#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 5.80 0.64 1.61 0.01 -1.26 -5.07 113.70 115.43 2e9h s SER 2 Ca 0.00 -2.20 -0.17 0.00 1.31 0.00 0.00 55.95 54.88 2e9h s SER 2 Cb 0.00 -2.02 -0.12 0.00 0.21 0.00 0.00 66.02 64.09 2e9h s SER 2 CO 0.00 -0.62 -0.02 -1.54 0.41 0.00 0.00 173.24 171.47 2e9h n SER 3 N 4.51 -3.21 0.00 2.44 3.41 -1.26 -5.00 113.62 114.51 2e9h n SER 3 Ca -0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2e9h n SER 3 Cb 0.41 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 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 2.40 0.46 3.12 5.00 0.00 -1.26 -5.05 105.19 109.86 2e9h n GLY 4 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 5 N -0.57 4.71 0.27 1.61 0.15 -1.26 -5.00 113.70 113.61 2e9h s SER 5 Ca 0.00 -1.40 -0.09 0.00 0.70 0.00 0.00 55.95 55.16 2e9h s SER 5 Cb 0.00 -1.64 0.43 0.00 -1.71 0.00 0.00 66.02 63.10 2e9h s SER 5 CO 0.00 -0.25 1.58 -1.28 1.20 0.00 0.00 173.24 174.49 2e9h h SER 6 N 7.88 -0.83 -1.76 5.45 0.87 -2.04 -3.45 113.55 119.68 2e9h h SER 6 Ca -0.19 0.27 0.12 0.00 -1.23 0.00 0.00 61.79 60.76 2e9h h SER 6 Cb 1.05 0.56 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 2e9h h SER 6 CO 0.51 -0.30 0.40 0.61 -0.53 0.00 0.00 176.83 177.52 2e9h n GLY 7 N -1.58 0.78 3.60 5.77 0.00 -1.26 -5.15 105.19 107.35 2e9h n GLY 7 Ca 0.15 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 2e9h n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2e9h n MET 8 N -0.48 0.41 -3.82 1.61 2.00 -1.26 -4.95 117.12 110.63 2e9h n MET 8 Ca -0.01 0.20 -0.13 0.00 0.00 0.00 0.00 57.70 57.76 2e9h n MET 8 Cb 0.37 -2.20 -0.15 0.00 0.00 0.00 0.00 33.22 31.24 2e9h n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2e9h s SER 9 N -1.71 0.01 0.10 7.83 1.04 -1.26 -3.54 113.70 116.16 2e9h s SER 9 Ca 0.72 0.06 0.02 0.00 0.48 0.00 0.00 55.95 57.23 2e9h s SER 9 Cb -0.33 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 2e9h s SER 9 CO 0.52 -0.07 0.19 0.68 0.98 0.00 0.00 173.24 175.54 2e9h s VAL 10 N 0.53 5.05 0.15 5.02 -7.23 -0.91 -4.87 120.40 118.14 2e9h s VAL 10 Ca -0.04 -0.64 -0.34 0.00 -1.81 0.00 0.00 61.98 59.15 2e9h s VAL 10 Cb -0.06 -3.50 -0.16 0.00 0.56 0.00 0.00 36.38 33.21 2e9h s VAL 10 CO -0.02 0.05 1.17 0.59 -0.31 0.00 0.00 175.10 176.58 2e9h n ASN 11 N 0.06 1.25 -0.25 4.85 4.13 -1.26 -3.14 115.26 120.90 2e9h n ASN 11 Ca -0.07 1.14 0.17 0.00 1.68 0.00 0.00 54.58 57.51 2e9h n ASN 11 Cb 0.52 -1.19 0.33 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 1.60 -0.31 -4.84 2.41 0.31 -1.26 -4.04 118.33 112.20 2e9h n VAL 12 Ca 0.16 1.58 -0.27 0.00 -0.01 0.00 0.00 64.34 65.80 2e9h n VAL 12 Cb 0.23 -2.43 -0.16 0.00 -0.91 0.00 0.00 33.84 30.57 2e9h n VAL 12 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2e9h s ASN 13 N -4.83 2.22 -0.08 4.52 2.20 -1.26 -4.99 114.94 112.72 2e9h s ASN 13 Ca -0.08 -0.37 0.00 0.00 -0.94 0.00 0.00 52.86 51.47 2e9h s ASN 13 Cb 0.24 -0.77 0.09 0.00 -2.00 0.00 0.00 41.25 38.81 2e9h s ASN 13 CO 0.58 0.13 1.48 0.54 -2.94 0.00 0.00 177.10 176.89 2e9h n ARG 14 N 3.34 1.23 -0.02 3.55 3.00 -1.26 -3.42 116.66 123.09 2e9h n ARG 14 Ca -0.19 -0.49 -0.01 0.00 -0.01 0.00 0.00 57.85 57.14 2e9h n ARG 14 Cb 0.53 -1.19 -0.03 0.00 0.00 0.00 0.00 32.46 31.76 2e9h n ARG 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2e9h n SER 15 N 0.58 4.06 -4.78 0.55 3.41 -1.26 -5.02 113.62 111.15 2e9h n SER 15 Ca 0.10 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.34 2e9h n SER 15 Cb 0.62 0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 65.16 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2e9h s VAL 16 N -2.11 4.27 -0.27 -3.33 0.11 -1.22 -4.99 120.40 112.87 2e9h s VAL 16 Ca -0.02 1.74 0.10 0.00 -2.93 0.00 0.00 61.98 60.87 2e9h s VAL 16 Cb 0.01 -4.01 0.46 0.00 -1.53 0.00 0.00 36.38 31.31 2e9h s VAL 16 CO 0.16 0.20 1.18 -1.20 -3.33 0.00 0.00 175.10 172.11 2e9h n SER 17 N 0.72 3.98 -4.31 3.54 7.64 -1.26 -5.03 113.62 118.90 2e9h n SER 17 Ca 0.00 -3.47 -0.31 0.00 1.01 0.00 0.00 58.87 56.10 2e9h n SER 17 Cb 0.50 -0.38 -0.16 0.00 -1.01 0.00 0.00 64.21 63.16 2e9h n SER 17 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2e9h s ASP 18 N -3.55 3.13 -0.25 6.43 1.01 -1.26 -5.02 116.67 117.16 2e9h s ASP 18 Ca 0.46 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 2e9h s ASP 18 Cb 0.39 -0.54 0.07 0.00 1.01 0.00 0.00 42.92 43.85 2e9h s ASP 18 CO 0.01 0.30 2.42 0.00 0.21 0.00 0.00 175.17 178.11 2e9h n GLN 19 N 2.60 1.82 0.00 8.23 0.00 -1.26 -3.77 117.38 125.00 2e9h n GLN 19 Ca -0.17 -1.38 0.00 0.00 0.00 0.00 0.00 57.00 55.46 2e9h n GLN 19 Cb 0.51 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2e9h n GLN 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2e9h n PHE 20 N 0.99 0.00 -1.11 2.61 3.01 -1.26 -5.01 117.46 116.70 2e9h n PHE 20 Ca 0.31 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.51 2e9h n PHE 20 Cb 0.60 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.94 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 -2.15 0.28 0.00 1.38 4.19 -1.25 -4.78 117.16 114.82 