PRO 26 Ca 0.03 1.47 -0.42 0.00 0.04 0.00 0.00 61.00 62.12 2e9h s PRO 26 Cb -0.06 -4.10 -0.19 0.00 0.04 0.00 0.00 34.50 30.19 2e9h s PRO 26 CO 0.00 -1.56 1.34 0.54 0.04 0.00 0.00 177.00 177.37 2e9h n ARG 27 N 8.03 0.00 -1.46 4.56 1.74 -1.26 -4.78 116.66 123.49 2e9h n ARG 27 Ca 0.20 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.95 2e9h n ARG 27 Cb 0.46 -1.42 0.09 0.00 -1.02 0.00 0.00 32.46 30.56 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 1.86 3.29 0.16 0.55 0.05 -1.26 -5.00 118.68 118.32 2e9h s LEU 28 Ca 0.95 2.21 0.11 0.00 0.05 0.00 0.00 54.13 57.45 2e9h s LEU 28 Cb -1.35 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 38.18 2e9h s LEU 28 CO 0.70 -2.13 -0.24 -0.63 -0.55 0.00 0.00 176.35 173.49 2e9h s ILE 29 N -2.19 2.22 -0.09 1.48 1.01 -1.26 -4.92 121.20 117.45 2e9h s ILE 29 Ca 0.71 -1.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 2e9h s ILE 29 Cb -0.25 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.23 2e9h s ILE 29 CO 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 174.94 175.31 2e9h s ALA 30 N -1.44 1.01 -0.11 9.38 0.00 -1.26 -3.55 121.76 125.79 2e9h s ALA 30 Ca 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 2e9h s ALA 30 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 2e9h s ALA 30 CO 0.08 -0.44 0.03 0.21 0.00 0.00 0.00 175.76 175.64 2e9h s LYS 31 N 1.84 3.22 -0.03 0.00 2.20 -0.78 -4.63 119.74 121.56 2e9h s LYS 31 Ca 0.05 -0.36 0.07 0.00 -0.36 0.00 0.00 55.97 55.37 2e9h s LYS 31 Cb -0.12 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2e9h s LYS 31 CO -0.07 0.63 -0.24 0.08 -0.36 0.00 0.00 175.35 175.40 2e9h s VAL 32 N -0.67 1.88 -0.02 4.02 1.01 -1.26 0.25 120.40 125.61 2e9h s VAL 32 Ca 0.11 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2e9h s VAL 32 Cb -0.12 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2e9h s VAL 32 CO 0.02 0.53 -0.05 -1.61 0.00 0.00 0.00 175.10 174.00 2e9h s GLU 33 N -0.46 0.56 0.00 2.72 0.41 -1.08 -5.03 118.70 115.82 2e9h s GLU 33 Ca 0.06 -0.14 0.00 0.00 -0.41 0.00 0.00 54.97 54.49 2e9h s GLU 33 Cb -0.10 -0.58 0.00 0.00 -1.78 0.00 0.00 34.13 31.67 2e9h s GLU 33 CO 0.00 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 2e9h n GLY 34 N 3.45 -1.36 0.88 -1.39 0.00 -1.26 -2.74 105.19 102.76 2e9h n GLY 34 Ca -0.19 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 2e9h n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2e9h n LYS 35 N -1.23 1.69 -0.00 1.61 4.81 -1.26 -4.60 118.16 119.17 2e9h n LYS 35 Ca 0.00 -0.90 0.16 0.00 -0.87 0.00 0.00 58.31 56.70 2e9h n LYS 35 Cb 0.00 0.24 0.25 0.00 0.02 0.00 0.00 35.03 35.54 2e9h n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2e9h n GLY 36 N 3.50 -0.62 1.40 3.14 0.00 -1.26 0.11 105.19 111.45 2e9h n GLY 36 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.84 4.76 0.00 1.61 4.13 -1.26 -4.23 115.26 117.43 2e9h n ASN 37 Ca 0.13 -2.30 0.00 0.00 1.68 0.00 0.00 54.58 54.10 2e9h n ASN 37 Cb 1.25 -0.98 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 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 1.29 1.74 3.68 7.41 0.00 0.35 -5.10 105.19 114.57 2e9h n GLY 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.89 0.02 -0.61 2.07 0.30 -4.69 121.20 120.18 2e9h s ILE 39 Ca 0.00 1.24 0.03 0.00 -1.41 0.00 0.00 60.65 60.51 2e9h s ILE 39 Cb 0.00 -3.79 -0.01 0.00 0.13 0.00 0.00 42.46 38.78 2e9h s ILE 39 CO 0.00 -0.02 -0.10 -1.59 -1.91 0.00 0.00 174.94 171.32 2e9h s LYS 40 N 2.56 0.73 0.17 3.50 -2.85 -1.11 -3.20 119.74 119.54 2e9h s LYS 40 Ca 0.61 -0.53 -0.02 0.00 -1.00 0.00 0.00 55.97 55.03 2e9h s LYS 40 Cb -0.29 -0.68 -0.05 0.00 -2.06 0.00 0.00 37.83 34.75 2e9h s LYS 40 CO 0.24 0.17 0.38 0.99 0.10 0.00 0.00 175.35 177.23 2e9h s THR 41 N -0.62 5.20 -0.21 3.79 2.01 -0.55 -2.63 115.64 122.62 2e9h s THR 41 Ca 0.00 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 2e9h s THR 41 Cb -0.06 -3.69 0.07 0.00 0.01 0.00 0.00 72.50 68.83 2e9h s THR 41 CO 0.00 -0.08 0.08 -0.69 -0.69 0.00 0.00 174.62 173.23 2e9h s VAL 42 N -1.78 0.26 -0.96 3.82 1.01 0.14 -0.90 120.40 121.98 2e9h s VAL 42 Ca 0.39 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 2e9h s VAL 42 Cb -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.33 2e9h s VAL 42 CO 0.28 -0.37 1.69 -0.63 0.00 