#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 0.82 -0.46 1.61 1.04 -1.26 -5.10 113.70 110.34 2e5h s SER -5 Ca 0.00 -0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.34 2e5h s SER -5 Cb 0.00 -0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.01 2e5h s SER -5 CO 0.00 0.02 0.27 -0.44 0.98 0.00 0.00 173.24 174.06 2e5h s SER -4 N 0.35 3.64 -0.94 7.02 0.01 -1.26 -5.00 113.70 117.52 2e5h s SER -4 Ca -0.04 -2.78 -0.01 0.00 1.31 0.00 0.00 55.95 54.42 2e5h s SER -4 Cb -0.08 -1.08 0.33 0.00 0.21 0.00 0.00 66.02 65.40 2e5h s SER -4 CO -0.00 -0.24 1.90 0.61 0.41 0.00 0.00 173.24 175.92 2e5h n GLY -3 N 3.34 5.86 2.28 3.44 0.00 -1.26 -4.68 105.19 114.16 2e5h n GLY -3 Ca 0.11 -2.54 -0.30 0.00 0.00 0.00 0.00 46.02 43.29 2e5h n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e5h n SER -2 N -0.28 6.18 -4.51 1.61 7.64 -1.26 -5.05 113.62 117.94 2e5h n SER -2 Ca 0.50 -3.77 -0.57 0.00 1.01 0.00 0.00 58.87 56.04 2e5h n SER -2 Cb 0.25 -0.66 -0.07 0.00 -1.01 0.00 0.00 64.21 62.72 2e5h n SER -2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e5h n SER -1 N -0.74 0.28 0.00 6.43 2.88 -1.26 -4.91 113.62 116.29 2e5h n SER -1 Ca 0.51 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 59.20 2e5h n SER -1 Cb 0.75 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2e5h n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5h n GLY 0 N 1.75 0.12 3.70 0.46 0.00 -1.26 -5.03 105.19 104.93 2e5h n GLY 0 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 4.47 -0.16 1.61 -2.45 -1.26 -5.03 119.30 116.48 2e5h s MET 1 Ca 0.00 1.56 -0.14 0.00 -1.25 0.00 0.00 55.69 55.86 2e5h s MET 1 Cb 0.00 -3.45 0.04 0.00 1.25 0.00 0.00 34.83 32.67 2e5h s MET 1 CO 0.00 -0.21 0.41 -1.12 1.05 0.00 0.00 175.02 175.15 2e5h s SER 2 N 1.11 -0.44 -0.30 1.11 0.01 -1.26 -5.08 113.70 108.85 2e5h s SER 2 Ca 0.54 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.66 2e5h s SER 2 Cb -0.24 0.84 0.32 0.00 0.21 0.00 0.00 66.02 67.15 2e5h s SER 2 CO 0.26 -0.15 1.42 0.61 0.41 0.00 0.00 173.24 175.79 2e5h n GLY 3 N 2.95 -1.86 0.00 3.44 0.00 -1.26 -5.17 105.19 103.30 2e5h n GLY 3 Ca -0.14 1.02 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 0.72 0.21 3.42 -0.02 0.00 -1.26 -5.12 105.19 103.14 2e5h n GLY 4 Ca -0.06 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 2e5h n GLY 4 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e5h s LEU 5 N 0.00 -0.28 -1.26 0.99 2.96 -1.26 -4.97 118.68 114.86 2e5h s LEU 5 Ca 0.00 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 2e5h s LEU 5 Cb 0.00 2.39 -0.01 0.00 0.50 0.00 0.00 46.19 49.07 2e5h s LEU 5 CO 0.00 -0.97 0.73 0.00 -1.32 0.00 0.00 176.35 174.79 2e5h n ALA 6 N -0.34 -2.14 -2.08 5.97 0.00 -1.26 -4.86 120.51 115.79 2e5h n ALA 6 Ca -0.16 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2e5h n ALA 6 Cb 0.64 -2.61 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2e5h n ALA 6 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e5h s PRO 7 N -5.84 3.31 0.10 0.00 0.04 -1.26 -4.99 135.00 126.36 2e5h s PRO 7 Ca 0.11 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.44 