2e9h n TYR 21 Ca 0.00 0.19 0.00 0.00 3.31 0.00 0.00 57.90 61.40 2e9h n TYR 21 Cb 0.43 -1.30 0.00 0.00 0.49 0.00 0.00 39.34 38.97 2e9h n TYR 21 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 2e9h n ARG 22 N 5.55 0.00 -1.54 2.98 0.63 -1.26 -4.73 116.66 118.30 2e9h n ARG 22 Ca 0.49 0.49 -0.46 0.00 -0.92 0.00 0.00 57.85 57.45 2e9h n ARG 22 Cb 0.05 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.46 2e9h n ARG 22 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2e9h n TYR 23 N -1.98 0.80 -4.17 -0.14 4.01 -1.26 -4.98 117.16 109.44 2e9h n TYR 23 Ca 0.00 0.78 -0.14 0.00 -0.16 0.00 0.00 57.90 58.38 2e9h n TYR 23 Cb 0.00 -2.17 -0.08 0.00 -0.31 0.00 0.00 39.34 36.78 2e9h n TYR 23 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2e9h s LYS 24 N -1.23 1.52 -0.15 -0.72 -0.14 -1.26 -4.10 119.74 113.67 2e9h s LYS 24 Ca 0.62 -1.69 -0.10 0.00 -1.36 0.00 0.00 55.97 53.44 2e9h s LYS 24 Cb -0.79 0.35 0.05 0.00 -1.68 0.00 0.00 37.83 35.76 2e9h s LYS 24 CO 0.58 -0.57 0.38 0.00 -0.76 0.00 0.00 175.35 174.98 2e9h s MET 25 N -3.76 0.38 0.19 1.68 0.23 -1.19 -4.85 119.30 111.99 2e9h s MET 25 Ca 0.35 0.67 -0.30 0.00 -1.03 0.00 0.00 55.69 55.38 2e9h s MET 25 Cb 0.03 0.04 -0.09 0.00 -1.53 0.00 0.00 34.83 33.28 2e9h s MET 25 CO 0.17 -0.13 1.31 -1.25 -2.03 0.00 0.00 175.02 173.09 2e9h s PRO 26 N 1.01 4.39 -0.37 3.16 0.04 -1.26 -2.15 135.00 139.82 2e9h s PRO 26 Ca -0.07 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 2e9h s PRO 26 Cb -0.07 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 2e9h s PRO 26 CO -0.08 -0.25 2.28 0.54 0.04 0.00 0.00 177.00 179.52 2e9h n ARG 27 N 2.67 1.31 -1.45 4.56 3.00 -1.23 -4.71 116.66 120.82 2e9h n ARG 27 Ca 0.06 0.30 -0.40 0.00 -0.01 0.00 0.00 57.85 57.80 2e9h n ARG 27 Cb 0.43 -2.87 0.02 0.00 0.00 0.00 0.00 32.46 30.03 2e9h n ARG 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2e9h n LEU 28 N 11.73 -0.03 -4.57 0.55 -0.00 -1.26 -4.97 117.00 118.44 2e9h n LEU 28 Ca 0.38 0.85 -0.34 0.00 -0.00 0.00 0.00 56.01 56.90 2e9h n LEU 28 Cb 0.36 -1.11 -0.11 0.00 -0.00 0.00 0.00 43.42 42.55 2e9h n LEU 28 CO 0.73 -3.04 -0.39 -0.63 -0.00 0.00 0.00 177.39 174.06 2e9h s ILE 29 N -1.57 3.63 -0.14 1.47 1.01 -1.26 -4.95 121.20 119.39 2e9h s ILE 29 Ca 0.64 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.77 2e9h s ILE 29 Cb -0.55 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2e9h s ILE 29 CO 0.58 0.57 -0.20 0.00 0.00 0.00 0.00 174.94 175.89 2e9h s ALA 30 N -0.83 2.10 -0.18 9.38 0.00 -1.26 -2.53 121.76 128.45 2e9h s ALA 30 Ca 0.13 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2e9h s ALA 30 Cb -0.11 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 2e9h s ALA 30 CO 0.02 -0.08 0.09 0.21 0.00 0.00 0.00 175.76 176.00 2e9h s LYS 31 N 0.92 3.95 -0.01 0.00 2.47 -0.37 -4.75 119.74 121.97 2e9h s LYS 31 Ca -0.05 -0.28 0.02 0.00 -1.56 0.00 0.00 55.97 54.10 2e9h s LYS 31 Cb -0.15 -3.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 2e9h s LYS 31 CO -0.03 0.36 -0.05 0.08 0.16 0.00 0.00 175.35 175.87 2e9h s VAL 32 N 0.15 0.42 -0.02 4.02 1.01 -1.26 -1.24 120.40 123.49 2e9h s VAL 32 Ca 0.07 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2e9h s VAL 32 Cb -0.12 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.90 2e9h s VAL 32 CO -0.00 0.13 -0.02 -1.83 0.00 0.00 0.00 175.10 173.38 2e9h s GLU 33 N 0.04 0.35 0.32 2.72 4.04 -1.26 -5.02 118.70 119.89 2e9h s GLU 33 Ca 0.00 -0.04 0.00 0.00 0.04 0.00 0.00 54.97 54.97 2e9h s GLU 33 Cb -0.04 -0.43 0.00 0.00 0.02 0.00 0.00 34.13 33.68 2e9h s GLU 33 CO -0.00 -0.03 0.00 0.41 -1.84 0.00 0.00 175.26 173.80 2e9h n GLY 34 N 3.61 -2.77 2.81 -3.83 0.00 -1.26 -3.85 105.19 99.90 2e9h n GLY 34 Ca -0.20 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.32 0.98 0.00 1.61 1.02 -1.26 -4.35 119.74 114.42 2e9h s LYS 35 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.03 2e9h s LYS 35 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2e9h s LYS 35 CO 0.00 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 2e9h n GLY 36 N 4.81 2.54 1.62 -3.33 0.00 -1.26 -4.80 105.19 104.76 2e9h n GLY 36 Ca -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.85 4.92 0.00 1.61 0.23 -1.26 -4.50 115.26 117.11 2e9h n ASN 37 Ca 0.00 -2.72 0.00 0.00 -0.53 0.00 0.00 54.58 51.33 2e9h n ASN 37 Cb 0.00 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 36.82 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 0.40 1.90 3.72 4.83 0.00 -1.26 -4.99 105.19 109.78 2e9h n GLY 38 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 3.79 0.10 -0.61 2.07 -1.25 -4.86 121.20 118.43 2e9h s ILE 39 Ca 0.00 1.34 -0.08 0.00 -1.41 0.00 0.00 60.65 60.50 2e9h s ILE 39 Cb 0.00 -3.86 -0.01 0.00 0.13 0.00 0.00 42.46 38.73 2e9h s ILE 39 CO 0.00 0.14 0.18 -1.59 -1.91 0.00 0.00 174.94 171.75 2e9h s LYS 40 N 0.70 0.88 -0.35 3.50 -2.85 -1.26 -3.83 119.74 116.52 2e9h s LYS 40 Ca 0.58 -1.04 -0.08 0.00 -1.00 0.00 0.00 55.97 54.43 2e9h s LYS 40 Cb -0.32 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 35.83 2e9h s