#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 7.44 -0.23 1.61 1.04 -1.26 -5.04 113.70 117.26 2e9h s SER 2 Ca 0.00 1.71 -0.28 0.00 0.48 0.00 0.00 55.95 57.86 2e9h s SER 2 Cb 0.00 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.72 2e9h s SER 2 CO 0.00 0.05 1.14 -0.55 0.98 0.00 0.00 173.24 174.86 2e9h s SER 3 N -0.45 -0.28 0.14 7.02 0.15 -1.26 -5.18 113.70 113.85 2e9h s SER 3 Ca 0.42 0.39 0.11 0.00 0.70 0.00 0.00 55.95 57.56 2e9h s SER 3 Cb -0.23 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.38 2e9h s SER 3 CO 0.28 -0.19 -0.26 -0.83 1.20 0.00 0.00 173.24 173.44 2e9h s GLY 4 N -0.65 1.59 -0.52 9.45 0.00 -1.26 -5.10 107.32 110.84 2e9h s GLY 4 Ca 0.03 -1.50 -0.20 0.00 0.00 0.00 0.00 44.72 43.04 2e9h s GLY 4 CO -0.04 -1.50 0.71 -0.45 0.00 0.00 0.00 173.10 171.82 2e9h s SER 5 N -2.21 6.26 0.00 1.64 0.15 -1.26 -4.89 113.70 113.39 2e9h s SER 5 Ca 0.15 -0.75 0.18 0.00 0.70 0.00 0.00 55.95 56.24 2e9h s SER 5 Cb -0.09 -2.33 1.10 0.00 -1.71 0.00 0.00 66.02 62.99 2e9h s SER 5 CO 0.07 -0.98 1.51 -1.54 1.20 0.00 0.00 173.24 173.50 2e9h n SER 6 N 6.52 0.00 0.00 5.45 3.41 -1.26 -4.90 113.62 122.84 2e9h n SER 6 Ca -0.04 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2e9h n SER 6 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2e9h n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e9h n GLY 7 N 0.28 2.67 3.70 5.00 0.00 -1.26 -5.13 105.19 110.45 2e9h n GLY 7 Ca 0.14 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 2e9h n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2e9h s MET 8 N -2.02 2.96 -0.24 1.61 -2.45 -1.26 -5.11 119.30 112.79 2e9h s MET 8 Ca 0.00 -0.45 -0.22 0.00 -1.25 0.00 0.00 55.69 53.77 2e9h s MET 8 Cb 0.00 -2.79 0.06 0.00 1.25 0.00 0.00 34.83 33.35 2e9h s MET 8 CO 0.00 0.68 0.64 -1.12 1.05 0.00 0.00 175.02 176.27 2e9h s SER 9 N -1.16 -0.67 0.34 1.11 0.01 -1.26 -4.64 113.70 107.44 2e9h s SER 9 Ca 0.16 1.28 0.04 0.00 1.31 0.00 0.00 55.95 58.75 2e9h s SER 9 Cb -0.11 1.30 -0.01 0.00 0.21 0.00 0.00 66.02 67.40 2e9h s SER 9 CO 0.06 -0.22 0.50 0.68 0.41 0.00 0.00 173.24 174.67 2e9h s VAL 10 N 0.36 4.36 0.55 3.43 -7.23 -0.89 -4.87 120.40 116.11 2e9h s VAL 10 Ca -0.00 -0.84 -0.21 0.00 -1.81 0.00 0.00 61.98 59.12 2e9h s VAL 10 Cb -0.04 -3.54 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 2e9h s VAL 10 CO 0.00 -0.26 1.33 0.20 -0.31 0.00 0.00 175.10 176.06 2e9h s ASN 11 N -4.14 5.26 0.34 4.85 -0.87 -1.26 -1.97 114.94 117.16 2e9h s ASN 11 Ca 0.43 2.70 0.12 0.00 -1.57 0.00 0.00 52.86 54.53 2e9h s ASN 11 Cb -0.10 -2.63 0.93 0.00 -0.02 0.00 0.00 41.25 39.43 2e9h s ASN 11 CO 0.33 -1.57 1.75 0.58 -2.57 0.00 0.00 177.10 175.62 2e9h h VAL 12 N 1.36 0.55 -3.37 1.60 2.07 -1.90 -3.28 116.25 113.29 2e9h h VAL 12 Ca -0.51 -0.19 -0.63 0.00 0.82 0.00 0.00 66.70 66.19 2e9h h VAL 12 Cb 1.30 -0.05 -0.40 0.00 -1.52 0.00 0.00 31.29 30.62 2e9h h VAL 12 CO 0.57 0.10 -0.70 0.20 0.02 0.00 0.00 177.57 177.76 2e9h s ASN 13 N -5.25 4.29 0.55 0.57 0.01 -1.26 -4.96 114.94 108.89 2e9h s ASN 13 Ca -0.10 -2.43 0.35 0.00 -0.71 0.00 0.00 52.86 49.97 2e9h s ASN 13 Cb 0.26 -1.39 1.21 0.00 0.41 0.00 0.00 41.25 41.75 2e9h s ASN 13 CO 0.80 -0.32 1.33 0.54 -1.51 0.00 0.00 177.10 177.94 2e9h n ARG 14 N 3.86 0.01 -0.14 -0.60 5.12 -1.24 0.83 116.66 124.50 2e9h n ARG 14 Ca 0.04 0.99 -0.04 0.00 -1.93 0.00 0.00 57.85 56.91 2e9h n ARG 14 Cb 0.37 -2.37 0.05 0.00 -1.16 0.00 0.00 32.46 29.35 2e9h n ARG 14 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2e9h h SER 15 N 0.00 0.08 -3.43 0.55 4.64 -1.92 -3.41 113.55 110.05 2e9h h SER 15 Ca 0.66 0.07 -0.52 0.00 -0.47 0.00 0.00 61.79 61.52 2e9h h SER 15 Cb 3.13 0.07 0.04 0.00 -0.31 0.00 0.00 62.40 65.34 2e9h h SER 15 CO -0.01 0.07 0.69 0.54 -0.87 0.00 0.00 176.83 177.26 2e9h s VAL 16 N -6.15 2.96 -0.59 0.95 0.11 0.24 -4.96 120.40 112.96 2e9h s VAL 16 Ca -0.13 0.81 0.05 0.00 -2.93 0.00 0.00 61.98 59.78 2e9h s VAL 16 Cb 0.14 -3.52 0.34 0.00 -1.53 0.00 0.00 36.38 31.81 2e9h s VAL 16 CO 0.72 0.13 0.97 -1.20 -3.33 0.00 0.00 175.10 172.39 2e9h n SER 17 N 2.33 4.56 -4.02 3.54 7.64 -1.26 -4.94 113.62 121.47 2e9h n SER 17 Ca 0.06 -3.68 -0.16 0.00 1.01 0.00 0.00 58.87 56.09 2e9h n SER 17 Cb 0.42 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.90 2e9h n SER 17 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2e9h s ASP 18 N -3.40 0.89 -0.45 6.43 2.15 -1.26 -5.04 116.67 115.99 2e9h s ASP 18 Ca 0.49 -0.27 -0.01 0.00 0.43 0.00 0.00 52.55 53.18 2e9h s ASP 18 Cb 0.27 -0.05 0.29 0.00 -0.30 0.00 0.00 42.92 43.13 2e9h s ASP 18 CO -0.14 -0.00 2.05 0.00 -0.17 0.00 0.00 175.17 176.91 2e9h n GLN 19 N 2.40 2.13 0.00 4.34 0.00 -1.26 -3.98 117.38 121.01 2e9h n GLN 19 Ca -0.16 -2.19 0.00 0.00 0.00 0.00 0.00 57.00 54.65 2e9h n GLN 19 Cb 0.57 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.94 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 -0.06 0.00 -1.38 2.61 3.01 -1.26 -5.01 117.46 115.37 2e9h n PHE 20 Ca 0.42 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.48 2e9h n PHE 20 Cb 0.60 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.93 