#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5h s SER -5 N 0.00 5.80 0.01 1.61 0.01 -1.26 -4.97 113.70 114.89 2e5h s SER -5 Ca 0.00 -0.61 -0.25 0.00 1.31 0.00 0.00 55.95 56.40 2e5h s SER -5 Cb 0.00 -2.06 -0.18 0.00 0.21 0.00 0.00 66.02 63.98 2e5h s SER -5 CO 0.00 -0.27 1.39 0.28 0.41 0.00 0.00 173.24 175.05 2e5h h SER -4 N 8.44 0.03 0.00 2.44 0.02 -2.12 -3.48 113.55 118.87 2e5h h SER -4 Ca -0.30 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2e5h h SER -4 Cb 1.14 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2e5h h SER -4 CO 0.64 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.34 2e5h n GLY -3 N -0.09 3.19 3.72 -3.77 0.00 -1.26 -4.90 105.19 102.09 2e5h n GLY -3 Ca -0.08 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 2e5h n GLY -3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e5h n SER -2 N 0.00 -1.01 -0.24 1.61 3.41 -1.26 -4.74 113.62 111.39 2e5h n SER -2 Ca 0.00 -0.91 0.02 0.00 -0.26 0.00 0.00 58.87 57.73 2e5h n SER -2 Cb 0.00 -1.16 0.15 0.00 -0.26 0.00 0.00 64.21 62.94 2e5h n SER -2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2e5h h SER -1 N -0.69 0.37 0.00 4.04 0.87 -2.03 -3.45 113.55 112.65 2e5h h SER -1 Ca -0.44 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2e5h h SER -1 Cb 1.01 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2e5h h SER -1 CO 0.63 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.73 2e5h n GLY 0 N -1.31 3.39 3.70 5.77 0.00 -1.26 -4.83 105.19 110.65 2e5h n GLY 0 Ca 0.12 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2e5h n GLY 0 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2e5h n MET 1 N 14.00 -5.10 -1.98 1.61 0.00 -1.26 -4.87 117.12 119.51 2e5h n MET 1 Ca 0.00 0.61 -0.18 0.00 -0.00 0.00 0.00 57.70 58.13 2e5h n MET 1 Cb 0.00 -5.47 0.04 0.00 0.00 0.00 0.00 33.22 27.79 2e5h n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2e5h n SER 2 N -2.70 4.22 -3.61 6.12 2.88 -1.26 -5.08 113.62 114.20 2e5h n SER 2 Ca 0.02 -3.55 -0.28 0.00 -1.33 0.00 0.00 58.87 53.73 2e5h n SER 2 Cb 0.54 -0.37 0.25 0.00 -0.75 0.00 0.00 64.21 63.88 2e5h n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5h n GLY 3 N -0.72 -3.22 1.18 0.46 0.00 -1.26 -4.51 105.19 97.13 2e5h n GLY 3 Ca 0.37 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2e5h n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e5h n GLY 4 N 1.86 0.75 3.21 -0.02 0.00 -1.26 -5.02 105.19 104.72 2e5h n GLY 4 Ca 0.09 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 2e5h n GLY 4 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2e5h n LEU 5 N -0.65 -3.07 -3.69 0.99 -0.00 -1.26 -5.02 117.00 104.30 2e5h n LEU 5 Ca 0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 56.01 56.19 2e5h n LEU 5 Cb 0.46 -0.98 -0.05 0.00 -0.00 0.00 0.00 43.42 42.84 2e5h n LEU 5 CO 0.00 -4.81 0.11 0.00 -0.00 0.00 0.00 177.39 172.69 2e5h s ALA 6 N -2.17 -0.77 -2.00 1.47 0.00 -1.26 -5.02 121.76 112.01 2e5h s ALA 6 Ca 0.49 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.35 2e5h s ALA 6 Cb -0.21 0.66 0.54 0.00 0.00 0.00 0.00 23.12 24.11 2e5h s ALA 6 CO 0.74 -0.62 0.98 -0.35 0.00 0.00 0.00 175.76 176.52 2e5h