LYS 40 CO 0.31 -0.28 0.14 0.99 0.10 0.00 0.00 175.35 176.61 2e9h s THR 41 N -3.89 3.99 -0.41 3.79 2.01 -0.16 -4.13 115.64 116.83 2e9h s THR 41 Ca 0.08 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 2e9h s THR 41 Cb 0.05 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.34 2e9h s THR 41 CO -0.09 -0.22 0.27 -0.69 -0.69 0.00 0.00 174.62 173.21 2e9h s VAL 42 N 1.44 4.68 -1.23 3.82 1.01 -0.37 -0.37 120.40 129.38 2e9h s VAL 42 Ca -0.01 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 2e9h s VAL 42 Cb -0.20 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2e9h s VAL 42 CO 0.04 -0.38 1.86 -0.63 0.00 0.00 0.00 175.10 175.98 2e9h s ILE 43 N 1.55 3.77 0.16 2.22 1.01 -1.10 -1.23 121.20 127.58 2e9h s ILE 43 Ca 0.03 -1.31 -0.17 0.00 0.00 0.00 0.00 60.65 59.19 2e9h s ILE 43 Cb -0.21 -4.82 0.07 0.00 0.01 0.00 0.00 42.46 37.51 2e9h s ILE 43 CO 0.06 -1.40 1.68 0.58 0.00 0.00 0.00 174.94 175.86 2e9h h VAL 44 N 5.93 0.64 -0.53 2.92 2.07 -1.75 -1.83 116.25 123.70 2e9h h VAL 44 Ca 0.31 -0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.50 2e9h h VAL 44 Cb 0.91 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.20 2e9h h VAL 44 CO 1.32 0.00 0.10 -3.20 0.02 0.00 0.00 177.57 175.81 2e9h n ASN 45 N -5.28 5.96 -0.05 0.57 5.15 -1.25 -4.35 115.26 116.01 2e9h n ASN 45 Ca 0.01 -2.87 -0.19 0.00 -0.60 0.00 0.00 54.58 50.93 2e9h n ASN 45 Cb 0.20 -1.26 -0.13 0.00 -0.53 0.00 0.00 39.78 38.06 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 2.60 0.08 -0.39 1.20 1.85 -1.64 -3.28 114.93 115.36 2e9h h MET 46 Ca 0.28 -0.14 -0.09 0.00 -0.61 0.00 0.00 59.70 59.13 2e9h h MET 46 Cb 1.04 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.11 2e9h h MET 46 CO 0.57 1.07 -0.14 0.28 -0.40 0.00 0.00 176.91 178.29 2e9h h VAL 47 N -0.77 1.26 0.05 -5.77 2.07 -1.83 -2.54 116.25 108.72 2e9h h VAL 47 Ca -0.22 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 2e9h h VAL 47 Cb 1.36 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2e9h h VAL 47 CO -0.05 0.40 -0.03 -0.78 0.02 0.00 0.00 177.57 177.13 2e9h h ASP 48 N 0.65 -0.08 -0.99 0.57 3.58 -1.87 0.17 116.42 118.46 2e9h h ASP 48 Ca 0.11 0.00 0.24 0.00 0.42 0.00 0.00 57.03 57.80 2e9h h ASP 48 Cb 0.61 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 41.56 2e9h h ASP 48 CO 0.04 -0.05 0.58 -0.37 -2.88 0.00 0.00 179.24 176.56 2e9h h VAL 49 N -0.07 0.55 -0.76 2.25 -1.51 -1.64 0.22 116.25 115.28 2e9h h VAL 49 Ca -0.01 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.22 2e9h h VAL 49 Cb 0.06 -0.09 -0.03 0.00 -2.13 0.00 0.00 31.29 29.10 2e9h h VAL 49 CO 0.00 0.11 0.29 0.00 -1.23 0.00 0.00 177.57 176.74 2e9h h ALA 50 N 1.72 0.99 -0.79 5.19 0.00 -1.27 -2.51 119.26 122.60 2e9h h ALA 50 Ca 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2e9h h ALA 50 Cb 1.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2e9h h ALA 50 CO -0.47 0.63 0.44 -0.22 0.00 0.00 0.00 179.25 179.62 2e9h h LYS 51 N 1.10 1.09 -0.49 0.00 3.64 0.25 -1.65 116.57 120.52 2e9h h LYS 51 Ca 0.25 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2e9h h LYS 51 Cb 0.23 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2e9h h LYS 51 CO -0.02 0.80 0.12 0.00 -2.27 0.00 0.00 179.45 178.09 2e9h h ALA 52 N 1.23 1.29 -0.11 5.00 0.00 -1.10 -1.47 119.26 124.10 2e9h h ALA 52 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2e9h h ALA 52 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2e9h h ALA 52 CO -0.05 0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2e9h n LEU 53 N -4.29 1.22 -2.70 0.00 4.77 -0.91 -4.85 117.00 110.24 2e9h n LEU 53 Ca 0.03 -0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 55.29 2e9h n LEU 53 Cb 0.21 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2e9h n LEU 53 CO 0.39 0.24 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.41 2e9h n ASN 54 N -0.02 -2.77 -4.02 -1.43 5.15 -0.55 -4.91 115.26 106.71 2e9h n ASN 54 Ca 0.04 0.15 -0.10 0.00 -0.60 0.00 0.00 54.58 54.07 2e9h n ASN 54 Cb 0.26 -2.40 -0.11 0.00 -0.53 0.00 0.00 39.78 37.00 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2e9h s ARG 55 N -5.27 0.41 0.46 1.20 0.52 -0.67 -5.04 118.95 110.56 2e9h s ARG 55 Ca 0.10 -0.72 -0.23 0.00 -0.52 0.00 0.00 55.73 54.36 2e9h s ARG 55 Cb -0.05 -0.02 -0.07 0.00 0.52 0.00 0.00 34.95 35.32 2e9h s ARG 55 CO 0.12 -0.02 1.17 -1.25 0.02 0.00 0.00 175.30 175.34 2e9h s PRO 56 N -1.73 3.77 0.00 3.54 0.04 -1.26 -3.86 135.00 135.50 2e9h s PRO 56 Ca -0.12 1.78 0.15 0.00 0.04 0.00 0.00 61.00 62.85 2e9h s PRO 56 Cb -0.08 -2.42 0.83 0.00 0.04 0.00 0.00 34.50 32.87 2e9h s PRO 56 CO -0.01 -0.54 1.38 -0.35 0.04 0.00 0.00 177.00 177.51 2e9h n PRO 57 N -0.46 0.34 0.10 0.56 -0.04 -1.26 -2.69 135.00 131.54 2e9h n PRO 57 Ca 0.07 0.08 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 2e9h n PRO 57 Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.48 0.33 0.52 1.35 -1.96 -0.62 112.91 114.00 2e9h h THR 58 Ca 0.00 -2.37 -0.02 0.00 -0.55 0.00 0.00 66.41 63.47 2e9h h THR 58 Cb 0.08 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2e9h