#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 -0.07 0.54 1.61 1.04 -1.26 -5.14 113.70 110.42 2e5h s SER -5 Ca 0.00 0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.26 2e5h s SER -5 Cb 0.00 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 2e5h s SER -5 CO 0.00 -0.22 1.35 -0.94 0.98 0.00 0.00 173.24 174.41 2e5h s SER -4 N -0.68 5.33 0.08 7.02 1.04 -1.26 -4.99 113.70 120.25 2e5h s SER -4 Ca -0.08 2.75 -0.16 0.00 0.48 0.00 0.00 55.95 58.94 2e5h s SER -4 Cb -0.05 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.38 2e5h s SER -4 CO 0.01 -1.52 0.52 -0.83 0.98 0.00 0.00 173.24 172.39 2e5h s GLY -3 N -0.96 2.53 -0.45 7.32 0.00 -1.26 -4.98 107.32 109.52 2e5h s GLY -3 Ca 0.71 -0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 2e5h s GLY -3 CO 0.47 0.24 2.22 1.44 0.00 0.00 0.00 173.10 177.48 2e5h n SER -2 N 1.35 6.77 -0.25 1.64 7.64 -1.26 -4.69 113.62 124.82 2e5h n SER -2 Ca -0.09 -3.28 -0.01 0.00 1.01 0.00 0.00 58.87 56.50 2e5h n SER -2 Cb 0.52 -1.09 0.06 0.00 -1.01 0.00 0.00 64.21 62.69 2e5h n SER -2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2e5h h SER -1 N 2.06 -0.88 -1.49 6.43 4.64 -2.03 -3.46 113.55 118.81 2e5h h SER -1 Ca 0.39 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2e5h h SER -1 Cb 0.79 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2e5h h SER -1 CO 0.99 -0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 2e5h n GLY 0 N -1.48 -0.96 3.58 -0.77 0.00 -1.26 -5.02 105.19 99.29 2e5h n GLY 0 Ca 0.08 -1.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 2e5h n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2e5h s MET 1 N 0.00 0.42 -0.15 1.61 0.00 -1.26 -5.09 119.30 114.83 2e5h s MET 1 Ca 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 55.69 55.48 2e5h s MET 1 Cb 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 34.83 34.97 2e5h s MET 1 CO 0.00 -0.16 -0.31 0.43 0.00 0.00 0.00 175.02 174.98 2e5h n SER 2 N 0.22 1.83 0.00 1.11 7.64 -1.26 -5.07 113.62 118.08 2e5h n SER 2 Ca -0.04 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2e5h n SER 2 Cb 0.59 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2e5h n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e5h n GLY 3 N 1.70 2.94 7.00 0.23 0.00 -1.26 -5.05 105.19 110.75 2e5h n GLY 3 Ca -0.15 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 5.00 -0.74 3.66 -0.02 0.00 -1.26 -4.78 105.19 107.04 2e5h n GLY 4 Ca 0.00 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2e5h n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2e5h n LEU 5 N 0.00 2.89 -4.49 0.99 0.00 -1.26 -4.97 117.00 110.16 2e5h n LEU 5 Ca 0.00 1.19 -0.36 0.00 0.00 0.00 0.00 56.01 56.84 2e5h n LEU 5 Cb 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 43.42 41.89 2e5h n LEU 5 CO 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 177.39 176.30 2e5h s ALA 6 N -1.02 3.21 1.15 1.96 0.00 -1.26 -5.05 121.76 120.75 2e5h s ALA 6 Ca 0.57 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 2e5h s ALA 6 Cb -0.62 -2.03 0.26 0.00 0.00 0.00 0.00 23.12 20.73 2e5h s ALA 6 CO 0.61 -0.32 1.10 -1.25 