#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 0.01 -0.29 1.61 1.04 -1.26 -5.14 113.70 109.67 2e9h s SER 2 Ca 0.00 0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 2e9h s SER 2 Cb 0.00 0.01 0.13 0.00 0.10 0.00 0.00 66.02 66.26 2e9h s SER 2 CO 0.00 -0.11 0.84 -0.55 0.98 0.00 0.00 173.24 174.40 2e9h s SER 3 N 0.89 -0.77 0.00 7.02 0.15 -1.26 -5.15 113.70 114.58 2e9h s SER 3 Ca -0.07 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2e9h s SER 3 Cb -0.10 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 2e9h s SER 3 CO -0.03 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2e9h n GLY 4 N 4.57 3.35 3.38 9.45 0.00 -1.26 -5.17 105.19 119.51 2e9h n GLY 4 Ca -0.15 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 1.79 3.21 -0.28 1.61 1.04 -1.26 -5.14 113.70 114.67 2e9h s SER 5 Ca 0.00 -0.78 -0.22 0.00 0.48 0.00 0.00 55.95 55.43 2e9h s SER 5 Cb 0.00 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 65.99 2e9h s SER 5 CO 0.00 0.14 0.77 -0.55 0.98 0.00 0.00 173.24 174.58 2e9h s SER 6 N -2.23 -0.74 0.00 7.02 0.15 -1.26 -5.17 113.70 111.46 2e9h s SER 6 Ca 0.15 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2e9h s SER 6 Cb -0.09 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2e9h s SER 6 CO 0.07 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2e9h n GLY 7 N 3.06 1.26 3.12 9.45 0.00 -1.26 -5.15 105.19 115.68 2e9h n GLY 7 Ca -0.15 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2e9h n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2e9h s MET 8 N -1.53 2.89 0.28 1.61 -2.45 -1.26 -5.11 119.30 113.73 2e9h s MET 8 Ca 0.00 -0.90 0.03 0.00 -1.25 0.00 0.00 55.69 53.57 2e9h s MET 8 Cb 0.00 -2.64 -0.06 0.00 1.25 0.00 0.00 34.83 33.39 2e9h s MET 8 CO 0.00 -0.26 0.05 -1.12 1.05 0.00 0.00 175.02 174.74 2e9h s SER 9 N 1.27 1.93 0.40 1.11 0.01 -1.26 -4.74 113.70 112.41 2e9h s SER 9 Ca 0.03 -1.33 0.08 0.00 1.31 0.00 0.00 55.95 56.03 2e9h s SER 9 Cb -0.14 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 2e9h s SER 9 CO -0.11 -0.61 0.27 0.68 0.41 0.00 0.00 173.24 173.88 2e9h s VAL 10 N -3.44 2.69 0.37 3.43 -7.23 -1.10 -4.92 120.40 110.19 2e9h s VAL 10 Ca 0.35 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.73 2e9h s VAL 10 Cb 0.08 -3.01 -0.11 0.00 0.56 0.00 0.00 36.38 33.89 2e9h s VAL 10 CO 0.13 -0.05 1.42 0.59 -0.31 0.00 0.00 175.10 176.89 2e9h n ASN 11 N -1.37 3.45 -0.37 4.85 4.13 -1.26 -2.48 115.26 122.20 2e9h n ASN 11 Ca 0.01 1.22 0.34 0.00 1.68 0.00 0.00 54.58 57.83 2e9h n ASN 11 Cb 0.62 -1.58 0.60 0.00 -1.54 0.00 0.00 39.78 37.89 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 0.38 -0.34 -4.49 2.41 0.31 -1.24 -4.40 118.33 110.96 2e9h n VAL 12 Ca 0.02 1.88 -0.25 0.00 -0.01 0.00 0.00 64.34 65.98 2e9h n VAL 12 Cb 0.38 -3.06 -0.10 0.00 -0.91 0.00 0.00 33.84 30.15 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 -4.43 3.61 -0.14 4.52 0.01 -1.26 -4.93 114.94 112.31 2e9h s ASN 13 Ca -0.08 -1.09 -0.11 0.00 -0.71 0.00 0.00 52.86 50.88 2e9h s ASN 13 Cb 0.32 -0.31 -0.24 0.00 0.41 0.00 0.00 41.25 41.42 2e9h s ASN 13 CO 0.77 -0.05 0.33 0.54 -1.51 0.00 0.00 177.10 177.19 2e9h n ARG 14 N -0.67 0.71 -1.47 -0.60 5.12 -1.26 -4.26 116.66 114.23 2e9h n ARG 14 Ca -0.05 0.35 -0.30 0.00 -1.93 0.00 0.00 57.85 55.92 2e9h n ARG 14 Cb 0.61 -1.72 0.01 0.00 -1.16 0.00 0.00 32.46 30.20 2e9h n ARG 14 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2e9h n SER 15 N -3.74 6.97 -4.76 0.55 7.64 -1.26 -4.94 113.62 114.07 2e9h n SER 15 Ca -0.32 -3.45 -0.36 0.00 1.01 0.00 0.00 58.87 55.75 2e9h n SER 15 Cb 0.95 -1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 62.96 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e9h s VAL 16 N -3.45 5.37 0.13 0.44 0.11 -1.26 -4.99 120.40 116.75 2e9h s VAL 16 Ca 0.53 0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 59.81 2e9h s VAL 16 Cb 0.39 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.67 2e9h s VAL 16 CO -0.20 0.46 1.47 -1.28 -3.33 0.00 0.00 175.10 172.23 2e9h h SER 17 N 6.28 0.91 -2.45 3.54 0.87 -1.96 -3.43 113.55 117.31 2e9h h SER 17 Ca -0.44 -0.45 -0.54 0.00 -1.23 0.00 0.00 61.79 59.14 2e9h h SER 17 Cb 1.17 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.89 2e9h h SER 17 CO 0.72 1.16 1.19 -0.62 -0.53 0.00 0.00 176.83 178.75 2e9h s ASP 18 N -6.69 6.50 0.03 6.23 -1.08 -1.26 -4.89 116.67 115.52 2e9h s ASP 18 Ca -0.12 2.50 -0.17 0.00 -0.52 0.00 0.00 52.55 54.25 2e9h s ASP 18 Cb 0.10 -2.53 -0.28 0.00 -1.46 0.00 0.00 42.92 38.75 2e9h s ASP 18 CO 0.86 -1.03 1.07 -0.61 0.52 0.00 0.00 175.17 175.98 2e9h h GLN 19 N 10.32 0.54 -1.34 4.34 5.75 -2.04 -3.28 115.11 129.41 2e9h h GLN 19 Ca -0.46 -0.72 -0.44 0.00 -0.15 0.00 0.00 58.65 56.89 2e9h h GLN 19 Cb 1.22 0.23 -0.19 0.00 1.07 0.00 0.00 27.48 29.81 2e9h h GLN 19 CO 0.95 1.31 0.57 1.19 -2.65 0.00 0.00 178.83 180.19 2e9h n PHE 20 N -3.92 2.10 -1.35 3.99 3.01 -1.26 -4.97 117.46 115.05 2e9h n PHE 20 Ca -0.13 -2.30 -0.52 0.00 1.01 0.00 0.00 57.45 55.51 2e9h n PHE 20 Cb 0.90 -1.11 -0.08 0.00 -0.01 0.00 0.00 39.48 