h THR 58 CO 0.00 0.69 -0.16 1.88 -0.25 0.00 0.00 175.52 177.68 2e9h h TYR 59 N 0.07 -0.41 0.08 4.73 0.05 -1.91 -2.78 116.97 116.80 2e9h h TYR 59 Ca -0.02 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2e9h h TYR 59 Cb 1.28 0.13 0.00 0.00 1.01 0.00 0.00 36.73 39.16 2e9h h TYR 59 CO 0.01 -0.07 -0.04 -1.00 -1.05 0.00 0.00 178.16 176.02 2e9h h PRO 60 N -0.84 -0.10 -0.65 4.88 0.13 -1.74 -3.15 132.00 130.55 2e9h h PRO 60 Ca -0.04 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.22 2e9h h PRO 60 Cb 0.52 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 31.55 2e9h h PRO 60 CO 0.07 0.35 -0.13 1.15 -0.23 0.00 0.00 178.00 179.22 2e9h h THR 61 N -0.59 0.37 -0.33 1.56 2.02 -1.24 0.49 112.91 115.19 2e9h h THR 61 Ca -0.01 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.22 2e9h h THR 61 Cb 0.49 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2e9h h THR 61 CO 0.02 0.00 0.23 0.11 0.37 0.00 0.00 175.52 176.25 2e9h h LYS 62 N 0.02 0.16 0.53 6.66 1.79 -1.55 -2.66 116.57 121.52 2e9h h LYS 62 Ca 0.32 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.75 2e9h h LYS 62 Cb 0.50 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2e9h h LYS 62 CO -0.65 0.11 -0.25 -0.92 -1.08 0.00 0.00 179.45 176.66 2e9h h TYR 63 N 0.17 -0.66 -0.92 -1.35 3.20 0.02 -2.87 116.97 114.56 2e9h h TYR 63 Ca 0.15 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.10 2e9h h TYR 63 Cb 0.37 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 38.74 2e9h h TYR 63 CO -0.00 -0.34 -0.53 0.74 -1.64 0.00 0.00 178.16 176.39 2e9h h PHE 64 N -0.92 -1.67 -0.79 -3.82 0.04 -1.08 0.33 116.94 109.04 2e9h h PHE 64 Ca -0.07 0.12 0.15 0.00 2.80 0.00 0.00 57.97 60.96 2e9h h PHE 64 Cb 0.62 0.85 -0.10 0.00 2.20 0.00 0.00 35.95 39.52 2e9h h PHE 64 CO -0.00 -0.39 0.34 0.78 -0.60 0.00 0.00 178.31 178.43 2e9h h GLY 65 N -0.05 1.23 0.81 -1.45 0.00 -1.57 0.23 103.07 102.27 2e9h h GLY 65 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2e9h h GLY 65 CO -0.90 -0.10 -0.35 0.00 0.00 0.00 0.00 176.54 175.18 2e9h h GLU 67 N -0.84 1.12 0.00 0.00 4.39 -0.65 -1.66 114.58 116.94 2e9h h GLU 67 Ca -0.06 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 2e9h h GLU 67 Cb 0.70 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2e9h h GLU 67 CO 0.04 0.74 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.22 2e9h h LEU 68 N 1.16 0.00 0.03 1.33 3.38 -0.32 -3.47 115.31 117.41 2e9h h LEU 68 Ca 0.32 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 2e9h h LEU 68 Cb -0.11 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.67 2e9h h LEU 68 CO -0.08 0.35 -0.27 0.61 0.09 0.00 0.00 178.44 179.15 2e9h n GLY 69 N 0.43 0.18 3.26 0.83 0.00 0.46 -5.04 105.19 105.31 2e9h n GLY 69 Ca 0.00 -0.38 -0.25 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 n ALA 70 N -2.65 0.54 -2.58 4.61 0.00 -0.72 -5.03 120.51 114.68 2e9h n ALA 70 Ca -0.04 -2.02 -0.32 0.00 0.00 0.00 0.00 53.44 51.05 2e9h n ALA 70 Cb 0.55 1.33 -0.05 0.00 0.00 0.00 0.00 19.45 21.28 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 -3.53 3.70 0.36 0.00 1.11 -1.26 -4.62 119.66 115.42 2e9h s GLN 71 Ca 0.18 0.06 0.09 0.00 0.01 0.00 0.00 55.36 55.70 2e9h s GLN 71 Cb 0.01 -2.82 -0.07 0.00 -1.01 0.00 0.00 33.01 29.12 2e9h s GLN 71 CO 0.13 0.44 -0.06 0.95 0.01 0.00 0.00 175.29 176.76 2e9h s THR 72 N -1.65 2.15 -0.15 -0.19 -4.23 -1.26 -1.58 115.64 108.73 2e9h s THR 72 Ca 0.41 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2e9h s THR 72 Cb -0.12 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.00 2e9h s THR 72 CO 0.22 -0.15 -0.11 -1.58 -0.54 0.00 0.00 174.62 172.47 2e9h s GLN 73 N -3.64 1.98 -0.25 3.99 0.74 -0.83 -4.99 119.66 116.65 2e9h s GLN 73 Ca 0.33 -0.51 -0.06 0.00 0.05 0.00 0.00 55.36 55.17 2e9h s GLN 73 Cb 0.05 -2.00 -0.02 0.00 1.10 0.00 0.00 33.01 32.13 2e9h s GLN 73 CO 0.17 -0.29 0.04 -0.06 -0.55 0.00 0.00 175.29 174.60 2e9h s PHE 74 N 1.55 3.06 -0.50 1.67 0.40 -1.26 -2.35 117.98 120.55 2e9h s PHE 74 Ca 0.04 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 2e9h s PHE 74 Cb -0.13 -2.21 0.16 0.00 0.51 0.00 0.00 43.02 41.34 2e9h s PHE 74 CO -0.09 -0.42 0.34 0.34 0.70 0.00 0.00 175.22 176.08 2e9h s ASP 75 N 1.57 3.19 0.42 1.36 -1.08 -1.02 -4.96 116.67 116.15 2e9h s ASP 75 Ca 0.06 -3.08 0.11 0.00 -0.52 0.00 0.00 52.55 49.12 2e9h s ASP 75 Cb -0.15 -0.96 0.94 0.00 -1.46 0.00 0.00 42.92 41.29 2e9h s ASP 75 CO 0.02 -0.19 2.01 0.58 0.52 0.00 0.00 175.17 178.11 2e9h h VAL 76 N 4.80 0.98 -0.42 1.11 2.07 -1.94 0.45 116.25 123.30 2e9h h VAL 76 Ca 0.13 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2e9h h VAL 76 Cb 0.88 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2e9h h VAL 76 CO 0.50 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 178.25 2e9h h LYS 77 N 0.50 0.06 -0.40 1.57 1.57 -1.96 -1.94 116.57 115.96 2e9h h LYS 77 Ca 0.23 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2e9h h LYS 77 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2e9h h LYS 77 CO -0.06 