2e5h s PRO 7 Cb -0.03 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 2e5h s PRO 7 CO 0.81 -1.90 -0.17 -1.12 0.04 0.00 0.00 177.00 174.66 2e5h s SER 8 N 5.84 2.19 0.11 6.66 0.01 -1.17 -4.86 113.70 122.48 2e5h s SER 8 Ca 0.74 -0.70 -0.23 0.00 1.31 0.00 0.00 55.95 57.06 2e5h s SER 8 Cb -0.19 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 65.86 2e5h s SER 8 CO 0.32 -0.03 1.69 0.50 0.41 0.00 0.00 173.24 176.13 2e5h h LYS 9 N 3.97 -0.19 -0.63 12.44 3.64 -1.91 -2.55 116.57 131.34 2e5h h LYS 9 Ca -0.43 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.08 2e5h h LYS 9 Cb 1.19 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.96 2e5h h LYS 9 CO 0.43 -0.12 0.15 0.66 -2.27 0.00 0.00 179.45 178.30 2e5h h SER 10 N -0.19 0.04 -2.25 4.20 4.64 -1.88 -3.41 113.55 114.70 2e5h h SER 10 Ca 0.05 0.11 -0.62 0.00 -0.47 0.00 0.00 61.79 60.86 2e5h h SER 10 Cb 0.26 0.15 0.08 0.00 -0.31 0.00 0.00 62.40 62.57 2e5h h SER 10 CO -0.13 0.02 0.44 0.41 -0.87 0.00 0.00 176.83 176.70 2e5h n THR 11 N -5.11 0.84 -3.97 2.95 -1.04 -0.96 -3.94 114.28 103.05 2e5h n THR 11 Ca 0.10 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.05 61.56 2e5h n THR 11 Cb 0.34 -1.13 -0.15 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.06 2.95 -0.62 12.58 1.01 0.10 -3.19 120.40 133.18 2e5h s VAL 12 Ca 0.72 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 2e5h s VAL 12 Cb -0.76 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2e5h s VAL 12 CO 0.50 0.42 1.61 -0.47 0.00 0.00 0.00 175.10 177.16 2e5h s TYR 13 N 1.41 1.96 -0.17 5.22 6.14 -0.44 -1.79 117.35 129.68 2e5h s TYR 13 Ca 0.05 0.49 -0.04 0.00 0.64 0.00 0.00 57.07 58.21 2e5h s TYR 13 Cb -0.14 -4.30 -0.02 0.00 0.42 0.00 0.00 41.96 37.91 2e5h s TYR 13 CO -0.06 -2.21 -0.03 0.08 0.64 0.00 0.00 175.55 173.97 2e5h s VAL 14 N 7.45 3.79 0.40 3.14 1.01 -0.27 -1.78 120.40 134.14 2e5h s VAL 14 Ca 0.56 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.23 2e5h s VAL 14 Cb -0.11 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 2e5h s VAL 14 CO 0.21 0.47 0.01 -0.94 0.00 0.00 0.00 175.10 174.85 2e5h s SER 15 N 0.66 3.93 -1.18 3.32 1.04 -0.73 -0.17 113.70 120.57 2e5h s SER 15 Ca -0.02 -1.30 -0.05 0.00 0.48 0.00 0.00 55.95 55.05 2e5h s SER 15 Cb -0.14 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.58 2e5h s SER 15 CO 0.02 -0.42 0.72 0.59 0.98 0.00 0.00 173.24 175.13 2e5h n ASN 16 N -0.97 -5.40 -4.84 7.02 4.13 -1.25 -2.97 115.26 110.98 2e5h n ASN 16 Ca -0.05 -0.33 -0.37 0.00 1.68 0.00 0.00 54.58 55.52 2e5h n ASN 16 Cb 0.66 -4.12 -0.06 0.00 -1.54 0.00 0.00 39.78 34.72 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 -5.76 4.42 -1.19 3.41 1.43 -1.17 -4.51 118.68 115.31 2e5h s LEU 17 Ca 0.36 1.00 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 2e5h s LEU 17 Cb -0.16 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.06 2e5h s LEU 17 CO 0.44 0.22 1.93 -2.16 0.23 0.00 0.00 176.35 177.02 2e5h s PRO 18 N -1.51 2.49 0.53 1.29 0.04 -1.26 -3.87 135.00 132.72 2e5h s PRO 18 Ca 0.30 -1.18 0.47 0.00 0.04 0.00 0.00 61.00 60.64 