#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 6.75 0.14 1.61 0.15 -1.26 -5.00 113.70 116.10 2e9h s SER 2 Ca 0.00 -2.27 0.05 0.00 0.70 0.00 0.00 55.95 54.43 2e9h s SER 2 Cb 0.00 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2e9h s SER 2 CO 0.00 -1.02 0.07 -0.94 1.20 0.00 0.00 173.24 172.55 2e9h s SER 3 N 3.56 5.22 -0.45 5.45 1.04 -1.26 -5.09 113.70 122.17 2e9h s SER 3 Ca 0.38 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.62 2e9h s SER 3 Cb -0.03 -1.28 0.12 0.00 0.10 0.00 0.00 66.02 64.92 2e9h s SER 3 CO -0.06 0.11 0.21 -0.83 0.98 0.00 0.00 173.24 173.64 2e9h s GLY 4 N -2.83 2.17 -0.12 7.32 0.00 -1.26 -4.97 107.32 107.63 2e9h s GLY 4 Ca 0.29 -2.84 -0.04 0.00 0.00 0.00 0.00 44.72 42.13 2e9h s GLY 4 CO 0.21 1.01 2.92 -1.14 0.00 0.00 0.00 173.10 176.09 2e9h n SER 5 N 3.93 5.64 -0.25 1.64 3.41 -1.26 -4.66 113.62 122.07 2e9h n SER 5 Ca 0.03 -2.67 -0.11 0.00 -0.26 0.00 0.00 58.87 55.86 2e9h n SER 5 Cb 0.39 -1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 62.98 2e9h n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2e9h h SER 6 N 2.38 -1.84 -5.02 4.04 0.87 -2.06 -3.44 113.55 108.48 2e9h h SER 6 Ca 0.20 0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 61.01 2e9h h SER 6 Cb 1.18 0.80 -0.12 0.00 -0.44 0.00 0.00 62.40 63.82 2e9h h SER 6 CO 0.37 -0.33 0.15 -0.83 -0.53 0.00 0.00 176.83 175.66 2e9h s GLY 7 N -2.58 -0.53 0.02 5.77 0.00 -1.26 -5.17 107.32 103.57 2e9h s GLY 7 Ca -0.14 0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.96 2e9h s GLY 7 CO 0.63 0.05 -0.10 -0.29 0.00 0.00 0.00 173.10 173.40 2e9h s MET 8 N -3.77 0.71 0.29 2.90 -2.45 -1.26 -5.16 119.30 110.56 2e9h s MET 8 Ca 0.02 -0.59 0.06 0.00 -1.25 0.00 0.00 55.69 53.93 2e9h s MET 8 Cb -0.01 -0.65 -0.02 0.00 1.25 0.00 0.00 34.83 35.40 2e9h s MET 8 CO -0.12 0.16 0.39 -1.12 1.05 0.00 0.00 175.02 175.38 2e9h s SER 9 N -0.92 6.03 0.52 1.11 0.01 -1.26 -4.60 113.70 114.60 2e9h s SER 9 Ca -0.01 -0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.21 2e9h s SER 9 Cb -0.07 -1.49 0.03 0.00 0.21 0.00 0.00 66.02 64.71 2e9h s SER 9 CO 0.01 -0.24 0.48 0.68 0.41 0.00 0.00 173.24 174.57 2e9h s VAL 10 N -2.10 1.97 0.28 3.43 -7.23 -0.32 -4.88 120.40 111.55 2e9h s VAL 10 Ca 0.39 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 2e9h s VAL 10 Cb -0.09 -2.34 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 2e9h s VAL 10 CO 0.29 0.00 1.19 0.20 -0.31 0.00 0.00 175.10 176.48 2e9h s ASN 11 N -4.32 7.07 0.31 4.85 0.01 -1.26 -0.82 114.94 120.77 2e9h s ASN 11 Ca 0.43 2.40 0.20 0.00 -0.71 0.00 0.00 52.86 55.18 2e9h s ASN 11 Cb -0.03 -2.63 1.09 0.00 0.41 0.00 0.00 41.25 40.09 2e9h s ASN 11 CO 0.26 -0.32 1.21 0.52 -1.51 0.00 0.00 177.10 177.26 2e9h n VAL 12 N 1.36 -0.27 -4.82 1.60 0.31 -1.22 -4.14 118.33 111.15 2e9h n VAL 12 Ca 0.01 1.49 -0.30 0.00 -0.01 0.00 0.00 64.34 65.52 2e9h n VAL 12 Cb 0.44 -2.43 -0.14 0.00 -0.91 0.00 0.00 33.84 30.79 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 -4.51 3.40 -0.19 4.52 0.01 -1.26 -4.91 114.94 112.01 2e9h s ASN 13 Ca -0.06 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.58 2e9h s ASN 13 Cb 0.25 -0.41 0.29 0.00 0.41 0.00 0.00 41.25 41.79 2e9h s ASN 13 CO 0.62 0.26 1.38 0.54 -1.51 0.00 0.00 177.10 178.38 2e9h n ARG 14 N 1.71 1.60 -0.01 -0.60 5.12 -1.26 -3.63 116.66 119.59 2e9h n ARG 14 Ca -0.17 -1.30 0.01 0.00 -1.93 0.00 0.00 57.85 54.47 2e9h n ARG 14 Cb 0.52 -1.52 -0.04 0.00 -1.16 0.00 0.00 32.46 30.26 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 -0.19 3.77 -4.44 0.55 2.88 -1.26 -4.99 113.62 109.95 2e9h n SER 15 Ca 0.25 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.45 2e9h n SER 15 Cb 0.99 1.04 -0.13 0.00 -0.75 0.00 0.00 64.21 65.36 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 -2.29 3.58 -0.13 2.46 0.11 -1.24 -4.99 120.40 117.90 2e9h s VAL 16 Ca -0.02 -0.46 0.12 0.00 -2.93 0.00 0.00 61.98 58.68 2e9h s VAL 16 Cb 0.03 -2.56 -0.24 0.00 -1.53 0.00 0.00 36.38 32.08 2e9h s VAL 16 CO 0.22 0.49 0.33 -1.20 -3.33 0.00 0.00 175.10 171.61 2e9h n SER 17 N 3.69 0.77 -3.27 3.54 7.64 -1.26 -4.77 113.62 119.95 2e9h n SER 17 Ca -0.18 0.19 -0.44 0.00 1.01 0.00 0.00 58.87 59.45 2e9h n SER 17 Cb 0.52 0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.89 2e9h n SER 17 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2e9h n ASP 18 N -3.00 0.27 -1.31 6.43 8.00 -1.26 -4.75 116.55 120.93 2e9h n ASP 18 Ca -0.27 0.83 -0.06 0.00 0.71 0.00 0.00 54.79 56.01 2e9h n ASP 18 Cb 1.09 -0.65 0.04 0.00 -0.02 0.00 0.00 41.12 41.58 2e9h n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h n GLN 19 N 1.64 1.30 -0.03 -1.24 10.64 -1.26 -3.58 117.38 124.84 2e9h n GLN 19 Ca 0.17 -0.71 0.03 0.00 -1.83 0.00 0.00 57.00 54.66 2e9h n GLN 19 Cb 0.03 -1.28 -0.13 0.00 -0.86 0.00 0.00 30.24 27.99 2e9h n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2e9h n PHE 20 N 0.16 0.00 -1.42 2.61 3.01 -1.26 -4.96 117.46 115.60 2e9h n PHE 20 Ca 0.14 0.00 -0.55 0.00 1.01 0.00 0.00 57.45 58.05 2e9h n PHE 20 Cb 0.76 -0.54 -0.09 0.00 -0.01 0.00 0.00 39.48 