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 178.95 2e9h n ASN 78 N -5.25 4.04 -3.89 0.86 3.02 -0.87 -4.95 115.26 108.22 2e9h n ASN 78 Ca 0.03 -2.62 -0.29 0.00 -0.03 0.00 0.00 54.58 51.67 2e9h n ASN 78 Cb 0.23 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.24 -1.56 -4.58 6.41 5.75 0.15 -4.88 116.55 118.09 2e9h n ASP 79 Ca 0.21 -0.69 -0.35 0.00 -0.01 0.00 0.00 54.79 53.95 2e9h n ASP 79 Cb 0.81 -1.40 -0.11 0.00 -1.03 0.00 0.00 41.12 39.39 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 -6.52 3.86 -0.15 0.11 1.70 -0.79 -4.85 118.95 112.32 2e9h s ARG 80 Ca 0.57 -0.40 0.02 0.00 -0.47 0.00 0.00 55.73 55.45 2e9h s ARG 80 Cb -0.33 -3.18 0.01 0.00 -0.57 0.00 0.00 34.95 30.88 2e9h s ARG 80 CO 0.70 0.18 -0.21 0.71 -1.08 0.00 0.00 175.30 175.60 2e9h s TYR 81 N 0.60 2.64 0.21 5.89 1.51 -1.26 -2.45 117.35 124.49 2e9h s TYR 81 Ca 0.02 -1.37 0.10 0.00 -1.01 0.00 0.00 57.07 54.81 2e9h s TYR 81 Cb -0.13 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2e9h s TYR 81 CO 0.02 -0.64 -0.16 0.42 -1.11 0.00 0.00 175.55 174.07 2e9h s ILE 82 N 0.92 2.76 -0.14 2.71 1.01 -0.99 -2.70 121.20 124.78 2e9h s ILE 82 Ca -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 60.65 58.63 2e9h s ILE 82 Cb -0.15 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.00 2e9h s ILE 82 CO -0.04 -0.18 0.04 -0.69 0.00 0.00 0.00 174.94 174.07 2e9h s VAL 83 N -1.86 0.25 0.37 2.92 1.01 0.50 -1.97 120.40 121.62 2e9h s VAL 83 Ca 0.24 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 2e9h s VAL 83 Cb -0.08 -0.67 -0.11 0.00 0.00 0.00 0.00 36.38 35.52 2e9h s VAL 83 CO 0.13 -0.05 1.32 0.59 0.00 0.00 0.00 175.10 177.09 2e9h n ASN 84 N 5.17 2.91 0.00 3.32 4.13 -0.62 -0.99 115.26 129.18 2e9h n ASN 84 Ca -0.07 1.19 0.00 0.00 1.68 0.00 0.00 54.58 57.38 2e9h n ASN 84 Cb 0.49 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.21 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 85 N 0.72 2.35 3.65 7.41 0.00 -1.25 -4.73 105.19 113.33 2e9h n GLY 85 Ca 0.04 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 0.00 6.72 -0.14 1.61 1.04 -1.26 -2.01 113.70 119.67 2e9h s SER 86 Ca 0.00 0.88 -0.07 0.00 0.48 0.00 0.00 55.95 57.25 2e9h s SER 86 Cb 0.00 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.81 2e9h s SER 86 CO 0.00 -0.34 0.32 -1.00 0.98 0.00 0.00 173.24 173.20 2e9h s HIS 87 N 2.16 -0.48 0.26 5.02 3.76 -1.26 -5.00 115.29 119.74 2e9h s HIS 87 Ca 0.30 1.06 -0.29 0.00 -0.15 0.00 0.00 55.06 55.98 2e9h s HIS 87 Cb -0.16 0.12 -0.09 0.00 1.11 0.00 0.00 32.58 33.56 2e9h s HIS 87 CO 0.10 -0.32 0.95 -1.83 -0.85 0.00 0.00 174.74 172.79 2e9h s GLU 88 N 1.68 4.78 0.26 1.40 -1.05 -1.26 -4.82 118.70 119.69 2e9h s GLU 88 Ca -0.06 1.48 -0.10 0.00 -0.15 0.00 0.00 54.97 56.14 2e9h s GLU 88 Cb -0.10 -3.16 0.40 0.00 -0.44 0.00 0.00 34.13 30.82 2e9h s GLU 88 CO -0.10 0.44 1.50 0.00 0.95 0.00 0.00 175.26 178.04 2e9h n ALA 89 N 1.25 0.16 -0.26 -0.84 0.00 -1.26 0.03 120.51 119.59 2e9h n ALA 89 Ca -0.01 1.04 -0.03 0.00 0.00 0.00 0.00 53.44 54.44 2e9h n ALA 89 Cb 0.48 -0.59 0.03 0.00 0.00 0.00 0.00 19.45 19.37 2e9h n ALA 89 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2e9h h ASN 90 N 0.00 -1.13 0.31 0.00 2.35 -1.92 -0.68 115.58 114.50 2e9h h ASN 90 Ca 0.44 0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 56.43 2e9h h ASN 90 Cb 0.68 0.60 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 2e9h h ASN 90 CO -0.98 -0.29 -0.28 0.50 -1.65 0.00 0.00 177.43 174.73 2e9h h LYS 91 N -0.09 -0.59 -0.63 0.81 3.64 -0.77 -1.92 116.57 117.02 2e9h h LYS 91 Ca 0.29 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 2e9h h LYS 91 Cb 0.57 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.41 2e9h h LYS 91 CO -0.78 -0.39 -0.40 -0.07 -2.27 0.00 0.00 179.45 175.53 2e9h h LEU 92 N -0.61 -1.41 -1.49 5.20 3.38 -0.74 0.50 115.31 120.14 2e9h h LEU 92 Ca -0.02 0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.31 2e9h h LEU 92 Cb 0.55 0.66 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2e9h h LEU 92 CO -0.04 -0.32 0.48 -0.61 0.09 0.00 0.00 178.44 178.04 2e9h h GLN 93 N -0.18 0.53 -0.06 1.13 5.75 -1.00 0.19 115.11 121.47 2e9h h GLN 93 Ca 0.21 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 2e9h h GLN 93 Cb 0.56 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 2e9h h GLN 93 CO -0.72 0.35 0.00 0.22 -2.65 0.00 0.00 178.83 176.04 2e9h h ASP 94 N 0.55 0.11 0.35 -0.69 1.82 0.72 -2.76 116.42 116.52 2e9h h ASP 94 Ca 0.34 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 2e9h h ASP 94 Cb 0.59 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.58 2e9h h ASP 94 CO -0.12 0.38 -0.17 0.24 -1.61 0.00 0.00 179.24 177.96 2e9h h MET 95 N -0.16 -0.46 -0.96 0.28 2.86 -0.21 -3.18 114.93 113.10 2e9h h MET 95 Ca 0.02 0.03 0.28 0.00 -2.06 0.00 0.00 59.70 57.97 2e9h h MET 95 Cb 0.32 0.10 -0.17 0.00 0.06 0.00 0.00 31.60 31.91 2e9h h MET 95 CO 0.00 -0.14 0.13 1.25 1.06 0.00 0.00 176.91 179.21 2e9h h LEU 96 N -0.84 -0.29 -0.55 1.22 5.85 -0.73 -1.14 115.31 118.82 2e9h h LEU 96 Ca -0.05 