#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 0.24 0.06 1.61 1.04 -1.26 -5.17 113.70 110.22 2e5h s SER -5 Ca 0.00 -1.15 0.06 0.00 0.48 0.00 0.00 55.95 55.35 2e5h s SER -5 Cb 0.00 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 2e5h s SER -5 CO 0.00 -1.42 -0.13 -0.55 0.98 0.00 0.00 173.24 172.12 2e5h s SER -4 N -3.09 4.21 0.00 7.02 0.15 -1.26 -4.90 113.70 115.83 2e5h s SER -4 Ca 0.21 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2e5h s SER -4 Cb -0.03 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 2e5h s SER -4 CO 0.13 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2e5h n GLY -3 N 1.17 0.44 3.56 9.45 0.00 -1.26 -5.05 105.19 113.50 2e5h n GLY -3 Ca -0.15 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 2e5h n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5h s SER -2 N -0.27 5.39 -0.20 1.61 0.01 -1.26 -4.81 113.70 114.17 2e5h s SER -2 Ca 0.00 0.60 -0.19 0.00 1.31 0.00 0.00 55.95 57.67 2e5h s SER -2 Cb 0.00 -2.53 -0.20 0.00 0.21 0.00 0.00 66.02 63.50 2e5h s SER -2 CO 0.00 -2.23 0.21 -0.24 0.41 0.00 0.00 173.24 171.39 2e5h n SER -1 N 12.27 1.90 -2.27 2.44 2.88 -1.26 -5.09 113.62 124.50 2e5h n SER -1 Ca 0.22 0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 58.12 2e5h n SER -1 Cb 0.51 -0.94 -0.02 0.00 -0.75 0.00 0.00 64.21 63.01 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 1.51 -5.26 3.44 0.46 0.00 -1.26 -4.86 105.19 99.22 2e5h n GLY 0 Ca -0.33 0.63 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 2e5h n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2e5h s MET 1 N -0.78 3.85 -1.04 1.61 0.00 -1.26 -4.46 119.30 117.23 2e5h s MET 1 Ca -0.11 -2.27 -0.01 0.00 0.00 0.00 0.00 55.69 53.31 2e5h s MET 1 Cb 0.01 -4.92 0.01 0.00 0.00 0.00 0.00 34.83 29.93 2e5h s MET 1 CO 0.28 -1.70 0.06 -1.13 0.00 0.00 0.00 175.02 172.54 2e5h n SER 2 N 5.70 -3.79 -3.80 -1.18 3.41 -1.26 -1.33 113.62 111.36 2e5h n SER 2 Ca 0.29 0.15 -0.24 0.00 -0.26 0.00 0.00 58.87 58.80 2e5h n SER 2 Cb 0.46 -3.22 0.02 0.00 -0.26 0.00 0.00 64.21 61.21 2e5h n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5h n GLY 3 N -0.84 -0.30 0.00 5.00 0.00 -1.26 -4.69 105.19 103.11 2e5h n GLY 3 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.69 -0.68 3.63 -0.02 0.00 -0.44 -4.73 105.19 101.25 2e5h n GLY 4 Ca -0.26 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 2e5h n GLY 4 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2e5h s LEU 5 N -2.67 4.08 -0.85 0.99 2.34 -1.26 -4.47 118.68 116.84 2e5h s LEU 5 Ca 0.00 0.51 -0.07 0.00 0.06 0.00 0.00 54.13 54.63 2e5h s LEU 5 Cb 0.00 -2.61 0.01 0.00 -0.56 0.00 0.00 46.19 43.03 2e5h s LEU 5 CO 0.00 -0.22 0.13 0.00 -1.06 0.00 0.00 176.35 175.20 2e5h n ALA 6 N 5.20 -1.71 -1.09 1.48 0.00 -1.26 -4.87 120.51 118.27 2e5h n ALA 6 Ca -0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 2e5h n ALA 6 Cb 0.50 -0.80 0.24 0.00 0.00 0.00 0.00 19.45 19.38 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 -5.89 -1.12 0.10 0.00 0.04 -1.26 -5.10 135.00 121.78 2e5h s PRO 7 Ca 0.10 -0.03 -0.21 0.00 0.04 0.00 