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 -1.95 0.56 0.00 1.38 4.19 -1.26 -4.80 117.16 115.28 2e9h n TYR 21 Ca 0.00 0.38 0.00 0.00 3.31 0.00 0.00 57.90 61.59 2e9h n TYR 21 Cb 0.42 -2.21 0.00 0.00 0.49 0.00 0.00 39.34 38.03 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 7.86 0.00 -1.67 2.98 0.00 -1.26 -4.60 116.66 119.96 2e9h n ARG 22 Ca 0.61 0.60 -0.45 0.00 -0.00 0.00 0.00 57.85 58.60 2e9h n ARG 22 Cb 0.02 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 30.99 2e9h n ARG 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2e9h n TYR 23 N -2.14 2.22 -3.98 -0.14 4.01 -1.26 -4.99 117.16 110.87 2e9h n TYR 23 Ca 0.00 0.37 -0.08 0.00 -0.16 0.00 0.00 57.90 58.03 2e9h n TYR 23 Cb 0.00 -2.49 -0.09 0.00 -0.31 0.00 0.00 39.34 36.45 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 0.08 0.79 -0.01 -0.72 1.02 -1.26 -3.89 119.74 115.75 2e9h s LYS 24 Ca 0.72 -1.12 -0.00 0.00 0.02 0.00 0.00 55.97 55.59 2e9h s LYS 24 Cb -0.66 0.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.95 2e9h s LYS 24 CO 0.45 -0.22 0.02 0.00 -0.92 0.00 0.00 175.35 174.68 2e9h s MET 25 N -3.91 -0.00 0.27 1.68 0.23 -0.83 -4.90 119.30 111.84 2e9h s MET 25 Ca 0.09 0.07 -0.29 0.00 -1.03 0.00 0.00 55.69 54.52 2e9h s MET 25 Cb 0.06 -0.07 -0.10 0.00 -1.53 0.00 0.00 34.83 33.20 2e9h s MET 25 CO -0.09 -0.05 1.26 -1.25 -2.03 0.00 0.00 175.02 172.86 2e9h s PRO 26 N 0.32 4.44 0.06 3.16 0.04 -1.26 -2.10 135.00 139.65 2e9h s PRO 26 Ca -0.03 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2e9h s PRO 26 Cb -0.04 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.26 2e9h s PRO 26 CO -0.01 -0.11 1.90 0.54 0.04 0.00 0.00 177.00 179.36 2e9h n ARG 27 N 1.54 2.74 -1.76 4.56 1.74 -1.26 -4.72 116.66 119.50 2e9h n ARG 27 Ca 0.02 1.00 -0.40 0.00 -0.77 0.00 0.00 57.85 57.69 2e9h n ARG 27 Cb 0.43 -2.91 0.01 0.00 -1.02 0.00 0.00 32.46 28.97 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 6.59 4.85 -4.67 0.55 -0.00 -1.26 -5.00 117.00 118.05 2e9h n LEU 28 Ca 0.20 1.15 -0.35 0.00 -0.00 0.00 0.00 56.01 57.01 2e9h n LEU 28 Cb 0.38 -1.59 -0.10 0.00 -0.00 0.00 0.00 43.42 42.11 2e9h n LEU 28 CO 0.68 -0.15 -0.32 -0.63 -0.00 0.00 0.00 177.39 176.97 2e9h s ILE 29 N -1.17 4.24 0.06 1.47 1.01 -1.26 -4.94 121.20 120.61 2e9h s ILE 29 Ca 0.59 -0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.05 2e9h s ILE 29 Cb -0.47 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2e9h s ILE 29 CO 0.59 0.60 -0.24 0.00 0.00 0.00 0.00 174.94 175.90 2e9h s ALA 30 N -0.88 2.39 -0.02 9.38 0.00 -1.26 -2.28 121.76 129.09 2e9h s ALA 30 Ca 0.13 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.86 2e9h s ALA 30 Cb -0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2e9h s ALA 30 CO 0.02 0.55 -0.19 0.21 0.00 0.00 0.00 175.76 176.35 2e9h s LYS 31 N -1.49 1.70 0.02 0.00 2.20 0.25 -4.87 119.74 117.55 2e9h s LYS 31 Ca 0.13 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2e9h s LYS 31 Cb -0.10 -1.58 -0.02 0.00 -1.51 0.00 0.00 37.83 34.62 2e9h s LYS 31 CO 0.04 0.38 -0.06 0.08 -0.36 0.00 0.00 175.35 175.42 2e9h s VAL 32 N -0.32 0.44 -0.07 4.02 1.01 -1.26 -0.26 120.40 123.96 2e9h s VAL 32 Ca 0.04 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2e9h s VAL 32 Cb -0.09 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2e9h s VAL 32 CO 0.00 -0.22 0.17 -1.83 0.00 0.00 0.00 175.10 173.23 2e9h s GLU 33 N -1.05 0.16 0.08 2.72 4.04 -1.26 -5.02 118.70 118.37 2e9h s GLU 33 Ca -0.06 0.35 0.00 0.00 0.04 0.00 0.00 54.97 55.29 2e9h s GLU 33 Cb -0.07 -0.06 0.00 0.00 0.02 0.00 0.00 34.13 34.02 2e9h s GLU 33 CO 0.00 -0.11 0.00 0.41 -1.84 0.00 0.00 175.26 173.72 2e9h n GLY 34 N 3.72 -2.43 2.71 -3.83 0.00 -1.26 -3.71 105.19 100.38 2e9h n GLY 34 Ca -0.21 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 2e9h n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9h s LYS 35 N -2.75 0.74 0.00 1.61 2.20 -1.26 -4.37 119.74 115.90 2e9h s LYS 35 Ca 0.00 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 2e9h s LYS 35 Cb 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.36 2e9h s LYS 35 CO 0.00 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 2e9h n GLY 36 N 4.71 2.63 1.77 5.54 0.00 -1.26 -4.79 105.19 113.78 2e9h n GLY 36 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2e9h n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e9h n ASN 37 N 0.76 5.20 0.00 1.61 4.13 -1.26 -4.53 115.26 121.17 2e9h n ASN 37 Ca 0.00 -2.95 0.00 0.00 1.68 0.00 0.00 54.58 53.31 2e9h n ASN 37 Cb 0.00 -0.89 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 38 N 0.07 1.99 3.66 7.41 0.00 -1.26 -4.99 105.19 112.07 2e9h n GLY 38 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 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 4.18 0.04 -0.61 2.07 -1.24 -4.81 121.20 118.82 2e9h s ILE 39 Ca 0.00 1.44 0.00 0.00 -1.41 0.00 0.00 60.65 60.68 2e9h s ILE 39 Cb 0.00 -3.93 -0.03 0.00 0.13 0.00 0.00 42.46 38.64 2e9h s ILE 39 CO 0.00 -0.11 -0.04 -1.59 -1.91 0.00 0.00 174.94 171.29 2e9h s LYS 40 N 3.41 0.45 -0.28 3.50 -2.85 -1.26 -3.58 119.74 119.13 2e9h s LYS 40 Ca 0.57 -0.81 -0.13 0.00 -1.00 0.00 0.00 55.97 54.59 2e9h s LYS 40 Cb -0.24 0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.53 2e9h s LYS 40 CO 0.17 -0.04 0.30 0.99 0.10 0.00 0.00 175.35 176.88 2e9h s THR 41 N -2.11 5.23 -0.27 3.79 2.01 -0.38 -4.04 115.64 119.86 2e9h s THR 41 Ca -0.08 0.40 -0.06 0.00 0.31 0.00 0.00 61.69 62.26 2e9h s THR 41 Cb -0.05 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.82 2e9h s THR 41 CO -0.03 0.18 0.04 -0.69 -0.69 0.00 0.00 174.62 173.43 2e9h s VAL 42 N 1.95 3.72 -1.23 3.82 1.01 0.65 0.49 120.40 130.81 2e9h s VAL 42 Ca 0.12 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 2e9h s VAL 42 Cb -0.16 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.38 2e9h s VAL 42 CO 0.10 0.16 1.73 -0.63 0.00 0.00 0.00 175.10 176.46 2e9h s ILE 43 N 1.47 3.98 0.08 2.22 1.01 -1.10 -0.58 121.20 128.29 2e9h s ILE 43 Ca 0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 60.65 58.84 2e9h s ILE 43 Cb -0.17 -5.05 -0.13 0.00 0.01 0.00 0.00 42.46 37.13 2e9h s ILE 43 CO 0.01 -1.83 1.45 0.58 0.00 0.00 0.00 174.94 175.15 2e9h h VAL 44 N 5.89 0.00 0.00 2.92 2.07 -1.73 -2.31 116.25 123.09 2e9h h VAL 44 Ca 0.37 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.71 2e9h h VAL 44 Cb 0.91 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 2e9h h VAL 44 CO 1.41 0.00 -0.36 -3.20 0.02 0.00 0.00 177.57 175.44 2e9h n ASN 45 N -4.92 5.15 -0.07 0.57 5.15 -1.23 -4.33 115.26 115.57 2e9h n ASN 45 Ca -0.08 -2.46 -0.12 0.00 -0.60 0.00 0.00 54.58 51.32 2e9h n ASN 45 Cb 0.35 -1.39 -0.09 0.00 -0.53 0.00 0.00 39.78 38.12 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 3.00 0.00 -0.61 1.20 1.85 -1.71 -3.25 114.93 115.42 2e9h h MET 46 Ca 0.18 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.18 2e9h h MET 46 Cb 1.48 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.49 2e9h h MET 46 CO 0.23 0.74 0.01 0.28 -0.40 0.00 0.00 176.91 177.77 2e9h h VAL 47 N -1.00 1.26 0.04 -5.77 2.07 -1.84 -2.55 116.25 108.47 2e9h h VAL 47 Ca -0.06 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2e9h h VAL 47 Cb 0.82 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2e9h h VAL 47 CO -0.03 0.41 -0.05 0.44 0.02 0.00 0.00 177.57 178.36 2e9h h ASP 48 N 0.97 -0.15 -0.95 0.57 3.32 -1.87 0.37 116.42 118.68 2e9h h ASP 48 Ca 0.18 0.01 0.22 0.00 0.02 0.00 0.00 57.03 57.45 2e9h h ASP 48 Cb 0.54 0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.02 2e9h h ASP 48 CO 0.03 -0.06 0.52 -0.37 -1.72 0.00 0.00 179.24 177.63 2e9h h VAL 49 N -0.09 0.57 -0.31 -1.35 -1.51 -1.63 -0.15 116.25 111.78 2e9h h VAL 49 Ca -0.00 -0.19 0.03 0.00 -1.23 0.00 0.00 66.70 65.30 2e9h h VAL 49 Cb 0.09 -0.04 -0.03 0.00 -2.13 0.00 0.00 31.29 29.17 2e9h h VAL 49 CO -0.01 0.10 0.11 0.00 -1.23 0.00 0.00 177.57 176.54 2e9h h ALA 50 N 1.69 0.35 -0.91 5.19 0.00 -1.08 -2.17 119.26 122.33 2e9h h ALA 50 Ca 0.58 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.63 2e9h h ALA 50 Cb 1.04 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2e9h h ALA 50 CO -0.46 -0.29 0.54 0.87 0.00 0.00 0.00 179.25 179.92 2e9h h LYS 51 N 0.25 0.85 -0.42 0.00 1.57 0.96 0.04 116.57 119.83 2e9h h LYS 51 Ca 0.14 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2e9h h LYS 51 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2e9h h LYS 51 CO -0.13 0.57 0.28 0.00 -0.57 0.00 0.00 179.45 179.59 2e9h h ALA 52 N 1.50 1.78 -0.34 3.86 0.00 -1.05 0.21 119.26 125.22 2e9h h ALA 52 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2e9h h ALA 52 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2e9h h ALA 52 CO -0.26 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.45 2e9h n LEU 53 N -4.48 3.17 -1.88 0.00 4.77 -0.05 -4.87 117.00 113.65 2e9h n LEU 53 Ca 0.04 -1.60 -0.08 0.00 -0.03 0.00 0.00 56.01 54.34 2e9h n LEU 53 Cb 0.12 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2e9h n LEU 53 CO 0.35 0.48 -0.09 0.59 -1.33 0.00 0.00 177.39 177.38 2e9h n ASN 54 N 0.43 -2.59 -4.14 -1.43 4.13 0.06 -4.90 115.26 106.82 2e9h n ASN 54 Ca 0.15 0.25 -0.18 0.00 1.68 0.00 0.00 54.58 56.48 2e9h n ASN 54 Cb 0.64 -2.40 -0.12 0.00 -1.54 0.00 0.00 39.78 36.36 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2e9h s ARG 55 N -3.92 0.79 0.61 3.52 1.81 -0.88 -5.02 118.95 115.86 2e9h s ARG 55 Ca 0.00 -0.85 -0.17 0.00 -1.72 0.00 0.00 55.73 52.99 2e9h s ARG 55 Cb 0.00 -0.76 -0.02 0.00 -0.45 0.00 0.00 34.95 33.72 2e9h s ARG 55 CO 0.00 0.17 1.12 -1.25 -0.68 0.00 0.00 175.30 174.66 2e9h s PRO 56 N -1.51 3.02 0.23 3.54 0.04 -1.26 -3.70 135.00 135.35 2e9h s PRO 56 Ca -0.02 1.47 0.22 0.00 0.04 0.00 0.00 61.00 62.71 2e9h s PRO 56 Cb -0.09 -1.97 0.94 0.00 0.04 0.00 0.00 34.50 33.42 2e9h s PRO 56 CO 0.02 -1.09 1.68 -0.35 0.04 0.00 0.00 177.00 177.30 2e9h n PRO 57 N -1.99 0.17 0.21 0.56 -0.04 -1.26 -2.70 135.00 129.95 2e9h n PRO 57 Ca 0.11 0.41 0.05 0.00 -0.04 0.00 0.00 63.50 64.03 2e9h n PRO 57 Cb 0.52 -1.83 0.47 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.09 0.48 0.52 1.35 -1.96 0.20 112.91 114.59 2e9h h THR 58 Ca 0.00 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.91 