2e5h s PRO 18 Cb -0.16 -5.25 1.69 0.00 0.04 0.00 0.00 34.50 30.82 2e5h s PRO 18 CO 0.17 -4.00 1.55 1.97 0.04 0.00 0.00 177.00 176.74 2e5h n PHE 19 N 14.40 0.12 -0.32 0.56 -1.74 -1.26 -0.28 117.46 128.93 2e5h n PHE 19 Ca 0.45 0.12 0.30 0.00 -0.56 0.00 0.00 57.45 57.76 2e5h n PHE 19 Cb 0.47 -0.61 0.56 0.00 1.52 0.00 0.00 39.48 41.42 2e5h n PHE 19 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2e5h n SER 20 N -4.05 0.31 -3.24 5.98 7.64 -1.26 -4.41 113.62 114.59 2e5h n SER 20 Ca 0.44 1.65 -0.21 0.00 1.01 0.00 0.00 58.87 61.76 2e5h n SER 20 Cb 1.94 -0.79 0.18 0.00 -1.01 0.00 0.00 64.21 64.53 2e5h n SER 20 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2e5h n LEU 21 N -5.26 0.00 -4.27 -3.43 4.77 0.61 -5.09 117.00 104.34 2e5h n LEU 21 Ca 0.37 -0.81 -0.16 0.00 -0.03 0.00 0.00 56.01 55.38 2e5h n LEU 21 Cb 1.24 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2e5h n LEU 21 CO 0.00 -1.84 -0.42 0.28 -1.33 0.00 0.00 177.39 174.08 2e5h s THR 22 N -2.38 1.32 0.19 -5.08 -1.32 -1.26 -4.99 115.64 102.12 2e5h s THR 22 Ca 0.50 -2.05 -0.06 0.00 -1.21 0.00 0.00 61.69 58.87 2e5h s THR 22 Cb -0.05 -1.85 0.31 0.00 -1.51 0.00 0.00 72.50 69.40 2e5h s THR 22 CO 0.38 -0.67 1.08 -0.46 -2.21 0.00 0.00 174.62 172.74 2e5h n ASN 23 N -0.15 -0.26 -0.20 8.08 6.94 -1.26 0.21 115.26 128.62 2e5h n ASN 23 Ca -0.10 1.19 0.01 0.00 -0.02 0.00 0.00 54.58 55.65 2e5h n ASN 23 Cb 0.60 -0.35 0.11 0.00 -2.36 0.00 0.00 39.78 37.77 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 -1.03 0.00 0.00 177.26 175.10 2e5h h ASN 24 N 0.00 -0.03 0.00 0.53 -0.73 -1.99 -0.74 115.58 112.63 2e5h h ASN 24 Ca 0.32 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.61 2e5h h ASN 24 Cb 0.50 0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2e5h h ASN 24 CO -0.71 -0.01 0.00 0.47 -0.37 0.00 0.00 177.43 176.82 2e5h n ASP 25 N -5.15 0.00 -0.32 1.15 8.00 0.56 -2.91 116.55 117.89 2e5h n ASP 25 Ca 0.09 0.99 0.04 0.00 0.71 0.00 0.00 54.79 56.62 2e5h n ASP 25 Cb 0.32 -0.49 0.12 0.00 -0.02 0.00 0.00 41.12 41.05 2e5h n ASP 25 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2e5h h LEU 26 N 0.00 -0.84 -0.96 0.64 3.38 -1.35 0.14 115.31 116.32 2e5h h LEU 26 Ca 0.00 0.27 0.16 0.00 0.09 0.00 0.00 57.88 58.40 2e5h h LEU 26 Cb 0.00 0.55 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 2e5h h LEU 26 CO 0.00 -0.29 -0.34 0.00 0.09 0.00 0.00 178.44 177.89 2e5h n TYR 27 N -5.57 0.10 -0.00 1.13 9.36 -0.29 -0.60 117.16 121.28 2e5h n TYR 27 Ca 0.13 1.18 -0.12 0.00 3.32 0.00 0.00 57.90 62.41 2e5h n TYR 27 Cb 0.45 -0.90 -0.10 0.00 -0.63 0.00 0.00 39.34 38.16 2e5h n TYR 27 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2e5h h ARG 28 N 0.00 -0.08 -1.24 2.98 3.08 -0.68 -1.10 114.38 117.35 2e5h h ARG 28 Ca 0.36 0.01 0.44 0.00 0.07 0.00 0.00 59.98 60.86 2e5h h ARG 28 Cb 0.60 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.52 2e5h h ARG 28 CO -0.96 0.50 0.76 0.82 -1.07 0.00 0.00 179.97 180.02 2e5h h ILE 29 N -0.78 0.05 0.00 2.04 2.04 0.29 1.47 117.51 122.63 2e5h h ILE 29 Ca -0.01 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 