n PRO 7 N -0.19 0.49 -0.88 0.00 -0.04 -1.26 -4.62 135.00 128.49 2e5h n PRO 7 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 2e5h n PRO 7 Cb 0.63 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2e5h n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2e5h n SER 8 N -0.79 -2.29 -0.30 3.54 2.88 -1.26 -4.43 113.62 110.97 2e5h n SER 8 Ca 0.07 0.50 -0.04 0.00 -1.33 0.00 0.00 58.87 58.07 2e5h n SER 8 Cb 0.03 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 62.89 2e5h n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2e5h n LYS 9 N 0.99 -0.23 -0.21 -1.46 4.01 -1.26 -0.56 118.16 119.43 2e5h n LYS 9 Ca 0.06 1.15 -0.05 0.00 -0.51 0.00 0.00 58.31 58.96 2e5h n LYS 9 Cb 0.30 -1.69 -0.05 0.00 -0.51 0.00 0.00 35.03 33.08 2e5h n LYS 9 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2e5h n SER 10 N -5.04 -0.52 -3.18 4.39 3.41 -1.26 -4.52 113.62 106.89 2e5h n SER 10 Ca 0.05 1.09 -0.33 0.00 -0.26 0.00 0.00 58.87 59.42 2e5h n SER 10 Cb 0.26 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 2e5h n SER 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2e5h n THR 11 N -4.23 0.97 -4.03 6.66 -1.04 0.27 -4.32 114.28 108.56 2e5h n THR 11 Ca 0.01 -0.37 -0.31 0.00 -2.04 0.00 0.00 64.05 61.35 2e5h n THR 11 Cb 0.13 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.48 2e5h n THR 11 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2e5h s VAL 12 N -0.98 1.69 -0.54 12.58 1.01 0.22 -3.60 120.40 130.79 2e5h s VAL 12 Ca 0.45 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 2e5h s VAL 12 Cb -0.57 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2e5h s VAL 12 CO 0.43 0.38 1.37 -0.47 0.00 0.00 0.00 175.10 176.82 2e5h s TYR 13 N 1.42 2.37 -0.12 5.22 6.14 0.14 -1.55 117.35 130.98 2e5h s TYR 13 Ca 0.03 0.50 0.01 0.00 0.64 0.00 0.00 57.07 58.25 2e5h s TYR 13 Cb -0.14 -4.41 -0.01 0.00 0.42 0.00 0.00 41.96 37.82 2e5h s TYR 13 CO -0.10 -1.88 -0.16 0.08 0.64 0.00 0.00 175.55 174.13 2e5h s VAL 14 N 5.73 2.82 0.32 3.14 1.01 -0.52 -0.70 120.40 132.21 2e5h s VAL 14 Ca 0.52 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2e5h s VAL 14 Cb -0.10 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.05 2e5h s VAL 14 CO 0.26 0.54 -0.00 -0.94 0.00 0.00 0.00 175.10 174.96 2e5h s SER 15 N 0.26 2.87 -1.38 3.32 1.04 -0.41 -0.26 113.70 119.14 2e5h s SER 15 Ca -0.11 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.00 2e5h s SER 15 Cb -0.16 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2e5h s SER 15 CO 0.06 -0.46 0.32 0.59 0.98 0.00 0.00 173.24 174.74 2e5h n ASN 16 N -0.71 -5.31 -4.84 7.02 4.13 -1.26 -2.77 115.26 111.53 2e5h n ASN 16 Ca -0.04 -0.16 -0.35 0.00 1.68 0.00 0.00 54.58 55.71 2e5h n ASN 16 Cb 0.65 -4.24 -0.06 0.00 -1.54 0.00 0.00 39.78 34.59 2e5h n ASN 16 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2e5h s LEU 17 N -5.44 4.30 -1.06 3.41 1.43 -1.21 -4.54 118.68 115.56 2e5h s LEU 17 Ca 0.16 1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 2e5h s LEU 17 Cb -0.07 -3.50 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 2e5h s LEU 17 CO 0.20 0.03 1.94 -2.16 0.23 0.00 0.00 176.35 176.59 2e5h s PRO 18 N -2.15 