0.00 0.00 175.10 176.07 2e9h s ILE 43 N 1.97 3.69 0.12 2.22 1.01 -1.05 -1.86 121.20 127.29 2e9h s ILE 43 Ca 0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 59.92 2e9h s ILE 43 Cb -0.17 -4.54 -0.07 0.00 0.01 0.00 0.00 42.46 37.70 2e9h s ILE 43 CO -0.15 -1.45 1.76 0.58 0.00 0.00 0.00 174.94 175.68 2e9h h VAL 44 N 7.02 1.07 -0.24 2.92 2.07 -1.86 -2.56 116.25 124.66 2e9h h VAL 44 Ca 0.14 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 2e9h h VAL 44 Cb 1.01 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2e9h h VAL 44 CO 1.32 0.07 0.18 -3.20 0.02 0.00 0.00 177.57 175.96 2e9h n ASN 45 N -4.93 5.87 -0.07 0.57 2.85 -1.26 -4.26 115.26 114.03 2e9h n ASN 45 Ca -0.03 -2.72 -0.11 0.00 -0.11 0.00 0.00 54.58 51.61 2e9h n ASN 45 Cb 0.04 -1.11 -0.07 0.00 1.24 0.00 0.00 39.78 39.88 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 2e9h h MET 46 N 1.35 0.00 -0.42 1.20 1.85 -1.76 -3.22 114.93 113.93 2e9h h MET 46 Ca 0.15 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.11 2e9h h MET 46 Cb 0.97 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.99 2e9h h MET 46 CO 0.37 0.52 -0.23 0.28 -0.40 0.00 0.00 176.91 177.45 2e9h h VAL 47 N -1.00 1.27 0.14 -5.77 2.07 -1.82 -2.74 116.25 108.40 2e9h h VAL 47 Ca -0.09 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 2e9h h VAL 47 Cb 0.73 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2e9h h VAL 47 CO -0.06 0.46 -0.08 0.44 0.02 0.00 0.00 177.57 178.35 2e9h h ASP 48 N 0.74 -0.21 -0.97 0.57 3.32 -1.82 -1.40 116.42 116.66 2e9h h ASP 48 Ca 0.10 0.01 0.27 0.00 0.02 0.00 0.00 57.03 57.43 2e9h h ASP 48 Cb 0.77 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.24 2e9h h ASP 48 CO 0.06 -0.13 0.50 -0.37 -1.72 0.00 0.00 179.24 177.58 2e9h h VAL 49 N -0.21 0.39 0.26 -1.35 -1.51 -1.65 -0.29 116.25 111.90 2e9h h VAL 49 Ca -0.02 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2e9h h VAL 49 Cb 0.16 -0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 29.28 2e9h h VAL 49 CO 0.02 0.07 -0.25 0.00 -1.23 0.00 0.00 177.57 176.18 2e9h h ALA 50 N 1.79 -0.53 -0.92 5.19 0.00 -1.30 -2.41 119.26 121.08 2e9h h ALA 50 Ca 0.66 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.75 2e9h h ALA 50 Cb 1.38 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 2e9h h ALA 50 CO -0.57 -0.83 0.35 0.87 0.00 0.00 0.00 179.25 179.08 2e9h h LYS 51 N -0.54 0.25 -0.79 0.00 1.57 0.10 0.67 116.57 117.84 2e9h h LYS 51 Ca -0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2e9h h LYS 51 Cb 0.50 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 2e9h h LYS 51 CO -0.05 0.17 0.52 0.00 -0.57 0.00 0.00 179.45 179.52 2e9h h ALA 52 N 1.80 1.60 -0.27 3.86 0.00 -1.23 0.59 119.26 125.60 2e9h h ALA 52 Ca 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2e9h h ALA 52 Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2e9h h ALA 52 CO -0.63 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.19 2e9h n LEU 53 N -4.47 2.70 -2.86 0.00 4.77 0.23 -4.87 117.00 112.50 2e9h n LEU 53 Ca 0.11 -1.37 -0.12 0.00 -0.03 0.00 0.00 56.01 54.60 2e9h n LEU 53 Cb 0.18 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2e9h n LEU 53 CO 0.34 0.42 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.55 2e9h n ASN 54 N 0.32 -2.43 -4.07 -1.43 5.15 0.20 -4.90 115.26 108.09 2e9h n ASN 54 Ca 0.12 0.06 -0.12 0.00 -0.60 0.00 0.00 54.58 54.04 2e9h n ASN 54 Cb 0.56 -2.12 -0.11 0.00 -0.53 0.00 0.00 39.78 37.58 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2e9h s ARG 55 N -5.43 0.54 0.42 1.20 0.52 -1.09 -5.02 118.95 110.08 2e9h s ARG 55 Ca 0.16 -0.81 -0.25 0.00 -0.52 0.00 0.00 55.73 54.32 2e9h s ARG 55 Cb -0.09 -0.25 -0.08 0.00 0.52 0.00 0.00 34.95 35.05 2e9h s ARG 55 CO 0.20 0.03 1.18 -1.25 0.02 0.00 0.00 175.30 175.49 2e9h s PRO 56 N -1.82 3.95 0.00 3.54 0.04 -1.26 -3.79 135.00 135.66 2e9h s PRO 56 Ca -0.08 1.85 0.15 0.00 0.04 0.00 0.00 61.00 62.96 2e9h s PRO 56 Cb -0.08 -2.60 0.77 0.00 0.04 0.00 0.00 34.50 32.63 2e9h s PRO 56 CO -0.00 -0.41 1.39 -0.35 0.04 0.00 0.00 177.00 177.67 2e9h n PRO 57 N -0.10 0.26 0.12 0.56 -0.04 -1.26 -2.67 135.00 131.86 2e9h n PRO 57 Ca 0.05 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2e9h n PRO 57 Cb 0.47 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.47 0.23 