39.18 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 -0.08 1.36 0.02 1.38 4.19 -1.24 -4.83 117.16 117.94 2e9h n TYR 21 Ca 0.41 0.89 -0.03 0.00 3.31 0.00 0.00 57.90 62.47 2e9h n TYR 21 Cb 0.62 -1.72 -0.02 0.00 0.49 0.00 0.00 39.34 38.71 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 3.87 -0.14 -7.19 2.98 2.43 -1.94 -3.42 114.38 110.97 2e9h h ARG 22 Ca -0.34 0.01 -0.50 0.00 -0.81 0.00 0.00 59.98 58.34 2e9h h ARG 22 Cb 1.06 0.03 0.08 0.00 -0.42 0.00 0.00 29.97 30.72 2e9h h ARG 22 CO 0.76 -0.09 0.38 0.71 -1.51 0.00 0.00 179.97 180.21 2e9h s TYR 23 N -3.53 2.79 0.07 2.20 2.02 -1.26 -5.07 117.35 114.57 2e9h s TYR 23 Ca -0.03 1.53 -0.06 0.00 -0.37 0.00 0.00 57.07 58.14 2e9h s TYR 23 Cb 0.01 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.46 2e9h s TYR 23 CO 0.12 -1.42 0.11 0.15 -1.57 0.00 0.00 175.55 172.94 2e9h s LYS 24 N -4.04 0.75 -0.03 -0.62 -0.14 -1.26 -3.73 119.74 110.67 2e9h s LYS 24 Ca 0.66 -1.02 -0.06 0.00 -1.36 0.00 0.00 55.97 54.19 2e9h s LYS 24 Cb -0.19 0.29 0.01 0.00 -1.68 0.00 0.00 37.83 36.26 2e9h s LYS 24 CO 0.39 -0.21 0.13 0.00 -0.76 0.00 0.00 175.35 174.90 2e9h s MET 25 N -3.75 0.31 0.32 1.68 0.23 -1.04 -4.85 119.30 112.19 2e9h s MET 25 Ca 0.05 -0.09 -0.29 0.00 -1.03 0.00 0.00 55.69 54.33 2e9h s MET 25 Cb 0.05 0.13 -0.10 0.00 -1.53 0.00 0.00 34.83 33.39 2e9h s MET 25 CO -0.10 -0.06 1.23 -1.25 -2.03 0.00 0.00 175.02 172.80 2e9h s PRO 26 N -0.60 4.45 -0.07 3.16 0.04 -1.26 -2.72 135.00 138.00 2e9h s PRO 26 Ca -0.07 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 2e9h s PRO 26 Cb -0.04 -3.10 -0.06 0.00 0.04 0.00 0.00 34.50 31.34 2e9h s PRO 26 CO 0.01 -0.05 1.84 1.03 0.04 0.00 0.00 177.00 179.87 2e9h s ARG 27 N -1.69 3.96 0.56 4.56 3.00 -1.26 -4.86 118.95 123.22 2e9h s ARG 27 Ca 0.48 2.23 -0.21 0.00 0.00 0.00 0.00 55.73 58.23 2e9h s ARG 27 Cb -0.37 -4.11 -0.05 0.00 0.00 0.00 0.00 34.95 30.43 2e9h s ARG 27 CO 0.48 -1.13 1.23 1.47 0.00 0.00 0.00 175.30 177.35 2e9h n LEU 28 N 8.13 4.97 -4.46 2.53 -0.00 -1.26 -5.00 117.00 121.91 2e9h n LEU 28 Ca 0.20 0.92 -0.31 0.00 -0.00 0.00 0.00 56.01 56.83 2e9h n LEU 28 Cb 0.43 -1.51 -0.13 0.00 -0.00 0.00 0.00 43.42 42.21 2e9h n LEU 28 CO 0.65 -1.00 -0.49 -0.63 -0.00 0.00 0.00 177.39 175.93 2e9h s ILE 29 N -1.35 2.79 -0.06 1.47 1.01 -1.26 -4.91 121.20 118.89 2e9h s ILE 29 Ca 0.74 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 60.26 2e9h s ILE 29 Cb -0.42 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 39.88 2e9h s ILE 29 CO 0.48 0.35 -0.15 0.00 0.00 0.00 0.00 174.94 175.62 2e9h s ALA 30 N -0.91 1.44 -0.11 9.38 0.00 -1.26 -2.66 121.76 127.63 2e9h s ALA 30 Ca 0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 2e9h s ALA 30 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2e9h s ALA 30 CO 0.05 0.21 -0.07 0.21 0.00 0.00 0.00 175.76 176.16 2e9h s LYS 31 N 0.31 3.24 0.01 0.00 2.20 -0.58 -4.76 119.74 120.16 2e9h s LYS 31 Ca -0.09 -0.56 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2e9h s LYS 31 Cb -0.13 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2e9h s LYS 31 CO 0.03 0.41 -0.08 0.08 -0.36 0.00 0.00 175.35 175.43 2e9h s VAL 32 N -0.12 0.61 -0.04 4.02 1.01 -1.26 -0.44 120.40 124.18 2e9h s VAL 32 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2e9h s VAL 32 Cb -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2e9h s VAL 32 CO 0.03 0.06 0.09 -1.61 0.00 0.00 0.00 175.10 173.67 2e9h s GLU 33 N -0.48 0.09 0.00 2.72 2.02 -1.25 -5.01 118.70 116.78 2e9h s GLU 33 Ca 0.01 0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.16 2e9h s GLU 33 Cb -0.04 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.18 2e9h s GLU 33 CO -0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.64 2e9h n GLY 34 N 3.31 -2.54 2.72 -1.39 0.00 -1.26 -3.86 105.19 102.17 2e9h n GLY 34 Ca -0.16 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2e9h n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9h s LYS 35 N -2.90 0.82 0.00 1.61 -0.14 -1.26 -4.38 119.74 113.49 2e9h s LYS 35 Ca 0.00 -1.26 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 2e9h s LYS 35 Cb 0.00 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 2e9h s LYS 35 CO 0.00 -1.03 0.00 0.41 -0.76 0.00 0.00 175.35 173.97 2e9h n GLY 36 N 4.57 2.44 1.38 -3.33 0.00 -1.26 -4.77 105.19 104.23 2e9h n GLY 36 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2e9h n GLY 36 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2e9h n ASN 37 N 0.99 3.69 0.00 1.61 0.23 -1.26 -4.49 115.26 116.02 2e9h n ASN 37 Ca 0.00 -2.47 0.00 0.00 -0.53 0.00 0.00 54.58 51.58 2e9h n ASN 37 Cb 0.00 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.02 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2e9h n GLY 38 N 0.23 1.84 3.72 4.83 0.00 -1.26 -5.02 105.19 109.53 2e9h n GLY 38 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.76 0.10 -0.61 2.07 -1.25 -4.83 121.20 118.45 2e9h s ILE 39 Ca 0.00 1.32 -0.07 0.00 -1.41 0.00 0.00 60.65 60.48 2e9h s ILE 39 Cb 0.00 -3.84 -0.01 0.00 0.13 0.00 0.00 42.46 38.74 2e9h s