0.00 0.00 0.00 175.76 175.90 2e5h s PRO 7 N 1.31 -0.83 0.08 0.00 0.04 -1.26 -5.09 135.00 129.24 2e5h s PRO 7 Ca 0.05 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 60.94 2e5h s PRO 7 Cb -0.15 -1.63 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2e5h s PRO 7 CO 0.03 -3.48 0.56 -1.12 0.04 0.00 0.00 177.00 173.03 2e5h s SER 8 N -3.77 -0.49 0.54 6.66 0.01 -1.01 -4.92 113.70 110.72 2e5h s SER 8 Ca 0.69 0.14 0.33 0.00 1.31 0.00 0.00 55.95 58.42 2e5h s SER 8 Cb -0.12 0.53 1.49 0.00 0.21 0.00 0.00 66.02 68.13 2e5h s SER 8 CO 0.56 -0.80 1.86 0.07 0.41 0.00 0.00 173.24 175.35 2e5h h LYS 9 N 2.50 0.01 0.19 12.44 -0.00 -1.95 -0.91 116.57 128.85 2e5h h LYS 9 Ca -0.32 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.32 2e5h h LYS 9 Cb 1.24 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 2e5h h LYS 9 CO 0.40 0.01 -0.09 0.66 -0.00 0.00 0.00 179.45 180.43 2e5h h SER 10 N 0.01 -0.21 -2.65 7.07 4.64 -1.90 -3.46 113.55 117.05 2e5h h SER 10 Ca 0.47 -0.30 -0.56 0.00 -0.47 0.00 0.00 61.79 60.92 2e5h h SER 10 Cb 1.85 0.06 0.20 0.00 -0.31 0.00 0.00 62.40 64.20 2e5h h SER 10 CO -0.01 0.24 -0.99 0.41 -0.87 0.00 0.00 176.83 175.61 2e5h n THR 11 N -5.00 0.66 -3.83 2.95 -1.04 -0.35 -4.27 114.28 103.40 2e5h n THR 11 Ca -0.09 -0.42 -0.26 0.00 -2.04 0.00 0.00 64.05 61.24 2e5h n THR 11 Cb 0.26 -0.36 -0.17 0.00 -1.82 0.00 0.00 70.33 68.24 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 -2.02 0.79 -0.61 12.58 1.01 0.28 -3.91 120.40 128.51 2e5h s VAL 12 Ca 0.55 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 2e5h s VAL 12 Cb -0.32 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2e5h s VAL 12 CO 0.68 0.14 1.54 -0.47 0.00 0.00 0.00 175.10 177.00 2e5h s TYR 13 N 1.78 2.06 -0.25 5.22 6.14 0.14 -1.89 117.35 130.56 2e5h s TYR 13 Ca 0.02 0.45 0.00 0.00 0.64 0.00 0.00 57.07 58.19 2e5h s TYR 13 Cb -0.14 -4.34 0.04 0.00 0.42 0.00 0.00 41.96 37.93 2e5h s TYR 13 CO -0.07 -2.15 -0.09 0.08 0.64 0.00 0.00 175.55 173.95 2e5h s VAL 14 N 6.98 2.55 0.45 3.14 1.01 -0.41 -1.15 120.40 132.98 2e5h s VAL 14 Ca 0.54 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2e5h s VAL 14 Cb -0.11 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.96 2e5h s VAL 14 CO 0.22 0.15 0.31 -0.24 0.00 0.00 0.00 175.10 175.54 2e5h n SER 15 N 4.59 2.48 -2.10 3.32 2.88 -0.80 -0.00 113.62 123.98 2e5h n SER 15 Ca -0.16 -2.56 -0.19 0.00 -1.33 0.00 0.00 58.87 54.63 2e5h n SER 15 Cb 0.46 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 2e5h n SER 15 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2e5h n ASN 16 N -1.83 -5.30 -4.81 -3.46 4.13 -1.25 -3.40 115.26 99.34 2e5h n ASN 16 Ca -0.03 0.19 -0.36 0.00 1.68 0.00 0.00 54.58 56.06 2e5h n ASN 16 Cb 0.51 -4.53 -0.06 0.00 -1.54 0.00 0.00 39.78 34.16 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 -5.43 4.35 -1.08 3.41 1.43 -1.15 -4.60 118.68 115.61 2e5h s LEU 17 Ca 0.00 1.43 -0.23 0.00 -1.03 0.00 0.00 54.13 54.30 2e5h s LEU 17 Cb 0.00 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 2e5h s LEU 17 CO 0.00 0.03 1.94 -2.16 0.23 0.00 0.00 176.35 176.39 2e5h