2e9h h THR 58 Cb 0.35 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2e9h h THR 58 CO 0.00 0.26 -0.23 1.88 -0.25 0.00 0.00 175.52 177.18 2e9h h TYR 59 N 0.00 -0.60 0.06 4.73 0.05 -1.90 -3.06 116.97 116.25 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 0.49 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.43 2e9h h TYR 59 CO 0.00 -0.30 -0.03 -1.00 -1.05 0.00 0.00 178.16 175.79 2e9h h PRO 60 N -1.08 -0.07 -0.84 4.88 0.13 -1.72 -3.11 132.00 130.20 2e9h h PRO 60 Ca -0.07 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.24 2e9h h PRO 60 Cb 0.57 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.56 2e9h h PRO 60 CO 0.11 0.39 -0.21 1.15 -0.23 0.00 0.00 178.00 179.20 2e9h h THR 61 N -0.56 0.16 0.00 1.56 2.02 -0.74 1.17 112.91 116.51 2e9h h THR 61 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 2e9h h THR 61 Cb 0.49 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2e9h h THR 61 CO 0.01 0.00 -0.14 0.50 0.37 0.00 0.00 175.52 176.27 2e9h h LYS 62 N -0.00 0.00 -0.04 6.66 1.63 -1.59 -2.79 116.57 120.43 2e9h h LYS 62 Ca 0.40 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.19 2e9h h LYS 62 Cb 0.61 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2e9h h LYS 62 CO -0.87 0.14 -0.01 -0.92 -3.45 0.00 0.00 179.45 174.34 2e9h h TYR 63 N 0.00 0.10 -0.32 1.91 3.20 0.14 -1.96 116.97 120.04 2e9h h TYR 63 Ca -0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 2e9h h TYR 63 Cb 0.25 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 2e9h h TYR 63 CO 0.00 0.42 -0.31 0.74 -1.64 0.00 0.00 178.16 177.37 2e9h h PHE 64 N -0.26 -0.86 -0.41 -3.82 0.04 -0.96 -0.47 116.94 110.20 2e9h h PHE 64 Ca 0.01 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2e9h h PHE 64 Cb 0.39 0.43 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 2e9h h PHE 64 CO 0.05 -0.38 0.11 0.78 -0.60 0.00 0.00 178.31 178.27 2e9h h GLY 65 N -0.28 0.65 0.20 -1.45 0.00 -1.57 -2.45 103.07 98.16 2e9h h GLY 65 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2e9h h GLY 65 CO -0.48 0.32 -0.13 0.00 0.00 0.00 0.00 176.54 176.25 2e9h h GLU 67 N -0.31 0.07 0.00 0.00 5.08 -1.37 0.24 114.58 118.29 2e9h h GLU 67 Ca -0.03 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2e9h h GLU 67 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2e9h h GLU 67 CO 0.02 0.05 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.78 2e9h h LEU 68 N 0.07 0.00 -0.28 1.33 3.38 -1.37 -3.47 115.31 114.98 2e9h h LEU 68 Ca 0.27 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.88 2e9h h LEU 68 Cb 0.43 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.28 2e9h h LEU 68 CO -0.50 0.22 -0.60 0.61 0.09 0.00 0.00 178.44 178.27 2e9h n GLY 69 N -0.12 -0.41 3.59 0.83 0.00 0.62 -5.01 105.19 104.68 2e9h n GLY 69 Ca -0.01 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.32 0.49 -1.66 4.61 0.00 -0.86 -5.03 120.51 113.75 2e9h n ALA 70 Ca -0.03 -2.23 -0.32 0.00 0.00 0.00 0.00 53.44 50.86 2e9h n ALA 70 Cb 0.57 1.17 0.02 0.00 0.00 0.00 0.00 19.45 21.21 2e9h n ALA 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2e9h s GLN 71 N -3.86 3.26 0.09 0.00 0.74 -1.26 -4.78 119.66 113.85 2e9h s GLN 71 Ca 0.05 1.08 -0.08 0.00 0.05 0.00 0.00 55.36 56.46 2e9h s GLN 71 Cb -0.00 -2.03 -0.00 0.00 1.10 0.00 0.00 33.01 32.07 2e9h s GLN 71 CO 0.03 -0.85 0.18 0.95 -0.55 0.00 0.00 175.29 175.05 2e9h s THR 72 N -2.69 0.14 -0.04 -0.34 -4.23 -1.26 -0.42 115.64 106.80 2e9h s THR 72 Ca 0.61 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.94 2e9h s THR 72 Cb -0.15 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 2e9h s THR 72 CO 0.43 -0.65 -0.17 -1.58 -0.54 0.00 0.00 174.62 172.11 2e9h s GLN 73 N -3.87 1.70 -0.20 3.99 0.74 -0.41 -4.97 119.66 116.65 2e9h s GLN 73 Ca 0.06 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.86 2e9h s GLN 73 Cb 0.05 -1.51 0.04 0.00 1.10 0.00 0.00 33.01 32.68 2e9h s GLN 73 CO -0.10 0.28 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.73 2e9h s PHE 74 N -0.07 2.55 -0.29 1.67 0.40 -1.26 -2.77 117.98 118.21 2e9h s PHE 74 Ca -0.01 -1.64 -0.02 0.00 -0.60 0.00 0.00 56.93 54.66 2e9h s PHE 74 Cb -0.10 -1.72 0.10 0.00 0.51 0.00 0.00 43.02 41.80 2e9h s PHE 74 CO 0.01 -0.76 0.10 0.34 0.70 0.00 0.00 175.22 175.61 2e9h s ASP 75 N 1.35 3.83 0.22 1.36 -1.08 -1.08 -4.98 116.67 116.29 2e9h s ASP 75 Ca -0.00 -1.49 0.08 0.00 -0.52 0.00 0.00 52.55 50.62 2e9h s ASP 75 Cb -0.16 -0.74 0.16 0.00 -1.46 0.00 0.00 42.92 40.72 2e9h s ASP 75 CO -0.09 -0.41 1.50 0.58 0.52 0.00 0.00 175.17 177.27 2e9h h VAL 76 N 6.48 1.51 -0.22 1.11 2.07 -1.94 0.32 116.25 125.58 2e9h h VAL 76 Ca -0.15 -2.49 0.04 0.00 0.82 0.00 0.00 66.70 64.93 2e9h h VAL 76 Cb 1.02 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 33.09 2e9h h VAL 76 CO 0.45 0.71 -0.06 0.11 0.02 0.00 0.00 177.57 178.81 2e9h h LYS 77 N 0.03 -0.00 -0.39 1.57 6.56 -1.97 -2.70 116.57 119.67 2e9h h LYS 77 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2e9h h LYS 77 Cb 1.