ILE 39 CO 0.00 0.13 0.18 -1.59 -1.91 0.00 0.00 174.94 171.75 2e9h s LYS 40 N 0.74 0.90 -0.32 3.50 -2.85 -1.26 -3.83 119.74 116.62 2e9h s LYS 40 Ca 0.58 -1.07 -0.06 0.00 -1.00 0.00 0.00 55.97 54.42 2e9h s LYS 40 Cb -0.32 0.33 0.03 0.00 -2.06 0.00 0.00 37.83 35.81 2e9h s LYS 40 CO 0.31 -0.29 0.08 0.99 0.10 0.00 0.00 175.35 176.55 2e9h s THR 41 N -3.91 3.76 -0.42 3.79 2.01 -0.59 -3.91 115.64 116.37 2e9h s THR 41 Ca 0.09 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 2e9h s THR 41 Cb 0.05 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.56 2e9h s THR 41 CO -0.07 -0.06 0.31 -0.69 -0.69 0.00 0.00 174.62 173.41 2e9h s VAL 42 N 1.43 4.95 -0.76 3.82 1.01 0.41 -0.62 120.40 130.63 2e9h s VAL 42 Ca -0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 2e9h s VAL 42 Cb -0.18 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 2e9h s VAL 42 CO 0.02 -0.41 1.65 -0.63 0.00 0.00 0.00 175.10 175.73 2e9h s ILE 43 N 1.60 3.56 0.09 2.22 1.01 -1.14 -1.53 121.20 127.01 2e9h s ILE 43 Ca 0.04 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2e9h s ILE 43 Cb -0.21 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.78 2e9h s ILE 43 CO 0.07 -1.34 1.46 0.58 0.00 0.00 0.00 174.94 175.71 2e9h h VAL 44 N 6.70 1.29 -0.56 2.92 2.07 -1.80 -3.11 116.25 123.76 2e9h h VAL 44 Ca -0.13 -1.18 -0.33 0.00 0.82 0.00 0.00 66.70 65.88 2e9h h VAL 44 Cb 1.08 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 32.21 2e9h h VAL 44 CO 1.27 0.37 0.29 -3.20 0.02 0.00 0.00 177.57 176.32 2e9h n ASN 45 N -4.46 6.25 -0.07 0.57 2.85 -1.24 -4.39 115.26 114.77 2e9h n ASN 45 Ca -0.04 -2.99 -0.09 0.00 -0.11 0.00 0.00 54.58 51.36 2e9h n ASN 45 Cb 0.35 -1.15 -0.06 0.00 1.24 0.00 0.00 39.78 40.15 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 2.02 0.00 -0.30 1.20 4.05 -1.85 -3.19 114.93 116.85 2e9h h MET 46 Ca 0.28 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.57 2e9h h MET 46 Cb 0.92 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2e9h h MET 46 CO 0.67 0.47 -0.34 0.28 0.23 0.00 0.00 176.91 178.22 2e9h h VAL 47 N -1.00 1.29 0.09 -5.77 2.07 -1.85 -2.83 116.25 108.25 2e9h h VAL 47 Ca -0.06 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 2e9h h VAL 47 Cb 0.62 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2e9h h VAL 47 CO -0.04 0.48 -0.05 0.44 0.02 0.00 0.00 177.57 178.42 2e9h h ASP 48 N 0.55 -0.11 -0.91 0.57 5.19 -1.84 -1.89 116.42 117.98 2e9h h ASP 48 Ca 0.06 0.00 0.25 0.00 -0.62 0.00 0.00 57.03 56.73 2e9h h ASP 48 Cb 0.85 0.03 -0.14 0.00 0.18 0.00 0.00 39.33 40.25 2e9h h ASP 48 CO 0.07 -0.08 0.29 -0.37 -3.12 0.00 0.00 179.24 176.03 2e9h h VAL 49 N -0.13 0.30 -0.29 -1.35 -1.51 -1.65 0.14 116.25 111.75 2e9h h VAL 49 Ca -0.01 -0.07 0.05 0.00 -1.23 0.00 0.00 66.70 65.44 2e9h h VAL 49 Cb 0.10 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.27 2e9h h VAL 49 CO 0.02 0.04 -0.04 0.00 -1.23 0.00 0.00 177.57 176.36 2e9h h ALA 50 N 1.80 0.22 -0.97 5.19 0.00 -1.40 -1.60 119.26 122.50 2e9h h ALA 50 Ca 0.59 0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.87 2e9h h ALA 50 Cb 1.22 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 19.07 2e9h h ALA 50 CO -0.66 -0.45 0.50 -0.22 0.00 0.00 0.00 179.25 178.43 2e9h h LYS 51 N 0.03 0.39 -0.82 0.00 3.64 0.12 0.40 116.57 120.33 2e9h h LYS 51 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2e9h h LYS 51 Cb 0.20 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2e9h h LYS 51 CO -0.27 0.26 0.46 0.00 -2.27 0.00 0.00 179.45 177.63 2e9h h ALA 52 N 1.78 1.05 -0.12 5.00 0.00 -1.20 -1.26 119.26 124.51 2e9h h ALA 52 Ca 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2e9h h ALA 52 Cb 1.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2e9h h ALA 52 CO -0.56 0.56 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2e9h n LEU 53 N -4.40 1.38 -2.95 0.00 4.77 0.13 -4.85 117.00 111.08 2e9h n LEU 53 Ca 0.08 -0.69 -0.14 0.00 -0.03 0.00 0.00 56.01 55.23 2e9h n LEU 53 Cb 0.09 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2e9h n LEU 53 CO 0.38 0.26 -0.06 0.59 -1.33 0.00 0.00 177.39 177.23 2e9h n ASN 54 N 0.02 -2.35 -4.02 -1.43 3.02 -0.48 -4.90 115.26 105.13 2e9h n ASN 54 Ca 0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 2e9h n ASN 54 Cb 0.29 -2.05 -0.11 0.00 -0.61 0.00 0.00 39.78 37.30 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2e9h s ARG 55 N -5.53 0.41 0.55 3.52 0.52 -1.06 -5.03 118.95 112.34 2e9h s ARG 55 Ca 0.20 -0.71 -0.19 0.00 -0.52 0.00 0.00 55.73 54.51 2e9h s ARG 55 Cb -0.11 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 2e9h s ARG 55 CO 0.25 -0.02 1.13 -1.25 0.02 0.00 0.00 175.30 175.43 2e9h s PRO 56 N -1.68 3.31 0.00 3.54 0.04 -1.26 -3.96 135.00 135.00 2e9h s PRO 56 Ca -0.12 1.59 0.14 0.00 0.04 0.00 0.00 61.00 62.66 2e9h s PRO 56 Cb -0.09 -2.00 0.65 0.00 0.04 0.00 0.00 34.50 33.10 2e9h s PRO 56 CO -0.01 -0.88 1.44 -0.35 0.04 0.00 0.00 177.00 177.25 2e9h n PRO 57 N -1.39 0.05 0.17 0.56 -0.04 -1.26 -2.73 135.00 130.36 2e9h n PRO 57 Ca 0.12 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.82 