s PRO 18 N -1.96 2.52 0.58 1.29 0.04 -1.26 -4.01 135.00 132.19 2e5h s PRO 18 Ca 0.43 -0.83 0.39 0.00 0.04 0.00 0.00 61.00 61.03 2e5h s PRO 18 Cb -0.17 -5.17 1.40 0.00 0.04 0.00 0.00 34.50 30.60 2e5h s PRO 18 CO 0.21 -3.75 1.51 0.27 0.04 0.00 0.00 177.00 175.28 2e5h h PHE 19 N 10.32 0.00 -1.58 0.56 -0.00 -1.93 0.16 116.94 124.47 2e5h h PHE 19 Ca 0.17 0.00 0.48 0.00 -0.00 0.00 0.00 57.97 58.62 2e5h h PHE 19 Cb 0.96 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 36.82 2e5h h PHE 19 CO 1.21 0.00 1.10 0.77 -0.00 0.00 0.00 178.31 181.40 2e5h h SER 20 N 0.00 0.10 -4.09 -0.68 0.02 -2.03 -3.39 113.55 103.47 2e5h h SER 20 Ca 0.69 0.05 -0.45 0.00 -0.84 0.00 0.00 61.79 61.24 2e5h h SER 20 Cb 3.15 0.05 0.15 0.00 0.14 0.00 0.00 62.40 65.89 2e5h h SER 20 CO -0.01 -0.07 0.39 -0.76 -1.14 0.00 0.00 176.83 175.25 2e5h s LEU 21 N -8.58 2.46 0.32 5.07 1.43 0.56 -5.10 118.68 114.84 2e5h s LEU 21 Ca -0.06 0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 2e5h s LEU 21 Cb 0.27 -2.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 2e5h s LEU 21 CO 0.85 -2.71 -0.07 0.28 0.23 0.00 0.00 176.35 174.93 2e5h s THR 22 N -3.73 1.95 0.27 5.49 -1.32 -1.26 -4.99 115.64 112.05 2e5h s THR 22 Ca 0.71 -2.15 -0.10 0.00 -1.21 0.00 0.00 61.69 58.94 2e5h s THR 22 Cb -0.06 -2.60 0.41 0.00 -1.51 0.00 0.00 72.50 68.75 2e5h s THR 22 CO 0.53 -0.22 1.56 0.59 -2.21 0.00 0.00 174.62 174.86 2e5h n ASN 23 N -0.72 -0.42 -0.12 8.08 4.13 -1.26 0.39 115.26 125.34 2e5h n ASN 23 Ca -0.05 1.72 -0.05 0.00 1.68 0.00 0.00 54.58 57.88 2e5h n ASN 23 Cb 0.64 -0.49 0.02 0.00 -1.54 0.00 0.00 39.78 38.40 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 -0.25 0.10 6.41 -0.73 -2.00 -1.38 115.58 117.74 2e5h h ASN 24 Ca 0.45 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.73 2e5h h ASN 24 Cb 0.70 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 2e5h h ASN 24 CO -1.02 -0.08 -0.27 0.44 -0.37 0.00 0.00 177.43 176.13 2e5h h ASP 25 N 0.06 -0.79 -0.68 1.15 5.19 -0.45 -2.60 116.42 118.29 2e5h h ASP 25 Ca 0.19 0.08 0.13 0.00 -0.62 0.00 0.00 57.03 56.81 2e5h h ASP 25 Cb 0.28 0.29 -0.13 0.00 0.18 0.00 0.00 39.33 39.95 2e5h h ASP 25 CO -0.36 -0.30 -0.24 -0.07 -3.12 0.00 0.00 179.24 175.16 2e5h h LEU 26 N -0.41 -0.85 -0.91 1.55 3.38 -1.22 0.65 115.31 117.50 2e5h h LEU 26 Ca -0.01 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.32 2e5h h LEU 26 Cb 0.40 0.50 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 2e5h h LEU 26 CO -0.12 -0.26 -0.40 0.22 0.09 0.00 0.00 178.44 177.96 2e5h h TYR 27 N -0.05 -1.15 -0.16 1.13 5.03 -0.89 0.32 116.97 121.21 2e5h h TYR 27 Ca 0.31 0.10 -0.04 0.00 2.58 0.00 0.00 58.73 61.68 2e5h h TYR 27 Cb 0.54 0.63 -0.00 0.00 1.55 0.00 0.00 36.73 39.45 2e5h h TYR 27 CO -0.60 -0.40 -0.07 0.00 -1.32 0.00 0.00 178.16 175.76 2e5h h ARG 28 N -0.04 0.33 -1.00 1.82 3.08 -0.80 -0.06 114.38 117.71 2e5h h ARG 28 Ca 0.30 -0.14 0.23 0.00 0.07 0.00 0.00 59.98 60.43 2e5h h ARG 28 Cb 0.57 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.51 2e5h h ARG 28 CO -0.92 0.65 0.62 0.82 -1.07 0.00 0.00 179.97 180.07 2e5h h