0.52 1.35 -1.95 -0.91 112.91 113.62 2e9h h THR 58 Ca 0.00 -2.30 -0.01 0.00 -0.55 0.00 0.00 66.41 63.55 2e9h h THR 58 Cb 0.12 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2e9h h THR 58 CO 0.00 0.66 -0.11 1.88 -0.25 0.00 0.00 175.52 177.70 2e9h h TYR 59 N 0.03 -0.28 0.03 4.73 0.05 -1.91 -2.88 116.97 116.74 2e9h h TYR 59 Ca -0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 1.21 0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.04 2e9h h TYR 59 CO 0.01 0.07 -0.02 -1.00 -1.05 0.00 0.00 178.16 176.16 2e9h h PRO 60 N -0.68 -0.04 -0.68 4.88 0.13 -1.73 -2.99 132.00 130.87 2e9h h PRO 60 Ca -0.03 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.24 2e9h h PRO 60 Cb 0.48 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.49 2e9h h PRO 60 CO 0.05 0.43 -0.18 1.15 -0.23 0.00 0.00 178.00 179.22 2e9h h THR 61 N -0.53 0.31 -0.83 1.56 2.02 -1.28 0.15 112.91 114.31 2e9h h THR 61 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2e9h h THR 61 Cb 0.49 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2e9h h THR 61 CO 0.01 0.00 0.55 0.50 0.37 0.00 0.00 175.52 176.95 2e9h h LYS 62 N -0.00 1.08 0.01 6.66 1.63 -1.56 -3.03 116.57 121.35 2e9h h LYS 62 Ca 0.33 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2e9h h LYS 62 Cb 0.50 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 2e9h h LYS 62 CO -0.70 0.71 -0.53 -0.92 -3.45 0.00 0.00 179.45 174.56 2e9h h TYR 63 N 1.11 -1.55 -0.93 1.91 3.20 -0.55 -1.74 116.97 118.41 2e9h h TYR 63 Ca 0.31 0.05 0.14 0.00 3.14 0.00 0.00 58.73 62.37 2e9h h TYR 63 Cb -0.11 0.68 -0.15 0.00 1.54 0.00 0.00 36.73 38.68 2e9h h TYR 63 CO -0.02 -0.57 -0.40 0.74 -1.64 0.00 0.00 178.16 176.28 2e9h h PHE 64 N -0.67 -1.13 -0.95 -3.82 0.04 -1.33 0.63 116.94 109.71 2e9h h PHE 64 Ca 0.01 0.10 0.10 0.00 2.80 0.00 0.00 57.97 60.99 2e9h h PHE 64 Cb 0.72 0.63 -0.07 0.00 2.20 0.00 0.00 35.95 39.42 2e9h h PHE 64 CO -0.51 -0.40 0.61 0.78 -0.60 0.00 0.00 178.31 178.19 2e9h h GLY 65 N -0.03 1.44 0.90 -1.45 0.00 -1.40 0.23 103.07 102.76 2e9h h GLY 65 Ca 0.32 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2e9h h GLY 65 CO -0.94 0.20 -0.40 0.00 0.00 0.00 0.00 176.54 175.40 2e9h h GLU 67 N -1.24 0.66 0.00 0.00 3.07 -0.99 -1.86 114.58 114.22 2e9h h GLU 67 Ca -0.11 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 2e9h h GLU 67 Cb 0.86 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 2e9h h GLU 67 CO 0.19 0.44 -0.34 -0.07 -1.40 0.00 0.00 179.01 177.82 2e9h h LEU 68 N 0.68 0.00 -0.86 1.33 3.38 -0.53 -3.47 115.31 115.83 2e9h h LEU 68 Ca 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.94 2e9h h LEU 68 Cb -0.03 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.81 2e9h h LEU 68 CO -0.07 0.34 -0.40 0.61 0.09 0.00 0.00 178.44 179.01 2e9h n GLY 69 N 0.12 0.06 2.20 0.83 0.00 0.39 -5.03 105.19 103.76 2e9h n GLY 69 Ca -0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.94 0.32 -1.95 4.61 0.00 -0.69 -5.03 120.51 113.82 2e9h n ALA 70 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 53.44 51.82 2e9h n ALA 70 Cb 0.54 0.83 0.08 0.00 0.00 0.00 0.00 19.45 20.91 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 -3.07 1.97 0.17 0.00 -0.21 -1.26 -4.72 119.66 112.53 2e9h s GLN 71 Ca 0.07 -0.58 -0.16 0.00 0.02 0.00 0.00 55.36 54.71 2e9h s GLN 71 Cb 0.00 -2.23 0.03 0.00 1.00 0.00 0.00 33.01 31.80 2e9h s GLN 71 CO 0.05 -1.32 0.46 0.95 -2.12 0.00 0.00 175.29 173.30 2e9h s THR 72 N -3.20 0.04 -0.01 -0.19 -4.23 -1.26 -0.11 115.64 106.69 2e9h s THR 72 Ca 0.63 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 2e9h s THR 72 Cb -0.09 -1.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.25 2e9h s THR 72 CO 0.44 -0.20 -0.08 -1.58 -0.54 0.00 0.00 174.62 172.67 2e9h s GLN 73 N -3.87 0.61 -0.10 3.99 0.74 0.60 -4.88 119.66 116.76 2e9h s GLN 73 Ca 0.08 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.23 2e9h s GLN 73 Cb 0.00 -0.59 0.02 0.00 1.10 0.00 0.00 33.01 33.54 2e9h s GLN 73 CO -0.05 0.16 -0.12 -0.06 -0.55 0.00 0.00 175.29 174.67 2e9h s PHE 74 N -0.18 1.67 -0.49 1.67 0.40 -1.26 -1.90 117.98 117.88 2e9h s PHE 74 Ca 0.03 -0.77 0.04 0.00 -0.60 0.00 0.00 56.93 55.63 2e9h s PHE 74 Cb -0.03 -1.26 0.16 0.00 0.51 0.00 0.00 43.02 42.40 2e9h s PHE 74 CO -0.00 -0.44 0.36 0.34 0.70 0.00 