2.52 0.57 1.29 0.04 -1.26 -3.66 135.00 132.35 2e5h s PRO 18 Ca 0.42 -0.79 0.34 0.00 0.04 0.00 0.00 61.00 61.01 2e5h s PRO 18 Cb -0.15 -5.17 1.42 0.00 0.04 0.00 0.00 34.50 30.65 2e5h s PRO 18 CO 0.20 -3.73 1.71 0.27 0.04 0.00 0.00 177.00 175.49 2e5h h PHE 19 N 10.39 0.00 -1.34 0.56 -0.00 -1.93 0.87 116.94 125.49 2e5h h PHE 19 Ca 0.17 0.00 0.39 0.00 -0.00 0.00 0.00 57.97 58.52 2e5h h PHE 19 Cb 0.97 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.86 2e5h h PHE 19 CO 1.21 0.00 1.04 0.77 -0.00 0.00 0.00 178.31 181.33 2e5h h SER 20 N 0.00 0.00 -3.08 -0.68 0.02 -2.04 -3.40 113.55 104.38 2e5h h SER 20 Ca 0.48 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.18 2e5h h SER 20 Cb 2.23 0.00 0.11 0.00 0.14 0.00 0.00 62.40 64.88 2e5h h SER 20 CO -0.01 0.00 0.24 0.18 -1.14 0.00 0.00 176.83 176.11 2e5h n LEU 21 N -3.94 0.00 -4.30 5.07 4.77 0.30 -5.11 117.00 113.78 2e5h n LEU 21 Ca 0.29 -0.86 -0.17 0.00 -0.03 0.00 0.00 56.01 55.24 2e5h n LEU 21 Cb 1.46 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 2e5h n LEU 21 CO 0.38 -1.10 -0.43 0.28 -1.33 0.00 0.00 177.39 175.20 2e5h s THR 22 N -2.71 1.50 0.21 -5.08 -1.32 -1.26 -5.00 115.64 101.97 2e5h s THR 22 Ca 0.45 -2.11 -0.06 0.00 -1.21 0.00 0.00 61.69 58.75 2e5h s THR 22 Cb -0.01 -1.93 0.34 0.00 -1.51 0.00 0.00 72.50 69.39 2e5h s THR 22 CO 0.32 -0.63 1.17 0.59 -2.21 0.00 0.00 174.62 173.85 2e5h n ASN 23 N -0.23 -0.27 -0.01 8.08 4.13 -1.26 0.11 115.26 125.80 2e5h n ASN 23 Ca -0.09 1.29 -0.09 0.00 1.68 0.00 0.00 54.58 57.36 2e5h n ASN 23 Cb 0.60 -0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 38.43 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2e5h h ASN 24 N 0.00 -0.67 -0.18 6.41 -0.00 -1.99 -0.15 115.58 119.00 2e5h h ASN 24 Ca 0.36 0.12 0.03 0.00 -0.00 0.00 0.00 56.30 56.80 2e5h h ASN 24 Cb 0.55 0.31 -0.05 0.00 -0.00 0.00 0.00 38.32 39.12 2e5h h ASN 24 CO -0.77 -0.26 -0.37 0.44 -0.00 0.00 0.00 177.43 176.47 2e5h h ASP 25 N -0.26 -1.20 -0.27 1.15 3.32 0.33 -2.11 116.42 117.38 2e5h h ASP 25 Ca 0.11 0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.38 2e5h h ASP 25 Cb 0.42 0.48 -0.07 0.00 0.22 0.00 0.00 39.33 40.38 2e5h h ASP 25 CO -0.31 -0.29 -0.22 -0.07 -1.72 0.00 0.00 179.24 176.63 2e5h h LEU 26 N -0.32 -0.71 -1.00 1.55 3.38 -1.26 0.18 115.31 117.13 2e5h h LEU 26 Ca 0.03 0.14 0.34 0.00 0.09 0.00 0.00 57.88 58.48 2e5h h LEU 26 Cb 0.42 0.35 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 2e5h h LEU 26 CO -0.35 -0.25 0.26 0.22 0.09 0.00 0.00 178.44 178.41 2e5h h TYR 27 N -0.21 0.35 0.00 1.13 5.03 -0.39 0.20 116.97 123.08 2e5h h TYR 27 Ca 0.15 0.06 -0.03 0.00 2.58 0.00 0.00 58.73 61.49 2e5h h TYR 27 Cb 0.43 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 38.72 2e5h h TYR 27 CO -0.39 -0.46 -0.16 0.00 -1.32 0.00 0.00 178.16 175.83 2e5h h ARG 28 N 0.00 0.00 -1.19 1.82 3.08 -0.62 -2.52 114.38 114.94 2e5h h ARG 28 Ca 0.72 0.00 0.36 0.00 0.07 0.00 0.00 59.98 61.12 2e5h h ARG 28 Cb 1.71 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.65 2e5h h ARG 28 CO -0.86 0.91 0.78 0.82 -1.07 0.00 0.00 179.97 180.54 2e5h h ILE 29 N -1.00 0.32 0.00 2.04 2.04 0.13 1.32 117.51 