39.61 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 -2.28 1.50 0.38 1.38 4.19 -1.23 -4.85 117.16 116.25 2e9h n TYR 21 Ca -0.11 0.52 -0.17 0.00 3.31 0.00 0.00 57.90 61.45 2e9h n TYR 21 Cb 0.65 -2.42 -0.08 0.00 0.49 0.00 0.00 39.34 37.97 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 10.29 -1.00 -6.79 2.98 1.12 -1.95 -3.42 114.38 115.60 2e9h h ARG 22 Ca -0.24 0.07 -0.52 0.00 -1.11 0.00 0.00 59.98 58.18 2e9h h ARG 22 Cb 1.36 0.23 0.04 0.00 -0.01 0.00 0.00 29.97 31.59 2e9h h ARG 22 CO 1.04 -0.66 0.60 0.71 -3.11 0.00 0.00 179.97 178.54 2e9h s TYR 23 N -5.42 3.25 0.03 2.20 2.02 -1.26 -5.04 117.35 113.14 2e9h s TYR 23 Ca -0.16 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.96 2e9h s TYR 23 Cb 0.02 -3.55 -0.02 0.00 -0.40 0.00 0.00 41.96 38.00 2e9h s TYR 23 CO 0.49 -1.54 -0.04 0.15 -1.57 0.00 0.00 175.55 173.04 2e9h s LYS 24 N -1.11 0.40 -0.03 -0.62 -0.14 -1.26 -3.46 119.74 113.52 2e9h s LYS 24 Ca 0.51 -0.74 0.04 0.00 -1.36 0.00 0.00 55.97 54.42 2e9h s LYS 24 Cb -0.37 0.05 -0.01 0.00 -1.68 0.00 0.00 37.83 35.83 2e9h s LYS 24 CO 0.45 -0.04 -0.17 0.00 -0.76 0.00 0.00 175.35 174.83 2e9h s MET 25 N -1.90 1.62 -0.21 1.68 0.23 0.00 -4.84 119.30 115.89 2e9h s MET 25 Ca -0.11 -0.59 -0.29 0.00 -1.03 0.00 0.00 55.69 53.67 2e9h s MET 25 Cb -0.07 -1.45 -0.03 0.00 -1.53 0.00 0.00 34.83 31.75 2e9h s MET 25 CO -0.02 0.27 1.60 -1.25 -2.03 0.00 0.00 175.02 173.59 2e9h s PRO 26 N -0.06 3.84 -0.49 3.16 0.04 -1.26 -1.17 135.00 139.05 2e9h s PRO 26 Ca -0.01 1.69 -0.44 0.00 0.04 0.00 0.00 61.00 62.28 2e9h s PRO 26 Cb -0.10 -4.02 -0.19 0.00 0.04 0.00 0.00 34.50 30.23 2e9h s PRO 26 CO 0.01 -1.24 1.96 0.54 0.04 0.00 0.00 177.00 178.31 2e9h n ARG 27 N 7.59 0.08 -1.69 4.56 1.74 -1.26 -4.77 116.66 122.91 2e9h n ARG 27 Ca 0.18 0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.90 2e9h n ARG 27 Cb 0.45 -1.56 0.03 0.00 -1.02 0.00 0.00 32.46 30.36 2e9h n ARG 27 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2e9h n LEU 28 N 6.45 4.30 -4.79 0.55 -0.00 -1.26 -5.01 117.00 117.24 2e9h n LEU 28 Ca 0.46 1.00 -0.25 0.00 -0.00 0.00 0.00 56.01 57.22 2e9h n LEU 28 Cb -0.03 -1.49 -0.05 0.00 -0.00 0.00 0.00 43.42 41.85 2e9h n LEU 28 CO 0.88 -0.96 -0.22 -0.63 -0.00 0.00 0.00 177.39 176.47 2e9h s ILE 29 N -1.30 4.40 -0.06 1.47 1.01 -1.26 -4.95 121.20 120.51 2e9h s ILE 29 Ca 0.68 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2e9h s ILE 29 Cb -0.46 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 38.75 2e9h s ILE 29 CO 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 174.94 175.28 2e9h s ALA 30 N -1.86 0.69 -0.21 9.38 0.00 -1.26 -3.69 121.76 124.81 2e9h s ALA 30 Ca 0.31 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 2e9h s ALA 30 Cb -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2e9h s ALA 30 CO 0.23 -0.31 0.10 0.21 0.00 0.00 0.00 175.76 176.00 2e9h s LYS 31 N 1.60 3.99 0.01 0.00 2.20 -1.08 -4.77 119.74 121.68 2e9h s LYS 31 Ca -0.01 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 2e9h s LYS 31 Cb -0.13 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2e9h s LYS 31 CO -0.04 0.16 -0.04 0.08 -0.36 0.00 0.00 175.35 175.15 2e9h s VAL 32 N 0.73 0.32 0.13 4.02 1.01 -1.26 -1.74 120.40 123.62 2e9h s VAL 32 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2e9h s VAL 32 Cb -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2e9h s VAL 32 CO 0.02 -0.02 0.03 -1.61 0.00 0.00 0.00 175.10 173.51 2e9h s GLU 33 N -0.39 0.94 1.04 2.72 0.41 -1.26 -5.04 118.70 117.11 2e9h s GLU 33 Ca -0.01 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 2e9h s GLU 33 Cb -0.03 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.40 2e9h s GLU 33 CO -0.00 -0.20 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 2e9h n GLY 34 N -0.11 -0.11 3.14 -1.39 0.00 -1.26 -4.21 105.19 101.25 2e9h n GLY 34 Ca -0.07 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.56 0.00 1.61 1.02 -1.26 -4.77 119.74 116.90 2e9h s LYS 35 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.75 2e9h s LYS 35 Cb 0.00 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 2e9h s LYS 35 CO 0.00 -0.83 0.00 0.41 -0.92 0.00 0.00 175.35 174.01 2e9h n GLY 36 N 5.42 1.95 1.35 -3.33 0.00 -1.26 -4.75 105.19 104.56 2e9h n GLY 36 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2e9h n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e9h n ASN 37 N 1.35 3.82 0.00 1.61 5.15 -1.26 -4.46 115.26 121.46 2e9h n ASN 37 Ca 0.00 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 2e9h n ASN 37 Cb 0.00 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2e9h n GLY 38 N 0.38 1.91 3.69 8.20 0.00 -1.26 -5.04 105.19 113.06 2e9h n GLY 38 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 4.05 0.03 -0.61 2.07 -1.26 -4.91 121.20 118.57 2e9h s ILE 39 Ca 0.00 1.39 -0.02 0.00 -1.41 0.00 0.00 60.65 60.60 2e9h s ILE 39 Cb 0.00 -3.89 -0.02 0.00 0.13 0.00 0.00 42.46 38.68 2e9h s ILE 39 CO 0.00 -0.01 0.02 -1.59 -1.91 0.00 0.00 174.94 171.45 2e9h s LYS 40 N 2.37 0.48 -0.34 3.50 -2.85 -1.26 -3.55 119.74 118.09 