0.00 175.22 176.17 2e9h s ASP 75 N 1.15 2.82 0.43 1.36 -1.08 -0.92 -4.96 116.67 115.47 2e9h s ASP 75 Ca -0.05 -3.15 0.18 0.00 -0.52 0.00 0.00 52.55 49.01 2e9h s ASP 75 Cb -0.14 -0.86 1.11 0.00 -1.46 0.00 0.00 42.92 41.57 2e9h s ASP 75 CO -0.03 -0.17 1.89 0.58 0.52 0.00 0.00 175.17 177.96 2e9h h VAL 76 N 4.69 0.72 -0.41 1.11 2.07 -1.94 0.49 116.25 122.97 2e9h h VAL 76 Ca 0.18 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.65 2e9h h VAL 76 Cb 0.87 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.87 2e9h h VAL 76 CO 0.48 0.07 -0.22 0.50 0.02 0.00 0.00 177.57 178.41 2e9h h LYS 77 N 0.37 -0.14 -0.53 1.57 3.64 -1.96 -1.65 116.57 117.87 2e9h h LYS 77 Ca 0.42 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2e9h h LYS 77 Cb 1.08 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2e9h h LYS 77 CO -0.14 -0.09 0.00 0.09 -2.27 0.00 0.00 179.45 177.04 2e9h n ASN 78 N -5.39 3.66 -3.70 4.20 3.02 -0.65 -4.95 115.26 111.45 2e9h n ASN 78 Ca 0.02 -2.14 -0.28 0.00 -0.03 0.00 0.00 54.58 52.16 2e9h n ASN 78 Cb 0.30 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 2e9h n ASN 78 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2e9h n ASP 79 N 0.95 -3.16 -4.62 6.41 2.03 0.16 -4.92 116.55 113.40 2e9h n ASP 79 Ca 0.19 -0.61 -0.34 0.00 0.52 0.00 0.00 54.79 54.55 2e9h n ASP 79 Cb 0.60 -2.63 -0.10 0.00 -0.72 0.00 0.00 41.12 38.27 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 -6.36 3.95 -0.22 -0.67 1.70 -0.92 -4.88 118.95 111.55 2e9h s ARG 80 Ca 0.53 -0.36 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 2e9h s ARG 80 Cb -0.29 -3.20 0.03 0.00 -0.57 0.00 0.00 34.95 30.92 2e9h s ARG 80 CO 0.65 0.26 -0.14 0.71 -1.08 0.00 0.00 175.30 175.70 2e9h s TYR 81 N 0.41 2.96 -0.03 5.89 1.51 -1.26 -2.15 117.35 124.67 2e9h s TYR 81 Ca 0.03 -1.72 0.02 0.00 -1.01 0.00 0.00 57.07 54.38 2e9h s TYR 81 Cb -0.13 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2e9h s TYR 81 CO 0.00 -0.79 -0.05 0.42 -1.11 0.00 0.00 175.55 174.03 2e9h s ILE 82 N 1.27 3.84 -0.33 2.71 1.01 -0.80 -2.54 121.20 126.37 2e9h s ILE 82 Ca 0.01 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2e9h s ILE 82 Cb -0.15 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 39.77 2e9h s ILE 82 CO -0.09 0.48 0.02 -0.69 0.00 0.00 0.00 174.94 174.66 2e9h s VAL 83 N -0.94 2.27 0.08 2.92 1.01 -0.08 -0.29 120.40 125.37 2e9h s VAL 83 Ca 0.16 -2.22 -0.26 0.00 0.00 0.00 0.00 61.98 59.65 2e9h s VAL 83 Cb -0.11 -2.62 -0.14 0.00 0.00 0.00 0.00 36.38 33.50 2e9h s VAL 83 CO 0.06 -0.50 0.61 -3.20 0.00 0.00 0.00 175.10 172.07 2e9h n ASN 84 N 4.29 -0.51 0.00 3.32 2.85 0.85 -2.99 115.26 123.07 2e9h n ASN 84 Ca 0.01 0.89 0.00 0.00 -0.11 0.00 0.00 54.58 55.37 2e9h n ASN 84 Cb 0.42 -0.73 0.00 0.00 1.24 0.00 0.00 39.78 40.71 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2e9h n GLY 85 N 1.37 0.52 3.52 8.20 0.00 -1.20 -4.50 105.19 113.10 2e9h n GLY 85 Ca 0.15 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 2e9h n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 86 N -1.12 5.84 -0.01 1.61 0.15 -1.26 -1.48 113.70 117.43 2e9h s SER 86 Ca 0.00 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.37 2e9h s SER 86 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 2e9h s SER 86 CO 0.00 -0.15 -0.05 -1.00 1.20 0.00 0.00 173.24 173.24 2e9h s HIS 87 N 1.70 0.55 0.15 3.44 3.76 -1.26 -5.03 115.29 118.60 2e9h s HIS 87 Ca 0.06 -0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.79 2e9h s HIS 87 Cb -0.17 -0.41 -0.06 0.00 1.11 0.00 0.00 32.58 33.06 2e9h s HIS 87 CO 0.09 -0.06 0.42 -1.83 -0.85 0.00 0.00 174.74 172.52 2e9h s GLU 88 N 0.18 3.70 0.18 1.40 -1.05 -1.26 -4.79 118.70 117.06 2e9h s GLU 88 Ca -0.02 0.06 -0.15 0.00 -0.15 0.00 0.00 54.97 54.71 2e9h s GLU 88 Cb -0.06 -2.84 0.15 0.00 -0.44 0.00 0.00 34.13 30.94 2e9h s GLU 88 CO -0.00 0.45 1.67 0.00 0.95 0.00 0.00 175.26 178.33 2e9h h ALA 89 N 2.98 0.37 -1.21 -0.84 0.00 -1.90 0.24 119.26 118.89 2e9h h ALA 89 Ca -0.47 0.16 0.37 0.00 0.00 0.00 0.00 54.91 54.97 2e9h h ALA 89 Cb 1.17 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 2e9h h ALA 89 CO 0.70 -0.42 0.78 -0.91 0.00 0.00 0.00 179.25 179.40 2e9h h ASN 90 N 0.06 0.32 0.04 0.00 2.35 -1.94 0.11 115.58 116.51 2e9h h ASN 90 Ca 0.23 