122.35 2e5h h ILE 29 Ca -0.04 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2e5h h ILE 29 Cb 0.95 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2e5h h ILE 29 CO -0.03 0.04 -0.94 0.49 0.00 0.00 0.00 178.15 177.72 2e5h n PHE 30 N -4.62 0.56 0.35 1.37 3.72 0.51 -3.86 117.46 115.48 2e5h n PHE 30 Ca 0.31 0.16 0.10 0.00 -0.05 0.00 0.00 57.45 57.97 2e5h n PHE 30 Cb 1.18 -0.67 0.44 0.00 -0.94 0.00 0.00 39.48 39.49 2e5h n PHE 30 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2e5h n SER 31 N -2.24 0.47 0.25 4.37 2.88 0.45 -2.02 113.62 117.78 2e5h n SER 31 Ca 0.01 0.64 0.13 0.00 -1.33 0.00 0.00 58.87 58.33 2e5h n SER 31 Cb 0.48 -0.73 0.63 0.00 -0.75 0.00 0.00 64.21 63.83 2e5h n SER 31 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2e5h h LYS 32 N 0.00 0.00 0.00 -1.46 2.10 -1.62 -3.31 116.57 112.28 2e5h h LYS 32 Ca 0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 2e5h h LYS 32 Cb 0.25 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.54 2e5h h LYS 32 CO 0.00 0.13 -1.91 0.66 -2.00 0.00 0.00 179.45 176.33 2e5h n TYR 33 N -3.36 0.00 -3.93 0.07 4.01 -0.86 -5.07 117.16 108.02 2e5h n TYR 33 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 2e5h n TYR 33 Cb 0.33 -0.79 -0.07 0.00 -0.31 0.00 0.00 39.34 38.50 2e5h n TYR 33 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2e5h s GLY 34 N -5.26 0.36 0.25 2.72 0.00 -1.13 -4.95 107.32 99.31 2e5h s GLY 34 Ca -0.35 -0.81 -0.30 0.00 0.00 0.00 0.00 44.72 43.26 2e5h s GLY 34 CO 0.46 -0.84 1.42 1.25 0.00 0.00 0.00 173.10 175.40 2e5h s LYS 35 N -3.93 4.28 -0.10 2.90 2.47 -1.26 -3.97 119.74 120.12 2e5h s LYS 35 Ca 0.13 2.28 -0.02 0.00 -1.56 0.00 0.00 55.97 56.80 2e5h s LYS 35 Cb 0.04 -3.11 -0.03 0.00 -1.46 0.00 0.00 37.83 33.27 2e5h s LYS 35 CO -0.04 -0.40 0.00 0.08 0.16 0.00 0.00 175.35 175.16 2e5h s VAL 36 N -0.07 4.29 -0.23 4.02 1.01 -1.26 -2.71 120.40 125.45 2e5h s VAL 36 Ca 0.58 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 2e5h s VAL 36 Cb -0.41 -2.82 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 2e5h s VAL 36 CO 0.44 0.58 -0.24 0.52 0.00 0.00 0.00 175.10 176.40 2e5h n VAL 37 N 2.41 1.27 -3.84 2.92 0.31 -0.92 -4.95 118.33 115.52 2e5h n VAL 37 Ca -0.18 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.61 2e5h n VAL 37 Cb 0.53 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.84 2e5h n VAL 37 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e5h s LYS 38 N -2.44 0.39 -0.25 5.55 -0.14 -1.23 -5.05 119.74 116.57 2e5h s LYS 38 Ca -0.31 -0.15 -0.03 0.00 -1.36 0.00 0.00 55.97 54.12 2e5h s LYS 38 Cb 0.10 0.17 0.01 0.00 -1.68 0.00 0.00 37.83 36.43 2e5h s LYS 38 CO 0.47 -0.09 -0.02 0.08 -0.76 0.00 0.00 175.35 175.03 2e5h s VAL 39 N -0.83 3.24 -0.02 3.17 1.01 -1.26 -1.62 120.40 124.09 2e5h s VAL 39 Ca -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2e5h s VAL 39 Cb -0.05 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2e5h s VAL 39 CO 0.01 0.22 0.03 -0.89 0.00 0.00 0.00 175.10 174.47 2e5h s THR 40 N 1.40 4.40 -0.01 3.92 2.01 0.12 -5.01 115.64 122.48 2e5h s THR 40 Ca 0.02 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.56 2e5h s THR 40 