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2e9h h LYS 77 CO 0.10 -0.00 0.00 0.09 -2.06 0.00 0.00 179.45 177.58 2e9h n ASN 78 N -5.21 3.12 -3.84 0.86 3.02 -1.23 -4.96 115.26 107.01 2e9h n ASN 78 Ca -0.02 -1.92 -0.30 0.00 -0.03 0.00 0.00 54.58 52.31 2e9h n ASN 78 Cb 0.13 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N 0.97 -3.35 -4.54 6.41 8.00 1.00 -4.92 116.55 120.12 2e9h n ASP 79 Ca 0.15 -0.72 -0.35 0.00 0.71 0.00 0.00 54.79 54.58 2e9h n ASP 79 Cb 0.48 -2.77 -0.11 0.00 -0.02 0.00 0.00 41.12 38.71 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -6.51 3.80 -0.08 -1.24 1.70 -0.50 -4.76 118.95 111.35 2e9h s ARG 80 Ca 0.59 -0.43 0.05 0.00 -0.47 0.00 0.00 55.73 55.47 2e9h s ARG 80 Cb -0.32 -3.21 -0.00 0.00 -0.57 0.00 0.00 34.95 30.85 2e9h s ARG 80 CO 0.73 0.09 -0.24 0.71 -1.08 0.00 0.00 175.30 175.51 2e9h s TYR 81 N 0.85 2.45 0.12 5.89 1.51 -1.26 -2.63 117.35 124.27 2e9h s TYR 81 Ca 0.03 -0.91 0.10 0.00 -1.01 0.00 0.00 57.07 55.28 2e9h s TYR 81 Cb -0.14 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 2e9h s TYR 81 CO 0.02 -0.34 -0.25 0.42 -1.11 0.00 0.00 175.55 174.30 2e9h s ILE 82 N 0.17 2.05 -0.27 2.71 1.01 -1.11 -2.71 121.20 123.04 2e9h s ILE 82 Ca -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 60.65 58.84 2e9h s ILE 82 Cb -0.16 -1.82 0.09 0.00 0.01 0.00 0.00 42.46 40.57 2e9h s ILE 82 CO 0.07 0.04 0.09 -0.69 0.00 0.00 0.00 174.94 174.45 2e9h s VAL 83 N -1.09 0.58 0.59 2.92 1.01 0.18 -1.28 120.40 123.32 2e9h s VAL 83 Ca 0.11 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 2e9h s VAL 83 Cb -0.10 -1.35 -0.11 0.00 0.00 0.00 0.00 36.38 34.83 2e9h s VAL 83 CO 0.05 -0.55 0.19 0.59 0.00 0.00 0.00 175.10 175.39 2e9h n ASN 84 N 4.99 -2.38 0.00 3.32 4.13 0.44 -1.25 115.26 124.51 2e9h n ASN 84 Ca -0.05 0.65 0.00 0.00 1.68 0.00 0.00 54.58 56.86 2e9h n ASN 84 Cb 0.43 -1.03 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 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 2.14 -0.35 3.68 7.41 0.00 -1.24 -4.63 105.19 112.21 2e9h n GLY 85 Ca 0.09 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.76 7.00 -0.07 1.61 0.15 -1.26 -2.43 113.70 117.95 2e9h s SER 86 Ca 0.00 1.86 -0.07 0.00 0.70 0.00 0.00 55.95 58.44 2e9h s SER 86 Cb 0.00 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2e9h s SER 86 CO 0.00 -0.63 0.19 -1.00 1.20 0.00 0.00 173.24 173.00 2e9h s HIS 87 N 2.39 -0.20 0.00 3.44 3.76 -1.26 -4.99 115.29 118.43 2e9h s HIS 87 Ca 0.57 0.48 -0.18 0.00 -0.15 0.00 0.00 55.06 55.79 2e9h s HIS 87 Cb -0.26 0.07 -0.06 0.00 1.11 0.00 0.00 32.58 33.44 2e9h s HIS 87 CO 0.22 -0.12 0.49 -1.83 -0.85 0.00 0.00 174.74 172.66 2e9h s GLU 88 N 0.00 4.13 0.31 1.40 -1.05 -1.26 -4.88 118.70 117.37 2e9h s GLU 88 Ca -0.01 0.56 0.05 0.00 -0.15 0.00 0.00 54.97 55.43 2e9h s GLU 88 Cb -0.02 -3.28 0.86 0.00 -0.44 0.00 0.00 34.13 31.25 2e9h s GLU 88 CO 0.00 0.54 1.59 0.00 0.95 0.00 0.00 175.26 178.35 2e9h h ALA 89 N 5.13 1.39 -0.50 -0.84 0.00 -1.92 0.20 119.26 122.71 2e9h h ALA 89 Ca -0.48 0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2e9h h ALA 89 Cb 1.21 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 2e9h h ALA 89 CO 0.66 -0.62 -0.31 -0.97 0.00 0.00 0.00 179.25 178.01 2e9h h ASN 90 N 0.06 -1.05 0.46 0.00 -0.73 -1.93 -1.14 115.58 111.25 2e9h h ASN 90 Ca 0.64 0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.99 2e9h h ASN 90 Cb 1.40 0.52 0.00 0.00 0.27 0.00 0.00 38.32 40.51 2e9h h ASN 90 CO -0.83 -0.30 -0.22 0.50 -0.37 0.00 0.00 177.43 176.21 2e9h h LYS 91 N -0.19 -0.59 -0.85 6.67 3.11 -1.01 -2.82 116.57 120.89 2e9h h LYS 91 Ca 0.21 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.21 2e9h h LYS 91 Cb 0.53 0.14 -0.13 0.00 -1.00 0.00 0.00 32.23 31.76 2e9h h LYS 91 CO -0.61 -0.40 -0.43 -0.07 -2.81 0.00 0.00 179.45 175.14 2e9h h LEU 92 N -0.62 -1.55 -1.41 5.20 3.38 -0.87 0.86 115.31 120.30 2e9h h LEU 92 Ca -0.06 0.29 0.17 0.00 0.09 0.00 0.00 57.88 58.36 2e9h h LEU 92 Cb 0.47 0.75 -0.07 0.00 0.09 0.00 0.00 40.66 41.91 2e9h h LEU 92 CO 0.10 -0.29 0.57 -0.61 0.09 0.00 0.00 178.44 178.30 2e9h h GLN 93 N -0.08 0.53 -0.72 1.13 5.75 -1.14 0.24 115.11 120.82 2e9h h GLN 93 Ca 0.26 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.67 2e9h h GLN 93 Cb 0.55 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2e9h h GLN 93 CO -0.87 0.35 0.24 0.22 -2.65 0.00 0.00 178.83 176.11 2e9h h ASP 94 N 0.54 1.04 0.03 -0.69 1.82 0.96 -2.75 116.42 117.38 2e9h h ASP 94 Ca 0.45 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 2e9h h ASP 94 Cb 0.90 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.64 2e9h h ASP 94 CO -0.19 0.96 -0.01 0.24 -1.61 0.00 0.00 179.24 178.63 2e9h h MET 95 N 1.06 -0.04 -1.05 0.28 2.86 0.01 -3.29 114.93 114.76 2e9h h MET 95 Ca 0.23 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.23 2e9h h MET 95 Cb 0.29 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 31.81 2e9h h MET 95 CO -0.01 0.66 0.61 1.25 1.06 0.00 0.00 176.91 180.48 2e9h h LEU 96 N -0.84 0.44 -0.71 1.22 5.85 -0.64 0.08 115.31 120.69 2e9h h LEU 96 Ca -0.00 0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2e9h h LEU 96 Cb 0.72 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.78 