#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h h SER 2 N 0.00 0.53 -2.48 1.61 4.64 -2.13 -3.46 113.55 112.26 2e9h h SER 2 Ca 0.00 -0.88 -0.53 0.00 -0.47 0.00 0.00 61.79 59.92 2e9h h SER 2 Cb 0.00 -0.17 0.23 0.00 -0.31 0.00 0.00 62.40 62.15 2e9h h SER 2 CO 0.00 1.35 -1.39 -1.54 -0.87 0.00 0.00 176.83 174.39 2e9h n SER 3 N -4.13 -3.96 0.00 4.97 3.41 -1.26 -4.84 113.62 107.81 2e9h n SER 3 Ca -0.13 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2e9h n SER 3 Cb 0.79 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2e9h n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9h n GLY 4 N 2.61 0.67 4.44 5.00 0.00 -1.26 -5.03 105.19 111.62 2e9h n GLY 4 Ca 0.02 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 2e9h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e9h n SER 5 N 0.00 -1.85 -4.56 1.61 2.88 -1.26 -4.81 113.62 105.64 2e9h n SER 5 Ca 0.00 -1.19 -0.41 0.00 -1.33 0.00 0.00 58.87 55.94 2e9h n SER 5 Cb 0.00 -1.90 -0.03 0.00 -0.75 0.00 0.00 64.21 61.53 2e9h n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e9h s SER 6 N -3.40 6.19 0.00 -3.46 0.15 -1.26 -4.84 113.70 107.07 2e9h s SER 6 Ca 0.71 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2e9h s SER 6 Cb -0.41 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 2e9h s SER 6 CO 1.00 -1.79 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2e9h n GLY 7 N 5.33 4.57 2.93 9.45 0.00 -1.26 -5.15 105.19 121.05 2e9h n GLY 7 Ca 0.04 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2e9h n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e9h s MET 8 N -3.77 0.08 0.04 1.61 1.00 -1.26 -5.16 119.30 111.83 2e9h s MET 8 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 55.69 55.93 2e9h s MET 8 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 34.83 34.77 2e9h s MET 8 CO 0.00 -0.06 -0.18 -1.54 0.00 0.00 0.00 175.02 173.24 2e9h s SER 9 N 0.38 3.81 0.43 3.03 1.04 -1.26 -4.34 113.70 116.79 2e9h s SER 9 Ca -0.03 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.07 2e9h s SER 9 Cb -0.04 -0.62 -0.00 0.00 0.10 0.00 0.00 66.02 65.45 2e9h s SER 9 CO -0.01 0.26 0.47 0.68 0.98 0.00 0.00 173.24 175.61 2e9h s VAL 10 N -0.91 2.75 -0.09 5.02 -7.23 -0.85 -4.85 120.40 114.23 2e9h s VAL 10 Ca 0.14 -1.20 -0.35 0.00 -1.81 0.00 0.00 61.98 58.76 2e9h s VAL 10 Cb -0.10 -2.95 -0.12 0.00 0.56 0.00 0.00 36.38 33.76 2e9h s VAL 10 CO 0.05 0.00 1.85 0.59 -0.31 0.00 0.00 175.10 177.28 2e9h n ASN 11 N -1.69 3.35 -0.27 4.85 4.13 -1.26 -2.38 115.26 121.99 2e9h n ASN 11 Ca 0.06 0.99 0.22 0.00 1.68 0.00 0.00 54.58 57.52 2e9h n ASN 11 Cb 0.61 -1.36 0.41 0.00 -1.54 0.00 0.00 39.78 37.90 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 5.01 -0.34 -3.75 2.41 0.31 -1.26 -3.78 118.33 116.93 2e9h n VAL 12 Ca 0.23 1.69 -0.37 0.00 -0.01 0.00 0.00 64.34 65.88 2e9h n VAL 12 Cb 0.28 -2.65 -0.12 0.00 -0.91 0.00 0.00 33.84 30.44 2e9h n VAL 12 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2e9h s ASN 13 N -4.73 5.47 0.10 4.52 2.47 -1.26 -4.91 114.94 116.60 2e9h s ASN 13 Ca -0.08 -0.10 -0.23 0.00 0.42 0.00 0.00 52.86 52.87 2e9h s ASN 13 Cb 0.26 -1.99 -0.12 0.00 -1.45 0.00 0.00 41.25 37.95 2e9h s ASN 13 CO 0.63 -0.01 1.73 0.03 -3.72 0.00 0.00 177.10 175.76 2e9h h ARG 14 N 8.03 -0.04 -1.63 0.43 2.47 -1.93 -2.11 114.38 119.60 2e9h h ARG 14 Ca -0.37 0.00 0.50 0.00 -1.26 0.00 0.00 59.98 58.85 2e9h h ARG 14 Cb 1.18 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 29.41 2e9h h ARG 14 CO 0.59 -0.03 1.13 0.77 0.56 0.00 0.00 179.97 182.99 2e9h h SER 15 N -0.05 0.10 -3.24 7.04 0.02 -1.94 -3.35 113.55 112.13 2e9h h SER 15 Ca 0.02 0.06 -0.62 0.00 -0.84 0.00 0.00 61.79 60.40 2e9h h SER 15 Cb 0.07 0.06 -0.15 0.00 0.14 0.00 0.00 62.40 62.51 2e9h h SER 15 CO -0.04 -0.08 -0.56 0.54 -1.14 0.00 0.00 176.83 175.55 2e9h s VAL 16 N -5.05 4.83 -0.35 2.27 0.11 -0.79 -5.00 120.40 116.42 2e9h s VAL 16 Ca -0.06 -0.02 0.11 0.00 -2.93 0.00 0.00 61.98 59.07 2e9h s VAL 16 Cb 0.28 -3.16 0.45 0.00 -1.53 0.00 0.00 36.38 32.42 2e9h s VAL 16 CO 0.86 0.48 1.10 -0.24 -3.33 0.00 0.00 175.10 173.97 2e9h n SER 17 N 3.31 3.64 -4.76 3.54 2.88 -1.26 -4.70 113.62 116.28 2e9h n SER 17 Ca -0.17 -3.28 -0.22 0.00 -1.33 0.00 0.00 58.87 53.87 2e9h n SER 17 Cb 0.52 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 2e9h n SER 17 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2e9h s ASP 18 N -3.51 5.04 -0.41 -3.46 1.01 -1.26 -5.02 116.67 109.06 2e9h s ASP 18 Ca 0.41 -0.51 0.03 0.00 0.71 0.00 0.00 52.55 53.19 2e9h s ASP 18 Cb 0.40 -1.04 0.54 0.00 1.01 0.00 0.00 42.92 43.84 2e9h s ASP 18 CO -0.06 -0.14 1.82 0.00 0.21 0.00 0.00 175.17 177.00 2e9h n GLN 19 N -1.13 2.12 -0.09 8.23 10.64 -1.26 -4.21 117.38 131.68 2e9h n GLN 19 Ca -0.05 -2.60 -0.13 0.00 -1.83 0.00 0.00 57.00 52.39 2e9h n GLN 19 Cb 0.59 -2.02 -0.08 0.00 -0.86 0.00 0.00 30.24 27.87 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 -0.86 0.00 -1.37 2.61 3.01 -1.26 -5.00 117.46 114.60 2e9h n PHE 20 Ca 0.51 0.00 -0.53 0.00 1.01 0.00 0.00 57.45 58.44 2e9h n PHE 20 Cb 1.38 -0.69 -0.08 0.00 -0.01 0.00 0.00 39.48 40.09 