ILE 29 N 0.01 0.62 -0.01 2.04 2.04 0.11 0.53 117.51 122.86 2e5h h ILE 29 Ca 0.04 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2e5h h ILE 29 Cb 0.54 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2e5h h ILE 29 CO 0.02 0.10 -0.48 0.49 0.00 0.00 0.00 178.15 178.29 2e5h n PHE 30 N -4.71 0.00 0.93 1.37 3.72 0.93 -3.90 117.46 115.79 2e5h n PHE 30 Ca 0.24 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 2e5h n PHE 30 Cb 0.71 -0.12 0.55 0.00 -0.94 0.00 0.00 39.48 39.68 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 -0.91 0.00 0.21 4.37 2.88 0.19 -2.80 113.62 117.55 2e5h n SER 31 Ca 0.09 0.31 0.09 0.00 -1.33 0.00 0.00 58.87 58.03 2e5h n SER 31 Cb 0.36 -0.43 0.30 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.64 -3.33 116.57 112.23 2e5h h LYS 32 Ca 0.00 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 58.23 2e5h h LYS 32 Cb 0.35 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.61 2e5h h LYS 32 CO 0.00 0.22 -2.47 0.66 -2.00 0.00 0.00 179.45 175.86 2e5h n TYR 33 N -3.24 0.00 -3.57 0.07 4.01 -1.13 -5.06 117.16 108.24 2e5h n TYR 33 Ca 0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 2e5h n TYR 33 Cb 0.52 -0.97 -0.04 0.00 -0.31 0.00 0.00 39.34 38.55 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 -5.96 -0.37 0.19 2.72 0.00 -1.12 -4.89 107.32 97.88 2e5h s GLY 34 Ca -0.36 0.11 -0.31 0.00 0.00 0.00 0.00 44.72 44.17 2e5h s GLY 34 CO 0.53 -0.15 1.48 1.25 0.00 0.00 0.00 173.10 176.21 2e5h s LYS 35 N -3.79 4.26 -0.16 2.90 2.36 -1.26 -3.94 119.74 120.10 2e5h s LYS 35 Ca 0.03 2.28 -0.08 0.00 -2.55 0.00 0.00 55.97 55.65 2e5h s LYS 35 Cb 0.01 -3.15 -0.04 0.00 -1.05 0.00 0.00 37.83 33.59 2e5h s LYS 35 CO -0.11 -0.50 0.12 0.08 1.55 0.00 0.00 175.35 176.49 2e5h s VAL 36 N 0.69 5.34 -0.20 4.02 1.01 -1.26 -2.07 120.40 127.93 2e5h s VAL 36 Ca 0.65 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.87 2e5h s VAL 36 Cb -0.42 -3.38 -0.18 0.00 0.00 0.00 0.00 36.38 32.40 2e5h s VAL 36 CO 0.36 0.53 -0.09 0.52 0.00 0.00 0.00 175.10 176.42 2e5h n VAL 37 N 2.81 1.27 -3.74 2.92 0.31 -0.93 -4.87 118.33 116.10 2e5h n VAL 37 Ca -0.18 -0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 63.40 2e5h n VAL 37 Cb 0.53 -0.96 -0.08 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.70 -0.28 5.55 1.02 -1.24 -5.07 119.74 117.98 2e5h s LYS 38 Ca -0.21 -0.16 0.03 0.00 0.02 0.00 0.00 55.97 55.65 2e5h s LYS 38 Cb 0.07 0.31 0.07 0.00 -0.52 0.00 0.00 37.83 37.76 2e5h s LYS 38 CO 0.61 -0.20 -0.08 0.08 -0.92 0.00 0.00 175.35 174.85 2e5h s VAL 39 N -1.32 2.26 -0.06 3.17 1.01 -1.26 -1.88 120.40 122.31 2e5h s VAL 39 Ca -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 2e5h s VAL 39 Cb -0.05 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2e5h s VAL 39 CO 0.05 -0.12 0.16 -0.89 0.00 0.00 0.00 175.10 174.30 2e5h s THR 40 N 1.09 5.41 -0.01 3.92 2.01 0.17 -5.00 115.64 123.23 2e5h s THR 40 Ca -0.06 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2e5h s THR 40 Cb -0.20 -3.45 -0.00 0.00 0.01 0.00 0.00 72.50 68.86 2e5h s THR 40 CO -0.05 0.45 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.65 