2e9h s LYS 40 Ca 0.59 -0.80 -0.08 0.00 -1.00 0.00 0.00 55.97 54.67 2e9h s LYS 40 Cb -0.27 0.18 0.03 0.00 -2.06 0.00 0.00 37.83 35.70 2e9h s LYS 40 CO 0.23 -0.10 0.14 0.99 0.10 0.00 0.00 175.35 176.71 2e9h s THR 41 N -2.45 4.17 -0.44 3.79 2.01 -0.50 -4.21 115.64 118.01 2e9h s THR 41 Ca -0.07 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2e9h s THR 41 Cb -0.02 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.24 2e9h s THR 41 CO -0.04 -0.13 0.35 -0.69 -0.69 0.00 0.00 174.62 173.41 2e9h s VAL 42 N 1.49 5.24 -1.00 3.82 1.01 -0.71 -0.90 120.40 129.34 2e9h s VAL 42 Ca 0.01 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 2e9h s VAL 42 Cb -0.19 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2e9h s VAL 42 CO 0.04 -0.43 1.77 -0.63 0.00 0.00 0.00 175.10 175.86 2e9h s ILE 43 N 1.70 3.66 0.10 2.22 1.01 -1.10 -2.64 121.20 126.14 2e9h s ILE 43 Ca 0.05 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 2e9h s ILE 43 Cb -0.21 -4.49 -0.09 0.00 0.01 0.00 0.00 42.46 37.67 2e9h s ILE 43 CO 0.09 -1.34 1.71 0.58 0.00 0.00 0.00 174.94 175.97 2e9h h VAL 44 N 6.86 1.09 -0.20 2.92 2.07 -1.84 -2.87 116.25 124.29 2e9h h VAL 44 Ca 0.17 -0.23 -0.20 0.00 0.82 0.00 0.00 66.70 67.26 2e9h h VAL 44 Cb 0.99 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 2e9h h VAL 44 CO 1.30 0.08 -0.10 -3.20 0.02 0.00 0.00 177.57 175.67 2e9h n ASN 45 N -4.94 5.56 -0.09 0.57 2.85 -1.26 -4.27 115.26 113.69 2e9h n ASN 45 Ca -0.04 -2.62 -0.15 0.00 -0.11 0.00 0.00 54.58 51.65 2e9h n ASN 45 Cb 0.06 -1.28 -0.09 0.00 1.24 0.00 0.00 39.78 39.71 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 2.34 0.00 -0.30 1.20 4.05 -1.85 -3.25 114.93 117.13 2e9h h MET 46 Ca 0.18 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.47 2e9h h MET 46 Cb 1.21 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2e9h h MET 46 CO 0.31 0.75 -0.34 0.28 0.23 0.00 0.00 176.91 178.14 2e9h h VAL 47 N -1.00 1.29 0.14 -5.77 2.07 -1.85 -2.66 116.25 108.48 2e9h h VAL 47 Ca -0.19 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 2e9h h VAL 47 Cb 1.00 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2e9h h VAL 47 CO -0.11 0.48 -0.07 -0.78 0.02 0.00 0.00 177.57 177.11 2e9h h ASP 48 N 0.56 -0.16 -0.98 0.57 3.58 -1.84 -0.47 116.42 117.68 2e9h h ASP 48 Ca 0.06 0.01 0.26 0.00 0.42 0.00 0.00 57.03 57.77 2e9h h ASP 48 Cb 0.86 0.04 -0.13 0.00 1.72 0.00 0.00 39.33 41.82 2e9h h ASP 48 CO 0.07 -0.12 0.54 -0.37 -2.88 0.00 0.00 179.24 176.49 2e9h h VAL 49 N -0.19 0.46 0.55 2.25 -1.51 -1.66 -0.85 116.25 115.29 2e9h h VAL 49 Ca -0.02 -0.16 -0.03 0.00 -1.23 0.00 0.00 66.70 65.26 2e9h h VAL 49 Cb 0.15 -0.06 0.01 0.00 -2.13 0.00 0.00 31.29 29.26 2e9h h VAL 49 CO 0.03 0.09 -0.26 0.00 -1.23 0.00 0.00 177.57 176.20 2e9h h ALA 50 N 1.76 -0.74 -0.92 5.19 0.00 -1.37 -2.76 119.26 120.43 2e9h h ALA 50 Ca 0.65 -0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.66 2e9h h ALA 50 Cb 1.31 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 19.24 2e9h h ALA 50 CO -0.52 -0.91 0.35 0.87 0.00 0.00 0.00 179.25 179.04 2e9h h LYS 51 N -0.74 0.26 -0.69 0.00 1.57 0.38 0.69 116.57 118.04 2e9h h LYS 51 Ca -0.08 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2e9h h LYS 51 Cb 0.57 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2e9h h LYS 51 CO 0.12 0.17 0.45 0.00 -0.57 0.00 0.00 179.45 179.63 2e9h h ALA 52 N 1.80 1.60 -0.22 3.86 0.00 -1.19 0.13 119.26 125.23 2e9h h ALA 52 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2e9h h ALA 52 Cb 1.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2e9h h ALA 52 CO -0.63 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.24 2e9h n LEU 53 N -4.45 2.43 -2.12 0.00 4.77 0.24 -4.86 117.00 113.00 2e9h n LEU 53 Ca 0.08 -1.23 -0.07 0.00 -0.03 0.00 0.00 56.01 54.77 2e9h n LEU 53 Cb 0.12 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 2e9h n LEU 53 CO 0.35 0.38 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.51 2e9h n ASN 54 N 0.24 -2.33 -4.08 -1.43 5.15 0.03 -4.89 115.26 107.95 2e9h n ASN 54 Ca 0.10 0.29 -0.13 0.00 -0.60 0.00 0.00 54.58 54.23 2e9h n ASN 54 Cb 0.51 -2.14 -0.11 0.00 -0.53 0.00 0.00 39.78 37.50 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 -4.35 0.59 0.50 1.20 0.52 -1.09 -5.02 118.95 111.29 2e9h s ARG 55 Ca 0.00 -0.83 -0.21 0.00 -0.52 0.00 0.00 55.73 54.17 2e9h s ARG 55 Cb 0.00 -0.34 -0.07 0.00 0.52 0.00 0.00 34.95 35.06 2e9h s ARG 55 CO 0.00 0.06 1.15 -1.25 0.02 0.00 0.00 175.30 175.28 2e9h s PRO 56 N -1.79 3.56 0.00 3.54 0.04 -1.26 -3.70 135.00 135.39 2e9h s PRO 56 Ca -0.07 1.69 0.14 0.00 0.04 0.00 0.00 61.00 62.80 2e9h s PRO 56 Cb -0.09 -2.21 0.66 0.00 0.04 0.00 0.00 34.50 32.90 2e9h s PRO 56 CO 0.00 -0.70 1.43 -0.35 0.04 0.00 0.00 177.00 177.43 2e9h n PRO 57 N -0.89 0.08 0.17 0.56 -0.04 -1.26 -2.70 135.00 130.91 2e9h n PRO 57 Ca 0.09 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.78 2e9h n PRO 57 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.32 0.37 0.52 1.35 -1.95 0.55 112.91 115.07 2e9h h THR 58 Ca 0.00 