2e5h h ILE 29 Cb 0.62 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2e5h h ILE 29 CO 0.01 0.01 -1.49 0.49 0.00 0.00 0.00 178.15 177.17 2e5h n PHE 30 N -4.90 0.73 -0.12 1.37 3.72 0.23 -4.12 117.46 114.37 2e5h n PHE 30 Ca 0.39 0.23 0.03 0.00 -0.05 0.00 0.00 57.45 58.05 2e5h n PHE 30 Cb 1.42 -0.95 0.34 0.00 -0.94 0.00 0.00 39.48 39.35 2e5h n PHE 30 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2e5h h SER 31 N 0.00 0.67 -0.50 4.37 0.87 0.34 -1.62 113.55 117.68 2e5h h SER 31 Ca -0.13 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.56 2e5h h SER 31 Cb 1.40 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2e5h h SER 31 CO 0.02 0.48 0.77 0.07 -0.53 0.00 0.00 176.83 177.64 2e5h h LYS 32 N 0.79 0.00 0.00 2.24 2.10 -1.50 -2.56 116.57 117.64 2e5h h LYS 32 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2e5h h LYS 32 Cb -0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 2e5h h LYS 32 CO -0.06 0.00 -0.90 0.66 -2.00 0.00 0.00 179.45 177.15 2e5h n TYR 33 N -3.25 0.00 -3.95 0.07 4.01 -0.63 -5.05 117.16 108.37 2e5h n TYR 33 Ca 0.10 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 2e5h n TYR 33 Cb 0.95 -0.45 -0.12 0.00 -0.31 0.00 0.00 39.34 39.41 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 -4.72 0.16 0.05 2.72 0.00 -0.96 -4.99 107.32 99.57 2e5h s GLY 34 Ca -0.26 -0.38 -0.36 0.00 0.00 0.00 0.00 44.72 43.72 2e5h s GLY 34 CO 0.39 -0.43 1.54 1.17 0.00 0.00 0.00 173.10 175.77 2e5h n LYS 35 N 2.13 1.64 -3.87 2.90 0.00 -1.26 -4.00 118.16 115.70 2e5h n LYS 35 Ca -0.20 0.59 -0.37 0.00 0.00 0.00 0.00 58.31 58.34 2e5h n LYS 35 Cb 0.57 -2.31 -0.06 0.00 0.00 0.00 0.00 35.03 33.22 2e5h n LYS 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2e5h s VAL 36 N 1.43 5.49 -0.17 3.15 1.01 -1.26 -2.62 120.40 127.43 2e5h s VAL 36 Ca 0.85 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2e5h s VAL 36 Cb -0.83 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 2e5h s VAL 36 CO 0.46 0.60 -0.17 0.52 0.00 0.00 0.00 175.10 176.52 2e5h n VAL 37 N 2.12 0.96 -3.89 2.92 0.31 -1.05 -4.95 118.33 114.75 2e5h n VAL 37 Ca -0.20 -0.33 -0.11 0.00 -0.01 0.00 0.00 64.34 63.69 2e5h n VAL 37 Cb 0.55 -1.26 -0.13 0.00 -0.91 0.00 0.00 33.84 32.09 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 -2.33 0.15 -0.35 5.55 -0.14 -1.22 -5.07 119.74 116.33 2e5h s LYS 38 Ca -0.23 -0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 54.21 2e5h s LYS 38 Cb 0.07 0.06 0.08 0.00 -1.68 0.00 0.00 37.83 36.36 2e5h s LYS 38 CO 0.36 -0.03 0.08 0.08 -0.76 0.00 0.00 175.35 175.09 2e5h s VAL 39 N -0.50 2.86 0.02 3.17 1.01 -1.26 -1.10 120.40 124.60 2e5h s VAL 39 Ca -0.06 -1.89 -0.08 0.00 0.00 0.00 0.00 61.98 59.96 2e5h s VAL 39 Cb -0.04 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2e5h s VAL 39 CO -0.00 -0.44 0.30 -0.89 0.00 0.00 0.00 175.10 174.07 2e5h s THR 40 N 1.11 5.25 -0.01 3.92 2.01 0.11 -5.00 115.64 123.03 2e5h s THR 40 Ca 0.03 0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.35 2e5h s THR 40 Cb -0.21 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 2e5h s