0.00 61.00 60.90 2e5h s PRO 7 Cb -0.05 -1.60 0.05 0.00 0.04 0.00 0.00 34.50 32.93 2e5h s PRO 7 CO 0.59 -3.65 0.51 -1.12 0.04 0.00 0.00 177.00 173.37 2e5h s SER 8 N -3.86 -0.42 0.17 6.66 0.01 -0.90 -4.93 113.70 110.43 2e5h s SER 8 Ca 0.70 -0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.79 2e5h s SER 8 Cb -0.10 0.52 0.10 0.00 0.21 0.00 0.00 66.02 66.75 2e5h s SER 8 CO 0.56 -0.83 1.66 0.11 0.41 0.00 0.00 173.24 175.15 2e5h h LYS 9 N 2.44 -0.03 -0.14 12.44 6.56 -1.88 -2.06 116.57 133.89 2e5h h LYS 9 Ca -0.33 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.30 2e5h h LYS 9 Cb 1.25 0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.88 2e5h h LYS 9 CO 0.42 -0.02 -0.07 0.77 -2.06 0.00 0.00 179.45 178.49 2e5h h SER 10 N -0.03 -0.23 -0.88 0.86 0.02 -1.87 -3.42 113.55 108.01 2e5h h SER 10 Ca 0.20 0.06 -0.62 0.00 -0.84 0.00 0.00 61.79 60.59 2e5h h SER 10 Cb 0.33 0.13 0.08 0.00 0.14 0.00 0.00 62.40 63.08 2e5h h SER 10 CO -0.43 -0.09 -0.32 0.41 -1.14 0.00 0.00 176.83 175.26 2e5h n THR 11 N -5.21 1.26 -4.10 -2.27 -1.04 -0.77 -4.39 114.28 97.75 2e5h n THR 11 Ca -0.03 -0.31 -0.33 0.00 -2.04 0.00 0.00 64.05 61.34 2e5h n THR 11 Cb 0.13 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.63 2.02 -0.61 12.58 1.01 0.92 -2.89 120.40 132.80 2e5h s VAL 12 Ca 0.63 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 2e5h s VAL 12 Cb -0.90 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 33.63 2e5h s VAL 12 CO 0.49 0.46 1.36 -0.47 0.00 0.00 0.00 175.10 176.95 2e5h s TYR 13 N 1.29 2.31 -0.15 5.22 6.14 0.11 -1.74 117.35 130.53 2e5h s TYR 13 Ca 0.03 0.36 -0.00 0.00 0.64 0.00 0.00 57.07 58.10 2e5h s TYR 13 Cb -0.14 -4.46 -0.01 0.00 0.42 0.00 0.00 41.96 37.78 2e5h s TYR 13 CO -0.12 -1.94 -0.14 0.08 0.64 0.00 0.00 175.55 174.07 2e5h s VAL 14 N 5.94 2.82 0.47 3.14 1.01 -0.66 -1.45 120.40 131.67 2e5h s VAL 14 Ca 0.47 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2e5h s VAL 14 Cb -0.10 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.09 2e5h s VAL 14 CO 0.22 0.51 0.01 -0.24 0.00 0.00 0.00 175.10 175.61 2e5h n SER 15 N 3.95 3.12 -2.50 3.32 2.88 -0.87 -0.24 113.62 123.28 2e5h n SER 15 Ca -0.19 -3.11 -0.18 0.00 -1.33 0.00 0.00 58.87 54.06 2e5h n SER 15 Cb 0.52 0.40 -0.00 0.00 -0.75 0.00 0.00 64.21 64.38 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 -1.32 -5.25 -4.83 -3.46 4.13 -1.26 -3.42 115.26 99.85 2e5h n ASN 16 Ca -0.19 0.01 -0.36 0.00 1.68 0.00 0.00 54.58 55.73 2e5h n ASN 16 Cb 0.61 -4.38 -0.06 0.00 -1.54 0.00 0.00 39.78 34.41 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 -5.98 4.38 -1.17 3.41 1.43 -1.21 -4.60 118.68 114.93 2e5h s LEU 17 Ca 0.04 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.14 2e5h s LEU 17 Cb -0.02 -3.29 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 2e5h s LEU 17 CO 0.05 0.12 1.94 -2.16 0.23 0.00 0.00 176.35 176.52 2e5h s PRO 18 N -1.77 2.49 0.55 1.29 0.04 -1.26 -3.58 135.00 132.76 2e5h s PRO 18 Ca 0.37 -1.13 0.42 0.00 0.04 0.00 0.00 61.00 60.70 2e5h s PRO 18 Cb -0.17 -5.24 1.43 0.00 0.04 0.00 0.00 34.50 