0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 56.03 2e9h h ASN 90 Cb 0.34 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2e9h h ASN 90 CO -0.43 -0.09 -0.32 0.50 -1.65 0.00 0.00 177.43 175.45 2e9h h LYS 91 N 0.20 0.07 -0.46 0.81 3.64 -1.40 -3.14 116.57 116.29 2e9h h LYS 91 Ca 0.73 -0.13 0.09 0.00 -1.27 0.00 0.00 60.65 60.08 2e9h h LYS 91 Cb 2.17 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.95 2e9h h LYS 91 CO -0.38 1.06 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.67 2e9h h LEU 92 N -0.84 -0.46 -0.85 5.20 3.38 0.23 -0.40 115.31 121.58 2e9h h LEU 92 Ca -0.07 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2e9h h LEU 92 Cb 1.19 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 42.19 2e9h h LEU 92 CO 0.02 -0.16 0.55 -0.61 0.09 0.00 0.00 178.44 178.33 2e9h h GLN 93 N -0.01 1.06 -0.58 1.13 5.75 -1.04 0.24 115.11 121.66 2e9h h GLN 93 Ca 0.22 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2e9h h GLN 93 Cb 0.35 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2e9h h GLN 93 CO -0.48 0.70 0.36 -0.44 -2.65 0.00 0.00 178.83 176.32 2e9h h ASP 94 N 1.09 0.59 0.22 -0.69 5.19 -1.08 -2.76 116.42 118.98 2e9h h ASP 94 Ca 0.33 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 2e9h h ASP 94 Cb -0.03 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.35 2e9h h ASP 94 CO -0.10 0.42 -0.11 0.24 -3.12 0.00 0.00 179.24 176.57 2e9h h MET 95 N 0.72 -0.29 -1.01 3.56 2.86 -0.67 -3.24 114.93 116.86 2e9h h MET 95 Ca 0.23 0.02 0.39 0.00 -2.06 0.00 0.00 59.70 58.27 2e9h h MET 95 Cb -0.00 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.58 2e9h h MET 95 CO -0.09 0.07 0.60 -0.11 1.06 0.00 0.00 176.91 178.44 2e9h n LEU 96 N -4.98 0.25 -0.33 1.22 7.94 0.81 0.09 117.00 122.01 2e9h n LEU 96 Ca -0.07 1.34 -0.02 0.00 -1.11 0.00 0.00 56.01 56.14 2e9h n LEU 96 Cb 0.25 -0.66 0.03 0.00 0.53 0.00 0.00 43.42 43.58 2e9h n LEU 96 CO 0.23 -1.48 0.60 -0.78 -1.11 0.00 0.00 177.39 174.85 2e9h h ASP 97 N 0.00 -1.32 -0.96 1.96 3.58 -1.51 0.45 116.42 118.62 2e9h h ASP 97 Ca 0.75 0.28 0.27 0.00 0.42 0.00 0.00 57.03 58.76 2e9h h ASP 97 Cb 2.17 0.69 -0.14 0.00 1.72 0.00 0.00 39.33 43.77 2e9h h ASP 97 CO -0.56 -0.29 0.46 1.23 -2.88 0.00 0.00 179.24 177.20 2e9h h GLY 98 N -0.05 1.79 0.61 -0.78 0.00 -0.55 0.82 103.07 104.91 2e9h h GLY 98 Ca 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2e9h h GLY 98 CO -0.89 -0.39 -0.29 -2.75 0.00 0.00 0.00 176.54 172.21 2e9h h PHE 99 N 0.35 -0.76 -0.00 5.60 3.57 -0.25 -3.08 116.94 122.36 2e9h h PHE 99 Ca 0.65 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.13 2e9h h PHE 99 Cb 1.37 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 2e9h h PHE 99 CO -0.09 -0.47 0.02 0.82 -2.23 0.00 0.00 178.31 176.35 2e9h h ILE 100 N -1.18 0.12 0.00 1.41 2.04 -0.71 1.04 117.51 120.23 2e9h h ILE 100 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2e9h h ILE 100 Cb 0.63 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2e9h h ILE 100 CO 0.14 0.00 -0.03 0.11 0.00 0.00 0.00 178.15 178.37 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 1.79 0.74 0.42 116.57 121.88 2e9h h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2e9h h LYS 101 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2e9h h LYS 101 CO -0.00 0.03 -0.20 0.36 -1.08 0.00 0.00 179.45 178.56 2e9h n LYS 102 N -4.10 0.00 0.21 3.15 2.85 -0.40 -4.16 118.16 115.72 2e9h n LYS 102 Ca -0.03 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.32 2e9h n LYS 102 Cb 0.11 -0.14 0.45 0.00 -0.65 0.00 0.00 35.03 34.81 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 0.87 -3.15 116.94 119.24 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 0.