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 2e9h h THR 58 Cb 0.20 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 2e9h h THR 58 CO 0.00 0.44 -0.18 1.88 -0.25 0.00 0.00 175.52 177.42 2e9h h TYR 59 N 0.00 -0.46 -0.02 4.73 0.05 -1.91 -3.06 116.97 116.30 2e9h h TYR 59 Ca -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 0.81 0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.70 2e9h h TYR 59 CO 0.00 -0.12 -0.02 -1.00 -1.05 0.00 0.00 178.16 175.97 2e9h h PRO 60 N -0.89 0.04 -0.80 4.88 0.13 -1.73 -3.18 132.00 130.45 2e9h h PRO 60 Ca -0.05 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.20 2e9h h PRO 60 Cb 0.54 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.52 2e9h h PRO 60 CO 0.08 0.52 -0.28 1.15 -0.23 0.00 0.00 178.00 179.24 2e9h h THR 61 N -0.43 0.13 -0.63 1.56 2.02 -1.01 0.73 112.91 115.28 2e9h h THR 61 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2e9h h THR 61 Cb 0.51 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2e9h h THR 61 CO 0.00 0.00 0.42 0.50 0.37 0.00 0.00 175.52 176.81 2e9h h LYS 62 N -0.05 0.66 0.50 6.66 1.63 -1.60 -2.82 116.57 121.55 2e9h h LYS 62 Ca 0.34 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 2e9h h LYS 62 Cb 0.59 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2e9h h LYS 62 CO -0.84 0.44 -0.47 -0.92 -3.45 0.00 0.00 179.45 174.21 2e9h h TYR 63 N 0.68 -1.29 -0.66 1.91 3.20 0.50 -0.47 116.97 120.84 2e9h h TYR 63 Ca 0.27 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.24 2e9h h TYR 63 Cb 0.19 0.50 -0.12 0.00 1.54 0.00 0.00 36.73 38.84 2e9h h TYR 63 CO -0.00 -0.64 -0.41 0.74 -1.64 0.00 0.00 178.16 176.21 2e9h h PHE 64 N -0.96 -1.19 -0.96 -3.82 0.04 -1.21 0.20 116.94 109.04 2e9h h PHE 64 Ca -0.06 0.08 0.06 0.00 2.80 0.00 0.00 57.97 60.86 2e9h h PHE 64 Cb 0.84 0.61 -0.06 0.00 2.20 0.00 0.00 35.95 39.54 2e9h h PHE 64 CO -0.23 -0.41 0.63 0.78 -0.60 0.00 0.00 178.31 178.48 2e9h h GLY 65 N -0.17 1.43 0.91 -1.45 0.00 -1.46 0.13 103.07 102.46 2e9h h GLY 65 Ca 0.22 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 2e9h h GLY 65 CO -0.74 0.34 -0.48 0.00 0.00 0.00 0.00 176.54 175.66 2e9h h GLU 67 N -1.25 1.12 0.00 0.00 5.08 -1.02 -1.79 114.58 116.72 2e9h h GLU 67 Ca -0.12 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2e9h h GLU 67 Cb 0.98 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2e9h h GLU 67 CO 0.16 0.80 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.52 2e9h h LEU 68 N 1.13 0.00 0.08 1.33 3.38 -0.57 -3.47 115.31 117.19 2e9h h LEU 68 Ca 0.29 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 2e9h h LEU 68 Cb -0.01 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.77 2e9h h LEU 68 CO -0.05 0.38 -0.28 0.61 0.09 0.00 0.00 178.44 179.18 2e9h n GLY 69 N 0.30 0.14 3.53 0.83 0.00 0.36 -5.03 105.19 105.31 2e9h n GLY 69 Ca -0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h s ALA 70 N -2.85 2.99 0.54 4.61 0.00 -0.75 -5.04 121.76 121.26 2e9h s ALA 70 Ca 0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2e9h s ALA 70 Cb -0.07 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 2e9h s ALA 70 CO 0.19 -0.33 0.83 -0.65 0.00 0.00 0.00 175.76 175.80 2e9h s GLN 71 N -3.70 3.06 0.06 0.00 -0.21 -1.26 -4.64 119.66 112.97 2e9h s GLN 71 Ca 0.23 -0.07 -0.04 0.00 0.02 0.00 0.00 55.36 55.50 2e9h s GLN 71 Cb 0.02 -2.35 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 2e9h s GLN 71 CO 0.14 -0.52 0.05 0.95 -2.12 0.00 0.00 175.29 173.79 2e9h s THR 72 N -2.86 0.19 -0.14 -0.19 -4.23 -1.26 -1.39 115.64 105.77 2e9h s THR 72 Ca 0.52 -1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2e9h s THR 72 Cb -0.10 -1.44 -0.03 0.00 1.34 0.00 0.00 72.50 72.27 2e9h s THR 72 CO 0.44 -0.86 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.05 2e9h s GLN 73 N -3.87 3.47 -0.31 3.99 2.00 0.29 -4.98 119.66 120.25 2e9h s GLN 73 Ca 0.06 -0.49 0.03 0.00 -2.00 0.00 0.00 55.36 52.96 2e9h s GLN 73 Cb 0.07 -2.88 0.09 0.00 0.80 0.00 0.00 33.01 31.08 2e9h s GLN 73 CO -0.10 0.37 0.00 -0.06 -0.50 0.00 0.00 175.29 175.00 2e9h s PHE 74 N 0.01 3.46 -0.52 1.67 0.40 -1.26 -2.88 117.98 118.86 2e9h s PHE 74 Ca 0.01 -2.69 0.03 0.00 -0.60 0.00 0.00 56.93 53.68 2e9h s PHE 74 Cb -0.13 -2.52 0.15 0.00 0.51 0.00 0.00 43.02 41.03 2e9h s PHE 74 CO 0.02 -0.92 0.33 -0.51 0.70 0.00 0.00 175.22 174.85 2e9h s ASP 75 N 1.02 3.58 0.30 1.36 1.11 -1.11 -4.95 116.67 117.98 2e9h s ASP 75 Ca 0.04 -3.10 -0.00 0.00 0.18 0.00 0.00 52.55 49.68 2e9h s ASP 75 Cb -0.19 -1.13 0.46 0.00 1.07 0.00 0.00 42.92 43.13 2e9h s ASP 75 CO -0.08 -0.19 1.86 0.58 1.18 0.00 0.00 175.17 178.52 2e9h h VAL 76 N 4.90 1.21 -0.88 -1.27 2.07 -1.95 -1.10 116.25 119.23 2e9h h VAL 76 Ca 0.09 -0.71 0.17 0.00 0.82 0.00 0.00 66.70 67.06 2e9h h VAL 76 Cb 0.87 0.61 -0.16 0.00 -1.52 0.00 0.00 31.29 31.09 2e9h h VAL 76 CO 0.54 0.27 -0.26 0.50 0.02 0.00 0.00 177.57 178.65 2e9h h LYS 77 N 0.79 -0.01 -0.34 1.57 1.63 -1.96 0.32 116.57 118.56 2e9h h LYS 77 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2e9h h LYS 77 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2e9h