2e9h h LEU 96 CO 0.01 -0.19 -0.44 0.44 -0.34 0.00 0.00 178.44 177.92 2e9h h ASP 97 N 0.23 -1.53 -1.00 1.25 3.32 -1.55 0.28 116.42 117.42 2e9h h ASP 97 Ca 0.76 0.27 0.38 0.00 0.02 0.00 0.00 57.03 58.46 2e9h h ASP 97 Cb 1.91 0.72 -0.17 0.00 0.22 0.00 0.00 39.33 42.01 2e9h h ASP 97 CO -0.60 -0.31 0.54 1.23 -1.72 0.00 0.00 179.24 178.38 2e9h h GLY 98 N -0.15 2.18 0.58 2.75 0.00 -1.15 0.52 103.07 107.80 2e9h h GLY 98 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2e9h h GLY 98 CO -0.78 -0.69 -0.15 -2.75 0.00 0.00 0.00 176.54 172.18 2e9h h PHE 99 N 0.12 -0.38 0.00 5.60 3.57 -0.57 -2.91 116.94 122.37 2e9h h PHE 99 Ca 0.80 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.29 2e9h h PHE 99 Cb 2.02 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.88 2e9h h PHE 99 CO -0.02 -0.03 0.00 -0.89 -2.23 0.00 0.00 178.31 175.14 2e9h n ILE 100 N -5.10 0.55 0.10 1.41 5.41 0.17 -0.37 119.36 121.52 2e9h n ILE 100 Ca -0.09 0.14 -0.01 0.00 1.00 0.00 0.00 62.75 63.78 2e9h n ILE 100 Cb 0.27 -0.93 -0.04 0.00 -0.71 0.00 0.00 39.64 38.23 2e9h n ILE 100 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2e9h h LYS 101 N 0.00 0.00 0.00 0.38 1.79 0.13 -0.20 116.57 118.66 2e9h h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2e9h h LYS 101 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2e9h h LYS 101 CO 0.00 0.67 0.00 0.36 -1.08 0.00 0.00 179.45 179.40 2e9h n LYS 102 N -3.25 0.00 -0.50 3.15 2.85 -0.85 -4.27 118.16 115.29 2e9h n LYS 102 Ca 0.00 0.00 0.42 0.00 -1.05 0.00 0.00 58.31 57.69 2e9h n LYS 102 Cb 0.82 -0.22 0.76 0.00 -0.65 0.00 0.00 35.03 35.74 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 0.12 0.00 5.58 -1.00 -0.96 -3.26 116.94 117.41 2e9h h PHE 103 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2e9h h PHE 103 Cb 0.00 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.53 2e9h h PHE 103 CO 0.00 -0.03 -0.07 0.28 -1.61 0.00 0.00 178.31 176.88 2e9h n VAL 104 N -4.18 0.62 -1.31 -0.55 0.31 -1.19 -4.94 118.33 107.09 2e9h n VAL 104 Ca 0.35 0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 64.56 2e9h n VAL 104 Cb 1.58 -1.37 0.10 0.00 -0.91 0.00 0.00 33.84 33.24 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 -6.04 3.23 -0.13 7.52 1.43 -0.09 -4.20 118.68 120.41 2e9h s LEU 105 Ca -0.02 2.30 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 2e9h s LEU 105 Cb 0.00 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 2e9h s LEU 105 CO 0.03 -2.38 0.27 0.00 0.23 0.00 0.00 176.35 174.51 2e9h n PRO 107 N 2.96 0.49 0.00 0.00 -0.04 -1.26 0.12 135.00 137.26 2e9h n PRO 107 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2e9h n PRO 107 Cb 0.52 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.19 0.54 -0.58 -1.26 -4.84 120.64 113.58 2e9h n GLU 108 Ca 0.05 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.85 2e9h n GLU 108 Cb 0.03 -0.31 0.14 0.00 -0.57 0.00 0.00 31.44 30.72 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 -0.16 -1.50 -2.56 0.00 1.02 0.32 -4.72 120.64 113.04 2e9h n GLU 110 Ca 0.12 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 2e9h n GLU 110 Cb 0.51 -2.97 -0.03 0.00 -0.02 0.00 0.00 31.44 28.94 2e9h n GLU 110 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2e9h s ASN 111 N -1.91 7.15 0.00 1.62 3.84 -1.26 -4.25 114.94 120.13 2e9h s ASN 111 Ca 0.29 1.71 0.16 0.00 0.21 0.00 0.00 52.86 55.23 2e9h s ASN 111 Cb -0.17 -2.56 0.93 0.00 -0.55 0.00 0.00 41.25 38.90 2e9h s ASN 111 CO 0.35 -0.50 1.34 -0.81 -2.79 0.00 0.00 177.10 174.70 2e9h n PRO 112 N 4.93 0.48 -3.86 0.43 -0.04 -1.26 -2.87 135.00 132.81 2e9h n PRO 112 Ca 0.10 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 2e9h n PRO 112 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.31 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.01 2.23 0.31 0.54 0.41 -1.26 -4.80 118.70 114.12 2e9h s GLU 113 Ca 0.23 -2.62 0.03 0.00 -0.41 0.00 0.00 54.97 52.20 2e9h s GLU 113 Cb 0.11 -3.48 -0.06 0.00 -1.78 0.00 0.00 34.13 28.91 2e9h s GLU 113 CO 0.18 -1.14 0.06 0.95 -0.49 0.00 0.00 175.26 174.82 2e9h s THR 114 N -0.26 1.08 0.11 3.63 -4.23 -1.26 -4.64 115.64 110.07 2e9h s THR 114 Ca 0.17 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.76 2e9h s THR 114 Cb -0.23 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 2e9h s THR 114 CO -0.02 -0.01 -0.14 -1.81 -0.54 0.00 0.00 174.62 172.11 2e9h s ASP 115 N -3.45 4.16 -0.13 3.99 1.11 -1.07 -5.01 116.67 116.27 2e9h s ASP 115 Ca 0.37 -0.47 0.01 0.00 0.18 0.00 0.00 52.55 52.64 2e9h s ASP 115 Cb 0.09 -0.70 0.02 0.00 1.07 0.00 0.00 42.92 43.39 2e9h s ASP 115 CO 0.15 0.17 -0.15 -0.76 1.18 0.00 0.00 175.17 175.77 2e9h s LEU 116 N -2.21 1.71 -0.13 1.23 1.43 -1.26 -1.61 118.68 117.83 2e9h s LEU 116 Ca 0.20 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2e9h s LEU 116 Cb -0.11 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 2e9h s LEU 116 CO 0.12 -0.01 0.03 -1.00 0.23 0.00 0.00 176.35 175.72 2e9h s HIS 117 N 1.20 3.23 -0.07 0.29 3.76 0.81 -5.00 115.29 119.51 2e9h s HIS 117 Ca -0.02 0.13 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 