0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2e9h h LEU 96 Cb 0.53 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 2e9h h LEU 96 CO 0.08 -0.32 -0.33 0.47 -0.34 0.00 0.00 178.44 178.00 2e9h n ASP 97 N -5.41 -0.59 -0.33 1.25 8.00 -1.04 0.30 116.55 118.73 2e9h n ASP 97 Ca 0.24 1.13 -0.00 0.00 0.71 0.00 0.00 54.79 56.87 2e9h n ASP 97 Cb 0.80 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.75 2e9h n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e9h n GLY 98 N -1.14 -1.76 0.49 0.44 0.00 -0.43 0.76 105.19 103.55 2e9h n GLY 98 Ca 0.01 0.98 -0.18 0.00 0.00 0.00 0.00 46.02 46.83 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 -1.43 0.00 1.61 3.57 -0.29 -1.06 116.94 119.34 2e9h h PHE 99 Ca 0.32 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 2e9h h PHE 99 Cb 0.54 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 2e9h h PHE 99 CO -0.76 -0.65 -0.00 0.82 -2.23 0.00 0.00 178.31 175.49 2e9h h ILE 100 N -0.93 0.36 -0.06 1.41 2.04 -0.59 0.89 117.51 120.63 2e9h h ILE 100 Ca -0.04 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2e9h h ILE 100 Cb 0.84 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2e9h h ILE 100 CO -0.13 0.00 0.06 0.50 0.00 0.00 0.00 178.15 178.58 2e9h h LYS 101 N 0.00 0.00 0.00 2.37 1.63 0.17 0.30 116.57 121.04 2e9h h LYS 101 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2e9h h LYS 101 Cb 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2e9h h LYS 101 CO 0.00 0.00 -0.06 0.36 -3.45 0.00 0.00 179.45 176.30 2e9h n LYS 102 N -4.02 0.00 0.33 1.90 2.85 -0.46 -4.23 118.16 114.53 2e9h n LYS 102 Ca -0.02 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.33 2e9h n LYS 102 Cb 0.16 -0.15 0.44 0.00 -0.65 0.00 0.00 35.03 34.83 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 0.56 -3.03 116.94 119.05 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 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 2e9h h PHE 103 CO 0.00 0.00 -0.35 0.28 -1.61 0.00 0.00 178.31 176.63 2e9h n VAL 104 N -2.72 0.76 -1.44 -0.55 0.31 -1.18 -4.94 118.33 108.56 2e9h n VAL 104 Ca -0.01 0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 64.27 2e9h n VAL 104 Cb 0.68 -1.51 0.08 0.00 -0.91 0.00 0.00 33.84 32.17 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 -6.62 2.90 -0.16 7.52 1.43 0.10 -4.21 118.68 119.64 2e9h s LEU 105 Ca 0.00 1.60 -0.09 0.00 -1.03 0.00 0.00 54.13 54.60 2e9h s LEU 105 Cb 0.00 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.85 2e9h s LEU 105 CO 0.00 -1.84 0.15 0.00 0.23 0.00 0.00 176.35 174.89 2e9h n PRO 107 N 2.90 0.49 0.00 0.00 -0.04 -1.26 0.15 135.00 137.24 2e9h n PRO 107 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2e9h n PRO 107 Cb 0.53 -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 -0.08 0.54 -0.58 -1.26 -4.84 120.64 113.72 2e9h n GLU 108 Ca 0.05 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.83 2e9h n GLU 108 Cb 0.02 -0.34 0.08 0.00 -0.57 0.00 0.00 31.44 30.63 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 0.28 -0.88 -3.74 0.00 2.13 0.41 -4.75 120.64 114.07 2e9h n GLU 110 Ca 0.07 0.10 -0.36 0.00 0.66 0.00 0.00 57.16 57.63 2e9h n GLU 110 Cb 0.31 -3.69 -0.07 0.00 0.27 0.00 0.00 31.44 28.26 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 -3.98 6.30 0.00 4.31 -0.87 -1.26 -4.36 114.94 115.07 2e9h s ASN 111 Ca 0.22 0.34 0.11 0.00 -1.57 0.00 0.00 52.86 51.97 2e9h s ASN 111 Cb -0.13 -2.10 0.66 0.00 -0.02 0.00 0.00 41.25 39.66 2e9h s ASN 111 CO 0.95 0.24 1.09 -0.81 -2.57 0.00 0.00 177.10 176.00 2e9h n PRO 112 N 3.06 0.49 -3.66 -0.60 -0.04 -1.26 -2.65 135.00 130.34 2e9h n PRO 112 Ca -0.17 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 2e9h n PRO 112 Cb 0.53 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 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 2.75 0.13 0.54 2.02 -1.26 -4.83 118.70 116.05 2e9h s GLU 113 Ca 0.16 -2.57 -0.01 0.00 0.02 0.00 0.00 54.97 52.57 2e9h s GLU 113 Cb 0.08 -3.84 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 2e9h s GLU 113 CO 0.13 -1.19 0.04 0.95 0.02 0.00 0.00 175.26 175.21 2e9h s THR 114 N -0.12 0.16 -0.04 3.63 -4.23 -1.26 -4.45 115.64 109.32 2e9h s THR 114 Ca 0.18 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2e9h s THR 114 Cb -0.18 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 2e9h s THR 114 CO -0.04 -0.51 -0.13 -1.81 -0.54 0.00 0.00 174.62 171.58 2e9h s ASP 115 N -3.05 4.12 -0.20 3.99 1.01 -0.73 -4.99 116.67 116.82 2e9h s ASP 115 Ca 0.23 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.28 2e9h s ASP 115 Cb 0.07 -0.88 0.01 0.00 1.01 0.00 0.00 42.92 43.14 2e9h s ASP 115 CO 0.01 0.33 -0.14 -0.76 0.21 0.00 0.00 175.17 174.82 2e9h s LEU 116 N -0.87 2.44 0.03 1.23 1.43 -1.26 -1.21 118.68 120.47 2e9h s LEU 116 Ca 0.12 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2e9h s LEU 116 Cb -0.11 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2e9h s LEU 116 CO 0.02 -0.01 -0.08 -1.00 0.23 0.00 0.00 176.35 175.51 2e9h s HIS 117 N 1.36 2.84 -0.04 0.29 3.76 0.15 -4.87 115.29 118.78 2e9h s HIS 