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.76 2e9h h PHE 103 CO 0.00 0.00 -0.52 0.28 -1.61 0.00 0.00 178.31 176.46 2e9h n VAL 104 N -2.27 0.08 -2.65 -0.55 0.31 -1.19 -4.86 118.33 107.20 2e9h n VAL 104 Ca -0.01 0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 63.98 2e9h n VAL 104 Cb 0.37 -1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 32.15 2e9h n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2e9h s LEU 105 N -5.75 4.17 -0.00 7.52 1.43 0.15 -3.92 118.68 122.28 2e9h s LEU 105 Ca 0.00 1.94 -0.22 0.00 -1.03 0.00 0.00 54.13 54.81 2e9h s LEU 105 Cb 0.00 -4.18 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 2e9h s LEU 105 CO 0.00 -0.35 0.66 0.00 0.23 0.00 0.00 176.35 176.89 2e9h n PRO 107 N 2.97 0.49 0.01 0.00 -0.04 -1.26 0.11 135.00 137.27 2e9h n PRO 107 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2e9h n PRO 107 Cb 0.51 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.76 0.00 -0.12 0.54 -0.58 -1.26 -4.85 120.64 113.61 2e9h n GLU 108 Ca 0.06 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.87 2e9h n GLU 108 Cb 0.03 -0.36 0.13 0.00 -0.57 0.00 0.00 31.44 30.67 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 -0.94 -0.88 -3.09 0.00 1.02 0.30 -4.72 120.64 112.33 2e9h n GLU 110 Ca 0.13 0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 2e9h n GLU 110 Cb 0.58 -2.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.40 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2e9h s ASN 111 N -2.92 6.46 0.00 1.62 3.04 -1.26 -4.25 114.94 117.63 2e9h s ASN 111 Ca 0.30 0.25 0.13 0.00 0.04 0.00 0.00 52.86 53.58 2e9h s ASN 111 Cb -0.18 -2.34 0.80 0.00 -1.54 0.00 0.00 41.25 38.00 2e9h s ASN 111 CO 0.60 -0.58 1.23 -0.81 -3.04 0.00 0.00 177.10 174.50 2e9h n PRO 112 N 6.06 0.49 -1.31 0.43 -0.04 -1.25 -3.28 135.00 136.09 2e9h n PRO 112 Ca -0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 2e9h n PRO 112 Cb 0.49 -1.43 0.07 0.00 -0.04 0.00 0.00 33.50 32.59 2e9h n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 113 N -0.93 2.59 -3.46 0.54 -0.58 -1.26 -4.87 120.64 112.66 2e9h n GLU 113 Ca 0.10 -3.10 -0.23 0.00 -0.42 0.00 0.00 57.16 53.52 2e9h n GLU 113 Cb 0.05 -2.21 0.02 0.00 -0.57 0.00 0.00 31.44 28.73 2e9h n GLU 113 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2e9h s THR 114 N -4.53 2.00 0.03 2.62 -4.23 -1.21 -4.69 115.64 105.64 2e9h s THR 114 Ca 0.60 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2e9h s THR 114 Cb 0.48 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 2e9h s THR 114 CO -0.03 0.00 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.23 2e9h s ASP 115 N -4.43 0.29 0.03 3.99 1.11 -1.21 -5.03 116.67 111.42 2e9h s ASP 115 Ca 0.48 -0.62 0.01 0.00 0.18 0.00 0.00 52.55 52.60 2e9h s ASP 115 Cb -0.04 0.14 -0.04 0.00 1.07 0.00 0.00 42.92 44.05 2e9h s ASP 115 CO 0.30 -0.40 0.08 -0.76 1.18 0.00 0.00 175.17 175.57 2e9h s LEU 116 N -1.89 3.86 -0.08 1.23 1.43 -1.26 -1.64 118.68 120.33 2e9h s LEU 116 Ca -0.09 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2e9h s LEU 116 Cb -0.04 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2e9h s LEU 116 CO -0.04 0.23 -0.21 -1.00 0.23 0.00 0.00 176.35 175.57 2e9h s HIS 117 N -1.27 2.21 -0.10 0.29 3.76 0.24 -4.94 115.29 115.48 2e9h s HIS 117 Ca 0.25 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.35 2e9h s HIS 117 Cb -0.12 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 2e9h s HIS 117 CO 0.17 -0.33 -0.15 0.54 -0.85 0.00 0.00 174.74 174.12 2e9h s VAL 118 N 0.30 2.96 -0.30 -0.90 0.11 -1.26 -1.21 120.40 120.11 2e9h s VAL 118 Ca -0.14 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 2e9h s VAL 118 Cb -0.16 -2.20 0.07 0.00 -1.53 0.00 0.00 36.38 32.56 2e9h s VAL 118 CO 0.06 0.55 -0.03 0.20 -3.33 0.00 0.00 175.10 172.56 2e9h s ASN 119 N -0.06 4.69 0.00 3.54 0.01 -1.18 -4.96 114.94 116.97 2e9h s ASN 119 Ca -0.03 -1.58 0.15 0.00 -0.71 0.00 0.00 52.86 50.69 2e9h s ASN 119 Cb -0.14 -1.63 0.79 0.00 0.41 0.00 0.00 41.25 40.68 2e9h s ASN 119 CO 0.04 -0.27 1.40 -0.81 -1.51 0.00 0.00 177.10 175.94 2e9h n PRO 120 N 4.45 0.27 -0.12 -0.60 -0.04 -1.26 0.14 135.00 137.84 2e9h n PRO 120 Ca -0.09 0.11 -0.26 0.00 -0.04 0.00 0.00 63.50 63.23 2e9h n PRO 120 Cb 0.42 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 2e9h n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2e9h n LYS 121 N -1.22 0.52 0.03 0.54 4.76 -1.26 -4.52 118.16 117.01 2e9h n LYS 121 Ca 0.08 0.22 0.13 0.00 -2.87 0.00 0.00 58.31 55.87 2e9h n LYS 121 Cb 0.10 -1.38 0.34 0.00 -1.84 0.00 0.00 35.03 32.26 2e9h n LYS 121 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2e9h n LYS 122 N -4.02 0.12 -3.75 1.97 4.76 -1.19 -4.96 118.16 111.09 2e9h n LYS 122 Ca -0.48 0.06 -0.25 0.00 -2.87 0.00 0.00 58.31 54.77 2e9h n LYS 122 Cb 0.85 -1.60 0.02 0.00 -1.84 0.00 0.00 35.03 32.47 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e9h