#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5h n SER -5 N 0.00 -0.10 0.01 1.61 2.88 -1.26 -4.88 113.62 111.89 2e5h n SER -5 Ca 0.00 1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 58.56 2e5h n SER -5 Cb 0.00 -0.90 -0.09 0.00 -0.75 0.00 0.00 64.21 62.47 2e5h n SER -5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2e5h h SER -4 N 2.80 -0.11 0.00 -3.46 0.87 -2.09 -3.42 113.55 108.15 2e5h h SER -4 Ca -0.48 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 2e5h h SER -4 Cb 1.40 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2e5h h SER -4 CO 0.63 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 178.05 2e5h n GLY -3 N 0.71 -2.28 3.52 5.77 0.00 -1.26 -4.43 105.19 107.22 2e5h n GLY -3 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.11 -3.54 1.61 7.64 -1.26 -4.84 113.62 114.34 2e5h n SER -2 Ca 0.00 -0.22 -0.12 0.00 1.01 0.00 0.00 58.87 59.54 2e5h n SER -2 Cb 0.00 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 61.95 2e5h n SER -2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2e5h s SER -1 N 10.00 -0.43 0.00 6.43 0.15 -1.26 -4.75 113.70 123.85 2e5h s SER -1 Ca 1.18 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2e5h s SER -1 Cb -0.74 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2e5h s SER -1 CO 0.38 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2e5h n GLY 0 N -0.03 2.50 0.49 9.45 0.00 -1.26 -5.07 105.19 111.27 2e5h n GLY 0 Ca -0.17 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.25 -0.06 1.61 0.00 -1.26 -4.72 117.12 112.94 2e5h n MET 1 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 57.70 57.65 2e5h n MET 1 Cb 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 33.22 32.17 2e5h n MET 1 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 2e5h h SER 2 N -0.31 0.80 -2.72 6.12 0.02 -2.06 -3.48 113.55 111.92 2e5h h SER 2 Ca -0.28 -0.55 -0.06 0.00 -0.84 0.00 0.00 61.79 60.05 2e5h h SER 2 Cb 1.29 -0.23 0.03 0.00 0.14 0.00 0.00 62.40 63.63 2e5h h SER 2 CO -0.14 1.21 -0.15 0.61 -1.14 0.00 0.00 176.83 177.22 2e5h n GLY 3 N 0.44 0.29 2.76 -3.77 0.00 -1.26 -5.04 105.19 98.61 2e5h n GLY 3 Ca -0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 2e5h n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e5h s GLY 4 N -3.26 -1.34 -0.02 -0.02 0.00 -1.26 -5.15 107.32 96.27 2e5h s GLY 4 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 2e5h s GLY 4 CO 0.14 3.74 1.07 0.48 0.00 0.00 0.00 173.10 178.52 2e5h s LEU 5 N 0.90 -0.20 -0.28 0.66 -0.00 -1.26 -5.18 118.68 113.32 2e5h s LEU 5 Ca 0.29 -0.11 -0.20 0.00 -0.00 0.00 0.00 54.13 54.11 2e5h s LEU 5 Cb 0.01 1.76 0.11 0.00 -0.00 0.00 0.00 46.19 48.07 2e5h s LEU 5 CO -0.06 -0.52 0.85 0.00 -0.00 0.00 0.00 176.35 176.63 2e5h s ALA 6 N -2.83 -1.99 0.87 1.48 0.00 -1.26 -5.17 121.76 112.85 2e5h s ALA 6 Ca 0.09 2.16 -0.11 0.00 0.00 0.00 0.00 51.96 54.11 2e5h s ALA 6 Cb 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.77 2e5h s ALA 6 CO -0.04 -0.33 1.09 -1.25 0.00 0.00 0.00 175.76 175.23 2e5h s PRO 7 N 0.99 1.49 0.02 0.00 0.04 -1.26 -5.08 135.00 131.19 2e5h s PRO 7 Ca -0.05 0.90 -0.24 0.00 0.04 0.00 0.00 61.00 61.66 2e5h s PRO 7 Cb -0.05 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.72 2e5h s PRO 7 CO -0.11 -2.10 0.54 -1.12 0.04 0.00 0.00 177.00 174.25 2e5h s SER 8 N -3.41 -0.48 