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 -3.07 1.31 0.22 1.38 4.19 -1.26 -4.86 117.16 115.06 2e9h n TYR 21 Ca -0.32 0.91 -0.09 0.00 3.31 0.00 0.00 57.90 61.71 2e9h n TYR 21 Cb 0.83 -1.76 -0.04 0.00 0.49 0.00 0.00 39.34 38.86 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 3.81 -0.54 -7.32 2.98 2.43 -1.97 -3.45 114.38 110.32 2e9h h ARG 22 Ca -0.36 0.04 -0.50 0.00 -0.81 0.00 0.00 59.98 58.35 2e9h h ARG 22 Cb 1.10 0.12 0.14 0.00 -0.42 0.00 0.00 29.97 30.91 2e9h h ARG 22 CO 0.75 -0.36 0.29 0.71 -1.51 0.00 0.00 179.97 179.85 2e9h s TYR 23 N -3.91 2.48 0.10 2.20 1.51 -1.26 -5.07 117.35 113.40 2e9h s TYR 23 Ca -0.08 1.44 -0.07 0.00 -1.01 0.00 0.00 57.07 57.35 2e9h s TYR 23 Cb 0.01 -3.09 -0.01 0.00 -0.11 0.00 0.00 41.96 38.76 2e9h s TYR 23 CO 0.25 -2.02 0.18 0.15 -1.11 0.00 0.00 175.55 173.00 2e9h s LYS 24 N -4.92 0.89 -0.06 -0.62 -0.14 -1.26 -4.20 119.74 109.44 2e9h s LYS 24 Ca 0.62 -1.06 -0.03 0.00 -1.36 0.00 0.00 55.97 54.14 2e9h s LYS 24 Cb -0.17 0.33 0.03 0.00 -1.68 0.00 0.00 37.83 36.34 2e9h s LYS 24 CO 0.56 -0.28 0.14 0.00 -0.76 0.00 0.00 175.35 175.01 2e9h s MET 25 N -3.90 0.11 0.12 1.68 0.23 -1.00 -4.81 119.30 111.72 2e9h s MET 25 Ca 0.09 0.31 -0.31 0.00 -1.03 0.00 0.00 55.69 54.75 2e9h s MET 25 Cb 0.05 -0.10 -0.08 0.00 -1.53 0.00 0.00 34.83 33.17 2e9h s MET 25 CO -0.08 -0.12 1.35 -1.25 -2.03 0.00 0.00 175.02 172.89 2e9h s PRO 26 N 0.83 4.34 0.08 3.16 0.04 -1.26 -2.01 135.00 140.18 2e9h s PRO 26 Ca -0.06 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 62.66 2e9h s PRO 26 Cb -0.08 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 31.06 2e9h s PRO 26 CO -0.04 -0.39 1.57 0.54 0.04 0.00 0.00 177.00 178.72 2e9h n ARG 27 N 3.80 1.83 -2.03 4.56 1.74 -1.26 -4.69 116.66 120.61 2e9h n ARG 27 Ca 0.11 0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 57.45 2e9h n ARG 27 Cb 0.43 -2.41 -0.00 0.00 -1.02 0.00 0.00 32.46 29.46 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 1.44 4.21 0.08 0.55 0.05 -1.26 -4.97 118.68 118.79 2e9h s LEU 28 Ca 0.84 2.68 0.09 0.00 0.05 0.00 0.00 54.13 57.78 2e9h s LEU 28 Cb -0.78 -3.90 -0.04 0.00 -2.05 0.00 0.00 46.19 39.43 2e9h s LEU 28 CO 0.44 -0.87 -0.20 -0.63 -0.55 0.00 0.00 176.35 174.54 2e9h s ILE 29 N -1.25 2.69 0.11 1.48 1.01 -1.26 -4.86 121.20 119.12 2e9h s ILE 29 Ca 0.57 -1.41 0.06 0.00 0.00 0.00 0.00 60.65 59.87 2e9h s ILE 29 Cb -0.39 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2e9h s ILE 29 CO 0.50 0.21 -0.14 0.00 0.00 0.00 0.00 174.94 175.50 2e9h s ALA 30 N -1.02 1.44 -0.10 9.38 0.00 -1.26 -1.98 121.76 128.21 2e9h s ALA 30 Ca 0.16 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2e9h s ALA 30 Cb -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2e9h s ALA 30 CO 0.07 0.12 -0.20 0.21 0.00 0.00 0.00 175.76 175.96 2e9h s LYS 31 N -2.47 2.65 -0.02 0.00 2.20 0.19 -4.90 119.74 117.39 2e9h s LYS 31 Ca 0.07 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 2e9h s LYS 31 Cb -0.06 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.18 2e9h s LYS 31 CO 0.03 0.08 -0.07 0.08 -0.36 0.00 0.00 175.35 175.10 2e9h s VAL 32 N 0.59 0.67 0.05 4.02 1.01 -1.26 -1.55 120.40 123.93 2e9h s VAL 32 Ca -0.14 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2e9h s VAL 32 Cb -0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 2e9h s VAL 32 CO 0.04 0.22 -0.24 -1.61 0.00 0.00 0.00 175.10 173.51 2e9h s GLU 33 N 0.24 1.61 0.49 2.72 2.02 -1.26 -5.03 118.70 119.49 2e9h s GLU 33 Ca -0.03 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2e9h s GLU 33 Cb -0.08 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.38 2e9h s GLU 33 CO 0.00 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.15 2e9h n GLY 34 N 1.77 0.64 3.22 -1.39 0.00 -1.26 -4.12 105.19 104.05 2e9h n GLY 34 Ca -0.17 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.07 2e9h n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9h s LYS 35 N 0.00 0.48 0.00 1.61 -2.85 -1.26 -4.77 119.74 112.95 2e9h s LYS 35 Ca 0.00 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 2e9h s LYS 35 Cb 0.00 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2e9h s LYS 35 CO 0.00 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.40 2e9h n GLY 36 N 5.42 3.28 2.06 0.59 0.00 -1.26 -4.87 105.19 110.41 2e9h n GLY 36 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 0.05 5.53 0.00 1.61 2.85 -1.26 -4.73 115.26 119.31 2e9h n ASN 37 Ca 0.00 -3.75 0.00 0.00 -0.11 0.00 0.00 54.58 50.72 2e9h n ASN 37 Cb 0.00 -0.77 0.00 0.00 1.24 0.00 0.00 39.78 40.25 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2e9h n GLY 38 N -0.96 1.86 3.66 8.20 0.00 -1.26 -5.03 105.19 111.66 2e9h n GLY 38 Ca 0.54 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 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 4.07 -0.06 -0.61 2.07 -1.26 -4.80 121.20 118.60 2e9h s ILE 39 Ca 0.00 1.31 -0.06 0.00 -1.41 0.00 0.00 60.65 60.48 2e9h s ILE 39 Cb 0.00 -3.84 0.02 0.00 0.13 0.00 0.00 42.46 38.76 2e9h s ILE 39 CO 0.00 -0.10 0.18 -1.59 -1.91 0.00 0.00 174.94 171.51 2e9h s LYS 40 N 3.53 0.22 -0.58 3.50 -2.85 -1.26 -3.88 119.74 118.41 2e9h s LYS 40 Ca 0.60 0.22 -0.24 0.00 -1.00 0.00 0.00 55.97 55.56 2e9h s LYS 40 Cb -0.25 0.10 0.05 0.00 -2.06 0.00 0.00 37.83 35.67 2e9h s LYS 40 CO 0.19 -0.03 0.94 0.99 0.10 0.00 0.00 175.35 177.55 2e9h s THR 41 N 0.04 4.38 -0.48 3.79 2.01 -0.19 -4.26 115.64 120.93 2e9h s THR 41 Ca -0.01 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 2e9h s THR 41 Cb -0.01 -4.57 0.07 0.00 0.01 0.00 0.00 72.50 67.99 2e9h s THR 41 CO 0.00 -1.21 0.45 -0.69 -0.69 0.00 0.00 174.62 172.48 2e9h s VAL 42 N 3.96 5.15 -0.95 3.82 1.01 -0.59 -0.78 120.40 132.02 2e9h s VAL 42 Ca 0.28 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 2e9h s VAL 42 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2e9h s VAL 42 CO 0.16 -0.62 1.74 -0.63 0.00 0.00 0.00 175.10 175.75 2e9h s ILE 43 N 1.88 3.64 0.07 2.22 1.01 -1.11 -0.63 121.20 128.27 2e9h s ILE 43 Ca 0.07 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 2e9h s ILE 43 Cb -0.23 -4.44 -0.16 0.00 0.01 0.00 0.00 42.46 37.63 2e9h s ILE 43 CO 0.08 -1.36 1.62 0.58 0.00 0.00 0.00 174.94 175.86 2e9h h VAL 44 N 7.06 0.92 -0.10 2.92 2.07 -1.67 -2.74 116.25 124.70 2e9h h VAL 44 Ca 0.13 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2e9h h VAL 44 Cb 1.01 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2e9h h VAL 44 CO 1.30 0.05 0.09 -3.20 0.02 0.00 0.00 177.57 175.83 2e9h n ASN 45 N -5.13 5.49 0.14 0.57 5.15 -1.22 -4.17 115.26 116.10 2e9h n ASN 45 Ca -0.08 -2.54 -0.24 0.00 -0.60 0.00 0.00 54.58 51.12 2e9h n ASN 45 Cb 0.13 -1.09 -0.15 0.00 -0.53 0.00 0.00 39.78 38.14 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 1.06 0.56 0.02 1.20 1.85 -1.76 -3.19 114.93 114.67 2e9h h MET 46 Ca 0.06 -0.91 -0.00 0.00 -0.61 0.00 0.00 59.70 58.24 2e9h h MET 46 Cb 0.99 0.33 0.00 0.00 0.43 0.00 0.00 31.60 33.35 2e9h h MET 46 CO 0.16 1.43 -0.01 0.28 -0.40 0.00 0.00 176.91 178.38 2e9h h VAL 47 N 0.17 1.47 -0.21 -5.77 2.07 -1.84 -3.00 116.25 109.14 2e9h h VAL 47 Ca -0.24 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 65.76 2e9h h VAL 47 Cb 2.12 2.50 -0.06 0.00 -1.52 0.00 0.00 31.29 34.33 2e9h h VAL 47 CO 0.27 0.39 -0.47 -0.78 0.02 0.00 0.00 177.57 177.00 2e9h h ASP 48 N -0.70 -1.52 -0.53 0.57 3.58 -1.86 -1.59 116.42 114.37 2e9h h ASP 48 Ca -0.00 0.19 0.11 0.00 0.42 0.00 0.00 57.03 57.74 2e9h h ASP 48 Cb 0.66 0.61 -0.10 0.00 1.72 0.00 0.00 39.33 42.22 2e9h h ASP 48 CO 0.00 -0.38 -0.14 -0.37 -2.88 0.00 0.00 179.24 175.47 2e9h h VAL 49 N -0.43 0.45 -0.31 2.25 -1.51 -1.68 -2.34 116.25 112.69 2e9h h VAL 49 Ca 0.04 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.55 2e9h h VAL 49 Cb 0.55 0.45 -0.07 0.00 -2.13 0.00 0.00 31.29 30.10 2e9h h VAL 49 CO -0.43 0.00 -0.48 0.00 -1.23 0.00 0.00 177.57 175.43 2e9h h ALA 50 N 1.51 -0.74 -0.90 5.19 0.00 -1.17 -0.68 119.26 122.47 2e9h h ALA 50 Ca 0.25 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.36 2e9h h ALA 50 Cb 0.40 1.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.07 2e9h h ALA 50 CO -0.55 -0.95 -0.09 0.87 0.00 0.00 0.00 179.25 178.52 2e9h h LYS 51 N -0.37 0.03 -0.83 0.00 6.56 -0.81 0.95 116.57 122.10 2e9h h LYS 51 Ca 0.06 -0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.74 2e9h h LYS 51 Cb 0.52 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.12 2e9h h LYS 51 CO -0.49 0.02 0.54 0.00 -2.06 0.00 0.00 179.45 177.46 2e9h h ALA 52 N 1.88 1.72 -0.24 3.86 0.00 -0.92 0.20 119.26 125.77 2e9h h ALA 52 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2e9h h ALA 52 Cb 0.86 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2e9h h ALA 52 CO -0.86 0.11 0.00 1.28 0.00 0.00 0.00 179.25 179.77 2e9h n LEU 53 N -4.51 2.46 -2.32 0.00 4.77 0.32 -4.86 117.00 112.85 2e9h n LEU 53 Ca 0.14 -1.24 -0.07 0.00 -0.03 0.00 0.00 56.01 54.81 2e9h n LEU 53 Cb 0.32 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2e9h n LEU 53 CO 0.32 0.39 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.48 2e9h n ASN 54 N 0.26 -2.47 -3.96 -1.43 2.85 0.69 -4.89 115.26 106.31 2e9h n ASN 54 Ca 0.10 0.32 -0.09 0.00 -0.11 0.00 0.00 54.58 54.79 2e9h n ASN 54 Cb 0.51 -2.21 -0.11 0.00 1.24 0.00 0.00 39.78 39.21 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2e9h s ARG 55 N -4.73 0.38 0.58 1.20 0.52 -1.03 -5.01 118.95 110.86 2e9h s ARG 55 Ca 0.00 -0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 54.42 2e9h s ARG 55 Cb 0.00 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 2e9h s ARG 55 CO 0.00 -0.07 1.12 -1.25 0.02 0.00 0.00 175.30 175.12 2e9h s PRO 56 N -1.65 3.19 0.38 3.54 0.04 -1.26 -3.56 135.00 135.68 2e9h s PRO 56 Ca -0.14 1.54 0.28 0.00 0.04 0.00 0.00 61.00 62.72 2e9h s PRO 56 Cb -0.08 -1.99 1.16 0.00 0.04 0.00 0.00 34.50 33.63 2e9h s PRO 56 CO -0.01 -0.97 1.83 -1.00 0.04 0.00 0.00 177.00 176.89 2e9h h PRO 57 N 0.83 0.00 0.00 0.56 0.13 -1.89 -2.92 132.00 128.72 2e9h h PRO 57 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2e9h h PRO 57 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2e9h h PRO 57 CO 0.56 0.00 -0.15 1.79 -0.23 0.00 0.00 178.00 179.97 2e9h h THR 58 N 0.00 0.93 0.40 1.56 1.35 -1.94 0.35 112.91 115.57 2e9h h THR 58 Ca 0.00 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 2e9h h THR 58 Cb 0.41 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2e9h h THR 58 CO 0.00 0.14 -0.19 1.88 -0.25 0.00 0.00 175.52 177.10 2e9h h TYR 59 N 0.00 -0.50 0.05 4.73 0.05 -1.91 -3.21 116.97 116.18 2e9h h TYR 59 Ca -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 2e9h h TYR 59 Cb 0.29 0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2e9h h TYR 59 CO 0.00 -0.24 -0.02 -1.00 -1.05 0.00 0.00 178.16 175.85 2e9h h PRO 60 N -1.09 -0.06 -0.99 4.88 0.13 -1.70 -2.99 132.00 130.18 2e9h h PRO 60 Ca -0.06 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.24 2e9h h PRO 60 Cb 0.49 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.47 2e9h h PRO 60 CO 0.09 0.41 -0.38 1.15 -0.23 0.00 0.00 178.00 179.04 2e9h h THR 61 N -0.55 0.00 -0.30 1.56 2.02 -0.46 0.30 112.91 115.48 2e9h h THR 61 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2e9h h THR 61 Cb 0.49 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2e9h h THR 61 CO 0.01 0.00 0.17 0.50 0.37 0.00 0.00 175.52 176.57 2e9h h LYS 62 N -0.00 0.41 -0.93 6.66 3.11 -1.63 -3.07 116.57 121.13 2e9h h LYS 62 Ca 0.36 -0.05 0.12 0.00 -2.81 0.00 0.00 60.65 58.27 2e9h h LYS 62 Cb 0.61 -0.08 -0.14 0.00 -1.00 0.00 0.00 32.23 31.62 2e9h h LYS 62 CO -0.99 0.35 -0.42 0.98 -2.81 0.00 0.00 179.45 176.56 2e9h n TYR 63 N -4.82 -0.11 -0.23 1.91 9.36 0.10 -0.08 117.16 123.29 2e9h n TYR 63 Ca -0.02 1.15 -0.05 0.00 3.32 0.00 0.00 57.90 62.29 2e9h n TYR 63 Cb 0.07 -0.76 -0.00 0.00 -0.63 0.00 0.00 39.34 38.02 2e9h n TYR 63 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2e9h h PHE 64 N 0.00 -1.04 -0.88 2.98 0.04 -1.38 0.80 116.94 117.46 2e9h h PHE 64 Ca 0.27 0.08 0.24 0.00 2.80 0.00 0.00 57.97 61.35 2e9h h PHE 64 Cb 0.50 0.55 -0.15 0.00 2.20 0.00 0.00 35.95 39.05 2e9h h PHE 64 CO -0.86 -0.40 0.17 0.78 -0.60 0.00 0.00 178.31 177.40 2e9h h GLY 65 N -0.16 1.28 0.17 -1.45 0.00 -0.58 0.85 103.07 103.18 2e9h h GLY 65 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2e9h h GLY 65 CO -0.72 -0.39 -0.16 0.00 0.00 0.00 0.00 176.54 175.26 2e9h h GLU 67 N -0.32 0.08 0.00 0.00 5.08 -1.22 0.27 114.58 118.46 2e9h h GLU 67 Ca -0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2e9h h GLU 67 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2e9h h GLU 67 CO -0.01 0.05 -0.20 -0.07 -1.00 0.00 0.00 179.01 177.78 2e9h h LEU 68 N 0.08 0.00 -0.04 1.33 3.38 -0.71 -3.47 115.31 115.87 2e9h h LEU 68 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.03 2e9h h LEU 68 Cb 0.44 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.23 2e9h h LEU 68 CO -0.50 0.20 -0.33 0.61 0.09 0.00 0.00 178.44 178.51 2e9h n GLY 69 N -0.14 0.07 2.41 0.83 0.00 0.65 -5.03 105.19 104.00 2e9h n GLY 69 Ca -0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.03 0.38 -2.78 4.61 0.00 -0.33 -5.01 120.51 114.35 2e9h n ALA 70 Ca -0.04 -1.50 -0.24 0.00 0.00 0.00 0.00 53.44 51.66 2e9h n ALA 70 Cb 0.56 0.95 -0.02 0.00 0.00 0.00 0.00 19.45 20.94 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 -3.15 3.48 0.18 0.00 1.11 -1.26 -4.59 119.66 115.43 2e9h s GLN 71 Ca 0.11 -0.46 0.05 0.00 0.01 0.00 0.00 55.36 55.07 2e9h s GLN 71 Cb 0.01 -2.77 -0.05 0.00 -1.01 0.00 0.00 33.01 29.19 2e9h s GLN 71 CO 0.07 0.29 -0.09 0.95 0.01 0.00 0.00 175.29 176.53 2e9h s THR 72 N -2.10 1.26 -0.10 -0.19 -4.23 -1.26 -2.02 115.64 107.00 2e9h s THR 72 Ca 0.38 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2e9h s THR 72 Cb -0.10 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2e9h s THR 72 CO 0.32 -0.61 -0.22 -1.58 -0.54 0.00 0.00 174.62 171.99 2e9h s GLN 73 N -3.75 2.84 -0.19 3.99 0.74 -1.05 -5.01 119.66 117.23 2e9h s GLN 73 Ca 0.21 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.81 2e9h s GLN 73 Cb 0.03 -2.19 0.01 0.00 1.10 0.00 0.00 33.01 31.96 2e9h s GLN 73 CO 0.04 0.12 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.70 2e9h s PHE 74 N 0.47 2.84 -0.50 1.67 0.08 -1.26 -2.62 117.98 118.66 2e9h s PHE 74 Ca -0.16 -1.39 0.07 0.00 0.12 0.00 0.00 56.93 55.57 2e9h s PHE 74 Cb -0.17 -1.98 0.24 0.00 -0.57 0.00 0.00 43.02 40.53 2e9h s PHE 74 CO 0.06 -0.71 0.58 -3.47 -0.10 0.00 0.00 175.22 171.59 2e9h n ASP 75 N 4.66 1.59 -0.34 1.36 2.03 -1.08 -4.94 116.55 119.82 2e9h n ASP 75 Ca -0.20 -2.97 0.24 0.00 0.52 0.00 0.00 54.79 52.39 2e9h n ASP 75 Cb 0.50 -0.65 0.52 0.00 -0.72 0.00 0.00 41.12 40.77 2e9h n ASP 75 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2e9h h VAL 76 N 2.82 0.47 -0.41 5.18 2.07 -1.94 0.51 116.25 124.94 2e9h h VAL 76 Ca 0.14 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2e9h h VAL 76 Cb 0.80 0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2e9h h VAL 76 CO 0.60 0.07 -0.11 0.11 0.02 0.00 0.00 177.57 178.26 2e9h h LYS 77 N 0.36 -0.01 -0.65 1.57 1.57 -1.96 -1.32 116.57 116.14 2e9h h LYS 77 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2e9h h LYS 77 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2e9h h LYS 77 CO -0.33 -0.01 0.00 0.09 -0.57 0.00 0.00 179.45 178.64 