THR 40 CO -0.04 0.38 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.54 2e5h s ILE 41 N -1.29 0.80 0.12 1.82 1.01 -1.26 0.92 121.20 123.32 2e5h s ILE 41 Ca 0.28 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 2e5h s ILE 41 Cb -0.14 -0.68 -0.07 0.00 0.01 0.00 0.00 42.46 41.58 2e5h s ILE 41 CO 0.16 0.23 0.61 -0.04 0.00 0.00 0.00 174.94 175.90 2e5h s MET 42 N -0.11 4.22 0.03 2.79 -1.94 -0.25 -4.87 119.30 119.17 2e5h s MET 42 Ca 0.02 0.77 0.03 0.00 -1.71 0.00 0.00 55.69 54.79 2e5h s MET 42 Cb -0.05 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.62 2e5h s MET 42 CO -0.00 0.57 -0.08 0.15 -0.01 0.00 0.00 175.02 175.65 2e5h s LYS 43 N -1.36 0.58 0.76 2.03 3.01 -1.26 -4.12 119.74 119.37 2e5h s LYS 43 Ca 0.33 -0.58 -0.08 0.00 -1.01 0.00 0.00 55.97 54.62 2e5h s LYS 43 Cb -0.19 -0.46 0.09 0.00 -1.01 0.00 0.00 37.83 36.26 2e5h s LYS 43 CO 0.20 0.11 1.09 0.34 0.51 0.00 0.00 175.35 177.60 2e5h s ASP 44 N -1.05 4.49 -0.26 2.83 2.15 -0.46 -4.90 116.67 119.47 2e5h s ASP 44 Ca -0.04 0.44 -0.02 0.00 0.43 0.00 0.00 52.55 53.35 2e5h s ASP 44 Cb -0.07 -0.95 -0.16 0.00 -0.30 0.00 0.00 42.92 41.44 2e5h s ASP 44 CO 0.00 -1.83 -0.24 1.17 -0.17 0.00 0.00 175.17 174.10 2e5h n LYS 45 N -3.11 0.64 0.03 4.34 3.00 -1.26 -3.29 118.16 118.51 2e5h n LYS 45 Ca 0.09 0.18 -0.05 0.00 -0.00 0.00 0.00 58.31 58.54 2e5h n LYS 45 Cb 0.60 -1.52 -0.03 0.00 0.00 0.00 0.00 35.03 34.08 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2e5h h ASP 46 N -0.24 -0.16 0.90 3.14 3.32 -2.00 -3.35 116.42 118.03 2e5h h ASP 46 Ca -0.60 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 56.20 2e5h h ASP 46 Cb 1.83 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.41 2e5h h ASP 46 CO -0.17 0.36 -0.60 0.71 -1.72 0.00 0.00 179.24 177.83 2e5h h THR 47 N -1.03 1.23 -5.91 0.35 1.35 -2.01 -3.47 112.91 103.42 2e5h h THR 47 Ca -0.02 -2.21 -0.39 0.00 -0.55 0.00 0.00 66.41 63.24 2e5h h THR 47 Cb 0.28 2.26 0.10 0.00 -1.73 0.00 0.00 68.15 69.06 2e5h h THR 47 CO 0.03 0.59 -0.76 0.54 -0.25 0.00 0.00 175.52 175.67 2e5h n ARG 48 N -3.53 -6.36 -4.36 4.72 5.12 -1.21 -4.97 116.66 106.07 2e5h n ARG 48 Ca -0.00 0.75 -0.18 0.00 -1.93 0.00 0.00 57.85 56.48 2e5h n ARG 48 Cb 0.66 -5.64 -0.10 0.00 -1.16 0.00 0.00 32.46 26.22 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2e5h s LYS 49 N -5.95 1.41 0.12 5.56 -0.14 -1.26 -4.80 119.74 114.67 2e5h s LYS 49 Ca 0.25 -1.72 -0.13 0.00 -1.36 0.00 0.00 55.97 53.02 2e5h s LYS 49 Cb -0.12 -0.75 -0.07 0.00 -1.68 0.00 0.00 37.83 35.21 2e5h s LYS 49 CO 0.77 -0.07 1.44 1.03 -0.76 0.00 0.00 175.35 177.75 2e5h h SER 50 N 2.40 0.90 -1.68 2.83 0.87 -1.93 -1.23 113.55 115.71 2e5h h SER 50 Ca -0.39 -0.48 -0.36 0.00 -1.23 0.00 0.00 61.79 59.33 2e5h h SER 50 Cb 1.23 -0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 2e5h h SER 50 CO 0.65 1.20 -0.39 0.29 -0.53 0.00 0.00 176.83 178.05 2e5h n LYS 51 N -4.13 -1.32 0.00 2.24 5.02 -1.26 -2.78 118.16 115.92 2e5h n LYS 51 Ca -0.03 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2e5h n LYS 51 Cb 0.53 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.19 