n GLN 123 N -1.78 -3.24 -3.84 1.97 3.00 0.12 -4.99 117.38 108.63 2e9h n GLN 123 Ca 0.05 0.52 -0.12 0.00 -0.01 0.00 0.00 57.00 57.44 2e9h n GLN 123 Cb 0.38 -4.72 -0.12 0.00 0.00 0.00 0.00 30.24 25.78 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 -3.68 0.02 -0.35 5.09 -4.23 -1.23 -5.01 115.64 106.24 2e9h s THR 124 Ca 0.16 -0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.38 2e9h s THR 124 Cb -0.05 -0.24 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 2e9h s THR 124 CO 0.84 -0.08 0.32 -0.63 -0.54 0.00 0.00 174.62 174.53 2e9h s ILE 125 N -0.23 5.21 -0.05 2.99 1.01 -1.26 -3.12 121.20 125.75 2e9h s ILE 125 Ca -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.54 2e9h s ILE 125 Cb -0.02 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2e9h s ILE 125 CO 0.00 -0.11 -0.25 -0.83 0.00 0.00 0.00 174.94 173.75 2e9h s GLY 126 N 1.73 1.27 -0.08 6.18 0.00 -0.35 -0.34 107.32 115.74 2e9h s GLY 126 Ca 0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 2e9h s GLY 126 CO 0.11 -0.71 0.11 0.54 0.00 0.00 0.00 173.10 173.16 2e9h s ASN 127 N -0.27 6.08 -0.22 1.64 2.20 -1.16 0.80 114.94 124.01 2e9h s ASN 127 Ca -0.00 0.35 0.01 0.00 -0.94 0.00 0.00 52.86 52.27 2e9h s ASN 127 Cb -0.13 -1.89 0.05 0.00 -2.00 0.00 0.00 41.25 37.29 2e9h s ASN 127 CO 0.02 0.36 -0.06 -0.94 -2.94 0.00 0.00 177.10 173.54 2e9h s SER 128 N -1.25 3.62 0.25 3.54 1.04 -0.65 -3.15 113.70 117.10 2e9h s SER 128 Ca 0.18 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2e9h s SER 128 Cb -0.12 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 2e9h s SER 128 CO 0.07 -0.21 0.44 0.00 0.98 0.00 0.00 173.24 174.52 2e9h n LYS 130 N -1.10 2.14 -0.02 0.00 5.02 -1.26 -3.61 118.16 119.32 2e9h n LYS 130 Ca -0.05 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.15 2e9h n LYS 130 Cb 0.55 -1.10 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e9h h ALA 131 N 0.13 -0.27 0.00 7.82 0.00 -1.96 -3.24 119.26 121.74 2e9h h ALA 131 Ca -0.11 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2e9h h ALA 131 Cb 1.22 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2e9h h ALA 131 CO -0.00 -0.74 -1.84 0.00 0.00 0.00 0.00 179.25 176.66 2e9h n GLY 133 N 1.83 0.81 3.66 0.00 0.00 -1.22 -5.06 105.19 105.20 2e9h n GLY 133 Ca -0.12 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.45 3.35 -0.17 1.61 6.14 -1.24 -4.90 117.35 119.68 2e9h s TYR 134 Ca 0.00 0.58 -0.02 0.00 0.64 0.00 0.00 57.07 58.27 2e9h s TYR 134 Cb 0.00 -2.53 0.05 0.00 0.42 0.00 0.00 41.96 39.91 2e9h s TYR 134 CO 0.00 -0.04 0.01 1.03 0.64 0.00 0.00 175.55 177.19 2e9h s ARG 135 N 1.42 0.86 0.00 4.97 3.00 -1.26 -1.04 118.95 126.90 2e9h s ARG 135 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 55.73 55.50 2e9h s ARG 135 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 34.95 32.83 2e9h s ARG 135 CO 0.08 -0.55 0.00 0.41 0.00 0.00 0.00 175.30 175.24 2e9h n GLY 136 N 5.00 3.38 3.34 -3.53 0.00 -1.19 -5.05 105.19 107.14 2e9h n GLY 136 Ca -0.09 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.31 3.42 0.39 1.61 0.23 -1.26 -2.99 119.30 120.39 2e9h s MET 137 Ca 0.00 -0.61 -0.26 0.00 -1.03 0.00 0.00 55.69 53.78 2e9h s MET 137 Cb 0.00 -2.99 -0.09 0.00 -1.53 0.00 0.00 34.83 30.22 2e9h s MET 137 CO 0.00 -0.12 1.31 -0.51 -2.03 0.00 0.00 175.02 173.66 2e9h s LEU 138 N 1.30 4.24 -0.31 0.18 1.43 0.54 -4.91 118.68 121.15 2e9h s LEU 138 Ca 0.04 2.66 -0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2e9h s LEU 138 Cb -0.14 -3.87 0.24 0.00 0.03 0.00 0.00 46.19 42.45 2e9h s LEU 138 CO -0.02 -0.81 1.90 0.47 0.23 0.00 0.00 176.35 178.13 2e9h n ASP 139 N 0.22 5.88 -4.71 2.29 8.00 -1.26 -4.70 116.55 122.27 2e9h n ASP 139 Ca 0.03 -3.03 -0.42 0.00 0.71 0.00 0.00 54.79 52.08 2e9h n ASP 139 Cb 0.43 -0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2e9h n ASP 139 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2e9h s THR 140 N -2.23 2.49 0.95 -3.53 2.01 -1.26 -4.96 115.64 109.11 2e9h s THR 140 Ca 0.31 0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.43 2e9h s THR 140 Cb 0.25 -3.17 0.11 0.00 0.01 0.00 0.00 72.50 69.70 2e9h s THR 140 CO 0.01 0.01 0.07 0.00 -0.69 0.00 0.00 174.62 174.02 2e9h n HIS 141 N 4.49 -2.00 -0.67 4.92 1.44 -1.26 -4.85 115.22 117.30 2e9h n