30.56 2e5h s PRO 18 CO 0.20 -3.97 1.42 1.97 0.04 0.00 0.00 177.00 176.66 2e5h n PHE 19 N 14.39 0.00 -0.36 0.56 1.16 -1.26 -0.19 117.46 131.75 2e5h n PHE 19 Ca 0.45 0.00 0.32 0.00 -1.87 0.00 0.00 57.45 56.34 2e5h n PHE 19 Cb 0.47 -0.41 0.58 0.00 -1.61 0.00 0.00 39.48 38.51 2e5h n PHE 19 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2e5h h SER 20 N 0.00 0.35 -2.46 5.98 0.02 -2.04 -3.39 113.55 112.01 2e5h h SER 20 Ca 0.77 0.21 -0.20 0.00 -0.84 0.00 0.00 61.79 61.73 2e5h h SER 20 Cb 3.40 0.19 0.10 0.00 0.14 0.00 0.00 62.40 66.23 2e5h h SER 20 CO -0.01 -0.29 0.07 0.18 -1.14 0.00 0.00 176.83 175.64 2e5h n LEU 21 N -5.04 0.00 -4.25 5.07 4.77 0.73 -5.09 117.00 113.19 2e5h n LEU 21 Ca 0.36 -0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 55.62 2e5h n LEU 21 Cb 1.26 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 41.75 2e5h n LEU 21 CO 0.09 -1.53 -0.39 0.28 -1.33 0.00 0.00 177.39 174.51 2e5h s THR 22 N -2.02 1.05 0.17 -5.08 -1.32 -1.26 -5.00 115.64 102.19 2e5h s THR 22 Ca 0.35 -2.04 -0.10 0.00 -1.21 0.00 0.00 61.69 58.70 2e5h s THR 22 Cb -0.03 -1.90 0.23 0.00 -1.51 0.00 0.00 72.50 69.28 2e5h s THR 22 CO 0.27 -0.69 1.09 -0.46 -2.21 0.00 0.00 174.62 172.61 2e5h n ASN 23 N -0.21 -0.37 -0.06 8.08 0.23 -1.26 0.97 115.26 122.64 2e5h n ASN 23 Ca -0.10 1.21 -0.09 0.00 -0.53 0.00 0.00 54.58 55.08 2e5h n ASN 23 Cb 0.61 -0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 37.97 2e5h n ASN 23 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2e5h h ASN 24 N 0.00 -0.99 -0.20 0.53 -0.73 -1.99 -0.93 115.58 111.26 2e5h h ASN 24 Ca 0.28 0.16 0.03 0.00 1.87 0.00 0.00 56.30 58.64 2e5h h ASN 24 Cb 0.45 0.45 -0.06 0.00 0.27 0.00 0.00 38.32 39.44 2e5h h ASN 24 CO -0.70 -0.33 -0.43 0.44 -0.37 0.00 0.00 177.43 176.03 2e5h h ASP 25 N -0.31 -1.41 -0.22 1.15 3.32 0.22 -2.45 116.42 116.71 2e5h h ASP 25 Ca 0.14 0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.41 2e5h h ASP 25 Cb 0.53 0.56 -0.07 0.00 0.22 0.00 0.00 39.33 40.57 2e5h h ASP 25 CO -0.44 -0.36 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.16 2e5h h LEU 26 N -0.40 -1.59 -0.71 1.55 3.38 -1.09 -0.12 115.31 116.33 2e5h h LEU 26 Ca 0.04 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.30 2e5h h LEU 26 Cb 0.51 0.64 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 2e5h h LEU 26 CO -0.40 -0.44 -0.34 0.00 0.09 0.00 0.00 178.44 177.35 2e5h n TYR 27 N -5.42 -0.13 0.29 1.13 4.19 -0.39 -0.28 117.16 116.55 2e5h n TYR 27 Ca -0.04 0.88 -0.14 0.00 3.31 0.00 0.00 57.90 61.91 2e5h n TYR 27 Cb 0.37 -0.67 -0.07 0.00 0.49 0.00 0.00 39.34 39.45 2e5h n TYR 27 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2e5h h ARG 28 N 0.00 -0.73 -0.98 2.98 3.08 -1.03 0.13 114.38 117.84 2e5h h ARG 28 Ca 0.19 0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.56 2e5h h ARG 28 Cb 0.37 0.17 -0.18 0.00 0.08 0.00 0.00 29.97 30.40 2e5h h ARG 28 CO -0.69 -0.42 0.03 -0.89 -1.07 0.00 0.00 179.97 176.92 2e5h n ILE 29 N -5.32 -0.41 0.11 2.04 5.41 0.14 0.19 119.36 121.52 2e5h n ILE 29 Ca -0.11 2.15 -0.01 0.00 1.00 0.00 0.00 