2e5h s ILE 41 N -1.19 0.43 0.72 1.82 1.01 -1.26 0.99 121.20 123.72 2e5h s ILE 41 Ca 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 2e5h s ILE 41 Cb -0.12 -0.37 0.09 0.00 0.01 0.00 0.00 42.46 42.07 2e5h s ILE 41 CO 0.12 0.13 1.01 -0.04 0.00 0.00 0.00 174.94 176.16 2e5h s MET 42 N -0.08 1.88 0.00 2.79 -1.94 -0.84 -4.91 119.30 116.21 2e5h s MET 42 Ca 0.02 -0.61 -0.19 0.00 -1.71 0.00 0.00 55.69 53.19 2e5h s MET 42 Cb -0.03 -2.22 0.04 0.00 2.01 0.00 0.00 34.83 34.63 2e5h s MET 42 CO -0.00 -1.38 0.42 0.15 -0.01 0.00 0.00 175.02 174.20 2e5h s LYS 43 N -5.23 0.84 0.67 2.03 1.02 -1.26 -3.92 119.74 113.89 2e5h s LYS 43 Ca 0.63 -0.19 -0.11 0.00 0.02 0.00 0.00 55.97 56.32 2e5h s LYS 43 Cb -0.08 0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 37.60 2e5h s LYS 43 CO 0.45 -0.26 1.07 0.34 -0.92 0.00 0.00 175.35 176.02 2e5h s ASP 44 N -1.59 5.74 0.00 2.83 2.15 -1.15 -4.87 116.67 119.77 2e5h s ASP 44 Ca -0.10 1.30 0.27 0.00 0.43 0.00 0.00 52.55 54.45 2e5h s ASP 44 Cb -0.02 -2.21 0.84 0.00 -0.30 0.00 0.00 42.92 41.23 2e5h s ASP 44 CO 0.02 -1.17 1.63 0.29 -0.17 0.00 0.00 175.17 175.77 2e5h n LYS 45 N -2.92 0.35 0.00 4.34 4.76 -1.26 -3.21 118.16 120.21 2e5h n LYS 45 Ca 0.07 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2e5h n LYS 45 Cb 0.55 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2e5h n ASP 46 N -1.18 0.00 0.26 4.39 9.92 -1.26 -4.79 116.55 123.89 2e5h n ASP 46 Ca 0.09 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.47 2e5h n ASP 46 Cb 0.33 -0.04 0.71 0.00 -0.64 0.00 0.00 41.12 41.48 2e5h n ASP 46 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2e5h h THR 47 N 0.00 0.69 -5.89 -3.53 1.35 -2.00 -3.46 112.91 100.07 2e5h h THR 47 Ca 0.00 -0.45 -0.39 0.00 -0.55 0.00 0.00 66.41 65.02 2e5h h THR 47 Cb 0.00 1.27 0.11 0.00 -1.73 0.00 0.00 68.15 67.80 2e5h h THR 47 CO 0.00 0.11 -0.75 0.54 -0.25 0.00 0.00 175.52 175.17 2e5h n ARG 48 N -3.84 -6.57 -4.61 4.72 1.74 -1.20 -4.93 116.66 101.97 2e5h n ARG 48 Ca -0.02 0.76 -0.29 0.00 -0.77 0.00 0.00 57.85 57.53 2e5h n ARG 48 Cb 0.21 -5.69 -0.14 0.00 -1.02 0.00 0.00 32.46 25.82 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2e5h s LYS 49 N -5.96 1.58 0.35 5.56 -0.14 -1.26 -4.69 119.74 115.18 2e5h s LYS 49 Ca 0.28 -1.25 0.22 0.00 -1.36 0.00 0.00 55.97 53.86 2e5h s LYS 49 Cb -0.13 -1.94 1.26 0.00 -1.68 0.00 0.00 37.83 35.34 2e5h s LYS 49 CO 0.76 0.48 1.43 0.45 -0.76 0.00 0.00 175.35 177.70 2e5h n SER 50 N 1.28 0.28 -1.87 2.83 2.88 -1.25 -2.92 113.62 114.85 2e5h n SER 50 Ca -0.17 1.44 -0.20 0.00 -1.33 0.00 0.00 58.87 58.61 2e5h n SER 50 Cb 0.53 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 63.24 2e5h n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2e5h n LYS 51 N -4.91 -1.47 0.00 -1.46 4.76 -1.26 -2.65 118.16 111.17 2e5h n LYS 51 Ca 0.35 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.86 2e5h n LYS 51 Cb 1.24 -5.53 0.00 0.00 -1.84 0.00 0.00 35.03 28.89 2e5h n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2e5h n GLY 52 N -0.79 1.02 3.60 0.72 0.00 -1.26 -4.59 105.19 103.89 2e5h n GLY 52 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 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 0.42 -3.96 1.61 0.31 -1.09 -2.93 118.33 112.70 2e5h n VAL 53 Ca 0.00 -0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 2e5h n VAL 53 Cb 0.00 -2.39 -0.15 0.00 -0.91 0.00 0.00 33.84 30.40 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 7.31 0.20 -0.23 3.52 0.00 0.99 -1.98 121.76 131.57 2e5h s ALA 54 Ca 0.99 -0.