HIS 141 Ca 0.15 0.16 0.08 0.00 -2.01 0.00 0.00 57.72 56.10 2e9h n HIS 141 Cb 0.38 -1.41 0.37 0.00 0.12 0.00 0.00 29.99 29.45 2e9h n HIS 141 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2e9h n HIS 142 N -4.14 1.70 -0.06 -1.40 8.25 -1.26 -3.81 115.22 114.50 2e9h n HIS 142 Ca 0.04 -0.63 -0.22 0.00 -0.26 0.00 0.00 57.72 56.65 2e9h n HIS 142 Cb 0.38 -0.35 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 2e9h n HIS 142 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2e9h n LYS 143 N 0.92 0.68 -0.08 -0.41 4.76 -1.26 -4.39 118.16 118.38 2e9h n LYS 143 Ca 0.26 0.30 -0.22 0.00 -2.87 0.00 0.00 58.31 55.78 2e9h n LYS 143 Cb 1.00 -1.65 -0.12 0.00 -1.84 0.00 0.00 35.03 32.41 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2e9h n LEU 144 N -3.70 2.07 -0.30 -0.35 7.94 -1.26 -4.20 117.00 117.20 2e9h n LEU 144 Ca -0.38 0.36 0.29 0.00 -1.11 0.00 0.00 56.01 55.18 2e9h n LEU 144 Cb 0.95 -1.00 0.53 0.00 0.53 0.00 0.00 43.42 44.42 2e9h n LEU 144 CO 0.30 0.44 0.94 0.00 -1.11 0.00 0.00 177.39 177.97 2e9h h THR 146 N 0.00 0.37 -0.34 0.00 2.02 -1.77 0.18 112.91 113.38 2e9h h THR 146 Ca 0.74 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.91 2e9h h THR 146 Cb 2.04 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2e9h h THR 146 CO -0.63 0.00 0.15 0.15 0.37 0.00 0.00 175.52 175.57 2e9h h PHE 147 N -0.40 0.49 -0.05 3.16 3.04 -0.08 -1.94 116.94 121.17 2e9h h PHE 147 Ca 0.07 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.03 2e9h h PHE 147 Cb 0.50 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.82 2e9h h PHE 147 CO -0.33 0.44 -0.18 0.82 -2.02 0.00 0.00 178.31 177.04 2e9h h ILE 148 N 0.40 0.55 0.10 1.41 2.04 -0.97 -2.58 117.51 118.46 2e9h h ILE 148 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2e9h h ILE 148 Cb 0.14 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2e9h h ILE 148 CO -0.01 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.86 2e9h h LEU 149 N -0.27 -0.59 -0.90 1.44 3.38 -0.57 -2.79 115.31 115.01 2e9h h LEU 149 Ca 0.07 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2e9h h LEU 149 Cb 0.37 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 2e9h h LEU 149 CO -0.21 -0.29 -0.42 0.11 0.09 0.00 0.00 178.44 177.72 2e9h h LYS 150 N -0.39 -0.04 -4.09 1.13 1.79 -1.09 -3.34 116.57 110.53 2e9h h LYS 150 Ca 0.03 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.92 2e9h h LYS 150 Cb 0.42 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 30.69 2e9h h LYS 150 CO -0.12 -0.03 -0.77 0.54 -1.08 0.00 0.00 179.45 177.98 2e9h s ASN 151 N -5.33 3.67 1.00 0.86 2.20 -1.00 -5.12 114.94 111.22 2e9h s ASN 151 Ca -0.14 -1.17 -0.12 0.00 -0.94 0.00 0.00 52.86 50.49 2e9h s ASN 151 Cb 0.18 -1.02 0.19 0.00 -2.00 0.00 0.00 41.25 38.60 2e9h s ASN 151 CO 0.69 -0.28 1.09 -2.16 -2.94 0.00 0.00 177.10 173.51 2e9h s PRO 152 N 1.51 0.41 1.06 3.55 0.04 -1.18 -4.63 135.00 135.76 2e9h s PRO 152 Ca -0.03 0.51 -0.14 0.00 0.04 0.00 0.00 61.00 61.39 2e9h s PRO 152 Cb -0.18 -1.73 0.22 0.00 0.04 0.00 0.00 34.50 32.84 2e9h s PRO 152 CO -0.08 -2.75 1.10 -1.25 0.04 0.00 0.00 177.00 174.06 2e9h s PRO 153 N -4.97 -0.08 -0.06 0.56 0.04 -1.26 -5.07 135.00 124.16 2e9h s PRO 153 Ca 0.65 0.35 0.01 0.00 0.04 0.00 0.00 61.00 62.06 2e9h s PRO 153 Cb -0.19 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2e9h s PRO 153 CO 0.58 -3.03 -0.07 -2.00 0.04 0.00 0.00 177.00 172.51 2e9h s GLU 154 N -5.07 1.19 -0.91 4.56 2.12 -1.26 -5.08 118.70 114.25 2e9h s GLU 154 Ca 0.67 -0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.75 2e9h s GLU 154 Cb -0.17 -1.12 0.23 0.00 0.26 0.00 0.00 34.13 33.33 2e9h s GLU 154 CO 0.57 -0.08 0.81 0.54 -0.54 0.00 0.00 175.26 176.57 2e9h s ASN 155 N 0.98 6.20 0.25 -1.70 2.20 -1.26 -4.91 114.94 116.71 2e9h s ASN 155 Ca -0.10 -3.60 -0.03 0.00 -0.94 0.00 0.00 52.86 48.19 2e9h s ASN 155 Cb -0.15 -1.97 0.51 0.00 -2.00 0.00 0.00 41.25 37.65 2e9h s ASN 155 CO 0.00 -0.23 1.70 -1.28 -2.94 0.00 0.00 177.10 174.35 2e9h h SER 156 N 6.26 0.14 0.00 3.54 0.87 -2.04 -3.57 113.55 118.75 2e9h h SER 156 Ca 0.15 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2e9h h SER 156 Cb 0.84 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2e9h h SER 156 CO 0.87 0.01 0.00 -0.90 -0.53 0.00 0.00 176.83 176.27