Cb -0.16 -2.97 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 2e5h s THR 40 CO -0.03 0.40 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.63 2e5h s ILE 41 N -1.10 0.34 0.52 1.82 1.01 -1.26 0.80 121.20 123.32 2e5h s ILE 41 Ca 0.20 -0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 2e5h s ILE 41 Cb -0.12 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 2e5h s ILE 41 CO 0.10 0.11 0.89 -0.04 0.00 0.00 0.00 174.94 176.00 2e5h s MET 42 N 0.02 3.66 -0.06 2.79 -1.94 -0.31 -4.90 119.30 118.55 2e5h s MET 42 Ca 0.00 0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 54.44 2e5h s MET 42 Cb -0.03 -2.25 0.02 0.00 2.01 0.00 0.00 34.83 34.58 2e5h s MET 42 CO -0.00 -0.30 0.20 0.15 -0.01 0.00 0.00 175.02 175.05 2e5h s LYS 43 N -4.62 0.27 0.83 2.03 3.01 -1.26 -4.11 119.74 115.90 2e5h s LYS 43 Ca 0.52 0.18 -0.12 0.00 -1.01 0.00 0.00 55.97 55.55 2e5h s LYS 43 Cb -0.10 0.13 0.11 0.00 -1.01 0.00 0.00 37.83 36.96 2e5h s LYS 43 CO 0.43 -0.04 1.18 0.34 0.51 0.00 0.00 175.35 177.77 2e5h s ASP 44 N -0.11 4.15 -0.22 2.83 2.15 -0.84 -4.91 116.67 119.72 2e5h s ASP 44 Ca -0.02 0.52 -0.17 0.00 0.43 0.00 0.00 52.55 53.31 2e5h s ASP 44 Cb -0.02 -0.91 -0.14 0.00 -0.30 0.00 0.00 42.92 41.55 2e5h s ASP 44 CO 0.01 -2.09 -0.06 0.29 -0.17 0.00 0.00 175.17 173.15 2e5h n LYS 45 N -3.35 0.56 0.00 4.34 5.02 -1.26 -3.74 118.16 119.72 2e5h n LYS 45 Ca 0.10 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2e5h n LYS 45 Cb 0.60 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2e5h n ASP 46 N -4.40 0.00 -0.31 4.39 8.00 -1.26 -4.16 116.55 118.81 2e5h n ASP 46 Ca -0.35 0.44 0.06 0.00 0.71 0.00 0.00 54.79 55.65 2e5h n ASP 46 Cb 0.69 -0.31 0.21 0.00 -0.02 0.00 0.00 41.12 41.69 2e5h n ASP 46 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2e5h h THR 47 N 0.00 0.84 -3.89 -3.53 1.35 -2.01 -3.46 112.91 102.21 2e5h h THR 47 Ca 0.00 -0.27 -0.20 0.00 -0.55 0.00 0.00 66.41 65.39 2e5h h THR 47 Cb 0.00 -0.01 0.09 0.00 -1.73 0.00 0.00 68.15 66.49 2e5h h THR 47 CO 0.00 0.14 -0.41 -1.14 -0.25 0.00 0.00 175.52 173.87 2e5h n ARG 48 N -4.75 -4.03 -4.38 4.72 0.63 -1.25 -5.00 116.66 102.61 2e5h n ARG 48 Ca 0.17 0.47 -0.19 0.00 -0.92 0.00 0.00 57.85 57.37 2e5h n ARG 48 Cb 0.36 -4.38 -0.10 0.00 0.45 0.00 0.00 32.46 28.79 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2e5h s LYS 49 N -5.19 1.42 0.06 -0.14 -0.14 -1.26 -4.78 119.74 109.71 2e5h s LYS 49 Ca 0.14 -1.69 -0.20 0.00 -1.36 0.00 0.00 55.97 52.87 2e5h s LYS 49 Cb -0.06 -1.02 -0.12 0.00 -1.68 0.00 0.00 37.83 34.95 2e5h s LYS 49 CO 0.41 0.06 1.41 1.03 -0.76 0.00 0.00 175.35 177.50 2e5h h SER 50 N 2.43 0.41 -1.19 2.83 0.87 -1.93 -2.24 113.55 114.71 2e5h h SER 50 Ca -0.39 -0.41 -0.25 0.00 -1.23 0.00 0.00 61.79 59.51 2e5h h SER 50 Cb 1.23 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 2e5h h SER 50 CO 0.65 0.73 -0.28 0.29 -0.53 0.00 0.00 176.83 177.69 2e5h n LYS 51 N -4.58 -0.93 0.00 2.24 5.02 -1.26 -3.05 118.16 115.60 2e5h n LYS 51 Ca -0.05 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 2e5h n LYS 51 Cb 0.32 -4.88 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 2e5h