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 2e5h s ALA 54 Cb -0.43 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2e5h s ALA 54 CO 0.39 0.01 0.07 -0.06 0.00 0.00 0.00 175.76 176.17 2e5h s PHE 55 N 0.27 3.15 -0.12 0.00 0.40 0.28 -1.28 117.98 120.67 2e5h s PHE 55 Ca -0.02 -0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.09 2e5h s PHE 55 Cb -0.05 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 2e5h s PHE 55 CO -0.01 -0.15 -0.01 0.42 0.70 0.00 0.00 175.22 176.17 2e5h s ILE 56 N 1.15 4.15 -0.13 0.64 -1.09 -0.79 0.44 121.20 125.56 2e5h s ILE 56 Ca 0.05 -0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.16 2e5h s ILE 56 Cb -0.14 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 2e5h s ILE 56 CO 0.03 0.54 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.00 2e5h s LEU 57 N -0.22 3.13 0.09 2.97 0.20 -0.79 0.99 118.68 125.05 2e5h s LEU 57 Ca 0.05 -0.15 0.07 0.00 0.69 0.00 0.00 54.13 54.78 2e5h s LEU 57 Cb -0.13 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 2e5h s LEU 57 CO 0.02 0.20 -0.09 -0.36 -0.29 0.00 0.00 176.35 175.83 2e5h s PHE 58 N 0.15 2.77 0.27 5.38 0.40 -1.26 -2.19 117.98 123.49 2e5h s PHE 58 Ca -0.03 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2e5h s PHE 58 Cb -0.14 -1.46 0.59 0.00 0.51 0.00 0.00 43.02 42.53 2e5h s PHE 58 CO 0.03 0.42 1.68 1.25 0.70 0.00 0.00 175.22 179.31 2e5h h LEU 59 N 3.70 0.12 -8.08 -0.37 5.85 -1.75 -3.41 115.31 111.38 2e5h h LEU 59 Ca -0.49 0.16 -0.42 0.00 0.84 0.00 0.00 57.88 57.97 2e5h h LEU 59 Cb 1.17 0.19 -0.29 0.00 0.37 0.00 0.00 40.66 42.09 2e5h h LEU 59 CO 0.53 -0.04 -0.79 -0.62 -0.34 0.00 0.00 178.44 177.18 2e5h s ASP 60 N -5.20 1.25 0.38 1.25 2.15 -1.26 -5.03 116.67 110.21 2e5h s ASP 60 Ca -0.12 -0.19 0.09 0.00 0.43 0.00 0.00 52.55 52.76 2e5h s ASP 60 Cb 0.23 -0.17 0.85 0.00 -0.30 0.00 0.00 42.92 43.54 2e5h s ASP 60 CO 0.77 0.12 1.93 0.07 -0.17 0.00 0.00 175.17 177.89 2e5h h LYS 61 N 5.94 0.62 -0.99 4.34 5.09 -1.88 -0.93 116.57 128.76 2e5h h LYS 61 Ca -0.32 -0.04 0.23 0.00 0.09 0.00 0.00 60.65 60.61 2e5h h LYS 61 Cb 1.17 -0.14 -0.09 0.00 0.10 0.00 0.00 32.23 33.27 2e5h h LYS 61 CO 0.49 0.41 0.63 0.22 -2.09 0.00 0.00 179.45 179.11 2e5h h ASP 62 N 0.64 0.54 0.49 7.07 1.82 -1.95 0.12 116.42 125.14 2e5h h ASP 62 Ca 0.35 0.08 -0.26 0.00 -0.39 0.00 0.00 57.03 56.81 2e5h h ASP 62 Cb 0.52 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.52 2e5h h ASP 62 CO -0.13 0.16 -1.15 0.77 -1.61 0.00 0.00 179.24 177.28 2e5h h SER 63 N 0.51 0.50 0.36 2.28 4.64 -1.55 -3.32 113.55 116.97 2e5h h SER 63 Ca 0.56 -0.48 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2e5h