2e9h n ASN 78 N -5.32 3.92 -4.35 0.86 3.02 0.04 -4.95 115.26 108.48 2e9h n ASN 78 Ca 0.03 -2.09 -0.39 0.00 -0.03 0.00 0.00 54.58 52.09 2e9h n ASN 78 Cb 0.23 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 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 1.33 -2.65 -4.40 6.41 5.75 0.16 -4.91 116.55 118.24 2e9h n ASP 79 Ca 0.22 -1.11 -0.34 0.00 -0.01 0.00 0.00 54.79 53.56 2e9h n ASP 79 Cb 0.64 -2.29 -0.13 0.00 -1.03 0.00 0.00 41.12 38.30 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2e9h s ARG 80 N -7.06 3.49 -0.14 0.11 1.70 -1.05 -4.91 118.95 111.09 2e9h s ARG 80 Ca 0.76 -0.60 0.02 0.00 -0.47 0.00 0.00 55.73 55.44 2e9h s ARG 80 Cb -0.43 -2.87 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 2e9h s ARG 80 CO 0.97 0.08 -0.20 0.71 -1.08 0.00 0.00 175.30 175.78 2e9h s TYR 81 N 0.76 2.69 0.25 5.89 1.51 -1.26 -2.64 117.35 124.55 2e9h s TYR 81 Ca -0.03 -1.19 0.11 0.00 -1.01 0.00 0.00 57.07 54.96 2e9h s TYR 81 Cb -0.15 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2e9h s TYR 81 CO 0.02 -0.53 -0.17 0.42 -1.11 0.00 0.00 175.55 174.18 2e9h s ILE 82 N 0.73 2.65 -0.20 2.71 1.01 -1.08 -2.77 121.20 124.26 2e9h s ILE 82 Ca -0.08 -2.17 -0.05 0.00 0.00 0.00 0.00 60.65 58.35 2e9h s ILE 82 Cb -0.16 -2.36 0.07 0.00 0.01 0.00 0.00 42.46 40.02 2e9h s ILE 82 CO 0.00 -0.29 0.10 -0.69 0.00 0.00 0.00 174.94 174.06 2e9h s VAL 83 N -2.18 -0.05 0.36 2.92 1.01 0.04 -2.52 120.40 119.98 2e9h s VAL 83 Ca 0.27 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 2e9h s VAL 83 Cb -0.06 -0.69 -0.13 0.00 0.00 0.00 0.00 36.38 35.49 2e9h s VAL 83 CO 0.14 -0.38 0.65 0.59 0.00 0.00 0.00 175.10 176.10 2e9h n ASN 84 N 5.26 -0.44 0.00 3.32 3.02 -0.85 -1.64 115.26 123.93 2e9h n ASN 84 Ca -0.07 1.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 2e9h n ASN 84 Cb 0.47 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 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 1.69 0.86 3.47 7.41 0.00 -1.25 -4.72 105.19 112.64 2e9h n GLY 85 Ca 0.12 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.89 5.09 -0.10 1.61 0.15 -1.26 -1.03 113.70 117.27 2e9h s SER 86 Ca 0.00 -0.16 -0.08 0.00 0.70 0.00 0.00 55.95 56.41 2e9h s SER 86 Cb 0.00 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2e9h s SER 86 CO 0.00 0.03 0.26 -1.00 1.20 0.00 0.00 173.24 173.74 2e9h s HIS 87 N 1.20 -0.32 0.12 3.44 3.76 -1.26 -5.01 115.29 117.23 2e9h s HIS 87 Ca 0.04 0.76 -0.20 0.00 -0.15 0.00 0.00 55.06 55.51 2e9h s HIS 87 Cb -0.14 0.09 -0.07 0.00 1.11 0.00 0.00 32.58 33.56 2e9h s HIS 87 CO 0.03 -0.18 0.64 -1.83 -0.85 0.00 0.00 174.74 172.55 2e9h s GLU 88 N 0.55 4.27 0.27 1.40 -1.05 -1.26 -4.87 118.70 118.01 2e9h s GLU 88 Ca -0.03 0.83 -0.08 0.00 -0.15 0.00 0.00 54.97 55.54 2e9h s GLU 88 Cb -0.05 -3.16 0.46 0.00 -0.44 0.00 0.00 34.13 30.94 2e9h s GLU 88 CO -0.03 0.57 1.57 0.00 0.95 0.00 0.00 175.26 178.33 2e9h h ALA 89 N 4.23 0.69 -0.77 -0.84 0.00 -1.91 0.21 119.26 120.87 2e9h h ALA 89 Ca -0.49 0.36 0.14 0.00 0.00 0.00 0.00 54.91 54.92 2e9h h ALA 89 Cb 1.21 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 19.54 2e9h h ALA 89 CO 0.64 -0.41 -0.27 -0.97 0.00 0.00 0.00 179.25 178.24 2e9h h ASN 90 N 0.01 -0.99 0.37 0.00 -1.24 -1.93 -1.02 115.58 110.77 2e9h h ASN 90 Ca 0.46 0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.70 2e9h h ASN 90 Cb 0.75 0.57 0.00 0.00 0.73 0.00 0.00 38.32 40.37 2e9h h ASN 90 CO -0.94 -0.28 -0.18 0.50 -1.29 0.00 0.00 177.43 175.24 2e9h h LYS 91 N -0.05 -0.48 -0.99 6.67 3.11 -1.00 -2.88 116.57 120.95 2e9h h LYS 91 Ca 0.33 0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.35 2e9h h LYS 91 Cb 0.58 0.11 -0.16 0.00 -1.00 0.00 0.00 32.23 31.76 2e9h h LYS 91 CO -0.81 -0.21 -0.40 1.28 -2.81 0.00 0.00 179.45 176.50 2e9h n LEU 92 N -5.22 -0.67 -0.26 5.20 4.77 -0.51 0.14 117.00 120.45 2e9h n LEU 92 Ca -0.10 1.73 0.06 0.00 -0.03 0.00 0.00 56.01 57.67 2e9h n LEU 92 Cb 0.26 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.27 2e9h n LEU 92 CO 0.33 -1.55 1.23 1.56 -1.33 0.00 0.00 177.39 177.64 2e9h h GLN 93 N 0.00 0.85 -0.65 3.23 1.08 -1.22 0.23 115.11 118.64 2e9h h GLN 93 Ca 0.33 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.52 2e9h h GLN 93 Cb 0.58 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 2e9h h GLN 93 CO -0.98 0.56 0.39 0.22 -0.95 0.00 0.00 178.83 178.08 2e9h h ASP 94 N 0.88 0.63 0.04 1.46 1.82 0.15 0.72 116.42 122.11 2e9h h ASP 94 Ca 0.38 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 2e9h h ASP 94 Cb 0.32 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2e9h h ASP 94 CO -0.15 0.43 -0.02 0.24 -1.61 0.00 0.00 179.24 178.14 2e9h h MET 95 N 0.76 -0.05 -0.95 0.28 2.86 -0.44 -3.30 114.93 114.09 2e9h h MET 95 Ca 0.27 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 58.13 2e9h h MET 95 Cb 0.06 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 2e9h h MET 95 CO -0.12 0.61 0.62 1.25 1.06 0.00 0.00 176.91 180.33 2e9h h LEU 96 N -0.91 0.46 -0.96 1.22 5.85 -0.54 -0.95 115.31 119.48 2e9h h LEU 96 Ca -0.00 0.06 0.30 0.00 0.84 0.00 0.00 57.88 59.07 2e9h h LEU 96 Cb 0.68 -0.03 -0.17 0.00 0.37 0.00 0.00 40.66 41.52 2e9h h LEU 96 CO 0.01 0.16 0.26 -0.78 -0.34 0.00 0.00 178.44 177.75 2e9h h ASP 97 N 0.45 -0.06 -0.43 1.25 3.58 -0.93 0.40 116.42 120.69 2e9h h ASP 97 Ca 0.51 0.24 0.02 0.00 0.42 0.00 0.00 57.03 58.22 2e9h h ASP 97 Cb 1.22 0.34 -0.03 0.00 1.72 0.00 0.00 39.33 42.58 2e9h h ASP 97 CO -0.23 -0.29 0.26 1.23 -2.88 0.00 0.00 179.24 177.33 2e9h h GLY 98 N 0.10 0.60 1.00 -0.78 0.00 -1.35 -1.01 103.07 101.63 2e9h h GLY 98 Ca 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 2e9h h GLY 98 CO -0.77 0.18 0.35 -2.75 0.00 0.00 0.00 176.54 173.54 2e9h h PHE 99 N 0.52 0.85 0.00 5.60 3.04 -0.37 -1.06 116.94 125.52 2e9h h PHE 99 Ca 0.17 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2e9h h PHE 99 Cb -0.00 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.23 2e9h h PHE 99 CO -0.07 0.60 0.00 -0.89 -2.02 0.00 0.00 178.31 175.94 2e9h n ILE 100 N -4.57 0.51 0.01 1.41 5.41 -0.62 -0.24 119.36 121.27 2e9h n ILE 100 Ca 0.04 0.13 -0.04 0.00 1.00 0.00 0.00 62.75 63.88 2e9h n ILE 100 Cb 0.08 -0.79 -0.11 0.00 -0.71 0.00 0.00 39.64 38.11 2e9h n ILE 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2e9h n LYS 101 N -1.38 0.63 -0.09 0.38 3.00 -0.41 -0.21 118.16 120.07 2e9h n LYS 101 Ca 0.07 0.26 -0.17 0.00 -0.00 0.00 0.00 58.31 58.47 2e9h n LYS 101 Cb 0.19 -1.80 -0.06 0.00 0.00 0.00 0.00 35.03 33.36 2e9h n LYS 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2e9h n LYS 102 N -2.96 0.42 0.00 1.64 2.85 -0.97 -4.28 118.16 114.86 2e9h n LYS 102 Ca -0.13 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2e9h n LYS 102 Cb 0.94 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 34.09 2e9h n LYS 102 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2e9h n PHE 103 N -4.03 0.00 0.00 5.58 3.01 0.67 -4.40 117.46 118.28 2e9h n PHE 103 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 2e9h n PHE 103 Cb 0.65 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 2e9h n PHE 103 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2e9h n VAL 104 N -1.57 0.00 -1.41 -4.37 0.31 -1.23 -4.74 118.33 105.32 2e9h n VAL 104 Ca 0.00 1.48 -0.33 0.00 -0.01 0.00 0.00 64.34 65.48 2e9h n VAL 104 Cb 0.00 -2.46 0.09 0.00 -0.91 0.00 0.00 33.84 30.55 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 -3.95 3.24 -0.08 7.52 1.43 0.70 -4.20 118.68 123.34 2e9h s LEU 105 Ca 0.00 2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 2e9h s LEU 105 Cb 0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2e9h s LEU 105 CO 0.00 -2.15 0.36 0.00 0.23 0.00 0.00 176.35 174.79 2e9h n PRO 107 N 2.76 0.49 0.00 0.00 -0.04 -1.26 0.18 135.00 137.13 2e9h n PRO 107 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2e9h n PRO 107 Cb 0.52 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.73 0.00 -0.04 0.54 1.02 -1.26 -4.84 120.64 115.33 2e9h n GLU 108 Ca 0.05 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 2e9h n GLU 108 Cb 0.02 -0.57 0.05 0.00 -0.02 0.00 0.00 31.44 30.93 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2e9h n GLU 110 N -0.83 -0.95 -3.62 0.00 -0.00 0.47 -4.69 120.64 111.02 2e9h n GLU 110 Ca 0.06 0.05 -0.36 0.00 -0.00 0.00 0.00 57.16 56.90 2e9h n GLU 110 Cb 0.43 -2.10 -0.07 0.00 -0.00 0.00 0.00 31.44 29.70 2e9h n GLU 110 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2e9h s ASN 111 N -3.83 6.44 0.00 -1.84 -0.87 -1.26 -4.33 114.94 109.24 2e9h s ASN 111 Ca 0.01 0.52 0.10 0.00 -1.57 0.00 0.00 52.86 51.92 2e9h s ASN 111 Cb -0.00 -2.16 0.61 0.00 -0.02 0.00 0.00 41.25 39.68 2e9h s ASN 111 CO 0.59 0.19 1.05 -0.81 -2.57 0.00 0.00 177.10 175.56 2e9h n PRO 112 N 3.08 0.49 -3.74 -0.60 -0.04 -1.26 -2.59 135.00 130.34 2e9h n PRO 112 Ca -0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 2e9h n PRO 112 Cb 0.52 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.63 0.08 0.54 2.02 -1.26 -4.83 118.70 115.87 2e9h s GLU 113 Ca 0.15 -2.73 0.03 0.00 0.02 0.00 0.00 54.97 52.44 2e9h s GLU 113 Cb 0.07 -3.71 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2e9h s GLU 113 CO 0.12 -1.19 -0.09 0.95 0.02 0.00 0.00 175.26 175.07 2e9h s THR 114 N -0.42 0.74 0.13 3.63 -4.23 -1.26 -4.38 115.64 109.86 2e9h s THR 114 Ca 0.19 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 2e9h s THR 114 Cb -0.18 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 2e9h s THR 114 CO -0.05 -0.56 -0.05 -1.81 -0.54 0.00 0.00 174.62 171.61 2e9h s ASP 115 N -2.26 4.61 -0.08 3.99 1.11 -1.13 -4.99 116.67 117.93 2e9h s ASP 115 Ca 0.01 -0.37 0.04 0.00 0.18 0.00 0.00 52.55 52.41 2e9h s ASP 115 Cb -0.04 -0.95 -0.01 0.00 1.07 0.00 0.00 42.92 43.00 2e9h s ASP 115 CO -0.01 0.14 -0.20 -0.76 1.18 0.00 0.00 175.17 175.52 2e9h s LEU 116 N -2.52 2.34 -0.07 1.23 1.43 -1.26 -1.01 118.68 118.82 2e9h s LEU 116 Ca 0.24 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2e9h s LEU 116 Cb -0.10 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2e9h s LEU 116 CO 0.16 0.23 -0.14 -1.00 0.23 0.00 0.00 176.35 175.83 2e9h s HIS 117 N -0.09 1.64 0.06 0.29 3.76 0.47 -4.97 115.29 116.45 2e9h s HIS 117 Ca -0.04 -0.62 0.06 0.00 -0.15 0.00 0.00 55.06 54.31 2e9h s HIS 117 Cb -0.14 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.34 2e9h s HIS 117 CO 0.04 -0.30 -0.14 0.54 -0.85 0.00 0.00 174.74 174.04 2e9h s VAL 118 N 0.60 3.11 -0.26 -0.90 0.11 -1.26 -0.66 120.40 121.13 2e9h s VAL 118 Ca -0.15 -1.15 0.01 0.00 -2.93 0.00 0.00 61.98 57.76 2e9h s VAL 118 Cb -0.16 -2.37 0.07 0.00 -1.53 0.00 0.00 36.38 32.39 2e9h s VAL 118 CO 0.05 0.27 -0.03 0.21 -3.33 0.00 0.00 175.10 172.27 2e9h s ASN 119 N -1.68 4.12 0.46 3.54 3.84 -0.64 -4.98 114.94 119.60 2e9h s ASN 119 Ca 0.17 -1.43 0.31 0.00 0.21 0.00 0.00 52.86 52.12 2e9h s ASN 119 Cb -0.11 -1.27 1.28 0.00 -0.55 0.00 0.00 41.25 40.60 2e9h s ASN 119 CO 0.08 -0.27 1.91 1.55 -2.79 0.00 0.00 177.10 177.58 2e9h h PRO 120 N 7.88 0.00 0.01 0.43 0.13 -1.92 0.17 132.00 138.70 2e9h h PRO 120 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2e9h h PRO 120 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2e9h h PRO 120 CO 0.44 0.00 -0.01 0.87 -0.23 0.00 0.00 178.00 179.08 2e9h h LYS 121 N 0.00 -0.02 0.00 0.86 6.56 -1.96 -3.35 116.57 118.66 2e9h h LYS 121 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2e9h h LYS 121 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2e9h h LYS 121 CO 0.00 -0.01 0.00 1.63 -2.06 0.00 0.00 179.45 179.01 2e9h n LYS 122 N -2.30 0.12 -3.35 3.15 4.01 -1.25 -4.91 118.16 113.62 2e9h n LYS 122 Ca -0.00 0.25 -0.17 0.00 -0.51 0.00 0.00 58.31 57.88 2e9h n LYS 122 Cb 0.01 -1.68 0.08 0.00 -0.51 0.00 0.00 35.03 32.93 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2e9h n GLN 123 N -1.90 -6.30 -4.11 1.97 1.13 0.58 -5.02 117.38 103.72 2e9h n GLN 123 Ca 0.04 0.79 -0.13 0.00 -1.94 0.00 0.00 57.00 55.76 2e9h n GLN 123 Cb 0.28 -5.63 -0.11 0.00 0.11 0.00 0.00 30.24 24.89 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 -3.33 0.67 0.01 5.09 -4.23 -1.06 -4.99 115.64 107.80 2e9h s THR 124 Ca 0.06 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2e9h s THR 124 Cb -0.03 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 2e9h s THR 124 CO 0.68 -0.50 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.57 2e9h s ILE 125 N -1.99 3.67 -0.22 2.99 1.01 -1.26 -1.62 121.20 123.78 2e9h s ILE 125 Ca -0.03 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2e9h s ILE 125 Cb -0.06 -2.60 0.07 0.00 0.01 0.00 0.00 42.46 39.88 2e9h s ILE 125 CO -0.01 0.39 0.54 -0.83 0.00 0.00 0.00 174.94 175.04 2e9h s GLY 126 N -1.44 -0.47 0.22 6.18 0.00 0.16 -0.15 107.32 111.82 2e9h s GLY 126 Ca 0.17 1.93 0.02 0.00 0.00 0.00 0.00 44.72 46.84 2e9h s GLY 126 CO 0.08 1.98 0.38 0.54 0.00 0.00 0.00 173.10 176.08 2e9h s ASN 127 N 1.43 6.35 -0.23 1.64 2.20 -1.14 -0.40 114.94 124.79 2e9h s ASN 127 Ca -0.09 0.27 -0.03 0.00 -0.94 0.00 0.00 52.86 52.08 2e9h s ASN 127 Cb -0.07 -1.95 0.07 0.00 -2.00 0.00 0.00 41.25 37.30 2e9h s ASN 127 CO -0.15 -0.06 0.06 -0.94 -2.94 0.00 0.00 177.10 173.07 2e9h s SER 128 N -3.51 3.22 0.35 3.54 1.04 -0.18 -3.21 113.70 114.95 2e9h s SER 128 Ca 0.37 -1.05 -0.08 0.00 0.48 0.00 0.00 55.95 55.66 2e9h s SER 128 Cb -0.10 -0.62 -0.06 0.00 0.10 0.00 0.00 66.02 65.33 2e9h s SER 128 CO 0.30 -0.34 0.68 0.00 0.98 0.00 0.00 173.24 174.85 2e9h n LYS 130 N -1.10 1.13 -0.16 0.00 0.00 -1.26 -3.49 118.16 113.29 2e9h n LYS 130 Ca 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 58.31 58.25 2e9h n LYS 130 Cb 0.54 -1.29 -0.08 0.00 0.00 0.00 0.00 35.03 34.19 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e9h h ALA 131 N 0.24 -0.67 0.00 3.14 0.00 -1.95 -3.28 119.26 116.74 2e9h h ALA 131 Ca -0.32 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 2e9h h ALA 131 Cb 1.59 1.11 -0.06 0.00 0.00 0.00 0.00 17.79 20.42 2e9h h ALA 131 CO -0.02 -0.91 -2.25 0.00 0.00 0.00 0.00 179.25 176.07 2e9h n GLY 133 N 2.20 0.83 3.65 0.00 0.00 -1.23 -5.09 105.19 105.56 2e9h n GLY 133 Ca -0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.44 3.36 -0.12 1.61 6.14 -1.23 -4.88 117.35 120.78 2e9h s TYR 134 Ca 0.00 0.93 -0.01 0.00 0.64 0.00 0.00 57.07 58.63 2e9h s TYR 134 Cb 0.00 -2.83 0.04 0.00 0.42 0.00 0.00 41.96 39.59 2e9h s TYR 134 CO 0.00 -0.22 -0.01 1.03 0.64 0.00 0.00 175.55 177.00 2e9h s ARG 135 N 2.07 0.88 0.00 4.97 3.00 -1.26 -1.17 118.95 127.44 2e9h s ARG 135 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 55.73 55.84 2e9h s ARG 135 Cb -0.16 -1.53 0.00 0.00 0.00 0.00 0.00 34.95 33.27 2e9h s ARG 135 CO 0.10 -0.41 0.00 0.41 0.00 0.00 0.00 175.30 175.40 2e9h n GLY 136 N 5.05 1.87 3.37 -3.53 0.00 -1.20 -5.05 105.19 105.70 2e9h n GLY 136 Ca -0.09 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2e9h n GLY 136 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2e9h s MET 137 N -1.84 3.50 0.23 1.61 -1.94 -1.26 -2.87 119.30 116.73 2e9h s MET 137 Ca 0.00 -0.56 -0.30 0.00 -1.71 0.00 0.00 55.69 53.12 2e9h s MET 137 Cb 0.00 -3.14 -0.10 0.00 2.01 0.00 0.00 34.83 33.60 2e9h s MET 137 CO 0.00 -0.18 1.46 -0.51 -0.01 0.00 0.00 175.02 175.77 2e9h s LEU 138 N 1.51 4.38 -0.43 -0.03 1.43 0.78 -4.85 118.68 121.48 2e9h s LEU 138 Ca 0.06 2.65 -0.45 0.00 -1.03 0.00 0.00 54.13 55.36 2e9h s LEU 