2e9h n PRO 57 Cb 0.51 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.29 0.33 0.52 1.35 -1.95 0.16 112.91 114.61 2e9h h THR 58 Ca 0.00 -1.40 -0.02 0.00 -0.55 0.00 0.00 66.41 64.44 2e9h h THR 58 Cb 0.22 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2e9h h THR 58 CO 0.00 0.40 -0.16 1.88 -0.25 0.00 0.00 175.52 177.40 2e9h h TYR 59 N 0.03 -0.41 -0.00 4.73 0.05 -1.91 -2.95 116.97 116.51 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2e9h h TYR 59 Cb 0.73 0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.60 2e9h h TYR 59 CO 0.00 -0.06 -0.00 -1.00 -1.05 0.00 0.00 178.16 176.04 2e9h h PRO 60 N -0.90 0.01 -0.63 4.88 0.13 -1.73 -3.14 132.00 130.62 2e9h h PRO 60 Ca -0.04 -0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.21 2e9h h PRO 60 Cb 0.52 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.53 2e9h h PRO 60 CO 0.07 0.49 -0.19 1.15 -0.23 0.00 0.00 178.00 179.30 2e9h h THR 61 N -0.47 0.33 -0.68 1.56 2.02 -0.82 0.34 112.91 115.19 2e9h h THR 61 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2e9h h THR 61 Cb 0.49 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 2e9h h THR 61 CO 0.00 0.00 0.45 0.11 0.37 0.00 0.00 175.52 176.45 2e9h h LYS 62 N -0.03 0.64 0.72 6.66 1.79 -1.58 -2.82 116.57 121.96 2e9h h LYS 62 Ca 0.30 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 2e9h h LYS 62 Cb 0.49 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 2e9h h LYS 62 CO -0.66 0.43 -0.49 -0.92 -1.08 0.00 0.00 179.45 176.72 2e9h h TYR 63 N 0.66 -1.33 -1.00 -1.35 3.20 -0.27 -2.51 116.97 114.37 2e9h h TYR 63 Ca 0.30 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.33 2e9h h TYR 63 Cb 0.31 0.49 -0.17 0.00 1.54 0.00 0.00 36.73 38.90 2e9h h TYR 63 CO -0.00 -0.72 -0.33 0.74 -1.64 0.00 0.00 178.16 176.21 2e9h h PHE 64 N -1.16 -0.85 -0.93 -3.82 0.04 -1.21 0.71 116.94 109.73 2e9h h PHE 64 Ca -0.10 0.10 0.09 0.00 2.80 0.00 0.00 57.97 60.87 2e9h h PHE 64 Cb 0.94 0.52 -0.07 0.00 2.20 0.00 0.00 35.95 39.54 2e9h h PHE 64 CO -0.14 -0.42 0.57 0.78 -0.60 0.00 0.00 178.31 178.51 2e9h h GLY 65 N -0.00 1.47 0.74 -1.45 0.00 -1.49 0.12 103.07 102.46 2e9h h GLY 65 Ca 0.40 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2e9h h GLY 65 CO -1.01 0.20 -0.36 0.00 0.00 0.00 0.00 176.54 175.38 2e9h h GLU 67 N -1.00 0.28 0.00 0.00 5.08 -1.21 -0.67 114.58 117.06 2e9h h GLU 67 Ca -0.10 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2e9h h GLU 67 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2e9h h GLU 67 CO 0.17 0.19 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.02 2e9h h LEU 68 N 0.29 0.00 -0.72 1.33 3.38 -0.72 -3.47 115.31 115.40 2e9h h LEU 68 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 2e9h h LEU 68 Cb 0.24 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.05 2e9h h LEU 68 CO -0.24 0.27 -0.34 0.61 0.09 0.00 0.00 178.44 178.83 2e9h n GLY 69 N -0.30 0.16 1.94 0.83 0.00 0.38 -5.04 105.19 103.17 2e9h n GLY 69 Ca -0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.60 0.32 -2.64 4.61 0.00 -0.60 -5.03 120.51 113.57 2e9h n ALA 70 Ca -0.01 -1.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.01 2e9h n ALA 70 Cb 0.54 0.79 -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 -2.91 3.32 0.14 0.00 -0.21 -1.26 -4.67 119.66 114.08 2e9h s GLN 71 Ca 0.10 -0.60 0.01 0.00 0.02 0.00 0.00 55.36 54.90 2e9h s GLN 71 Cb 0.01 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 2e9h s GLN 71 CO 0.07 0.12 0.00 0.95 -2.12 0.00 0.00 175.29 174.32 2e9h s THR 72 N -2.25 0.53 -0.16 -0.19 -4.23 -1.26 -1.94 115.64 106.14 2e9h s THR 72 Ca 0.41 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2e9h s THR 72 Cb -0.09 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2e9h s THR 72 CO 0.34 -0.57 -0.12 -1.58 -0.54 0.00 0.00 174.62 172.14 2e9h s GLN 73 N -3.93 2.13 -0.38 3.99 0.74 -0.74 -5.00 119.66 116.47 2e9h s GLN 73 Ca 0.21 -0.62 -0.11 0.00 0.05 0.00 0.00 55.36 54.89 2e9h s GLN 73 Cb 0.06 -2.16 0.03 0.00 1.10 0.00 0.00 33.01 32.04 2e9h s GLN 73 CO 0.01 -0.30 0.21 -0.06 -0.55 0.00 0.00 175.29 174.60 2e9h s PHE 74 N 1.48 3.25 -0.56 1.67 0.40 -1.26 -2.82 117.98 120.14 2e9h s PHE 74 Ca 0.03 -0.98 0.04 0.00 -0.60 0.00 0.00 56.93 55.42 2e9h s PHE 74 Cb -0.14 -2.47 0.15 0.00 0.51 0.00 0.00 43.02 41.07 2e9h s PHE 74 CO -0.10 -0.66 0.35 -0.51 0.70 0.00 0.00 175.22 175.01 2e9h s ASP 75 N 1.58 4.13 0.39 1.36 1.01 -1.08 -4.94 116.67 119.12 2e9h s ASP 75 Ca 0.02 -3.26 0.08 0.00 0.71 0.00 0.00 52.55 50.10 2e9h s ASP 75 Cb -0.19 -1.41 0.80 0.00 1.01 0.00 0.00 42.92 43.12 2e9h s ASP 75 CO 0.07 -0.18 1.95 0.58 0.21 0.00 0.00 175.17 177.80 2e9h h VAL 76 N 4.95 1.15 -0.78 -1.27 2.07 -1.95 -0.98 116.25 119.46 2e9h h VAL 76 Ca 0.05 -0.60 0.16 0.00 0.82 0.00 0.00 66.70 67.13 2e9h h VAL 76 Cb 0.85 0.99 -0.14 0.00 -1.52 0.00 0.00 31.29 31.47 2e9h h VAL 76 CO 0.63 0.20 -0.14 0.50 0.02 0.00 0.00 177.57 178.79 2e9h h LYS 77 N 0.34 0.02 -0.24 1.57 1.63 -1.95 0.32 116.57 118.25 2e9h h LYS 77 Ca 