h SER 63 Cb 1.24 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2e5h h SER 63 CO -0.30 1.34 -0.21 0.00 -0.87 0.00 0.00 176.83 176.79 2e5h h ALA 64 N 0.60 -0.53 -0.68 5.18 0.00 -0.61 -2.95 119.26 120.26 2e5h h ALA 64 Ca -0.12 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.80 2e5h h ALA 64 Cb 1.84 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.76 2e5h h ALA 64 CO 0.20 -0.81 -0.29 1.96 0.00 0.00 0.00 179.25 180.30 2e5h h GLN 65 N -0.54 -0.09 -0.27 0.00 1.08 -1.36 0.53 115.11 114.45 2e5h h GLN 65 Ca -0.04 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2e5h h GLN 65 Cb 0.44 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.83 2e5h h GLN 65 CO 0.04 -0.06 -0.47 -0.97 -0.95 0.00 0.00 178.83 176.42 2e5h h ASN 66 N -0.09 -1.55 -0.81 1.46 -1.24 -1.61 -0.55 115.58 111.17 2e5h h ASN 66 Ca 0.28 0.20 0.11 0.00 0.71 0.00 0.00 56.30 57.60 2e5h h ASN 66 Cb 0.55 0.63 -0.08 0.00 0.73 0.00 0.00 38.32 40.15 2e5h h ASN 66 CO -0.74 -0.36 0.44 0.00 -1.29 0.00 0.00 177.43 175.48 2e5h n THR 68 N -4.79 1.85 -0.01 0.00 -1.04 0.09 -1.49 114.28 108.88 2e5h n THR 68 Ca 0.14 0.46 0.01 0.00 -2.04 0.00 0.00 64.05 62.63 2e5h n THR 68 Cb 0.32 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.35 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 -1.50 1.17 -0.02 -2.82 0.63 0.10 -3.82 116.66 110.40 2e5h n ARG 69 Ca 0.01 -0.04 -0.16 0.00 -0.92 0.00 0.00 57.85 56.74 2e5h n ARG 69 Cb 0.03 -1.16 -0.10 0.00 0.45 0.00 0.00 32.46 31.68 2e5h n ARG 69 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2e5h h ALA 70 N 0.50 0.10 0.14 5.13 0.00 0.53 -3.36 119.26 122.31 2e5h h ALA 70 Ca -0.06 -0.49 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 2e5h h ALA 70 Cb 0.68 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2e5h h ALA 70 CO 0.00 0.22 -1.89 -0.84 0.00 0.00 0.00 179.25 176.74 2e5h h ILE 71 N -0.19 0.75 -0.81 0.00 3.07 -1.61 -3.46 117.51 115.25 2e5h h ILE 71 Ca -0.04 -2.42 -0.62 0.00 1.55 0.00 0.00 64.86 63.33 2e5h h ILE 71 Cb 1.08 2.60 0.05 0.00 -0.27 0.00 0.00 36.82 40.28 2e5h h ILE 71 CO 0.08 0.88 -0.04 -3.20 -1.05 0.00 0.00 178.15 174.82 2e5h n ASN 72 N -3.51 -0.19 -3.58 2.16 2.85 -1.25 -0.61 115.26 111.12 2e5h n ASN 72 Ca -0.29 0.94 -0.20 0.00 -0.11 0.00 0.00 54.58 54.92 2e5h n ASN 72 Cb 1.06 -0.75 0.07 0.00 1.24 0.00 0.00 39.78 41.39 2e5h n ASN 72 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2e5h n ASN 73 N 1.29 -2.64 -4.04 1.20 4.13 -1.24 -4.93 115.26 109.04 2e5h n ASN 73 Ca 0.16 -0.68 -0.11 0.00 1.68 0.00 0.00 54.58 55.63 2e5h n ASN 73 Cb 0.09 -4.68 -0.11 0.00 -1.54 0.00 0.00 39.78 33.54 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2e5h s LYS 74 N -5.80 0.47 -0.42 3.52 2.47 0.21 -5.05 119.74 115.15 2e5h s LYS 74 Ca 0.14 -0.78 -0.15 0.00 -1.56 0.00 0.00 55.97 53.62 2e5h s LYS 74 Cb -0.07 -0.10 0.03 0.00 -1.46 0.00 0.00 37.83 36.23 2e5h s LYS 74 CO 0.76 -0.00 0.34 -0.65 0.16 0.00 0.00 175.35 175.96 2e5h s GLN 75 N -1.87 2.99 0.04 4.03 -0.21 -1.26 -1.59 119.66 121.80 2e5h s GLN 75 Ca -0.09 -1.01 0.09 0.00 0.02 0.00 0.00 55.36 54.36 2e5h s GLN 75 