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 -0.91 1.08 3.53 0.72 0.00 -1.25 -4.46 105.19 103.89 2e5h n GLY 52 Ca -0.19 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.34 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 0.29 -3.89 1.61 0.31 -1.12 -3.04 118.33 112.50 2e5h n VAL 53 Ca 0.00 -0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 63.95 2e5h n VAL 53 Cb 0.00 -1.86 -0.11 0.00 -0.91 0.00 0.00 33.84 30.96 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 6.85 -0.23 -0.21 3.52 0.00 0.76 -1.10 121.76 131.35 2e5h s ALA 54 Ca 1.05 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 2e5h s ALA 54 Cb -0.73 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2e5h s ALA 54 CO 0.47 -0.18 -0.03 -0.06 0.00 0.00 0.00 175.76 175.97 2e5h s PHE 55 N -1.18 2.98 -0.31 0.00 0.40 0.26 -1.11 117.98 119.02 2e5h s PHE 55 Ca -0.13 -0.71 -0.12 0.00 -0.60 0.00 0.00 56.93 55.38 2e5h s PHE 55 Cb -0.07 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 2e5h s PHE 55 CO 0.01 -0.40 0.22 0.42 0.70 0.00 0.00 175.22 176.18 2e5h s ILE 56 N 1.22 5.29 -0.30 0.64 -1.09 -0.74 0.06 121.20 126.29 2e5h s ILE 56 Ca 0.03 -0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.21 2e5h s ILE 56 Cb -0.14 -3.63 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2e5h s ILE 56 CO -0.00 0.11 0.72 -0.22 -1.23 0.00 0.00 174.94 174.33 2e5h s LEU 57 N 1.75 4.11 0.32 2.97 0.20 -0.25 0.02 118.68 127.80 2e5h s LEU 57 Ca 0.07 0.60 0.07 0.00 0.69 0.00 0.00 54.13 55.56 2e5h s LEU 57 Cb -0.17 -2.98 -0.02 0.00 -0.43 0.00 0.00 46.19 42.60 2e5h s LEU 57 CO 0.11 -0.55 0.40 -0.36 -0.29 0.00 0.00 176.35 175.66 2e5h s PHE 58 N 2.80 3.08 -0.06 5.38 0.40 -1.25 -2.53 117.98 125.80 2e5h s PHE 58 Ca 0.30 -0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.27 2e5h s PHE 58 Cb -0.15 -1.87 -0.30 0.00 0.51 0.00 0.00 43.02 41.21 2e5h s PHE 58 CO 0.12 0.11 0.67 1.25 0.70 0.00 0.00 175.22 178.07 2e5h h LEU 59 N 1.05 0.56 -8.19 -0.37 5.85 -1.85 -3.44 115.31 108.92 2e5h h LEU 59 Ca -0.46 -0.91 -0.63 0.00 0.84 0.00 0.00 57.88 56.72 2e5h h LEU 59 Cb 1.25 -0.18 -0.33 0.00 0.37 0.00 0.00 40.66 41.77 2e5h h LEU 59 CO 0.55 1.71 -0.86 -0.62 -0.34 0.00 0.00 178.44 178.88 2e5h s ASP 60 N -7.22 2.68 0.18 1.25 2.15 -1.26 -5.03 116.67 109.41 2e5h s ASP 60 Ca -0.16 -0.48 -0.14 0.00 0.43 0.00 0.00 52.55 52.19 2e5h s ASP 60 Cb 0.05 -1.23 0.15 0.00 -0.30 0.00 0.00 42.92 41.59 2e5h s ASP 60 CO 0.83 0.10 1.71 0.50 -0.17 0.00 0.00 175.17 178.14 2e5h h LYS 61 N 6.96 0.17 -1.08 4.34 3.11 -1.89 -0.51 116.57 127.67 2e5h h LYS 61 Ca -0.25 -0.01 0.29 0.00 -2.81 0.00 0.00 60.65 57.87 2e5h h LYS 61 Cb 1.