h LYS 77 CO -0.01 -0.01 0.00 0.09 -3.45 0.00 0.00 179.45 176.07 2e9h n ASN 78 N -5.55 4.37 -4.27 4.20 3.02 -1.13 -4.96 115.26 110.95 2e9h n ASN 78 Ca 0.12 -2.99 -0.31 0.00 -0.03 0.00 0.00 54.58 51.37 2e9h n ASN 78 Cb 0.43 -0.58 -0.09 0.00 -0.61 0.00 0.00 39.78 38.93 2e9h n ASN 78 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2e9h n ASP 79 N -0.21 0.48 -4.17 6.41 5.68 0.11 -4.91 116.55 119.94 2e9h n ASP 79 Ca 0.23 -1.22 -0.32 0.00 -0.50 0.00 0.00 54.79 52.98 2e9h n ASP 79 Cb 0.97 -1.52 -0.17 0.00 -1.14 0.00 0.00 41.12 39.27 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2e9h s ARG 80 N -7.16 2.99 -0.12 0.11 1.70 -0.52 -4.83 118.95 111.12 2e9h s ARG 80 Ca 0.13 -0.85 0.03 0.00 -0.47 0.00 0.00 55.73 54.57 2e9h s ARG 80 Cb -0.08 -2.39 0.01 0.00 -0.57 0.00 0.00 34.95 31.92 2e9h s ARG 80 CO 0.96 0.02 -0.22 0.71 -1.08 0.00 0.00 175.30 175.69 2e9h s TYR 81 N 0.73 2.58 0.15 5.89 1.51 -1.26 -2.73 117.35 124.22 2e9h s TYR 81 Ca -0.09 -1.22 0.10 0.00 -1.01 0.00 0.00 57.07 54.86 2e9h s TYR 81 Cb -0.16 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 2e9h s TYR 81 CO 0.00 -0.54 -0.22 0.42 -1.11 0.00 0.00 175.55 174.10 2e9h s ILE 82 N 0.66 2.51 -0.08 2.71 1.01 -1.14 -2.72 121.20 124.15 2e9h s ILE 82 Ca -0.11 -1.76 0.02 0.00 0.00 0.00 0.00 60.65 58.80 2e9h s ILE 82 Cb -0.16 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.16 2e9h s ILE 82 CO 0.02 0.02 -0.13 -0.69 0.00 0.00 0.00 174.94 174.16 2e9h s VAL 83 N -1.31 1.23 0.27 2.92 1.01 -0.08 -0.55 120.40 123.89 2e9h s VAL 83 Ca 0.18 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2e9h s VAL 83 Cb -0.09 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.07 2e9h s VAL 83 CO 0.09 0.38 1.23 0.20 0.00 0.00 0.00 175.10 177.00 2e9h s ASN 84 N 0.75 6.99 0.00 3.32 -0.87 -0.48 -1.41 114.94 123.24 2e9h s ASN 84 Ca -0.13 2.44 0.00 0.00 -1.57 0.00 0.00 52.86 53.61 2e9h s ASN 84 Cb -0.16 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.44 2e9h s ASN 84 CO 0.03 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.78 2e9h n GLY 85 N 1.42 1.86 3.72 0.66 0.00 -1.23 -4.71 105.19 106.90 2e9h n GLY 85 Ca 0.01 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.25 7.11 -0.16 1.61 1.04 -1.25 -2.70 113.70 119.10 2e9h s SER 86 Ca 0.00 1.34 -0.12 0.00 0.48 0.00 0.00 55.95 57.65 2e9h s SER 86 Cb 0.00 -2.46 0.05 0.00 0.10 0.00 0.00 66.02 63.71 2e9h s SER 86 CO 0.00 -0.15 0.41 -1.00 0.98 0.00 0.00 173.24 173.48 2e9h s HIS 87 N 0.83 -0.52 0.31 5.02 3.76 -1.26 -5.00 115.29 118.43 2e9h s HIS 87 Ca 0.42 1.18 -0.16 0.00 -0.15 0.00 0.00 55.06 56.36 2e9h s HIS 87 Cb -0.19 0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.61 2e9h s HIS 87 CO 0.21 -0.27 0.74 -1.83 -0.85 0.00 0.00 174.74 172.74 2e9h s GLU 88 N 0.72 4.03 0.16 1.40 1.03 -1.26 -4.84 118.70 119.94 2e9h s GLU 88 Ca -0.04 0.70 -0.15 0.00 0.03 0.00 0.00 54.97 55.51 2e9h s GLU 88 Cb -0.05 -2.48 0.08 0.00 -0.80 0.00 0.00 34.13 30.88 2e9h s GLU 88 CO -0.05 0.18 1.77 0.00 -1.33 0.00 0.00 175.26 175.83 2e9h h ALA 89 N 2.38 0.50 -0.86 -0.84 0.00 -1.94 -2.32 119.26 116.18 2e9h h ALA 89 Ca -0.48 0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.68 2e9h h ALA 89 Cb 1.18 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 2e9h h ALA 89 CO 0.65 -0.18 0.15 -0.91 0.00 0.00 0.00 179.25 178.96 2e9h h ASN 90 N 0.39 -0.15 0.74 0.00 2.35 -1.94 -1.50 115.58 115.47 2e9h h ASN 90 Ca 0.18 0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 56.10 2e9h h ASN 90 Cb 0.11 0.31 0.01 0.00 0.05 0.00 0.00 38.32 38.80 2e9h h ASN 90 CO -0.14 -0.19 -0.36 0.50 -1.65 0.00 0.00 177.43 175.60 2e9h h LYS 91 N 0.15 -0.96 -0.91 0.81 3.64 -1.83 -2.94 116.57 114.53 2e9h h LYS 91 Ca 0.52 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 60.12 2e9h h LYS 91 Cb 1.03 0.22 -0.16 0.00 -0.41 0.00 0.00 32.23 32.91 2e9h h LYS 91 CO -0.69 -0.64 -0.31 1.28 -2.27 0.00 0.00 179.45 176.82 2e9h n LEU 92 N -5.28 -0.50 -0.35 5.20 4.77 -0.69 0.18 117.00 120.32 2e9h n LEU 92 Ca -0.12 1.59 0.09 0.00 -0.03 0.00 0.00 56.01 57.53 2e9h n LEU 92 Cb 0.39 -0.40 0.27 0.00 -2.33 0.00 0.00 43.42 41.34 2e9h n LEU 92 CO 0.30 -1.46 1.23 -0.61 -1.33 0.00 0.00 177.39 175.52 2e9h h GLN 93 N 0.00 0.91 -0.28 3.23 5.75 -1.31 0.33 115.11 123.73 2e9h h GLN 93 Ca 0.36 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.75 2e9h h GLN 93 Cb 0.59 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2e9h h GLN 93 CO -0.92 0.60 -0.04 0.22 -2.65 0.00 0.00 178.83 176.04 2e9h h ASP 94 N 0.93 0.51 0.58 -0.69 1.82 0.20 -3.02 116.42 116.75 2e9h h ASP 94 Ca 0.51 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2e9h h ASP 94 Cb 0.57 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.45 2e9h h ASP 94 CO -0.28 0.74 -0.28 0.24 -1.61 0.00 0.00 179.24 178.05 2e9h h MET 95 N 0.28 -0.75 -1.29 0.28 0.00 -0.02 -3.11 114.93 110.33 2e9h h MET 95 Ca 0.07 0.05 0.44 0.00 0.00 0.00 0.00 59.70 60.27 2e9h h MET 95 Cb 0.50 0.17 -0.12 0.00 0.00 0.00 0.00 31.60 32.14 2e9h h MET 95 CO 0.02 -0.50 0.83 -0.11 0.00 0.00 0.00 176.91 177.16 2e9h n LEU 