62.75 65.78 2e5h n ILE 29 Cb 0.33 -3.14 -0.03 0.00 -0.71 0.00 0.00 39.64 36.09 2e5h n ILE 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2e5h h PHE 30 N 0.00 0.00 -0.87 1.39 0.04 -0.60 -3.28 116.94 113.62 2e5h h PHE 30 Ca 0.60 0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.52 2e5h h PHE 30 Cb 1.24 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.32 2e5h h PHE 30 CO -0.49 0.68 0.57 1.03 -0.60 0.00 0.00 178.31 179.50 2e5h h SER 31 N 0.00 0.58 -0.89 2.17 0.87 0.49 -0.19 113.55 116.58 2e5h h SER 31 Ca -0.01 0.04 0.26 0.00 -1.23 0.00 0.00 61.79 60.84 2e5h h SER 31 Cb 1.53 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.38 2e5h h SER 31 CO 0.09 0.28 0.95 0.07 -0.53 0.00 0.00 176.83 177.69 2e5h h LYS 32 N 0.61 0.00 0.00 2.24 2.10 -1.49 -2.04 116.57 118.00 2e5h h LYS 32 Ca 0.44 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.91 2e5h h LYS 32 Cb 0.81 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.11 2e5h h LYS 32 CO -0.19 0.00 -1.58 0.66 -2.00 0.00 0.00 179.45 176.33 2e5h n TYR 33 N -3.48 0.00 -3.77 0.07 4.01 -0.11 -5.06 117.16 108.82 2e5h n TYR 33 Ca 0.19 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.81 2e5h n TYR 33 Cb 1.24 -0.68 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 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 -5.13 -0.13 0.28 2.72 0.00 -0.77 -4.98 107.32 99.31 2e5h s GLY 34 Ca -0.32 0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.29 2e5h s GLY 34 CO 0.44 -0.01 1.47 1.17 0.00 0.00 0.00 173.10 176.17 2e5h n LYS 35 N 1.08 2.32 -3.85 2.90 0.00 -1.26 -3.83 118.16 115.53 2e5h n LYS 35 Ca -0.21 0.83 -0.36 0.00 0.00 0.00 0.00 58.31 58.57 2e5h n LYS 35 Cb 0.57 -2.53 -0.07 0.00 0.00 0.00 0.00 35.03 33.00 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 -0.18 5.40 -0.25 3.15 1.01 -1.26 -2.38 120.40 125.88 2e5h s VAL 36 Ca 0.65 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2e5h s VAL 36 Cb -0.58 -3.39 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 2e5h s VAL 36 CO 0.51 0.54 -0.25 0.52 0.00 0.00 0.00 175.10 176.42 2e5h n VAL 37 N 2.65 1.42 -3.76 2.92 0.31 -0.78 -4.89 118.33 116.20 2e5h n VAL 37 Ca -0.18 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 2e5h n VAL 37 Cb 0.54 -1.51 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 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 -2.49 0.15 -0.55 5.55 1.02 -1.22 -5.06 119.74 117.14 2e5h s LYS 38 Ca -0.34 0.39 -0.14 0.00 0.02 0.00 0.00 55.97 55.89 2e5h s LYS 38 Cb 0.10 -0.10 0.14 0.00 -0.52 0.00 0.00 37.83 37.45 2e5h s LYS 38 CO 0.54 -0.13 0.49 0.08 -0.92 0.00 0.00 175.35 175.41 2e5h s VAL 39 N 0.94 5.04 0.02 3.17 1.01 -1.26 -1.32 120.40 128.00 2e5h s VAL 39 Ca -0.07 -1.66 -0.19 0.00 0.00 0.00 0.00 61.98 60.06 2e5h s VAL 39 Cb -0.09 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 2e5h s VAL 39 CO -0.05 -0.87 0.56 -0.89 0.00 0.00 0.00 175.10 173.85 2e5h s THR 40 N 1.41 4.86 0.01 3.92 2.01 0.12 -4.99 115.64 122.98 2e5h s THR 40 Ca 0.05 1.19 0.03 0.00 0.31 0.00 0.00 61.69 63.26 2e5h s THR 40 Cb -0.27 