117 Ca 0.05 -0.08 0.06 0.00 -0.15 0.00 0.00 55.06 54.94 2e9h s HIS 117 Cb -0.14 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 2e9h s HIS 117 CO -0.09 0.37 -0.21 0.54 -0.85 0.00 0.00 174.74 174.50 2e9h s VAL 118 N -1.04 1.74 -0.37 -0.90 0.11 -1.26 -0.91 120.40 117.77 2e9h s VAL 118 Ca 0.18 -0.91 -0.06 0.00 -2.93 0.00 0.00 61.98 58.27 2e9h s VAL 118 Cb -0.11 -1.47 0.07 0.00 -1.53 0.00 0.00 36.38 33.34 2e9h s VAL 118 CO 0.09 0.49 0.15 0.20 -3.33 0.00 0.00 175.10 172.70 2e9h s ASN 119 N -0.21 5.32 0.05 3.54 0.01 0.74 -4.95 114.94 119.44 2e9h s ASN 119 Ca 0.00 -1.44 0.16 0.00 -0.71 0.00 0.00 52.86 50.87 2e9h s ASN 119 Cb -0.11 -1.86 0.67 0.00 0.41 0.00 0.00 41.25 40.35 2e9h s ASN 119 CO 0.02 -0.41 1.50 -0.81 -1.51 0.00 0.00 177.10 175.88 2e9h n PRO 120 N 4.76 0.03 -0.07 -0.60 -0.04 -1.26 -1.14 135.00 136.68 2e9h n PRO 120 Ca -0.10 0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2e9h n PRO 120 Cb 0.43 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2e9h n PRO 120 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2e9h n LYS 121 N -1.63 0.45 -0.02 0.54 0.00 -1.26 -4.36 118.16 111.88 2e9h n LYS 121 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 58.31 58.70 2e9h n LYS 121 Cb 0.18 -1.49 0.01 0.00 0.00 0.00 0.00 35.03 33.73 2e9h n LYS 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2e9h n LYS 122 N -4.36 1.07 -4.30 1.64 4.76 -1.24 -4.87 118.16 110.86 2e9h n LYS 122 Ca -0.10 -0.09 -0.36 0.00 -2.87 0.00 0.00 58.31 54.89 2e9h n LYS 122 Cb 0.35 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.35 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e9h n GLN 123 N -0.35 -0.81 -4.52 1.97 3.00 -0.30 -4.90 117.38 111.48 2e9h n GLN 123 Ca 0.01 0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.87 2e9h n GLN 123 Cb 0.07 -4.01 -0.10 0.00 0.00 0.00 0.00 30.24 26.20 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2e9h s THR 124 N -3.56 1.09 -0.10 5.09 -4.23 -1.06 -4.95 115.64 107.92 2e9h s THR 124 Ca 0.49 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 2e9h s THR 124 Cb -0.28 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 70.97 2e9h s THR 124 CO 0.95 0.00 0.05 -0.63 -0.54 0.00 0.00 174.62 174.45 2e9h s ILE 125 N -3.18 0.10 -0.04 2.99 1.01 -1.26 -0.19 121.20 120.63 2e9h s ILE 125 Ca 0.30 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.05 2e9h s ILE 125 Cb 0.06 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 2e9h s ILE 125 CO 0.14 0.03 -0.12 -0.83 0.00 0.00 0.00 174.94 174.16 2e9h s GLY 126 N 2.07 1.60 0.06 6.18 0.00 -0.09 0.76 107.32 117.90 2e9h s GLY 126 Ca 0.03 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.84 2e9h s GLY 126 CO -0.06 -0.77 -0.12 0.54 0.00 0.00 0.00 173.10 172.69 2e9h s ASN 127 N -0.86 4.26 -0.10 1.64 4.22 -1.15 0.34 114.94 123.29 2e9h s ASN 127 Ca 0.12 -0.34 -0.01 0.00 -2.14 0.00 0.00 52.86 50.49 2e9h s ASN 127 Cb -0.11 -0.82 0.03 0.00 1.28 0.00 0.00 41.25 41.63 2e9h s ASN 127 CO 0.02 0.23 -0.05 -0.94 -2.04 0.00 0.00 177.10 174.31 2e9h s SER 128 N -1.78 1.94 0.23 3.54 1.04 -0.35 -2.94 113.70 115.37 2e9h s SER 128 Ca 0.18 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.45 2e9h s SER 128 Cb -0.11 -0.70 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 2e9h s SER 128 CO 0.10 -0.13 0.21 0.00 0.98 0.00 0.00 173.24 174.39 2e9h n LYS 130 N -1.00 0.73 -0.33 0.00 3.00 -1.26 -3.53 118.16 115.77 2e9h n LYS 130 Ca -0.08 0.03 0.12 0.00 -0.00 0.00 0.00 58.31 58.38 2e9h n LYS 130 Cb 0.57 -1.14 0.25 0.00 0.00 0.00 0.00 35.03 34.71 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 0.05 1.06 0.00 3.14 0.00 -1.97 -3.24 119.26 118.31 2e9h h ALA 131 Ca -0.15 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2e9h h ALA 131 Cb 1.26 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 2e9h h ALA 131 CO -0.02 -0.52 -1.10 0.00 0.00 0.00 0.00 179.25 177.61 2e9h n GLY 133 N 3.36 0.83 3.66 0.00 0.00 -1.22 -5.10 105.19 106.72 2e9h n GLY 133 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.32 3.35 -0.13 1.61 6.14 -1.24 -4.90 117.35 120.86 2e9h s TYR 134 Ca 0.00 0.50 -0.01 0.00 0.64 0.00 0.00 57.07 58.20 2e9h s TYR 134 Cb 0.00 -2.47 0.04 0.00 0.42 0.00 0.00 41.96 39.95 2e9h s TYR 134 CO 0.00 -0.01 -0.03 1.03 0.64 0.00 0.00 175.55 177.18 2e9h s ARG 135 N 1.32 1.06 0.00 4.97 3.00 -1.26 -1.49 118.95 126.55 2e9h s ARG 135 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 55.73 55.64 2e9h s ARG 135 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 34.95 33.19 2e9h s ARG 135 CO 0.07 -0.39 0.00 0.41 0.00 0.00 0.00 175.30 175.39 2e9h n GLY 136 N 5.00 4.15 2.96 -3.53 0.00 -1.15 -5.04 105.19 107.59 2e9h n GLY 136 Ca -0.10 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 1.25 1.87 0.13 1.61 0.23 -1.26 -2.93 119.30 120.20 2e9h s MET 137 Ca 0.00 -0.56 -0.31 0.00 -1.03 0.00 0.00 55.69 53.79 2e9h s MET 137 Cb 0.00 -2.06 -0.08 0.00 -1.53 0.00 0.00 34.83 31.15 2e9h s MET 137 CO 0.00 -0.34 1.42 -0.51 -2.03 0.00 0.00 175.02 173.56 2e9h s LEU 138 N 1.54 4.37 -0.79 0.18 1.43 0.23 -4.85 118.68 120.80 2e9h s LEU 138 Ca 0.02 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.29 2e9h s LEU 138 Cb -0.14 -3.59 -0.18 0.00 0.03 0.00 0.00 46.19 42.31 2e9h s LEU 138 CO -0.09 -0.68 2.42 -0.90 0.23 0.00 0.00 176.35 177.33 2e9h n ASP 139 N 3.83 0.97 -2.98 2.29 5.75 -1.26 -4.33 116.55 120.82 2e9h n ASP 139 Ca 0.11 -0.68 -0.42 0.00 -0.01 0.00 0.00 54.79 53.79 2e9h n ASP 139 Cb 0.41 -1.26 -0.08 0.00 -1.03 0.00 0.00 41.12 39.17 2e9h n ASP 139 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2e9h n THR 140 N 7.63 0.00 -0.20 2.12 -2.24 -1.26 -4.85 114.28 115.47 2e9h n THR 140 Ca 0.52 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.22 2e9h n THR 140 Cb 0.32 -0.34 0.08 0.00 -2.10 0.00 0.00 70.33 68.30 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 4.58 -1.94 -0.03 4.78 -0.00 -1.26 -4.99 115.22 116.36 2e9h n HIS 141 Ca 0.34 -0.10 -0.02 0.00 0.46 0.00 0.00 57.72 58.39 2e9h n HIS 141 Cb -0.03 -0.61 -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 1.58 0.46 0.00 0.00 176.34 178.38 2e9h n HIS 142 N -3.59 0.29 -0.10 1.57 -0.00 -1.26 -4.59 115.22 107.54 2e9h n HIS 142 Ca 0.04 0.13 -0.13 0.00 0.46 0.00 0.00 57.72 58.22 2e9h n HIS 142 Cb 0.17 -0.40 -0.05 0.00 -0.12 0.00 0.00 29.99 29.60 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2e9h n LYS 143 N -3.24 0.53 -0.30 1.57 3.00 -1.26 -4.49 118.16 113.96 2e9h n LYS 143 Ca -0.04 0.31 0.10 0.00 -0.00 0.00 0.00 58.31 58.68 2e9h n LYS 143 Cb 0.13 -1.52 0.20 0.00 0.00 0.00 0.00 35.03 33.85 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 -4.45 -0.18 -0.34 3.14 7.94 -1.26 0.81 117.00 122.65 2e9h n LEU 144 Ca -0.22 1.47 0.11 0.00 -1.11 0.00 0.00 56.01 56.27 2e9h n LEU 144 Cb 0.55 -0.50 0.23 0.00 0.53 0.00 0.00 43.42 44.23 2e9h n LEU 144 CO 0.15 -1.46 0.76 0.00 -1.11 0.00 0.00 177.39 175.73 2e9h h THR 146 N 0.01 0.67 0.13 0.00 2.02 0.16 0.11 112.91 116.01 2e9h h THR 146 Ca 0.55 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.67 2e9h h THR 146 Cb 1.04 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2e9h h THR 146 CO -0.94 0.03 -0.06 0.15 0.37 0.00 0.00 175.52 175.07 2e9h h PHE 147 N 0.14 -0.16 -0.67 3.16 3.04 -0.11 -0.83 116.94 121.51 2e9h h PHE 147 Ca 0.23 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.28 2e9h h PHE 147 Cb 0.32 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 38.80 2e9h h PHE 147 CO -0.27 0.07 0.26 0.82 -2.02 0.00 0.00 178.31 177.17 2e9h h ILE 148 N -0.37 0.73 0.32 1.41 2.04 -0.67 0.19 117.51 121.15 2e9h h ILE 148 Ca -0.02 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2e9h h ILE 148 Cb 0.30 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2e9h h ILE 148 CO 0.03 0.08 -0.15 -0.07 0.00 0.00 0.00 178.15 178.04 2e9h h LEU 149 N 0.43 -0.36 -0.64 1.44 3.38 -0.70 -3.03 115.31 115.83 2e9h h LEU 149 Ca 0.35 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.32 2e9h h LEU 149 Cb 0.47 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 2e9h h LEU 149 CO -0.34 -0.08 0.14 0.11 0.09 0.00 0.00 178.44 178.35 2e9h h LYS 150 N -0.65 0.25 -4.34 1.13 1.79 -0.71 -3.35 116.57 110.70 2e9h h LYS 150 Ca -0.04 -0.02 -0.63 0.00 -2.18 0.00 0.00 60.65 57.78 2e9h h LYS 150 Cb 0.46 -0.06 -0.39 0.00 -1.58 0.00 0.00 32.23 30.66 2e9h h LYS 150 CO 0.07 0.17 -0.75 0.54 -1.08 0.00 0.00 179.45 178.40 2e9h s ASN 151 N -5.28 4.38 1.01 0.86 2.20 0.02 -5.10 114.94 113.03 2e9h s ASN 151 Ca -0.13 -1.79 -0.13 0.00 -0.94 0.00 0.00 52.86 49.87 2e9h s ASN 151 Cb 0.19 -1.34 0.20 0.00 -2.00 0.00 0.00 41.25 38.30 2e9h s ASN 151 CO 0.74 -0.35 1.09 -2.16 -2.94 0.00 0.00 177.10 173.49 2e9h s PRO 152 N 1.20 0.30 0.65 3.55 0.04 -1.15 -4.48 135.00 135.10 2e9h s PRO 152 Ca 0.06 0.48 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 2e9h s PRO 152 Cb -0.19 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 2e9h s PRO 152 CO -0.12 -2.81 1.11 -1.25 0.04 0.00 0.00 177.00 173.97 2e9h s PRO 153 N -4.96 2.85 0.60 0.56 0.04 -1.26 -5.01 135.00 127.81 2e9h s PRO 153 Ca 0.66 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 2e9h s PRO 153 Cb -0.19 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2e9h s PRO 153 CO 0.58 -1.22 1.10 -2.00 0.04 0.00 0.00 177.00 175.51 2e9h s GLU 154 N -4.02 3.10 -0.33 4.56 2.12 -1.26 -4.98 118.70 117.88 2e9h s GLU 154 Ca 0.67 1.43 0.07 0.00 0.36 0.00 0.00 54.97 57.51 2e9h s GLU 154 Cb -0.21 -1.99 0.45 0.00 0.26 0.00 0.00 34.13 32.64 2e9h s GLU 154 CO 0.40 -1.02 1.16 -1.71 -0.54 0.00 0.00 175.26 173.55 2e9h n ASN 155 N -1.94 4.68 -4.66 -1.70 2.85 -1.26 -5.05 115.26 108.18 2e9h n ASN 155 Ca 0.10 -3.66 -0.42 0.00 -0.11 0.00 0.00 54.58 50.49 2e9h n ASN 155 Cb 0.52 -0.38 -0.03 0.00 1.24 0.00 0.00 39.78 41.13 2e9h n ASN 155 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2e9h s SER 156 N -3.58 6.67 0.00 1.20 0.01 -1.26 -5.36 113.70 111.37 2e9h s SER 156 Ca 0.49 2.25 0.25 0.00 1.31 0.00 0.00 55.95 60.24 2e9h s SER 156 Cb 0.40 -2.54 1.47 0.00 0.21 0.00 0.00 66.02 65.57 2e9h s SER 156 CO -0.03 -0.92 1.83 -0.67 0.41 0.00 0.00 173.24 173.86