96 N -4.97 0.18 -0.19 1.22 7.94 0.11 -1.00 117.00 120.29 2e9h n LEU 96 Ca -0.10 1.24 -0.06 0.00 -1.11 0.00 0.00 56.01 55.99 2e9h n LEU 96 Cb 0.31 -0.61 -0.05 0.00 0.53 0.00 0.00 43.42 43.59 2e9h n LEU 96 CO 0.23 -1.35 0.49 -0.78 -1.11 0.00 0.00 177.39 174.88 2e9h h ASP 97 N 0.00 -1.07 -0.78 1.96 3.58 -1.45 0.19 116.42 118.86 2e9h h ASP 97 Ca 0.81 0.16 0.25 0.00 0.42 0.00 0.00 57.03 58.66 2e9h h ASP 97 Cb 2.64 0.47 -0.14 0.00 1.72 0.00 0.00 39.33 44.01 2e9h h ASP 97 CO -0.40 -0.13 0.14 0.61 -2.88 0.00 0.00 179.24 176.58 2e9h n GLY 98 N -1.14 -0.92 0.16 -0.78 0.00 -0.17 0.32 105.19 102.66 2e9h n GLY 98 Ca 0.01 0.72 -0.06 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.37 0.00 1.61 3.57 -0.77 -2.65 116.94 118.34 2e9h h PHE 99 Ca 0.53 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.02 2e9h h PHE 99 Cb 1.22 0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2e9h h PHE 99 CO -0.28 -0.23 0.12 0.82 -2.23 0.00 0.00 178.31 176.51 2e9h h ILE 100 N -0.41 0.00 -0.13 1.41 2.04 -0.66 0.57 117.51 120.33 2e9h h ILE 100 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2e9h h ILE 100 Cb 0.30 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2e9h h ILE 100 CO 0.07 0.00 -0.19 0.50 0.00 0.00 0.00 178.15 178.53 2e9h h LYS 101 N 0.00 0.22 0.00 2.37 1.63 0.24 0.12 116.57 121.15 2e9h h LYS 101 Ca 0.00 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2e9h h LYS 101 Cb 0.24 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2e9h h LYS 101 CO 0.00 0.41 -0.15 0.36 -3.45 0.00 0.00 179.45 176.62 2e9h n LYS 102 N -4.23 0.00 0.04 1.90 2.85 -0.10 -4.18 118.16 114.45 2e9h n LYS 102 Ca -0.01 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.44 2e9h n LYS 102 Cb 0.31 -0.17 0.48 0.00 -0.65 0.00 0.00 35.03 34.99 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 -3.09 116.94 118.25 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 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2e9h h PHE 103 CO 0.00 0.00 -0.41 0.28 -1.61 0.00 0.00 178.31 176.57 2e9h n VAL 104 N -3.16 0.53 -1.30 -0.55 0.31 -1.21 -4.93 118.33 108.02 2e9h n VAL 104 Ca 0.11 0.18 -0.30 0.00 -0.01 0.00 0.00 64.34 64.32 2e9h n VAL 104 Cb 1.05 -1.38 0.21 0.00 -0.91 0.00 0.00 33.84 32.82 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 -6.43 1.30 -0.06 7.52 1.43 0.42 -4.20 118.68 118.67 2e9h s LEU 105 Ca 0.00 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.79 2e9h s LEU 105 Cb 0.00 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 2e9h s LEU 105 CO 0.00 -3.61 -0.23 0.00 0.23 0.00 0.00 176.35 172.73 2e9h n PRO 107 N 3.05 0.49 0.01 0.00 -0.04 -1.26 0.26 135.00 137.50 2e9h n PRO 107 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.26 2e9h n PRO 107 Cb 0.52 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.82 0.15 -0.07 0.54 -0.58 -1.26 -4.86 120.64 113.74 2e9h n GLU 108 Ca 0.08 0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.81 2e9h n GLU 108 Cb 0.03 -0.73 -0.15 0.00 -0.57 0.00 0.00 31.44 30.03 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 -2.74 -2.13 -4.05 0.00 2.13 0.14 -4.91 120.64 109.09 2e9h n GLU 110 Ca -0.25 0.24 -0.36 0.00 0.66 0.00 0.00 57.16 57.45 2e9h n GLU 110 Cb 1.04 -3.51 -0.08 0.00 0.27 0.00 0.00 31.44 29.17 2e9h n GLU 110 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2e9h s ASN 111 N -3.06 5.91 0.00 4.31 -0.87 -1.26 -4.54 114.94 115.43 2e9h s ASN 111 Ca 0.15 0.30 0.15 0.00 -1.57 0.00 0.00 52.86 51.90 2e9h s ASN 111 Cb -0.07 -1.86 0.85 0.00 -0.02 0.00 0.00 41.25 40.15 2e9h s ASN 111 CO 0.19 0.36 1.37 -0.81 -2.57 0.00 0.00 177.10 175.64 2e9h n PRO 112 N 2.30 0.36 -3.21 -0.60 -0.04 -1.26 -3.30 135.00 129.24 2e9h n PRO 112 Ca -0.19 0.07 -0.46 0.00 -0.04 0.00 0.00 63.50 62.88 2e9h n PRO 112 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.26 3.65 0.34 0.54 2.02 -1.26 -4.77 118.70 116.97 2e9h s GLU 113 Ca 0.19 -2.33 0.06 0.00 0.02 0.00 0.00 54.97 52.92 2e9h s GLU 113 Cb 0.10 -4.58 -0.02 0.00 0.10 0.00 0.00 34.13 29.73 2e9h s GLU 113 CO 0.20 -1.43 0.32 0.95 0.02 0.00 0.00 175.26 175.32 2e9h s THR 114 N 0.78 0.00 0.02 3.63 -4.23 -1.26 -4.49 115.64 110.09 2e9h s THR 114 Ca 0.23 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 2e9h s THR 114 Cb -0.08 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 2e9h s THR 114 CO -0.09 0.00 -0.04 -1.81 -0.54 0.00 0.00 174.62 172.14 2e9h s ASP 115 N -3.37 0.44 -0.07 3.99 1.11 -1.04 -5.04 116.67 112.70 2e9h s ASP 115 Ca 0.39 -0.36 0.02 0.00 0.18 0.00 0.00 52.55 52.78 2e9h s ASP 115 Cb 0.02 0.04 -0.02 0.00 1.07 0.00 0.00 42.92 44.02 2e9h s ASP 115 CO 0.28 -0.16 -0.12 -0.76 1.18 0.00 0.00 175.17 175.58 2e9h s LEU 116 N -1.02 2.83 -0.20 1.23 1.43 -1.26 -1.01 118.68 120.67 2e9h s LEU 116 Ca -0.08 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2e9h s LEU 116 Cb -0.07 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2e9h s LEU 116 CO -0.00 0.31 -0.16 -1.00 0.23 0.00 0.00 176.35 175.73 2e9h s HIS 117 N -0.52 2.91 -0.17 0.29 3.76 0.43 -4.96 115.29 117.02 2e9h s HIS 117 Ca 0.07 -1.71 -0.11 0.00 -0.15 0.00 0.00 55.06 53.16 2e9h s HIS 117 Cb -0.12 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 2e9h s HIS 117 CO 0.02 -0.80 0.21 0.54 -0.85 0.00 0.00 174.74 173.86 2e9h s VAL 118 N 1.27 5.36 -0.29 -0.90 0.11 -1.26 -1.18 120.40 123.51 2e9h s VAL 118 Ca 0.02 0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 2e9h s VAL 118 Cb -0.15 -3.54 0.05 0.00 -1.53 0.00 0.00 36.38 31.21 2e9h s VAL 118 CO -0.10 0.44 -0.02 0.20 -3.33 0.00 0.00 175.10 172.29 2e9h s ASN 119 N 0.26 4.82 0.12 3.54 0.01 -1.12 -4.99 114.94 117.58 2e9h s ASN 119 Ca 0.12 -1.27 -0.13 0.00 -0.71 0.00 0.00 52.86 50.87 2e9h s ASN 119 Cb -0.12 -1.69 -0.07 0.00 0.41 0.00 0.00 41.25 39.78 2e9h s ASN 119 CO 0.01 -0.25 1.44 1.55 -1.51 0.00 0.00 177.10 178.35 2e9h h PRO 120 N 7.97 0.80 -0.02 -0.60 0.13 -1.89 0.55 132.00 138.93 2e9h h PRO 120 Ca -0.21 -0.42 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 2e9h h PRO 120 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2e9h h PRO 120 CO 0.52 1.05 -0.05 0.87 -0.23 0.00 0.00 178.00 180.17 2e9h h LYS 121 N 0.57 0.06 0.00 0.86 1.57 -1.98 -3.18 116.57 114.47 2e9h h LYS 121 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2e9h h LYS 121 Cb 0.90 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2e9h h LYS 121 CO 0.08 0.66 0.00 0.87 -0.57 0.00 0.00 179.45 180.49 2e9h h LYS 122 N -0.52 0.00 -6.48 3.15 1.79 -1.99 -3.47 116.57 109.06 2e9h h LYS 122 Ca -0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2e9h h LYS 122 Cb 0.66 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.23 2e9h h LYS 122 CO 0.01 0.00 -0.84 1.04 -1.08 0.00 0.00 179.45 178.58 2e9h n GLN 123 N -2.37 -3.86 -3.83 3.15 1.13 0.19 -4.96 117.38 106.83 2e9h n GLN 123 Ca 0.04 0.46 -0.12 0.00 -1.94 0.00 0.00 57.00 55.44 2e9h n GLN 123 Cb 0.39 -4.93 -0.14 0.00 0.11 0.00 0.00 30.24 25.68 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 -3.63 -0.01 -0.17 5.09 -4.23 -1.10 -5.00 115.64 106.59 2e9h s THR 124 Ca 0.31 0.03 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 2e9h s THR 124 Cb -0.17 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 2e9h s THR 124 CO 0.88 0.01 0.48 -0.63 -0.54 0.00 0.00 174.62 174.82 2e9h s ILE 125 N 0.20 5.15 -0.12 2.99 1.01 -1.26 -2.81 121.20 126.37 2e9h s ILE 125 Ca -0.01 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.55 2e9h s ILE 125 Cb -0.02 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2e9h s ILE 125 CO -0.01 0.25 -0.10 -0.83 0.00 0.00 0.00 174.94 174.25 2e9h s GLY 126 N 0.92 0.90 0.07 6.18 0.00 -0.32 -0.95 107.32 114.12 2e9h s GLY 126 Ca 0.24 -0.63 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 2e9h s GLY 126 CO 0.09 0.67 0.42 0.54 0.00 0.00 0.00 173.10 174.83 2e9h s ASN 127 N 1.56 6.70 -0.13 1.64 4.22 -1.18 -0.43 114.94 127.33 2e9h s ASN 127 Ca 0.03 0.87 -0.01 0.00 -2.14 0.00 0.00 52.86 51.61 2e9h s ASN 127 Cb -0.13 -2.21 0.03 0.00 1.28 0.00 0.00 41.25 40.22 2e9h s ASN 127 CO -0.08 0.20 -0.05 -0.94 -2.04 0.00 0.00 177.10 174.19 2e9h s SER 128 N -1.60 2.30 0.04 3.54 1.04 -0.18 -2.90 113.70 115.94 2e9h s SER 128 Ca 0.31 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 2e9h s SER 128 Cb -0.15 -0.77 -0.05 0.00 0.10 0.00 0.00 66.02 65.16 2e9h s SER 128 CO 0.17 -0.16 0.26 0.00 0.98 0.00 0.00 173.24 174.49 2e9h n LYS 130 N 0.75 0.44 -0.40 0.00 5.02 -1.26 -2.99 118.16 119.72 2e9h n LYS 130 Ca -0.08 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 2e9h n LYS 130 Cb 0.52 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.02 -0.31 0.00 7.82 0.00 -1.95 -3.25 119.26 121.55 2e9h h ALA 131 Ca -0.40 0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.43 2e9h h ALA 131 Cb 1.61 1.25 -0.05 0.00 0.00 0.00 0.00 17.79 20.60 2e9h h ALA 131 CO -0.07 -0.85 -1.95 0.00 0.00 0.00 0.00 179.25 176.37 2e9h n GLY 133 N 2.69 0.64 3.45 0.00 0.00 -1.20 -5.12 105.19 105.65 2e9h n GLY 133 Ca -0.30 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 3.07 -0.12 1.61 6.14 -1.16 -4.91 117.35 121.00 2e9h s TYR 134 Ca 0.00 -0.44 -0.00 0.00 0.64 0.00 0.00 57.07 57.27 2e9h s TYR 134 Cb 0.00 -2.17 0.03 0.00 0.42 0.00 0.00 41.96 40.24 2e9h s TYR 134 CO 0.00 -0.30 -0.08 1.03 0.64 0.00 0.00 175.55 176.85 2e9h s ARG 135 N 1.32 1.53 0.00 4.97 3.00 -1.26 -0.41 118.95 128.09 2e9h s ARG 135 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 55.73 55.50 2e9h s ARG 135 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 34.95 33.18 2e9h s ARG 135 CO 0.02 -0.28 0.00 0.41 0.00 0.00 0.00 175.30 175.45 2e9h n GLY 136 N 4.94 3.06 3.16 -3.53 0.00 -1.14 -5.06 105.19 106.62 2e9h n GLY 136 Ca -0.12 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 1.26 2.93 0.23 1.61 0.23 -1.26 -3.07 119.30 121.23 2e9h s MET 137 Ca 0.00 -0.89 -0.30 0.00 -1.03 0.00 0.00 55.69 53.46 2e9h s MET 137 Cb 0.00 -2.78 -0.10 0.00 -1.53 0.00 0.00 34.83 30.42 2e9h s MET 137 CO 0.00 -0.30 1.51 -0.51 -2.03 0.00 0.00 175.02 173.69 2e9h s LEU 138 N 1.31 4.37 -0.46 0.18 1.43 -0.13 -4.81 118.68 120.57 2e9h s LEU 138 Ca 0.02 2.71 -0.42 0.00 -1.03 0.00 0.00 54.13 55.41 