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2e5h s THR 40 CO 0.01 0.48 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 2e5h s ILE 41 N -0.61 0.63 0.70 1.82 1.01 -1.26 0.10 121.20 123.58 2e5h s ILE 41 Ca 0.29 -0.56 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2e5h s ILE 41 Cb -0.18 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.72 2e5h s ILE 41 CO 0.17 0.02 1.09 -0.04 0.00 0.00 0.00 174.94 176.18 2e5h s MET 42 N -0.60 2.94 -0.23 2.79 -1.94 -0.68 -4.91 119.30 116.67 2e5h s MET 42 Ca -0.00 0.52 -0.07 0.00 -1.71 0.00 0.00 55.69 54.42 2e5h s MET 42 Cb -0.05 -2.03 0.10 0.00 2.01 0.00 0.00 34.83 34.87 2e5h s MET 42 CO 0.00 -0.99 0.47 0.15 -0.01 0.00 0.00 175.02 174.64 2e5h s LYS 43 N -5.32 0.39 1.07 2.03 3.01 -1.26 -3.97 119.74 115.70 2e5h s LYS 43 Ca 0.58 1.09 -0.14 0.00 -1.01 0.00 0.00 55.97 56.49 2e5h s LYS 43 Cb -0.11 0.41 0.23 0.00 -1.01 0.00 0.00 37.83 37.34 2e5h s LYS 43 CO 0.52 -0.28 1.09 0.34 0.51 0.00 0.00 175.35 177.54 2e5h s ASP 44 N 2.68 1.98 -0.19 2.83 2.15 -0.84 -4.86 116.67 120.41 2e5h s ASP 44 Ca -0.01 1.02 0.07 0.00 0.43 0.00 0.00 52.55 54.06 2e5h s ASP 44 Cb -0.12 -1.58 -0.16 0.00 -0.30 0.00 0.00 42.92 40.76 2e5h s ASP 44 CO -0.15 -3.51 -0.09 2.29 -0.17 0.00 0.00 175.17 173.55 2e5h n LYS 45 N -4.41 0.87 -0.05 4.34 -0.00 -1.26 -3.14 118.16 114.51 2e5h n LYS 45 Ca 0.07 0.07 -0.15 0.00 -0.00 0.00 0.00 58.31 58.30 2e5h n LYS 45 Cb 0.58 -1.41 -0.13 0.00 -0.00 0.00 0.00 35.03 34.07 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 0.00 0.06 0.23 -5.58 3.32 -2.00 -3.38 116.42 109.07 2e5h h ASP 46 Ca -0.45 -0.93 -0.34 0.00 0.02 0.00 0.00 57.03 55.33 2e5h h ASP 46 Cb 1.82 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 41.32 2e5h h ASP 46 CO -0.03 0.99 -1.93 0.35 -1.72 0.00 0.00 179.24 176.89 2e5h n THR 47 N -4.58 1.72 -2.95 0.35 -2.24 -1.26 -5.01 114.28 100.31 2e5h n THR 47 Ca -0.10 -0.70 -0.11 0.00 -2.27 0.00 0.00 64.05 60.87 2e5h n THR 47 Cb 0.49 -1.50 0.04 0.00 -2.10 0.00 0.00 70.33 67.26 2e5h n THR 47 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2e5h n ARG 48 N -3.34 -3.65 -4.46 -0.78 3.00 -1.19 -4.97 116.66 101.26 2e5h n ARG 48 Ca -0.28 0.39 -0.22 0.00 -0.00 0.00 0.00 57.85 57.74 2e5h n ARG 48 Cb 1.05 -4.10 -0.10 0.00 0.00 0.00 0.00 32.46 29.31 2e5h n ARG 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2e5h s LYS 49 N -5.44 1.63 0.20 -0.14 -0.14 -1.26 -4.74 119.74 109.85 2e5h s LYS 49 Ca 0.23 -1.85 0.00 0.00 -1.36 0.00 0.00 55.97 52.99 2e5h s LYS 49 Cb -0.10 -1.23 0.15 0.00 -1.68 0.00 0.00 37.83 34.97 2e5h s LYS 49 CO 0.34 0.01 1.50 1.03 -0.76 0.00 0.00 175.35 177.48 2e5h h SER 50 N 2.18 0.45 -2.01 2.83 0.87 -1.92 -2.25 113.55 113.70 2e5h h SER 50 Ca -0.41 -0.26 -0.42 0.00 -1.23 0.00 0.00 61.79 59.47 2e5h h SER 50 Cb 1.24 -0.13 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 2e5h h SER 50 CO 0.69 0.96 -0.46 0.29 -0.53 0.00 0.00 176.83 177.78 2e5h n LYS 51 N -3.89 -1.57 0.00 2.24 5.02 -1.26 -2.36 118.16 116.34 2e5h n LYS 51 Ca -0.03 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2e5h n LYS 51 Cb 0.64 -5.