0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2e9h h LYS 77 Cb 0.25 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2e9h h LYS 77 CO 0.01 0.01 0.00 0.09 -3.45 0.00 0.00 179.45 176.11 2e9h n ASN 78 N -5.47 3.77 -4.36 4.20 3.02 -1.11 -4.97 115.26 110.34 2e9h n ASN 78 Ca 0.12 -3.02 -0.34 0.00 -0.03 0.00 0.00 54.58 51.31 2e9h n ASN 78 Cb 0.43 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N -0.57 0.22 -4.27 6.41 8.00 0.10 -4.91 116.55 121.53 2e9h n ASP 79 Ca 0.21 -1.26 -0.32 0.00 0.71 0.00 0.00 54.79 54.12 2e9h n ASP 79 Cb 0.87 -1.64 -0.16 0.00 -0.02 0.00 0.00 41.12 40.17 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -7.33 3.10 -0.11 -1.24 1.70 -0.62 -4.91 118.95 109.53 2e9h s ARG 80 Ca 0.21 -0.83 0.03 0.00 -0.47 0.00 0.00 55.73 54.67 2e9h s ARG 80 Cb -0.12 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 31.89 2e9h s ARG 80 CO 1.00 0.21 -0.22 0.71 -1.08 0.00 0.00 175.30 175.92 2e9h s TYR 81 N 0.29 2.51 0.01 5.89 1.51 -1.26 -2.65 117.35 123.65 2e9h s TYR 81 Ca -0.16 -1.10 0.08 0.00 -1.01 0.00 0.00 57.07 54.88 2e9h s TYR 81 Cb -0.17 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2e9h s TYR 81 CO 0.08 -0.47 -0.23 0.42 -1.11 0.00 0.00 175.55 174.23 2e9h s ILE 82 N 0.52 1.85 -0.25 2.71 1.01 -1.13 -2.89 121.20 123.03 2e9h s ILE 82 Ca -0.15 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.39 2e9h s ILE 82 Cb -0.17 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.80 2e9h s ILE 82 CO 0.05 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.62 2e9h s VAL 83 N -0.66 1.89 0.22 2.92 1.01 0.21 -1.79 120.40 124.20 2e9h s VAL 83 Ca 0.09 -1.45 -0.31 0.00 0.00 0.00 0.00 61.98 60.31 2e9h s VAL 83 Cb -0.09 -2.07 -0.15 0.00 0.00 0.00 0.00 36.38 34.07 2e9h s VAL 83 CO 0.00 -0.06 1.15 0.59 0.00 0.00 0.00 175.10 176.79 2e9h n ASN 84 N 4.53 1.55 0.00 3.32 3.02 -0.82 -1.93 115.26 124.94 2e9h n ASN 84 Ca -0.13 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2e9h n ASN 84 Cb 0.43 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 85 N 1.78 2.48 3.64 7.41 0.00 -1.25 -4.74 105.19 114.52 2e9h n GLY 85 Ca 0.13 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 6.49 -0.04 1.61 0.15 -1.26 -1.54 113.70 119.11 2e9h s SER 86 Ca 0.00 0.59 -0.07 0.00 0.70 0.00 0.00 55.95 57.17 2e9h s SER 86 Cb 0.00 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2e9h s SER 86 CO 0.00 -0.21 0.17 -1.00 1.20 0.00 0.00 173.24 173.39 2e9h s HIS 87 N 1.89 -0.11 -0.07 3.44 3.76 -1.26 -5.00 115.29 117.94 2e9h s HIS 87 Ca 0.22 0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 55.26 2e9h s HIS 87 Cb -0.15 0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.51 2e9h s HIS 87 CO 0.09 -0.17 0.29 -1.83 -0.85 0.00 0.00 174.74 172.27 2e9h s GLU 88 N -0.48 3.81 0.29 1.40 -1.05 -1.26 -4.87 118.70 116.53 2e9h s GLU 88 Ca -0.06 0.16 -0.05 0.00 -0.15 0.00 0.00 54.97 54.87 2e9h s GLU 88 Cb -0.04 -3.25 0.55 0.00 -0.44 0.00 0.00 34.13 30.95 2e9h s GLU 88 CO 0.01 0.64 1.57 0.00 0.95 0.00 0.00 175.26 178.42 2e9h h ALA 89 N 5.16 0.82 -0.91 -0.84 0.00 -1.91 0.37 119.26 121.95 2e9h h ALA 89 Ca -0.51 0.37 0.21 0.00 0.00 0.00 0.00 54.91 54.98 2e9h h ALA 89 Cb 1.21 0.70 -0.17 0.00 0.00 0.00 0.00 17.79 19.53 2e9h h ALA 89 CO 0.63 -0.44 -0.12 -0.91 0.00 0.00 0.00 179.25 178.40 2e9h h ASN 90 N 0.00 -0.67 0.64 0.00 2.35 -1.94 -0.30 115.58 115.66 2e9h h ASN 90 Ca 0.51 0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 56.49 2e9h h ASN 90 Cb 0.88 0.51 0.01 0.00 0.05 0.00 0.00 38.32 39.77 2e9h h ASN 90 CO -0.98 -0.30 -0.31 0.50 -1.65 0.00 0.00 177.43 174.70 2e9h h LYS 91 N 0.02 -0.83 -0.96 0.81 3.64 -0.67 -2.81 116.57 115.77 2e9h h LYS 91 Ca 0.48 0.06 0.25 0.00 -1.27 0.00 0.00 60.65 60.17 2e9h h LYS 91 Cb 0.83 0.19 -0.18 0.00 -0.41 0.00 0.00 32.23 32.66 2e9h h LYS 91 CO -0.89 -0.53 -0.02 1.28 -2.27 0.00 0.00 179.45 177.02 2e9h n LEU 92 N -5.35 -0.15 -0.30 5.20 4.77 -0.54 0.16 117.00 120.79 2e9h n LEU 92 Ca -0.11 1.63 -0.05 0.00 -0.03 0.00 0.00 56.01 57.46 2e9h n LEU 92 Cb 0.35 -0.58 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 2e9h n LEU 92 CO 0.28 -1.64 1.15 1.56 -1.33 0.00 0.00 177.39 177.41 2e9h h GLN 93 N 0.00 1.15 -0.43 3.23 1.08 -1.09 0.31 115.11 119.35 2e9h h GLN 93 Ca 0.56 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 2e9h h GLN 93 Cb 1.13 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2e9h h GLN 93 CO -0.92 0.84 0.19 0.22 -0.95 0.00 0.00 178.83 178.21 2e9h h ASP 94 N 1.15 0.58 0.41 1.46 3.58 0.19 -2.79 116.42 120.99 2e9h h ASP 94 Ca 0.29 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2e9h h ASP 94 Cb 0.01 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2e9h h ASP 94 CO -0.05 0.57 -0.20 0.24 -2.88 0.00 0.00 179.24 176.93 2e9h h MET 95 N 0.55 -0.53 -1.59 0.28 2.86 -0.76 -3.20 114.93 112.54 2e9h h MET 95 Ca 0.15 0.04 0.50 0.00 -2.06 0.00 0.00 59.70 58.32 2e9h h MET 95 Cb 0.16 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 31.83 2e9h h MET 95 CO -0.01 -0.31 1.09 -0.11 1.06 0.00 0.00 176.91 178.63 2e9h n LEU 96 N -5.14 0.11 -0.24 1.22 7.94 