Cb -0.08 -4.00 -0.03 0.00 1.00 0.00 0.00 33.01 29.91 2e5h s GLN 75 CO -0.01 -0.80 -0.25 -0.51 -2.12 0.00 0.00 175.29 171.60 2e5h s LEU 76 N 1.76 2.27 -0.58 2.90 1.02 -1.22 -4.66 118.68 120.17 2e5h s LEU 76 Ca 0.06 -0.55 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 2e5h s LEU 76 Cb -0.19 -1.34 0.00 0.00 0.02 0.00 0.00 46.19 44.68 2e5h s LEU 76 CO 0.10 0.26 0.02 0.49 0.02 0.00 0.00 176.35 177.24 2e5h n PHE 77 N 1.75 -1.69 -3.08 0.29 3.01 -1.26 -0.46 117.46 116.02 2e5h n PHE 77 Ca -0.17 0.02 -0.13 0.00 1.01 0.00 0.00 57.45 58.18 2e5h n PHE 77 Cb 0.52 -1.95 0.07 0.00 -0.01 0.00 0.00 39.48 38.11 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 -0.68 -0.16 3.15 1.37 0.00 -1.26 -4.99 105.19 102.62 2e5h n GLY 78 Ca -0.07 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.04 0.32 -0.49 1.61 1.70 0.40 -5.11 118.95 112.34 2e5h s ARG 79 Ca 0.01 0.45 -0.39 0.00 -0.47 0.00 0.00 55.73 55.32 2e5h s ARG 79 Cb -0.00 0.24 -0.16 0.00 -0.57 0.00 0.00 34.95 34.45 2e5h s ARG 79 CO 0.55 -0.46 2.22 0.28 -1.08 0.00 0.00 175.30 176.81 2e5h n VAL 80 N 5.36 0.07 -3.37 4.99 0.31 -1.26 -3.43 118.33 120.99 2e5h n VAL 80 Ca 0.01 -0.12 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 2e5h n VAL 80 Cb 0.54 -0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 32.43 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 6.93 5.21 -0.16 2.52 1.01 -0.62 -4.64 121.20 131.45 2e5h s ILE 81 Ca 1.17 0.85 -0.07 0.00 0.00 0.00 0.00 60.65 62.60 2e5h s ILE 81 Cb -1.21 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.45 2e5h s ILE 81 CO 0.57 0.35 0.07 -0.54 0.00 0.00 0.00 174.94 175.40 2e5h s LYS 82 N 0.53 3.76 -0.09 2.79 -0.14 -1.22 -3.58 119.74 121.79 2e5h s LYS 82 Ca 0.24 -0.30 0.04 0.00 -1.36 0.00 0.00 55.97 54.58 2e5h s LYS 82 Cb -0.15 -3.17 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 2e5h s LYS 82 CO 0.09 0.43 -0.21 0.00 -0.76 0.00 0.00 175.35 174.90 2e5h s ALA 83 N -0.07 1.97 -0.17 5.17 0.00 -1.25 -1.90 121.76 125.51 2e5h s ALA 83 Ca 0.07 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 2e5h s ALA 83 Cb -0.12 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.29 2e5h s ALA 83 CO 0.01 0.24 0.44 -1.54 0.00 0.00 0.00 175.76 174.90 2e5h s SER 84 N 0.43 -0.48 -0.41 0.00 1.04 -0.30 -4.83 113.70 109.15 2e5h s SER 84 Ca -0.18 0.90 -0.28 0.00 0.48 0.00 0.00 55.95 56.88 2e5h s SER 84 Cb -0.17 0.88 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2e5h s SER 84 CO 0.07 -0.16 1.92 -0.63 0.98 0.00 0.00 173.24 175.42 2e5h s ILE 85 N 0.55 3.35 -0.42 -1.02 -1.09 -1.26 0.28 121.20 121.59 2e5h s ILE 85 Ca -0.03 0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.43 2e5h s ILE 85 Cb -0.04 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2e5h s ILE 85 CO -0.03 -0.47 1.63 0.00 -1.23 0.00 0.00 174.94 174.84 2e5h s ALA 86 N 8.16 2.84 0.00 9.38 0.00 -1.25 -4.90 121.76 135.99 2e5h s ALA 86 Ca 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2e5h s ALA 86 Cb -0.20 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.89 2e5h s ALA 86 CO 0.29 -2.73 0.43 0.44 0.00 0.00 0.00 175.76 174.20