n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2e5h n GLY 52 N -1.23 1.35 3.52 0.72 0.00 -1.24 -4.33 105.19 103.97 2e5h n GLY 52 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2e5h n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2e5h n VAL 53 N 0.00 0.01 -4.05 1.61 0.31 -1.17 -3.36 118.33 111.68 2e5h n VAL 53 Ca 0.00 -0.47 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 2e5h n VAL 53 Cb 0.00 -1.95 -0.13 0.00 -0.91 0.00 0.00 33.84 30.85 2e5h n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e5h s ALA 54 N 10.23 0.33 -0.19 3.52 0.00 0.64 -1.17 121.76 135.12 2e5h s ALA 54 Ca 1.11 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 2e5h s ALA 54 Cb -0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2e5h s ALA 54 CO 0.37 0.02 0.00 -0.06 0.00 0.00 0.00 175.76 176.09 2e5h s PHE 55 N -0.59 3.06 -0.24 0.00 0.40 0.24 -1.43 117.98 119.41 2e5h s PHE 55 Ca -0.04 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 2e5h s PHE 55 Cb -0.05 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 2e5h s PHE 55 CO -0.00 -0.14 0.09 0.42 0.70 0.00 0.00 175.22 176.29 2e5h s ILE 56 N 0.78 4.57 -0.30 0.64 -1.09 -0.59 0.14 121.20 125.35 2e5h s ILE 56 Ca 0.00 -0.09 -0.17 0.00 -2.23 0.00 0.00 60.65 58.16 2e5h s ILE 56 Cb -0.14 -3.13 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 2e5h s ILE 56 CO 0.02 0.35 0.48 -0.22 -1.23 0.00 0.00 174.94 174.34 2e5h s LEU 57 N 1.37 4.16 0.46 2.97 0.20 -0.64 0.69 118.68 127.89 2e5h s LEU 57 Ca 0.05 0.26 0.08 0.00 0.69 0.00 0.00 54.13 55.22 2e5h s LEU 57 Cb -0.15 -2.58 0.03 0.00 -0.43 0.00 0.00 46.19 43.06 2e5h s LEU 57 CO 0.04 -0.33 0.61 -0.36 -0.29 0.00 0.00 176.35 176.02 2e5h s PHE 58 N 2.28 2.41 -0.16 5.38 0.40 -1.26 -2.18 117.98 124.85 2e5h s PHE 58 Ca 0.19 -0.50 -0.21 0.00 -0.60 0.00 0.00 56.93 55.80 2e5h s PHE 58 Cb -0.16 -2.31 -0.23 0.00 0.51 0.00 0.00 43.02 40.83 2e5h s PHE 58 CO 0.11 -0.59 0.44 1.25 0.70 0.00 0.00 175.22 177.13 2e5h h LEU 59 N 0.55 0.12 -8.09 -0.37 5.85 -1.88 -3.44 115.31 108.05 2e5h h LEU 59 Ca -0.37 -0.73 -0.64 0.00 0.84 0.00 0.00 57.88 56.97 2e5h h LEU 59 Cb 1.28 -0.04 -0.35 0.00 0.37 0.00 0.00 40.66 41.93 2e5h h LEU 59 CO 0.45 1.43 -0.86 -0.62 -0.34 0.00 0.00 178.44 178.51 2e5h s ASP 60 N -6.77 2.90 0.26 1.25 2.15 -1.26 -5.02 116.67 110.17 2e5h s ASP 60 Ca -0.24 -0.55 -0.07 0.00 0.43 0.00 0.00 52.55 52.12 2e5h s ASP 60 Cb 0.04 -1.33 0.45 0.00 -0.30 0.00 0.00 42.92 41.78 2e5h s ASP 60 CO 0.67 0.04 1.61 0.50 -0.17 0.00 0.00 175.17 177.81 2e5h h LYS 61 N 7.52 0.05 -0.93 4.34 3.64 -1.89 0.44 116.57 129.74 2e5h h LYS 61 Ca -0.35 -0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.27 2e5h h LYS 61 Cb 1.17 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 2e5h h LYS 61 CO 0.55 0.03 0.45 -0.44 -2.27 0.00 0.00 179.45 177.77 2e5h h ASP 62 N 0.05 0.41 -0.37 4.20 3.32 -1.97 0.27 116.42 122.33 2e5h h ASP 62 Ca 0.43 0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.50 2e5h h ASP 62 Cb 0.76 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2e5h h ASP 62 CO -0.78 -0.01 -0.32 0.28 -1.72 0.00 0.00 179.24 176.70 2e5h h SER 63 N 0.42 0.95 0.16 6.45 0.02 -0.53 -3.22 113.55 117.80 2e5h