2e9h s HIS 117 Cb -0.14 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 2e9h s HIS 117 CO -0.05 0.34 -0.20 0.54 -0.85 0.00 0.00 174.74 174.51 2e9h s VAL 118 N -0.34 2.47 -0.26 -0.90 0.11 -1.26 -1.42 120.40 118.80 2e9h s VAL 118 Ca 0.08 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2e9h s VAL 118 Cb -0.12 -1.94 0.07 0.00 -1.53 0.00 0.00 36.38 32.86 2e9h s VAL 118 CO 0.02 0.57 -0.01 0.21 -3.33 0.00 0.00 175.10 172.56 2e9h s ASN 119 N -0.22 3.91 0.27 3.54 3.84 -1.14 -4.99 114.94 120.15 2e9h s ASN 119 Ca -0.01 -1.34 0.04 0.00 0.21 0.00 0.00 52.86 51.76 2e9h s ASN 119 Cb -0.13 -1.14 0.36 0.00 -0.55 0.00 0.00 41.25 39.79 2e9h s ASN 119 CO 0.03 -0.29 1.64 1.55 -2.79 0.00 0.00 177.10 177.25 2e9h h PRO 120 N 7.96 0.31 0.25 0.43 0.13 -1.89 0.19 132.00 139.39 2e9h h PRO 120 Ca -0.15 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2e9h h PRO 120 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2e9h h PRO 120 CO 0.43 0.71 -0.12 -0.22 -0.23 0.00 0.00 178.00 178.56 2e9h h LYS 121 N 0.25 -0.33 0.00 0.86 1.63 -1.97 -3.25 116.57 113.76 2e9h h LYS 121 Ca 0.02 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2e9h h LYS 121 Cb 0.90 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2e9h h LYS 121 CO 0.07 -0.12 0.00 1.63 -3.45 0.00 0.00 179.45 177.58 2e9h n LYS 122 N -5.00 0.19 -4.14 1.90 4.76 -1.25 -4.89 118.16 109.74 2e9h n LYS 122 Ca -0.05 0.11 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 2e9h n LYS 122 Cb 0.18 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 2e9h n LYS 122 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2e9h n GLN 123 N -1.37 -2.73 -3.82 1.97 1.13 0.64 -4.95 117.38 108.26 2e9h n GLN 123 Ca 0.08 0.33 -0.13 0.00 -1.94 0.00 0.00 57.00 55.34 2e9h n GLN 123 Cb 0.19 -4.57 -0.14 0.00 0.11 0.00 0.00 30.24 25.83 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 -3.77 -0.02 -0.17 5.09 -4.23 -1.07 -5.01 115.64 106.45 2e9h s THR 124 Ca 0.29 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.80 2e9h s THR 124 Cb -0.16 -0.10 -0.05 0.00 1.34 0.00 0.00 72.50 73.54 2e9h s THR 124 CO 0.93 0.03 0.13 -0.63 -0.54 0.00 0.00 174.62 174.54 2e9h s ILE 125 N 0.46 5.40 -0.05 2.99 1.01 -1.26 -2.88 121.20 126.87 2e9h s ILE 125 Ca -0.04 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.81 2e9h s ILE 125 Cb -0.05 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 39.01 2e9h s ILE 125 CO -0.02 0.50 -0.07 -0.83 0.00 0.00 0.00 174.94 174.52 2e9h s GLY 126 N -0.09 0.54 0.03 6.18 0.00 -0.51 0.12 107.32 113.60 2e9h s GLY 126 Ca 0.10 -0.18 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 2e9h s GLY 126 CO 0.00 0.28 0.30 0.54 0.00 0.00 0.00 173.10 174.22 2e9h s ASN 127 N 0.74 6.52 -0.19 1.64 2.20 -0.40 -0.13 114.94 125.31 2e9h s ASN 127 Ca -0.12 0.60 -0.03 0.00 -0.94 0.00 0.00 52.86 52.37 2e9h s ASN 127 Cb -0.14 -2.10 0.06 0.00 -2.00 0.00 0.00 41.25 37.07 2e9h s ASN 127 CO 0.01 0.22 0.04 -0.94 -2.94 0.00 0.00 177.10 173.50 2e9h s SER 128 N -1.78 2.84 0.31 3.54 1.04 -0.64 -2.47 113.70 116.54 2e9h s SER 128 Ca 0.30 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2e9h s SER 128 Cb -0.13 -0.54 -0.03 0.00 0.10 0.00 0.00 66.02 65.41 2e9h s SER 128 CO 0.17 -0.31 0.50 0.00 0.98 0.00 0.00 173.24 174.58 2e9h n LYS 130 N -1.57 0.25 -0.30 0.00 3.00 -1.26 -3.37 118.16 114.91 2e9h n LYS 130 Ca -0.05 0.08 0.05 0.00 -0.00 0.00 0.00 58.31 58.38 2e9h n LYS 130 Cb 0.56 -1.06 0.11 0.00 0.00 0.00 0.00 35.03 34.64 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e9h n ALA 131 N -3.14 0.18 -0.04 3.14 0.00 -1.26 -2.85 120.51 116.54 2e9h n ALA 131 Ca -0.20 0.90 -0.05 0.00 0.00 0.00 0.00 53.44 54.09 2e9h n ALA 131 Cb 0.68 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 2e9h n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e9h n GLY 133 N 2.90 0.77 3.68 0.00 0.00 -1.13 -5.09 105.19 106.31 2e9h n GLY 133 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.46 3.40 -0.13 1.61 6.14 -1.23 -4.88 117.35 120.79 2e9h s TYR 134 Ca 0.00 0.71 -0.00 0.00 0.64 0.00 0.00 57.07 58.42 2e9h s TYR 134 Cb 0.00 -2.58 0.03 0.00 0.42 0.00 0.00 41.96 39.83 2e9h s TYR 134 CO 0.00 -0.01 -0.07 1.03 0.64 0.00 0.00 175.55 177.14 2e9h s ARG 135 N 1.30 1.54 0.15 4.97 3.00 -1.26 -1.14 118.95 127.51 2e9h s ARG 135 Ca 0.22 -0.34 -0.17 0.00 0.00 0.00 0.00 55.73 55.44 2e9h s ARG 135 Cb -0.15 -1.72 0.04 0.00 0.00 0.00 0.00 34.95 33.11 2e9h s ARG 135 CO 0.09 -0.31 0.44 0.20 0.00 0.00 0.00 175.30 175.72 2e9h s GLY 136 N 1.68 -0.24 -0.34 -3.53 0.00 -1.03 -5.03 107.32 98.83 2e9h s GLY 136 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.55 2e9h s GLY 136 CO -0.08 -0.27 0.28 1.06 0.00 0.00 0.00 173.10 174.09 2e9h s MET 137 N -3.82 3.55 0.18 2.90 -1.94 -1.26 -1.28 119.30 117.62 2e9h s MET 137 Ca 0.05 -0.54 -0.31 0.00 -1.71 0.00 0.00 55.69 53.17 2e9h s MET 137 Cb 0.01 -3.80 -0.10 0.00 2.01 0.00 0.00 34.83 32.95 2e9h s MET 137 CO -0.09 -0.46 1.54 -0.51 -0.01 0.00 0.00 175.02 175.48 2e9h s LEU 138 N 1.83 4.37 -0.50 -0.03 1.43 0.32 -4.94 118.68 121.16 2e9h s LEU 138 Ca 0.08 2.62 0.03 0.00 -1.03 0.00 