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 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 -0.70 1.35 3.55 0.72 0.00 -1.23 -4.44 105.19 104.44 2e5h n GLY 52 Ca -0.23 -0.01 -0.44 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 0.24 -3.83 1.61 0.31 -0.99 -3.33 118.33 112.34 2e5h n VAL 53 Ca 0.00 -0.45 -0.12 0.00 -0.01 0.00 0.00 64.34 63.76 2e5h n VAL 53 Cb 0.00 -2.33 -0.13 0.00 -0.91 0.00 0.00 33.84 30.47 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 8.61 -0.34 -0.24 3.52 0.00 0.67 -1.69 121.76 132.30 2e5h s ALA 54 Ca 1.03 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 2e5h s ALA 54 Cb -0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2e5h s ALA 54 CO 0.38 -0.07 0.10 -0.06 0.00 0.00 0.00 175.76 176.10 2e5h s PHE 55 N 0.04 3.16 -0.24 0.00 0.40 0.28 -1.66 117.98 119.96 2e5h s PHE 55 Ca -0.00 -0.15 -0.10 0.00 -0.60 0.00 0.00 56.93 56.08 2e5h s PHE 55 Cb -0.01 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 2e5h s PHE 55 CO 0.00 -0.16 0.14 0.42 0.70 0.00 0.00 175.22 176.31 2e5h s ILE 56 N 1.29 5.05 -0.26 0.64 -1.09 -0.71 0.11 121.20 126.23 2e5h s ILE 56 Ca 0.05 0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.40 2e5h s ILE 56 Cb -0.15 -3.36 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 2e5h s ILE 56 CO 0.04 0.34 0.37 -0.22 -1.23 0.00 0.00 174.94 174.24 2e5h s LEU 57 N 1.25 4.05 0.03 2.97 0.20 -0.43 -0.05 118.68 126.70 2e5h s LEU 57 Ca 0.06 0.31 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 2e5h s LEU 57 Cb -0.14 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 2e5h s LEU 57 CO 0.05 -0.17 0.18 -0.36 -0.29 0.00 0.00 176.35 175.76 2e5h s PHE 58 N 1.97 3.48 0.16 5.38 0.40 -1.26 -1.86 117.98 126.26 2e5h s PHE 58 Ca 0.15 0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 56.54 2e5h s PHE 58 Cb -0.16 -1.77 0.07 0.00 0.51 0.00 0.00 43.02 41.68 2e5h s PHE 58 CO 0.10 0.60 1.62 1.25 0.70 0.00 0.00 175.22 179.48 2e5h h LEU 59 N 3.42 -0.84 -9.75 -0.37 5.85 -1.81 -3.43 115.31 108.37 2e5h h LEU 59 Ca -0.47 0.16 -0.59 0.00 0.84 0.00 0.00 57.88 57.83 2e5h h LEU 59 Cb 1.17 0.41 -0.10 0.00 0.37 0.00 0.00 40.66 42.51 2e5h h LEU 59 CO 0.72 -0.28 -0.56 -0.62 -0.34 0.00 0.00 178.44 177.36 2e5h s ASP 60 N -5.09 4.23 -0.08 1.25 2.15 -1.26 -5.05 116.67 112.82 2e5h s ASP 60 Ca -0.15 -1.12 -0.26 0.00 0.43 0.00 0.00 52.55 51.45 2e5h s ASP 60 Cb 0.14 -0.48 -0.24 0.00 -0.30 0.00 0.00 42.92 42.04 2e5h s ASP 60 CO 0.69 -0.43 0.97 0.50 -0.17 0.00 0.00 175.17 176.73 2e5h h LYS 61 N 1.62 0.08 -0.70 4.34 3.11 -1.92 -3.30 116.57 119.80 2e5h h LYS 61 Ca -0.43 -0.09 0.10 0.00 -2.81 0.00 0.00 60.65 57.41 2e5h h LYS 61 Cb 1.25 0.03 -0.12 0.00 -1.00 0.00 0.00 32.23 32.39 2e5h h LYS 61 CO 0.72 0.89 -0.45 0.22 -2.81 0.00 0.00 179.45 178.01 2e5h h ASP 62 N -0.68 -1.59 -0.73 4.20 3.58 -1.96 0.13 116.42 119.36 2e5h h ASP 62 Ca -0.02 0.27 0.16 0.00 0.42 0.00 0.00 57.03 57.86 2e5h h ASP 62 Cb 0.93 0.74 -0.13 0.00 1.72 0.00 0.00 39.33 42.59 2e5h h ASP 62 CO 0.03 -0.32 0.02 0.77 -2.88 0.00 0.00 179.24 176.86 2e5h h SER 63 N -0.16 -0.31 0.00 2.28 4.64 -1.94 -2.55 113.55 115.50 2e5h h SER 63 Ca 0.20 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2e5h h SER 63 Cb 0.55 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2e5h h SER 63 CO -0.77 -0.16 0.00 0.00 -0.87 0.00 0.00 176.83 175.03 2e5h n ALA 64 N -2.90 -0.32 -0.25 5.18 0.00 0.42 -2.33 120.51 120.30 2e5h n ALA 64 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.64 2e5h n ALA 64 Cb 0.45 0.17 0.15 0.00 0.00 0.00 0.00 19.45 20.22 2e5h n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2e5h n GLN 65 N -2.33 -0.06 0.08 0.00 6.02 -0.93 0.75 117.38 120.90 2e5h n GLN 65 Ca 0.00 1.10 -0.13 0.00 -0.01 0.00 0.00 57.00 57.96 2e5h n GLN 65 Cb 0.00 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 29.51 2e5h n GLN 65 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2e5h h ASN 66 N 0.00 -1.17 -0.13 1.08 -0.73 -1.08 -1.55 115.58 112.00 2e5h h ASN 66 Ca 0.38 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.69 2e5h h ASN 66 Cb 0.68 0.46 -0.01 0.00 0.27 0.00 0.00 38.32 39.72 2e5h h ASN 66 CO -0.71 -0.45 0.06 0.00 -0.37 0.00 0.00 177.43 175.96 2e5h h THR 68 N 0.07 0.00 0.00 0.00 2.02 -0.30 0.20 112.91 114.90 2e5h h THR 68 Ca 0.04 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 2e5h h THR 68 Cb 0.16 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2e5h h THR 68 CO -0.00 0.00 -1.60 -1.14 0.37 0.00 0.00 175.52 173.15 2e5h n ARG 69 N -2.22 1.53 -0.01 6.66 0.63 -0.61 -3.79 116.66 118.85 2e5h n ARG 69 Ca -0.01 -0.04 -0.13 0.00 -0.92 0.00 0.00 57.85 56.75 2e5h n ARG 69 Cb 0.30 -1.25 -0.10 0.00 0.45 0.00 0.00 32.46 31.86 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 0.69 -0.06 0.04 5.13 0.00 0.25 -3.33 119.26 121.99 2e5h h ALA 70 Ca -0.16 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 2e5h h ALA 70 Cb 1.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2e5h h ALA 70 CO 0.01 -0.20 -1.12 -0.84 0.00 0.00 0.00 179.25 177.10 2e5h h ILE 71 N -0.72 1.61 -2.29 0.00 3.07 -1.34 -3.45 117.51 114.39 2e5h h ILE 71 Ca -0.01 -3.27 -0.61 0.00 1.55 0.00 0.00 64.86 62.52 2e5h h ILE 71 Cb 0.62 2.86 0.12 0.00 -0.27 0.00 0.00 36.82 40.15 2e5h h ILE 71 CO 0.01 0.93 -0.03 -3.20 -1.05 0.00 0.00 178.15 174.81 2e5h n ASN 72 N -3.40 0.64 -2.21 2.16 5.15 -1.25 -0.92 115.26 115.42 2e5h n ASN 72 Ca -0.04 1.13 -0.20 0.00 -0.60 0.00 0.00 54.58 54.87 2e5h n ASN 72 Cb 0.97 -1.22 -0.01 0.00 -0.53 0.00 0.00 39.78 38.99 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 1.28 -5.64 -4.07 1.20 3.02 -1.25 -4.93 115.26 104.87 2e5h n ASN 73 Ca 0.11 0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.50 2e5h n ASN 73 Cb 0.33 -4.68 -0.13 0.00 -0.61 0.00 0.00 39.78 34.68 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2e5h s LYS 74 N -4.92 0.67 -0.19 3.52 2.47 -0.10 -5.05 119.74 116.15 2e5h s LYS 74 Ca 0.00 -0.60 -0.09 0.00 -1.56 0.00 0.00 55.97 53.72 2e5h s LYS 74 Cb 0.00 -0.60 -0.05 0.00 -1.46 0.00 0.00 37.83 35.73 2e5h s LYS 74 CO 0.00 0.14 0.12 1.14 0.16 0.00 0.00 175.35 176.91 2e5h s GLN 75 N -0.98 4.05 -0.06 4.03 -2.07 -1.26 -1.17 119.66 122.20 2e5h s GLN 75 Ca -0.02 -0.23 0.03 0.00 -1.82 0.00 0.00 55.36 53.32 2e5h s GLN 75 Cb -0.07 -3.35 0.01 0.00 -1.09 0.00 0.00 33.01 28.51 2e5h s GLN 75 CO 0.01 0.36 -0.14 -0.51 -1.32 0.00 0.00 175.29 173.68 2e5h s LEU 76 N 0.19 1.74 -1.54 2.60 1.02 -0.79 -4.73 118.68 117.16 2e5h s LEU 76 Ca 0.08 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 2e5h s LEU 76 Cb -0.11 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.20 2e5h s LEU 76 CO -0.01 0.07 0.26 0.49 0.02 0.00 0.00 176.35 177.18 2e5h n PHE 77 N 3.66 -1.33 -2.57 0.29 3.01 -1.26 -2.97 117.46 116.28 2e5h n PHE 77 Ca -0.22 0.23 -0.08 0.00 1.01 0.00 0.00 57.45 58.39 2e5h n PHE 77 Cb 0.52 -3.96 0.04 0.00 -0.01 0.00 0.00 39.48 36.07 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 -1.23 -0.04 3.20 1.37 0.00 -1.26 -5.02 105.19 102.20 2e5h n GLY 78 Ca -0.17 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.25 0.18 -0.72 1.61 1.70 -1.16 -5.09 118.95 111.22 2e5h s ARG 79 Ca 0.10 0.35 -0.25 0.00 -0.47 0.00 0.00 55.73 55.47 2e5h s ARG 79 Cb -0.01 0.20 -0.14 0.00 -0.57 0.00 0.00 34.95 34.42 2e5h s ARG 79 CO 0.37 -0.15 2.44 0.28 -1.08 0.00 0.00 175.30 177.16 2e5h n VAL 80 N 5.27 -0.04 -2.57 4.99 0.31 -1.26 -1.89 118.33 123.13 2e5h n VAL 80 Ca -0.07 -0.55 -0.42 0.00 -0.01 0.00 0.00 64.34 63.28 2e5h n VAL 80 Cb 0.54 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 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 11.19 4.48 -0.10 2.52 1.01 -0.31 -4.77 121.20 135.22 2e5h s ILE 81 Ca 1.06 1.78 -0.07 0.00 0.00 0.00 0.00 60.65 63.42 2e5h s ILE 81 Cb -0.41 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2e5h s ILE 81 CO 0.28 0.12 0.16 -0.54 0.00 0.00 0.00 174.94 174.96 2e5h s LYS 82 N 1.16 3.47 -0.06 2.79 -0.14 -1.22 -3.91 119.74 121.83 2e5h s LYS 82 Ca 0.55 -0.10 0.02 0.00 -1.36 0.00 0.00 55.97 55.07 2e5h s LYS 82 Cb -0.25 -3.18 0.02 0.00 -1.68 0.00 0.00 37.83 32.74 2e5h s LYS 82 CO 0.28 0.77 -0.09 0.00 -0.76 0.00 0.00 175.35 175.54 2e5h s ALA 83 N -1.05 1.08 -0.13 5.17 0.00 -1.26 -2.05 121.76 123.51 2e5h s ALA 83 Ca 0.16 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 2e5h s ALA 83 Cb -0.12 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.48 2e5h s ALA 83 CO 0.06 0.01 0.47 -1.12 0.00 0.00 0.00 175.76 175.18 2e5h s SER 84 N 0.87 -0.46 0.26 0.00 0.01 -0.53 -4.81 113.70 109.04 2e5h s SER 84 Ca -0.11 0.76 -0.31 0.00 1.31 0.00 0.00 55.95 57.60 2e5h s SER 84 Cb -0.15 0.79 -0.12 0.00 0.21 0.00 0.00 66.02 66.75 2e5h s SER 84 CO 0.01 -0.28 1.64 -0.38 0.41 0.00 0.00 173.24 174.64 2e5h n ILE 85 N 2.25 0.62 -3.69 1.44 2.08 -1.26 0.08 119.36 120.87 2e5h n ILE 85 Ca -0.16 -0.15 -0.37 0.00 0.56 0.00 0.00 62.75 62.63 2e5h n ILE 85 Cb 0.57 -1.96 -0.09 0.00 -0.75 0.00 0.00 39.64 37.41 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 0.45 3.63 -2.77 -1.39 0.00 -1.14 -4.76 121.76 115.78 2e5h s ALA 86 Ca 0.68 -3.29 0.26 0.00 0.00 0.00 0.00 51.96 49.61 2e5h s ALA 86 Cb -0.50 -2.73 0.59 0.00 0.00 0.00 0.00 23.12 20.48 2e5h s ALA 86 CO 0.42 -2.12 1.49 0.44 0.00 0.00 0.00 175.76 175.98