h SER 63 Ca 0.60 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2e5h h SER 63 Cb 1.18 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2e5h h SER 63 CO -0.54 1.18 -0.08 0.00 -1.14 0.00 0.00 176.83 176.25 2e5h h ALA 64 N 0.87 -0.22 -0.71 3.77 0.00 0.07 -3.05 119.26 119.99 2e5h h ALA 64 Ca 0.08 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2e5h h ALA 64 Cb 0.90 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2e5h h ALA 64 CO 0.08 -0.63 -0.43 1.96 0.00 0.00 0.00 179.25 180.23 2e5h h GLN 65 N -0.22 -0.15 -0.93 0.00 4.20 -1.18 0.20 115.11 117.02 2e5h h GLN 65 Ca -0.02 0.01 0.24 0.00 0.06 0.00 0.00 58.65 58.93 2e5h h GLN 65 Cb 0.17 0.03 -0.17 0.00 0.30 0.00 0.00 27.48 27.82 2e5h h GLN 65 CO 0.03 -0.10 -0.02 -0.97 -0.67 0.00 0.00 178.83 177.11 2e5h h ASN 66 N -0.15 -0.51 -0.35 1.46 -0.73 -1.56 0.47 115.58 114.21 2e5h h ASN 66 Ca 0.22 0.26 -0.10 0.00 1.87 0.00 0.00 56.30 58.55 2e5h h ASN 66 Cb 0.55 0.47 -0.01 0.00 0.27 0.00 0.00 38.32 39.61 2e5h h ASN 66 CO -0.77 -0.31 -0.17 0.00 -0.37 0.00 0.00 177.43 175.81 2e5h n THR 68 N -4.32 1.71 0.01 0.00 -1.04 0.15 -1.61 114.28 109.17 2e5h n THR 68 Ca -0.02 0.45 0.02 0.00 -2.04 0.00 0.00 64.05 62.45 2e5h n THR 68 Cb 0.40 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.50 2e5h n THR 68 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2e5h n ARG 69 N -1.55 0.60 -0.02 -2.82 0.00 -0.26 -3.94 116.66 108.67 2e5h n ARG 69 Ca 0.01 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.85 57.67 2e5h n ARG 69 Cb 0.04 -1.04 -0.13 0.00 0.00 0.00 0.00 32.46 31.33 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2e5h h ALA 70 N 0.30 -0.03 0.00 5.13 0.00 0.68 -3.36 119.26 121.98 2e5h h ALA 70 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 2e5h h ALA 70 Cb 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2e5h h ALA 70 CO 0.00 0.14 -1.47 0.44 0.00 0.00 0.00 179.25 178.36 2e5h n ILE 71 N -4.43 1.27 -1.63 0.00 -5.35 -0.66 -4.89 119.36 103.67 2e5h n ILE 71 Ca -0.11 -0.71 -0.47 0.00 -0.27 0.00 0.00 62.75 61.18 2e5h n ILE 71 Cb 0.60 -0.80 -0.04 0.00 -1.74 0.00 0.00 39.64 37.66 2e5h n ILE 71 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2e5h n ASN 72 N -2.92 2.33 -3.20 7.28 5.15 -1.25 -2.29 115.26 120.36 2e5h n ASN 72 Ca -0.11 1.12 -0.15 0.00 -0.60 0.00 0.00 54.58 54.84 2e5h n ASN 72 Cb 0.88 -1.34 0.08 0.00 -0.53 0.00 0.00 39.78 38.87 2e5h n ASN 72 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2e5h n ASN 73 N 2.53 -3.51 -3.46 1.20 4.13 -1.23 -4.90 115.26 110.03 2e5h n ASN 73 Ca 0.15 -0.60 -0.14 0.00 1.68 0.00 0.00 54.58 55.67 2e5h n ASN 73 Cb 0.27 -4.81 -0.05 0.00 -1.54 0.00 0.00 39.78 33.65 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2e5h s LYS 74 N -4.92 1.77 -0.14 3.52 -0.14 -0.97 -5.06 119.74 113.80 2e5h s LYS 74 Ca 0.15 -1.70 0.02 0.00 -1.36 0.00 0.00 55.97 53.08 2e5h s LYS 74 Cb -0.02 0.42 0.01 0.00 -1.68 0.00 0.00 37.83 36.56 2e5h s LYS 74 CO 0.68 -0.72 -0.22 -0.65 -0.76 0.00 0.00 175.35 173.69 2e5h s GLN 75 N -3.34 3.04 0.07 1.68 1.11 -1.26 -1.72 119.66 119.24 2e5h s GLN 75 Ca 0.31 -0.85 0.04 0.00 0.01 0.00 0.00 55.36 54.88 2e5h s GLN 75 Cb 0.01 -2.44 -0.03 0.00 -1.01 0.00 0.00 33.01 29.54 2e5h s GLN 75 CO 0.19 0.00 -0.13 -0.51 0.01 0.00 0.00 175.29 174.85 2e5h s LEU 76 N 0.78 2.28 -0.11 2.90 1.02 -0.90 -4.77 118.68 119.87 2e5h s LEU 76 Ca -0.08 -0.62 0.00 0.00 0.02 0.00 0.00 54.13 53.45 2e5h s LEU 76 Cb -0.16 -0.43 0.00 0.00 0.02 0.00 0.00 46.19 45.63 2e5h s LEU 76 CO -0.01 -0.12 0.00 0.49 0.02 0.00 0.00 176.35 176.73 2e5h n PHE 77 N 1.25 -1.73 -2.78 0.29 3.01 -1.26 0.12 117.46 116.36 2e5h n PHE 77 Ca -0.21 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.17 2e5h n PHE 77 Cb 0.54 -1.17 0.03 0.00 -0.01 0.00 0.00 39.48 38.88 2e5h n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2e5h n GLY 78 N -0.43 0.28 3.51 1.37 0.00 -1.26 -5.01 105.19 103.66 2e5h n GLY 78 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2e5h n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e5h s ARG 79 N -5.12 0.41 -0.18 1.61 1.70 0.32 -5.12 118.95 112.57 2e5h s ARG 79 Ca 0.14 1.04 -0.33 0.00 -0.47 0.00 0.00 55.73 56.11 2e5h s ARG 79 Cb -0.06 0.63 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 2e5h s ARG 79 CO 0.28 -0.14 2.06 0.28 -1.08 0.00 0.00 175.30 176.69 2e5h n VAL 80 N 5.17 0.43 -3.76 4.99 0.31 -1.26 -2.13 118.33 122.08 2e5h n VAL 80 Ca -0.10 -0.24 -0.37 0.00 -0.01 0.00 0.00 64.34 63.62 2e5h n VAL 80 Cb 0.51 -2.03 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 2e5h n VAL 80 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2e5h s ILE 81 N 6.05 5.41 -0.13 2.52 1.01 -0.70 -4.64 121.20 130.72 2e5h s ILE 81 Ca 0.99 0.32 -0.00 0.00 0.00 0.00 0.00 60.65 61.95 2e5h s ILE 81 Cb -0.62 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 2e5h s ILE 81 CO 0.46 0.55 -0.12 -0.54 0.00 0.00 0.00 174.94 175.29 2e5h s LYS 82 N -0.55 3.40 -0.01 2.79 3.01 -1.11 -3.50 119.74 123.77 2e5h s LYS 82 Ca 0.15 -0.67 0.07 0.00 -1.01 0.00 0.00 55.97 54.50 2e5h s LYS 82 Cb -0.12 -2.66 -0.02 0.00 -1.01 0.00 0.00 37.83 34.01 2e5h s LYS 82 CO 0.04 0.20 -0.23 0.00 0.51 0.00 0.00 175.35 175.87 2e5h s ALA 83 N 0.38 2.33 -0.27 5.17 0.00 -1.26 -1.29 121.76 126.82 2e5h s ALA 83 Ca -0.10 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 2e5h s ALA 83 Cb -0.16 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.39 2e5h s ALA 83 CO 0.05 0.54 0.77 -1.12 0.00 0.00 0.00 175.76 176.00 2e5h s SER 84 N -0.78 -0.73 -0.19 0.00 0.01 0.12 -4.82 113.70 107.30 2e5h s SER 84 Ca 0.11 1.35 -0.28 0.00 1.31 0.00 0.00 55.95 58.43 2e5h s SER 84 Cb -0.10 1.35 -0.05 0.00 0.21 0.00 0.00 66.02 67.43 2e5h s SER 84 CO 0.00 -0.23 2.08 -0.63 0.41 0.00 0.00 173.24 174.88 2e5h s ILE 85 N 0.65 3.12 -0.85 1.44 -1.09 -1.26 0.27 121.20 123.49 2e5h s ILE 85 Ca -0.02 0.13 -0.25 0.00 -2.23 0.00 0.00 60.65 58.28 2e5h s ILE 85 Cb -0.05 -3.15 -0.07 0.00 -1.58 0.00 0.00 42.46 37.62 2e5h s ILE 85 CO -0.05 -0.08 2.05 0.00 -1.23 0.00 0.00 174.94 175.63 2e5h s ALA 86 N 7.31 1.49 0.00 9.38 0.00 -1.24 -4.85 121.76 133.85 2e5h s ALA 86 Ca 0.94 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2e5h s ALA 86 Cb -0.32 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 18.26 2e5h s ALA 86 CO 0.35 -4.98 0.00 0.44 0.00 0.00 0.00 175.76 171.58