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 32.30 2e5h h LYS 61 CO 0.48 0.11 0.69 -0.44 -2.81 0.00 0.00 179.45 177.49 2e5h h ASP 62 N 0.18 0.43 -0.05 4.20 3.32 -1.98 0.44 116.42 122.96 2e5h h ASP 62 Ca 0.22 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 2e5h h ASP 62 Cb 0.30 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2e5h h ASP 62 CO -0.32 0.04 -0.09 0.28 -1.72 0.00 0.00 179.24 177.43 2e5h h SER 63 N 0.35 0.16 -0.44 6.45 0.02 -1.50 -3.21 113.55 115.39 2e5h h SER 63 Ca 0.64 -0.57 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 2e5h h SER 63 Cb 1.66 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 64.07 2e5h h SER 63 CO -0.34 0.70 -0.08 0.00 -1.14 0.00 0.00 176.83 175.98 2e5h h ALA 64 N 0.47 0.33 -0.59 3.77 0.00 -0.49 -1.65 119.26 121.09 2e5h h ALA 64 Ca 0.00 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2e5h h ALA 64 Cb 0.67 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 2e5h h ALA 64 CO 0.02 -0.43 -0.06 1.96 0.00 0.00 0.00 179.25 180.74 2e5h h GLN 65 N 0.03 0.06 -0.55 0.00 1.08 -1.36 0.21 115.11 114.58 2e5h h GLN 65 Ca 0.21 -0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.51 2e5h h GLN 65 Cb 0.32 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.65 2e5h h GLN 65 CO -0.42 0.04 0.07 -0.97 -0.95 0.00 0.00 178.83 176.60 2e5h h ASN 66 N 0.07 -0.10 -0.45 1.46 -0.73 -1.30 -1.42 115.58 113.11 2e5h h ASN 66 Ca 0.30 0.12 -0.11 0.00 1.87 0.00 0.00 56.30 58.48 2e5h h ASN 66 Cb 0.47 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.23 2e5h h ASN 66 CO -0.55 -0.03 -0.13 0.00 -0.37 0.00 0.00 177.43 176.35 2e5h n THR 68 N -4.23 1.21 -0.02 0.00 -1.04 0.56 -1.00 114.28 109.76 2e5h n THR 68 Ca -0.00 0.63 -0.01 0.00 -2.04 0.00 0.00 64.05 62.63 2e5h n THR 68 Cb 0.40 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 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 -1.82 1.99 -0.05 -2.82 0.00 -0.97 -3.82 116.66 109.17 2e5h n ARG 69 Ca -0.01 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.85 57.68 2e5h n ARG 69 Cb 0.13 -1.17 -0.08 0.00 0.00 0.00 0.00 32.46 31.34 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 0.44 0.19 0.00 5.13 0.00 0.60 -3.29 119.26 122.34 2e5h h ALA 70 Ca -0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 2e5h h ALA 70 Cb 1.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2e5h h ALA 70 CO 0.01 0.12 -1.29 -0.84 0.00 0.00 0.00 179.25 177.25 2e5h h ILE 71 N -0.06 0.67 -3.38 0.00 3.07 -1.50 -3.46 117.51 112.86 2e5h h ILE 71 Ca 0.01 -2.21 -0.57 0.00 1.55 0.00 0.00 64.86 63.64 2e5h h ILE 71 Cb 0.76 2.19 0.13 0.00 -0.27 0.00 0.00 36.82 39.64 2e5h h ILE 71 CO 0.04 0.38 0.32 -3.20 -1.05 0.00 0.00 178.15 174.65 2e5h n ASN 72 N -2.99 1.81 -3.57 2.16 5.15 -1.24 -1.90 115.26 114.68 2e5h n ASN 72 Ca -0.08 1.03 -0.27 0.00 -0.60 0.00 0.00 54.58 54.66 2e5h n ASN 72 Cb 0.86 -1.43 0.02 0.00 -0.53 0.00 0.00 39.78 38.70 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 0.13 -4.75 -3.66 1.20 4.13 -1.24 -4.91 115.26 106.15 2e5h n ASN 73 Ca 0.09 -0.56 -0.13 0.00 1.68 0.00 0.00 54.58 55.66 2e5h n ASN 73 Cb 0.41 -3.84 -0.13 0.00 -1.54 0.00 0.00 39.78 34.68 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 -6.26 0.16 0.30 3.52 -0.14 -0.80 -5.05 119.74 111.48 2e5h s LYS 74 Ca 0.52 0.78 -0.28 0.00 -1.36 0.00 0.00 55.97 55.62 2e5h s LYS 74 Cb -0.26 0.00 -0.09 0.00 -1.68 0.00 0.00 37.83 35.80 2e5h s LYS 74 CO 0.64 -0.28 1.04 1.14 -0.76 0.00 0.00 175.35 177.12 2e5h s GLN 75 N 2.44 4.60 -0.04 1.68 -2.07 -1.26 -2.83 119.66 