0.10 0.68 117.00 121.68 2e9h n LEU 96 Ca -0.08 1.16 0.04 0.00 -1.11 0.00 0.00 56.01 56.03 2e9h n LEU 96 Cb 0.24 -0.57 0.15 0.00 0.53 0.00 0.00 43.42 43.77 2e9h n LEU 96 CO 0.19 -1.22 0.87 -0.78 -1.11 0.00 0.00 177.39 175.34 2e9h h ASP 97 N 0.00 -0.17 -0.81 1.96 3.58 -1.48 -0.12 116.42 119.38 2e9h h ASP 97 Ca 0.87 0.16 0.19 0.00 0.42 0.00 0.00 57.03 58.67 2e9h h ASP 97 Cb 3.15 0.26 -0.12 0.00 1.72 0.00 0.00 39.33 44.34 2e9h h ASP 97 CO -0.25 -0.10 0.26 1.23 -2.88 0.00 0.00 179.24 177.50 2e9h h GLY 98 N 0.18 1.24 0.90 -0.78 0.00 0.08 0.63 103.07 105.32 2e9h h GLY 98 Ca 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 2e9h h GLY 98 CO -0.56 -0.24 -0.43 -2.75 0.00 0.00 0.00 176.54 172.56 2e9h h PHE 99 N 0.31 -1.12 -0.06 5.60 3.57 -1.16 -2.83 116.94 121.26 2e9h h PHE 99 Ca 0.48 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.97 2e9h h PHE 99 Cb 0.88 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 2e9h h PHE 99 CO -0.22 -0.69 0.06 0.82 -2.23 0.00 0.00 178.31 176.04 2e9h h ILE 100 N -1.29 0.69 -0.73 1.41 2.04 -1.17 0.51 117.51 118.97 2e9h h ILE 100 Ca -0.12 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.95 2e9h h ILE 100 Cb 0.92 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2e9h h ILE 100 CO 0.20 0.00 0.56 0.50 0.00 0.00 0.00 178.15 179.42 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 1.63 0.52 0.34 116.57 121.44 2e9h h LYS 101 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2e9h h LYS 101 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2e9h h LYS 101 CO -0.00 0.00 0.00 0.36 -3.45 0.00 0.00 179.45 176.36 2e9h n LYS 102 N -4.15 0.00 0.07 1.90 2.85 -0.60 -4.30 118.16 113.94 2e9h n LYS 102 Ca 0.15 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.56 2e9h n LYS 102 Cb 0.83 -0.16 0.33 0.00 -0.65 0.00 0.00 35.03 35.38 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 -0.19 -3.08 116.94 118.25 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 -0.03 0.28 -1.61 0.00 0.00 178.31 176.95 2e9h n VAL 104 N -2.97 0.52 -0.49 -0.55 0.31 -1.13 -4.94 118.33 109.09 2e9h n VAL 104 Ca 0.11 0.18 -0.28 0.00 -0.01 0.00 0.00 64.34 64.34 2e9h n VAL 104 Cb 1.15 -1.29 0.26 0.00 -0.91 0.00 0.00 33.84 33.05 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 -5.86 0.75 -0.11 7.52 1.43 0.12 -4.11 118.68 118.42 2e9h s LEU 105 Ca -0.01 1.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.63 2e9h s LEU 105 Cb 0.00 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2e9h s LEU 105 CO 0.01 -4.33 -0.07 0.00 0.23 0.00 0.00 176.35 172.19 2e9h n PRO 107 N 3.01 0.49 0.02 0.00 -0.04 -1.26 0.95 135.00 138.17 2e9h n PRO 107 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2e9h n PRO 107 Cb 0.53 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.70 0.00 -0.24 0.54 -0.58 -1.26 -4.85 120.64 113.56 2e9h n GLU 108 Ca 0.05 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 2e9h n GLU 108 Cb 0.02 -0.32 0.17 0.00 -0.57 0.00 0.00 31.44 30.74 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 -0.45 -2.13 -2.24 0.00 0.00 0.27 -4.73 120.64 111.36 2e9h n GLU 110 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.89 2e9h n GLU 110 Cb 0.64 -3.95 -0.03 0.00 0.00 0.00 0.00 31.44 28.10 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2e9h s ASN 111 N -1.50 6.86 0.00 -1.84 3.84 -1.26 -3.99 114.94 117.06 2e9h s ASN 111 Ca 0.00 2.06 0.14 0.00 0.21 0.00 0.00 52.86 55.27 2e9h s ASN 111 Cb 0.00 -2.56 0.84 0.00 -0.55 0.00 0.00 41.25 38.98 2e9h s ASN 111 CO 0.00 -0.73 1.26 -0.81 -2.79 0.00 0.00 177.10 174.03 2e9h n PRO 112 N 5.61 0.49 -3.95 0.43 -0.04 -1.26 -2.08 135.00 134.20 2e9h n PRO 112 Ca 0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 2e9h n PRO 112 Cb 0.44 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.00 1.73 0.25 0.54 0.41 -1.26 -4.65 118.70 113.73 2e9h s GLU 113 Ca 0.21 -2.08 0.02 0.00 -0.41 0.00 0.00 54.97 52.71 2e9h s GLU 113 Cb 0.10 -3.32 -0.05 0.00 -1.78 0.00 0.00 34.13 29.07 2e9h s GLU 113 CO 0.16 -1.01 0.05 0.95 -0.49 0.00 0.00 175.26 174.92 2e9h s THR 114 N 0.60 0.81 0.18 3.63 -4.23 -1.26 -4.69 115.64 110.67 2e9h s THR 114 Ca 0.12 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.68 2e9h s THR 114 Cb -0.21 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 2e9h s THR 114 CO -0.05 -0.13 0.17 -1.81 -0.54 0.00 0.00 174.62 172.26 2e9h s ASP 115 N -3.33 5.67 -0.10 3.99 1.01 0.14 -4.98 116.67 119.08 2e9h s ASP 115 Ca 0.34 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.50 2e9h s ASP 115 Cb 0.07 -1.52 0.02 0.00 1.01 0.00 0.00 42.92 42.50 2e9h s ASP 115 CO 0.12 0.05 -0.08 -0.76 0.21 0.00 0.00 175.17 174.71 2e9h s LEU 116 N -3.26 1.22 -0.12 1.23 1.43 -1.26 -1.50 118.68 116.42 2e9h s LEU 116 Ca 0.32 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2e9h s LEU 116 Cb -0.10 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 2e9h s LEU 116 CO 0.25 -0.09 -0.06 -1.00 0.23 0.00 0.00 176.35 175.67 2e9h s HIS 117 N 1.50 2.98 -0.07 0.29 3.76 0.14 -4.99 115.29 118.90 2e9h s HIS 117 Ca 0.01 