138 Cb -0.15 -3.62 -0.18 0.00 0.03 0.00 0.00 46.19 42.27 2e9h s LEU 138 CO -0.00 -0.72 1.69 -0.67 0.23 0.00 0.00 176.35 176.87 2e9h n ASP 139 N 2.67 1.56 -4.54 2.29 2.03 -1.26 -4.57 116.55 114.72 2e9h n ASP 139 Ca 0.08 1.11 -0.36 0.00 0.52 0.00 0.00 54.79 56.14 2e9h n ASP 139 Cb 0.40 -0.97 -0.05 0.00 -0.72 0.00 0.00 41.12 39.79 2e9h n ASP 139 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2e9h n THR 140 N 4.39 -0.08 -0.15 5.18 -2.24 -1.26 -4.93 114.28 115.20 2e9h n THR 140 Ca 0.31 -0.71 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2e9h n THR 140 Cb 0.00 -2.52 0.09 0.00 -2.10 0.00 0.00 70.33 65.80 2e9h n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2e9h n HIS 141 N 15.39 -2.09 -0.03 4.78 -0.00 -1.26 -5.00 115.22 127.00 2e9h n HIS 141 Ca 0.41 -0.16 -0.02 0.00 0.46 0.00 0.00 57.72 58.41 2e9h n HIS 141 Cb 0.48 -0.52 -0.01 0.00 -0.12 0.00 0.00 29.99 29.83 2e9h n HIS 141 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2e9h n HIS 142 N -3.65 0.29 -0.10 1.57 -0.00 -1.26 -4.63 115.22 107.43 2e9h n HIS 142 Ca 0.04 0.13 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 2e9h n HIS 142 Cb 0.17 -0.40 -0.06 0.00 -0.12 0.00 0.00 29.99 29.58 2e9h n HIS 142 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2e9h n LYS 143 N -3.18 0.53 -0.11 1.57 5.02 -1.26 -4.46 118.16 116.27 2e9h n LYS 143 Ca -0.03 0.37 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 2e9h n LYS 143 Cb 0.12 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2e9h n LYS 143 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2e9h n LEU 144 N -4.43 -0.29 -0.27 -0.35 7.94 -1.26 0.26 117.00 118.60 2e9h n LEU 144 Ca -0.27 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 2e9h n LEU 144 Cb 0.59 -0.30 0.04 0.00 0.53 0.00 0.00 43.42 44.29 2e9h n LEU 144 CO 0.13 -0.63 0.43 0.00 -1.11 0.00 0.00 177.39 176.21 2e9h h THR 146 N 0.00 0.86 -0.44 0.00 2.02 -0.41 0.05 112.91 114.99 2e9h h THR 146 Ca 0.26 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 2e9h h THR 146 Cb 0.44 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2e9h h THR 146 CO -0.71 0.08 0.08 0.15 0.37 0.00 0.00 175.52 175.49 2e9h h PHE 147 N 0.45 0.77 0.31 3.16 3.57 0.25 -2.32 116.94 123.13 2e9h h PHE 147 Ca 0.26 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2e9h h PHE 147 Cb 0.25 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2e9h h PHE 147 CO -0.14 0.73 -0.19 0.82 -2.23 0.00 0.00 178.31 177.31 2e9h h ILE 148 N 0.59 0.61 -0.29 1.41 2.04 0.09 -1.94 117.51 120.02 2e9h h ILE 148 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 2e9h h ILE 148 Cb 0.37 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2e9h h ILE 148 CO 0.01 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.95 2e9h h LEU 149 N -0.47 -0.46 -0.64 1.44 3.38 -0.99 -1.68 115.31 115.90 2e9h h LEU 149 Ca -0.03 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2e9h h LEU 149 Cb 0.39 0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 2e9h h LEU 149 CO 0.03 -0.17 0.19 0.11 0.09 0.00 0.00 178.44 178.70 2e9h h LYS 150 N -0.09 0.33 -3.77 1.13 1.79 -1.27 -3.35 116.57 111.33 2e9h h LYS 150 Ca 0.15 -0.02 -0.60 0.00 -2.18 0.00 0.00 60.65 58.00 2e9h h LYS 150 Cb 0.32 -0.07 -0.40 0.00 -1.58 0.00 0.00 32.23 30.50 2e9h h LYS 150 CO -0.35 0.22 -0.75 0.54 -1.08 0.00 0.00 179.45 178.03 2e9h s ASN 151 N -5.33 4.16 1.01 0.86 2.20 -0.66 -5.12 114.94 112.06 2e9h s ASN 151 Ca -0.13 -1.72 -0.13 0.00 -0.94 0.00 0.00 52.86 49.94 2e9h s ASN 151 Cb 0.18 -1.01 0.20 0.00 -2.00 0.00 0.00 41.25 38.62 2e9h s ASN 151 CO 0.75 -0.41 1.09 -2.16 -2.94 0.00 0.00 177.10 173.43 2e9h s PRO 152 N 1.48 0.31 0.33 3.55 0.04 -1.00 -4.54 135.00 135.17 2e9h s PRO 152 Ca 0.10 0.48 -0.28 0.00 0.04 0.00 0.00 61.00 61.34 2e9h s PRO 152 Cb -0.18 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 2e9h s PRO 152 CO -0.22 -2.80 1.22 -1.25 0.04 0.00 0.00 177.00 173.99 2e9h s PRO 153 N -4.97 4.36 0.13 0.56 0.04 -1.26 -5.05 135.00 128.82 2e9h s PRO 153 Ca 0.66 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.79 2e9h s PRO 153 Cb -0.19 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2e9h s PRO 153 CO 0.58 -0.11 -0.10 -2.00 0.04 0.00 0.00 177.00 175.41 2e9h s GLU 154 N -1.81 2.09 -0.03 4.56 2.12 -1.26 -5.12 118.70 119.25 2e9h s GLU 154 Ca 0.50 -1.11 0.03 0.00 0.36 0.00 0.00 54.97 54.74 2e9h s GLU 154 Cb -0.36 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2e9h s GLU 154 CO 0.46 0.48 -0.11 -0.80 -0.54 0.00 0.00 175.26 174.76 2e9h s ASN 155 N -2.44 1.40 -0.13 -1.70 0.01 -1.26 -5.06 114.94 105.76 2e9h s ASN 155 Ca 0.22 -0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 52.09 2e9h s ASN 155 Cb -0.10 -0.36 0.06 0.00 0.41 0.00 0.00 41.25 41.26 2e9h s ASN 155 CO 0.14 0.09 0.30 -0.94 -1.51 0.00 0.00 177.10 175.18 2e9h s SER 156 N 0.12 -0.18 0.00 -1.22 1.04 -1.26 -5.34 113.70 106.87 2e9h s SER 156 Ca -0.03 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2e9h s SER 156 Cb -0.09 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2e9h s SER 156 CO 0.01 -0.19 0.01 0.47 0.98 0.00 0.00 173.24 174.51