122.18 2e5h s GLN 75 Ca 0.01 1.63 0.01 0.00 -1.82 0.00 0.00 55.36 55.19 2e5h s GLN 75 Cb -0.12 -3.06 0.02 0.00 -1.09 0.00 0.00 33.01 28.77 2e5h s GLN 75 CO -0.09 0.23 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.58 2e5h s LEU 76 N -1.66 1.21 -1.55 2.60 1.02 -0.36 -4.80 118.68 115.15 2e5h s LEU 76 Ca 0.47 -0.07 -0.00 0.00 0.02 0.00 0.00 54.13 54.54 2e5h s LEU 76 Cb -0.28 -0.32 0.00 0.00 0.02 0.00 0.00 46.19 45.61 2e5h s LEU 76 CO 0.35 -0.09 0.06 0.49 0.02 0.00 0.00 176.35 177.18 2e5h n PHE 77 N 4.14 -0.97 -2.23 0.29 3.01 -1.26 -3.07 117.46 117.36 2e5h n PHE 77 Ca -0.25 0.05 -0.05 0.00 1.01 0.00 0.00 57.45 58.21 2e5h n PHE 77 Cb 0.51 -3.67 0.02 0.00 -0.01 0.00 0.00 39.48 36.33 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 -1.06 0.25 3.25 1.37 0.00 -1.26 -5.01 105.19 102.72 2e5h n GLY 78 Ca -0.20 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.93 0.14 -0.47 1.61 1.70 -1.18 -5.10 118.95 111.72 2e5h s ARG 79 Ca 0.06 0.34 -0.27 0.00 -0.47 0.00 0.00 55.73 55.39 2e5h s ARG 79 Cb -0.01 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.50 2e5h s ARG 79 CO 0.22 -0.07 2.40 0.28 -1.08 0.00 0.00 175.30 177.05 2e5h n VAL 80 N 4.90 -0.02 -2.79 4.99 0.31 -1.26 -1.22 118.33 123.24 2e5h n VAL 80 Ca -0.08 -0.72 -0.42 0.00 -0.01 0.00 0.00 64.34 63.12 2e5h n VAL 80 Cb 0.54 -2.67 -0.03 0.00 -0.91 0.00 0.00 33.84 30.77 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 11.52 4.87 -0.11 2.52 1.01 -1.13 -4.66 121.20 135.23 2e5h s ILE 81 Ca 1.00 1.88 -0.02 0.00 0.00 0.00 0.00 60.65 63.51 2e5h s ILE 81 Cb -0.25 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 2e5h s ILE 81 CO 0.29 0.11 -0.02 -0.54 0.00 0.00 0.00 174.94 174.77 2e5h s LYS 82 N 1.47 3.25 -0.07 2.79 3.01 -1.16 -3.67 119.74 125.36 2e5h s LYS 82 Ca 0.46 -0.46 0.06 0.00 -1.01 0.00 0.00 55.97 55.02 2e5h s LYS 82 Cb -0.19 -2.83 -0.01 0.00 -1.01 0.00 0.00 37.83 33.79 2e5h s LYS 82 CO 0.21 0.51 -0.25 0.00 0.51 0.00 0.00 175.35 176.33 2e5h s ALA 83 N -0.37 2.16 -0.21 5.17 0.00 -1.26 -1.78 121.76 125.47 2e5h s ALA 83 Ca 0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 2e5h s ALA 83 Cb -0.12 -0.70 0.07 0.00 0.00 0.00 0.00 23.12 22.36 2e5h s ALA 83 CO 0.02 0.39 0.52 -1.12 0.00 0.00 0.00 175.76 175.57 2e5h s SER 84 N -0.05 -0.67 0.39 0.00 0.01 -0.73 -4.90 113.70 107.75 2e5h s SER 84 Ca -0.07 1.13 -0.26 0.00 1.31 0.00 0.00 55.95 58.06 2e5h s SER 84 Cb -0.15 1.02 -0.11 0.00 0.21 0.00 0.00 66.02 66.99 2e5h s SER 84 CO 0.05 -0.21 1.13 -0.38 0.41 0.00 0.00 173.24 174.24 2e5h n ILE 85 N 4.15 2.35 -3.83 1.44 2.08 -1.26 -1.32 119.36 122.97 2e5h n ILE 85 Ca -0.21 -0.50 -0.34 0.00 0.56 0.00 0.00 62.75 62.26 2e5h n ILE 85 Cb 0.57 -1.31 -0.12 0.00 -0.75 0.00 0.00 39.64 38.02 2e5h n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2e5h s ALA 86 N -1.20 3.31 0.00 -1.39 0.00 -1.19 -4.75 121.76 116.55 2e5h s ALA 86 Ca 0.61 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 49.58 2e5h s ALA 86 Cb -0.56 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2e5h s ALA 86 CO 0.58 -1.95 0.46 0.44 0.00 0.00 0.00 175.76 175.29