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 54.77 2e9h s HIS 117 Cb -0.13 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.70 2e9h s HIS 117 CO -0.05 0.10 -0.25 0.54 -0.85 0.00 0.00 174.74 174.23 2e9h s VAL 118 N -0.11 2.04 -0.24 -0.90 0.11 -1.26 -0.92 120.40 119.11 2e9h s VAL 118 Ca 0.02 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 2e9h s VAL 118 Cb -0.13 -1.74 0.06 0.00 -1.53 0.00 0.00 36.38 33.04 2e9h s VAL 118 CO 0.03 0.56 -0.05 0.20 -3.33 0.00 0.00 175.10 172.51 2e9h s ASN 119 N 0.01 3.92 0.31 3.54 0.01 -1.15 -4.99 114.94 116.59 2e9h s ASN 119 Ca -0.09 -1.22 0.09 0.00 -0.71 0.00 0.00 52.86 50.94 2e9h s ASN 119 Cb -0.15 -1.21 0.48 0.00 0.41 0.00 0.00 41.25 40.78 2e9h s ASN 119 CO 0.05 -0.24 1.70 1.55 -1.51 0.00 0.00 177.10 178.66 2e9h h PRO 120 N 7.93 0.10 0.12 -0.60 0.13 -1.89 0.27 132.00 138.06 2e9h h PRO 120 Ca -0.18 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2e9h h PRO 120 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2e9h h PRO 120 CO 0.42 0.56 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.47 2e9h h LYS 121 N 0.08 -0.15 0.00 0.86 1.63 -1.98 -3.27 116.57 113.74 2e9h h LYS 121 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2e9h h LYS 121 Cb 0.88 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2e9h h LYS 121 CO 0.07 0.30 0.00 0.87 -3.45 0.00 0.00 179.45 177.24 2e9h h LYS 122 N -0.91 0.00 -6.19 1.90 1.79 -1.99 -3.47 116.57 107.70 2e9h h LYS 122 Ca -0.02 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.01 2e9h h LYS 122 Cb 0.52 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2e9h h LYS 122 CO 0.03 0.00 -0.81 1.04 -1.08 0.00 0.00 179.45 178.63 2e9h n GLN 123 N -2.36 -5.00 -3.84 3.15 1.13 0.94 -4.98 117.38 106.43 2e9h n GLN 123 Ca 0.04 0.60 -0.12 0.00 -1.94 0.00 0.00 57.00 55.57 2e9h n GLN 123 Cb 0.34 -5.23 -0.12 0.00 0.11 0.00 0.00 30.24 25.34 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2e9h s THR 124 N -3.57 0.02 -0.15 5.09 -4.23 -1.12 -5.02 115.64 106.65 2e9h s THR 124 Ca 0.23 -0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.51 2e9h s THR 124 Cb -0.11 -0.22 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 2e9h s THR 124 CO 0.82 -0.07 0.20 -0.63 -0.54 0.00 0.00 174.62 174.40 2e9h s ILE 125 N -0.18 5.38 -0.10 2.99 1.01 -1.26 -2.93 121.20 126.11 2e9h s ILE 125 Ca -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 2e9h s ILE 125 Cb -0.02 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.97 2e9h s ILE 125 CO 0.00 0.50 -0.03 -0.83 0.00 0.00 0.00 174.94 174.58 2e9h s GLY 126 N -0.21 0.67 -0.14 6.18 0.00 -0.10 -0.05 107.32 113.67 2e9h s GLY 126 Ca 0.14 -0.37 -0.11 0.00 0.00 0.00 0.00 44.72 44.37 2e9h s GLY 126 CO 0.03 0.99 0.23 0.54 0.00 0.00 0.00 173.10 174.89 2e9h s ASN 127 N 1.83 6.42 -0.03 1.64 4.22 -1.24 0.28 114.94 128.06 2e9h s ASN 127 Ca 0.05 0.49 0.06 0.00 -2.14 0.00 0.00 52.86 51.32 2e9h s ASN 127 Cb -0.13 -2.14 -0.01 0.00 1.28 0.00 0.00 41.25 40.25 2e9h s ASN 127 CO -0.07 0.24 -0.22 -0.94 -2.04 0.00 0.00 177.10 174.07 2e9h s SER 128 N -0.19 2.62 0.19 3.54 1.04 -0.56 -3.24 113.70 117.09 2e9h s SER 128 Ca 0.15 -0.41 0.11 0.00 0.48 0.00 0.00 55.95 56.27 2e9h s SER 128 Cb -0.13 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 2e9h s SER 128 CO 0.04 0.25 -0.20 0.00 0.98 0.00 0.00 173.24 174.31 2e9h n LYS 130 N 0.22 0.35 -0.35 0.00 5.02 -1.26 -3.20 118.16 118.93 2e9h n LYS 130 Ca -0.12 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 2e9h n LYS 130 Cb 0.56 -1.20 0.11 0.00 -0.02 0.00 0.00 35.03 34.48 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e9h n ALA 131 N -3.19 0.14 -0.06 7.82 0.00 -1.26 -3.15 120.51 120.81 2e9h n ALA 131 Ca -0.27 1.03 -0.08 0.00 0.00 0.00 0.00 53.44 54.12 2e9h n ALA 131 Cb 0.75 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 2e9h n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e9h n GLY 133 N 2.89 0.65 3.73 0.00 0.00 -1.19 -5.11 105.19 106.17 2e9h n GLY 133 Ca -0.21 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.98 3.28 -0.04 1.61 6.14 -1.20 -4.90 117.35 121.26 2e9h s TYR 134 Ca 0.00 0.27 -0.10 0.00 0.64 0.00 0.00 57.07 57.88 2e9h s TYR 134 Cb 0.00 -1.84 0.02 0.00 0.42 0.00 0.00 41.96 40.56 2e9h s TYR 134 CO 0.00 0.52 0.23 1.03 0.64 0.00 0.00 175.55 177.97 2e9h s ARG 135 N -0.86 0.45 0.00 4.97 0.52 -1.26 -0.30 118.95 122.48 2e9h s ARG 135 Ca 0.13 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 2e9h s ARG 135 Cb -0.12 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.56 2e9h s ARG 135 CO 0.03 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2e9h n GLY 136 N 2.05 -0.90 2.86 -3.53 0.00 -1.20 -5.04 105.19 99.43 2e9h n GLY 136 Ca -0.18 -0.15 -0.27 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 -0.00 1.26 0.39 1.61 0.23 -1.26 -3.67 119.30 117.85 2e9h s MET 137 Ca 0.00 -0.36 -0.26 0.00 -1.03 0.00 0.00 55.69 54.04 2e9h s MET 137 Cb 0.00 -1.77 -0.09 0.00 -1.53 0.00 0.00 34.83 31.44 2e9h s MET 137 CO 0.00 -0.40 1.26 -0.51 -2.03 0.00 0.00 175.02 173.35 2e9h s LEU 138 N 1.72 