2e9h s LEU 138 Cb -0.15 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.28 2e9h s LEU 138 CO -0.08 -0.78 1.78 -0.67 0.23 0.00 0.00 176.35 176.83 2e9h n ASP 139 N 2.79 0.86 -4.56 2.29 2.03 -1.26 -4.68 116.55 114.03 2e9h n ASP 139 Ca 0.09 0.82 -0.25 0.00 0.52 0.00 0.00 54.79 55.97 2e9h n ASP 139 Cb 0.39 -0.83 -0.05 0.00 -0.72 0.00 0.00 41.12 39.92 2e9h n ASP 139 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2e9h s THR 140 N 4.45 3.04 0.89 5.18 -4.23 -1.26 -4.93 115.64 118.78 2e9h s THR 140 Ca 1.06 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.44 2e9h s THR 140 Cb -1.39 -3.10 0.18 0.00 1.34 0.00 0.00 72.50 69.54 2e9h s THR 140 CO 0.67 -0.09 0.41 1.57 -0.54 0.00 0.00 174.62 176.64 2e9h n HIS 141 N 17.08 -2.44 -0.04 3.99 -0.00 -1.26 -4.98 115.22 127.57 2e9h n HIS 141 Ca 0.41 -0.12 -0.02 0.00 0.46 0.00 0.00 57.72 58.45 2e9h n HIS 141 Cb 0.49 -1.13 -0.01 0.00 -0.12 0.00 0.00 29.99 29.22 2e9h n HIS 141 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2e9h h HIS 142 N -2.72 0.00 0.00 1.57 2.76 -2.00 -3.41 115.15 111.35 2e9h h HIS 142 Ca -0.19 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.76 2e9h h HIS 142 Cb 0.63 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 2e9h h HIS 142 CO 0.00 0.00 -1.65 1.17 -1.30 0.00 0.00 177.93 176.15 2e9h n LYS 143 N -3.57 0.55 -0.31 5.26 3.00 -1.26 -4.50 118.16 117.34 2e9h n LYS 143 Ca -0.03 0.30 0.06 0.00 -0.00 0.00 0.00 58.31 58.64 2e9h n LYS 143 Cb 0.13 -1.52 0.14 0.00 0.00 0.00 0.00 35.03 33.78 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2e9h n LEU 144 N -4.38 -0.27 -0.31 3.14 7.94 -1.26 0.12 117.00 121.97 2e9h n LEU 144 Ca -0.33 1.46 0.13 0.00 -1.11 0.00 0.00 56.01 56.17 2e9h n LEU 144 Cb 0.67 -0.46 0.29 0.00 0.53 0.00 0.00 43.42 44.45 2e9h n LEU 144 CO 0.12 -1.42 0.87 0.00 -1.11 0.00 0.00 177.39 175.85 2e9h h THR 146 N 0.10 1.25 0.66 0.00 2.02 0.68 -1.95 112.91 115.67 2e9h h THR 146 Ca 0.57 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2e9h h THR 146 Cb 1.17 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2e9h h THR 146 CO -0.78 0.33 -0.32 0.15 0.37 0.00 0.00 175.52 175.28 2e9h h PHE 147 N 0.84 -0.82 -0.71 3.16 3.57 0.17 -2.12 116.94 121.03 2e9h h PHE 147 Ca 0.19 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.82 2e9h h PHE 147 Cb 0.34 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 39.23 2e9h h PHE 147 CO 0.02 -0.50 -0.00 0.82 -2.23 0.00 0.00 178.31 176.42 2e9h h ILE 148 N -1.21 0.39 0.73 1.41 2.04 -0.55 0.19 117.51 120.51 2e9h h ILE 148 Ca -0.09 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2e9h h ILE 148 Cb 0.70 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2e9h h ILE 148 CO 0.15 0.02 -0.50 -0.07 0.00 0.00 0.00 178.15 177.75 2e9h h LEU 149 N 0.11 -1.29 -0.53 1.44 3.38 -1.37 -2.93 115.31 114.12 2e9h h LEU 149 Ca 0.38 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.53 2e9h h LEU 149 Cb 0.65 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 2e9h h LEU 149 CO -0.62 -0.74 0.02 0.11 0.09 0.00 0.00 178.44 177.30 2e9h h LYS 150 N -1.17 0.14 -4.36 1.13 6.56 -0.66 -3.33 116.57 114.87 2e9h h LYS 150 Ca -0.10 -0.01 -0.72 0.00 -1.06 0.00 0.00 60.65 58.76 2e9h h LYS 150 Cb 0.96 -0.03 -0.29 0.00 -0.57 0.00 0.00 32.23 32.30 2e9h h LYS 150 CO 0.07 0.09 -0.42 -0.80 -2.06 0.00 0.00 179.45 176.32 2e9h s ASN 151 N -5.26 5.68 1.01 0.86 0.01 0.59 -5.09 114.94 112.75 2e9h s ASN 151 Ca -0.13 -1.73 -0.12 0.00 -0.71 0.00 0.00 52.86 50.16 2e9h s ASN 151 Cb 0.17 -2.00 0.20 0.00 0.41 0.00 0.00 41.25 40.02 2e9h s ASN 151 CO 0.73 -0.63 1.09 -2.16 -1.51 0.00 0.00 177.10 174.62 2e9h s PRO 152 N 1.39 0.33 0.51 -0.60 0.04 -1.21 -4.47 135.00 130.99 2e9h s PRO 152 Ca 0.04 0.49 -0.21 0.00 0.04 0.00 0.00 61.00 61.37 2e9h s PRO 152 Cb -0.25 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2e9h s PRO 152 CO 0.01 -2.80 1.14 -1.25 0.04 0.00 0.00 177.00 174.14 2e9h s PRO 153 N -4.96 3.53 -0.01 0.56 0.04 -1.26 -4.99 135.00 127.90 2e9h s PRO 153 Ca 0.66 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2e9h s PRO 153 Cb -0.19 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2e9h s PRO 153 CO 0.58 -0.72 1.07 -2.00 0.04 0.00 0.00 177.00 175.97 2e9h s GLU 154 N -3.03 4.48 -0.24 4.56 2.12 -1.26 -4.93 118.70 120.40 2e9h s GLU 154 Ca 0.69 1.54 -0.01 0.00 0.36 0.00 0.00 54.97 57.55 2e9h s GLU 154 Cb -0.26 -3.46 0.11 0.00 0.26 0.00 0.00 34.13 30.79 2e9h s GLU 154 CO 0.30 -0.20 2.22 -1.71 -0.54 0.00 0.00 175.26 175.33 2e9h n ASN 155 N 4.26 6.13 -0.34 -1.70 4.05 -1.26 -4.65 115.26 121.76 2e9h n ASN 155 Ca 0.08 -2.89 0.19 0.00 0.45 0.00 0.00 54.58 52.41 2e9h n ASN 155 Cb 0.49 -1.12 0.37 0.00 1.23 0.00 0.00 39.78 40.75 2e9h n ASN 155 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 2e9h h SER 156 N 1.65 -0.24 -0.01 1.20 4.64 -2.01 -3.57 113.55 115.20 2e9h h SER 156 Ca 0.23 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2e9h h SER 156 Cb 0.95 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2e9h h SER 156 CO 0.56 -0.37 0.00 -0.90 -0.87 0.00 0.00 176.83 175.25