0.00 54.13 55.83 2e9h s LEU 138 Cb -0.17 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.60 2e9h s LEU 138 CO 0.11 -0.80 0.31 -1.81 0.23 0.00 0.00 176.35 174.39 2e9h s ASP 139 N 0.99 3.64 0.51 2.29 1.01 -1.26 -4.25 116.67 119.59 2e9h s ASP 139 Ca 0.68 -2.99 0.04 0.00 0.71 0.00 0.00 52.55 50.99 2e9h s ASP 139 Cb -0.43 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.37 2e9h s ASP 139 CO 0.34 -0.21 0.20 0.42 0.21 0.00 0.00 175.17 176.12 2e9h s THR 140 N -0.14 1.57 1.01 -1.27 -4.23 -1.26 -5.11 115.64 106.21 2e9h s THR 140 Ca 0.21 -1.74 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 2e9h s THR 140 Cb -0.16 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 2e9h s THR 140 CO -0.06 0.00 -0.34 0.00 -0.54 0.00 0.00 174.62 173.67 2e9h n HIS 141 N -1.46 -2.50 -0.19 3.99 1.44 -1.26 -4.83 115.22 110.40 2e9h n HIS 141 Ca -0.09 0.21 -0.07 0.00 -2.01 0.00 0.00 57.72 55.76 2e9h n HIS 141 Cb 0.65 -1.57 0.15 0.00 0.12 0.00 0.00 29.99 29.35 2e9h n HIS 141 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2e9h n HIS 142 N -3.45 1.53 -0.11 -1.40 8.25 -1.26 -3.91 115.22 114.88 2e9h n HIS 142 Ca 0.02 -0.94 -0.18 0.00 -0.26 0.00 0.00 57.72 56.36 2e9h n HIS 142 Cb 0.60 -0.53 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 2e9h n HIS 142 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2e9h n LYS 143 N -0.13 0.54 -0.04 -0.41 3.00 -1.26 -4.47 118.16 115.40 2e9h n LYS 143 Ca 0.27 0.38 -0.03 0.00 -0.00 0.00 0.00 58.31 58.93 2e9h n LYS 143 Cb 1.02 -1.58 -0.01 0.00 0.00 0.00 0.00 35.03 34.46 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 -4.42 0.88 -0.46 3.14 7.94 -1.26 -3.95 117.00 118.88 2e9h n LEU 144 Ca -0.30 0.30 0.37 0.00 -1.11 0.00 0.00 56.01 55.28 2e9h n LEU 144 Cb 0.62 -0.65 0.61 0.00 0.53 0.00 0.00 43.42 44.54 2e9h n LEU 144 CO 0.13 -0.44 1.10 0.00 -1.11 0.00 0.00 177.39 177.07 2e9h h THR 146 N 0.00 1.33 -0.97 0.00 1.03 -1.77 -2.95 112.91 109.58 2e9h h THR 146 Ca 0.77 -1.24 0.08 0.00 -0.01 0.00 0.00 66.41 66.00 2e9h h THR 146 Cb 2.64 1.77 -0.07 0.00 -1.07 0.00 0.00 68.15 71.43 2e9h h THR 146 CO -0.30 0.37 0.63 0.15 -0.01 0.00 0.00 175.52 176.36 2e9h h PHE 147 N 0.04 1.14 -0.80 0.00 3.04 0.22 -1.40 116.94 119.18 2e9h h PHE 147 Ca 0.03 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.99 2e9h h PHE 147 Cb 0.64 -0.37 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 2e9h h PHE 147 CO 0.08 0.56 0.40 0.82 -2.02 0.00 0.00 178.31 178.15 2e9h h ILE 148 N 1.08 1.25 0.65 1.41 2.04 -1.37 -2.73 117.51 119.84 2e9h h ILE 148 Ca 0.43 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2e9h h ILE 148 Cb 0.26 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2e9h h ILE 148 CO -0.18 0.29 -0.31 -0.07 0.00 0.00 0.00 178.15 177.87 2e9h h LEU 149 N 1.13 -0.74 -0.97 1.44 3.38 -1.12 -3.11 115.31 115.32 2e9h h LEU 149 Ca 0.28 -0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.56 2e9h h LEU 149 Cb 0.09 0.19 -0.17 0.00 0.09 0.00 0.00 40.66 40.86 2e9h h LEU 149 CO -0.04 -0.37 0.28 0.11 0.09 0.00 0.00 178.44 178.51 2e9h h LYS 150 N -1.17 0.07 -3.51 1.13 1.79 -1.29 -3.34 116.57 110.26 2e9h h LYS 150 Ca -0.09 -0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.88 2e9h h LYS 150 Cb 0.70 -0.02 -0.40 0.00 -1.58 0.00 0.00 32.23 30.93 2e9h h LYS 150 CO 0.15 0.05 -0.76 0.54 -1.08 0.00 0.00 179.45 178.34 2e9h s ASN 151 N -4.86 2.55 0.95 0.86 2.20 -1.03 -5.12 114.94 110.48 2e9h s ASN 151 Ca -0.11 -0.63 -0.12 0.00 -0.94 0.00 0.00 52.86 51.05 2e9h s ASN 151 Cb 0.30 -0.51 0.16 0.00 -2.00 0.00 0.00 41.25 39.20 2e9h s ASN 151 CO 0.78 -0.29 1.09 -2.16 -2.94 0.00 0.00 177.10 173.58 2e9h s PRO 152 N 1.92 0.79 0.86 3.55 0.04 -1.18 -4.50 135.00 136.47 2e9h s PRO 152 Ca 0.01 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 2e9h s PRO 152 Cb -0.16 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.72 2e9h s PRO 152 CO -0.07 -2.52 1.09 -1.25 0.04 0.00 0.00 177.00 174.29 2e9h s PRO 153 N -4.95 1.57 -0.40 0.56 0.04 -1.26 -4.99 135.00 125.56 2e9h s PRO 153 Ca 0.64 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 2e9h s PRO 153 Cb -0.18 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2e9h s PRO 153 CO 0.57 -2.06 0.65 -2.00 0.04 0.00 0.00 177.00 174.21 2e9h s GLU 154 N -4.93 3.50 0.32 4.56 2.12 -1.26 -5.05 118.70 117.96 2e9h s GLU 154 Ca 0.63 -0.13 -0.15 0.00 0.36 0.00 0.00 54.97 55.68 2e9h s GLU 154 Cb -0.18 -3.88 -0.09 0.00 0.26 0.00 0.00 34.13 30.25 2e9h s GLU 154 CO 0.57 -0.88 0.74 1.21 -0.54 0.00 0.00 175.26 176.35 2e9h s ASN 155 N 1.91 6.77 -0.07 -1.70 2.47 -1.26 -5.08 114.94 117.98 2e9h s ASN 155 Ca 0.24 1.28 0.02 0.00 0.42 0.00 0.00 52.86 54.82 2e9h s ASN 155 Cb -0.14 -2.37 0.02 0.00 -1.45 0.00 0.00 41.25 37.30 2e9h s ASN 155 CO 0.17 -0.21 -0.11 -0.55 -3.72 0.00 0.00 177.10 172.69 2e9h s SER 156 N -2.28 1.73 0.00 -4.21 0.15 -1.26 -5.32 113.70 102.51 2e9h s SER 156 Ca 0.54 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2e9h s SER 156 Cb -0.10 -0.78 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 2e9h s SER 156 CO 0.17 -0.00 0.49 0.47 1.20 0.00 0.00 173.24 175.57