4.24 -0.51 0.18 1.43 0.93 -4.92 118.68 121.75 2e9h s LEU 138 Ca 0.02 2.57 -0.01 0.00 -1.03 0.00 0.00 54.13 55.68 2e9h s LEU 138 Cb -0.14 -3.89 0.40 0.00 0.03 0.00 0.00 46.19 42.58 2e9h s LEU 138 CO -0.07 -0.75 1.98 -0.67 0.23 0.00 0.00 176.35 177.07 2e9h n ASP 139 N 0.23 6.61 -4.55 2.29 2.03 -1.26 -4.51 116.55 117.39 2e9h n ASP 139 Ca 0.03 -3.49 -0.50 0.00 0.52 0.00 0.00 54.79 51.36 2e9h n ASP 139 Cb 0.44 -0.97 -0.06 0.00 -0.72 0.00 0.00 41.12 39.82 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 -0.53 0.32 -1.06 5.18 -1.04 -1.26 -4.76 114.28 111.12 2e9h n THR 140 Ca 0.51 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.05 61.87 2e9h n THR 140 Cb 0.78 -1.79 -0.06 0.00 -1.82 0.00 0.00 70.33 67.44 2e9h n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2e9h n HIS 141 N 8.91 0.64 -0.31 -1.42 1.44 -1.26 -4.00 115.22 119.21 2e9h n HIS 141 Ca 0.34 0.73 0.15 0.00 -2.01 0.00 0.00 57.72 56.93 2e9h n HIS 141 Cb 0.27 -1.44 0.29 0.00 0.12 0.00 0.00 29.99 29.23 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 1.47 0.63 -0.41 -1.40 8.25 -1.26 -0.41 115.22 122.09 2e9h n HIS 142 Ca 0.16 1.09 -0.09 0.00 -0.26 0.00 0.00 57.72 58.62 2e9h n HIS 142 Cb 0.03 -1.21 -0.08 0.00 1.12 0.00 0.00 29.99 29.85 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2e9h n LYS 143 N -5.31 -0.40 -0.02 -0.41 3.00 -1.26 -0.42 118.16 113.33 2e9h n LYS 143 Ca 0.23 1.50 -0.12 0.00 -0.00 0.00 0.00 58.31 59.92 2e9h n LYS 143 Cb 0.75 -2.21 -0.10 0.00 0.00 0.00 0.00 35.03 33.47 2e9h n LYS 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2e9h h LEU 144 N 0.00 -0.05 -0.84 3.14 5.85 -1.03 -3.33 115.31 119.05 2e9h h LEU 144 Ca 0.19 -0.64 0.16 0.00 0.84 0.00 0.00 57.88 58.43 2e9h h LEU 144 Cb 0.44 0.01 -0.15 0.00 0.37 0.00 0.00 40.66 41.32 2e9h h LEU 144 CO -0.94 0.69 -0.24 0.00 -0.34 0.00 0.00 178.44 177.61 2e9h h THR 146 N 0.00 0.43 -0.48 0.00 2.02 -0.85 0.16 112.91 114.19 2e9h h THR 146 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 2e9h h THR 146 Cb 0.59 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2e9h h THR 146 CO -0.86 0.00 0.25 0.15 0.37 0.00 0.00 175.52 175.43 2e9h h PHE 147 N -0.08 0.67 -0.06 3.16 3.04 0.20 0.69 116.94 124.55 2e9h h PHE 147 Ca 0.22 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.16 2e9h h PHE 147 Cb 0.42 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 2e9h h PHE 147 CO -0.44 0.51 -0.06 0.82 -2.02 0.00 0.00 178.31 177.12 2e9h h ILE 148 N 0.63 0.81 -0.40 1.41 2.04 0.04 0.11 117.51 122.15 2e9h h ILE 148 Ca 0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 2e9h h ILE 148 Cb 0.08 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2e9h h ILE 148 CO -0.02 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.16 2e9h h LEU 149 N -0.08 0.60 -0.55 1.44 3.38 -0.60 -2.99 115.31 116.50 2e9h h LEU 149 Ca 0.05 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2e9h h LEU 149 Cb 0.15 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2e9h h LEU 149 CO -0.11 0.66 0.32 0.11 0.09 0.00 0.00 178.44 179.51 2e9h h LYS 150 N 0.51 0.62 -4.22 1.13 1.79 -0.59 -3.38 116.57 112.44 2e9h h LYS 150 Ca 0.13 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.94 2e9h h LYS 150 Cb 0.29 -0.14 -0.40 0.00 -1.58 0.00 0.00 32.23 30.40 2e9h h LYS 150 CO -0.00 0.41 -0.75 -0.80 -1.08 0.00 0.00 179.45 177.23 2e9h s ASN 151 N -5.60 4.34 1.00 0.86 0.01 0.35 -5.09 114.94 110.82 2e9h s ASN 151 Ca -0.13 -1.79 -0.12 0.00 -0.71 0.00 0.00 52.86 50.10 2e9h s ASN 151 Cb 0.14 -1.27 0.19 0.00 0.41 0.00 0.00 41.25 40.72 2e9h s ASN 151 CO 0.74 -0.37 1.09 -2.16 -1.51 0.00 0.00 177.10 174.90 2e9h s PRO 152 N 1.25 0.40 1.09 -0.60 0.04 -1.18 -4.52 135.00 131.49 2e9h s PRO 152 Ca 0.07 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.48 2e9h s PRO 152 Cb -0.18 -1.73 0.23 0.00 0.04 0.00 0.00 34.50 32.86 2e9h s PRO 152 CO -0.14 -2.75 1.10 -1.25 0.04 0.00 0.00 177.00 173.99 2e9h s PRO 153 N -4.96 -0.34 -1.05 0.56 0.04 -1.26 -3.75 135.00 124.23 2e9h s PRO 153 Ca 0.65 0.25 -0.09 0.00 0.04 0.00 0.00 61.00 61.85 2e9h s PRO 153 Cb -0.19 -1.67 0.09 0.00 0.04 0.00 0.00 34.50 32.77 2e9h s PRO 153 CO 0.58 -3.19 0.22 0.39 0.04 0.00 0.00 177.00 175.04 2e9h n GLU 154 N -4.45 -0.88 -4.23 4.56 1.02 -1.26 -4.86 120.64 110.55 2e9h n GLU 154 Ca 0.08 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.97 2e9h n GLU 154 Cb 0.58 -2.56 -0.08 0.00 -0.02 0.00 0.00 31.44 29.36 2e9h n GLU 154 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2e9h s ASN 155 N -2.90 5.28 0.19 1.62 2.47 -1.25 -5.12 114.94 115.23 2e9h s ASN 155 Ca 0.31 0.03 -0.07 0.00 0.42 0.00 0.00 52.86 53.55 2e9h s ASN 155 Cb -0.18 -1.42 -0.02 0.00 -1.45 0.00 0.00 41.25 38.18 2e9h s ASN 155 CO 0.61 0.28 0.28 -0.44 -3.72 0.00 0.00 177.10 174.10 2e9h s SER 156 N -1.61 0.06 0.00 -4.21 0.01 -1.26 -5.08 113.70 101.61 2e9h s SER 156 Ca 0.20 -1.04 0.30 0.00 1.31 0.00 0.00 55.95 56.73 2e9h s SER 156 Cb -0.12 0.45 1.78 0.00 0.21 0.00 0.00 66.02 68.35 2e9h s SER 156 CO 0.11 -0.93 2.11 -0.90 0.41 0.00 0.00 173.24 174.05