0.13 6.66 0.01 -0.85 -4.92 113.70 110.85 2e5h s SER 8 Ca 0.63 0.31 -0.18 0.00 1.31 0.00 0.00 55.95 58.03 2e5h s SER 8 Cb -0.18 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 2e5h s SER 8 CO 0.57 -0.67 1.75 0.11 0.41 0.00 0.00 173.24 175.41 2e5h h LYS 9 N 2.94 0.44 -0.95 12.44 1.57 -1.97 -2.63 116.57 128.41 2e5h h LYS 9 Ca -0.30 -0.04 0.27 0.00 -1.87 0.00 0.00 60.65 58.70 2e5h h LYS 9 Cb 1.19 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.28 2e5h h LYS 9 CO 0.40 0.35 0.47 0.66 -0.57 0.00 0.00 179.45 180.76 2e5h h SER 10 N 0.40 0.40 -4.27 0.86 4.64 -1.88 -3.42 113.55 110.29 2e5h h SER 10 Ca 0.11 0.17 -0.52 0.00 -0.47 0.00 0.00 61.79 61.08 2e5h h SER 10 Cb 0.03 0.14 0.18 0.00 -0.31 0.00 0.00 62.40 62.44 2e5h h SER 10 CO -0.02 -0.06 0.27 -0.89 -0.87 0.00 0.00 176.83 175.26 2e5h s THR 11 N -5.79 2.35 -0.16 2.95 2.01 -0.99 -3.08 115.64 112.93 2e5h s THR 11 Ca -0.11 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 2e5h s THR 11 Cb 0.28 -2.31 0.06 0.00 0.01 0.00 0.00 72.50 70.53 2e5h s THR 11 CO 0.78 -0.14 0.07 -0.69 -0.69 0.00 0.00 174.62 173.96 2e5h s VAL 12 N -2.61 0.04 -0.47 3.82 1.01 0.11 -3.78 120.40 118.52 2e5h s VAL 12 Ca 0.67 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 2e5h s VAL 12 Cb -0.23 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2e5h s VAL 12 CO 0.56 -0.20 1.84 -0.47 0.00 0.00 0.00 175.10 176.82 2e5h s TYR 13 N 2.09 1.74 -0.21 5.22 6.14 0.27 -2.02 117.35 130.58 2e5h s TYR 13 Ca 0.02 0.75 0.00 0.00 0.64 0.00 0.00 57.07 58.47 2e5h s TYR 13 Cb -0.16 -4.09 0.02 0.00 0.42 0.00 0.00 41.96 38.15 2e5h s TYR 13 CO -0.08 -2.59 -0.14 0.08 0.64 0.00 0.00 175.55 173.45 2e5h s VAL 14 N 8.05 2.41 0.29 3.14 1.01 -0.42 -1.17 120.40 133.71 2e5h s VAL 14 Ca 0.74 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2e5h s VAL 14 Cb -0.17 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.11 2e5h s VAL 14 CO 0.27 0.40 0.12 -0.24 0.00 0.00 0.00 175.10 175.66 2e5h n SER 15 N 4.63 2.30 -2.08 3.32 2.88 -0.84 -0.13 113.62 123.70 2e5h n SER 15 Ca -0.19 -2.10 -0.15 0.00 -1.33 0.00 0.00 58.87 55.10 2e5h n SER 15 Cb 0.49 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.59 -4.27 -4.80 -3.46 4.13 -1.26 -3.63 115.26 100.38 2e5h n ASN 16 Ca -0.06 0.22 -0.37 0.00 1.68 0.00 0.00 54.58 56.05 2e5h n ASN 16 Cb 0.34 -3.71 -0.06 0.00 -1.54 0.00 0.00 39.78 34.82 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 -5.11 4.43 -1.01 3.41 1.43 -1.23 -4.57 118.68 116.04 2e5h s LEU 17 Ca 0.00 1.56 -0.24 0.00 -1.03 0.00 0.00 54.13 54.42 2e5h s LEU 17 Cb 0.00 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 2e5h s LEU 17 CO 0.00 0.08 1.94 -2.16 0.23 0.00 0.00 176.35 176.44 2e5h s PRO 18 N -1.70 2.54 0.59 1.29 0.04 -1.26 -3.84 135.00 132.65 2e5h s PRO 18 Ca 0.42 -0.62 0.32 0.00 0.04 0.00 0.00 61.00 61.16 2e5h s PRO 18 Cb -0.19 -5.13 1.29 0.00 0.04 0.00 0.00 34.50 30.51 2e5h s PRO 18 CO 0.23 -3.60 1.60 0.27 0.04 0.00 0.00 177.00 175.55 2e5h h PHE 19 N 10.71 0.00 -0.98 0.56 -5.15 -1.93 0.15 116.94 120.30 2e5h h PHE 19 Ca 0.14 0.00 0.29 0.00 -0.20 0.00 0.00 57.97 58.20 2e5h h PHE 19 Cb 0.98 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.11 2e5h h PHE 19 CO 1.22 0.00 0.91 0.77 -2.00 0.00 0.00 178.31 179.21 2e5h h SER 20 N 0.00 0.00 -3.34 -0.68 0.02 -2.03 -3.40 113.55 104.12 2e5h h SER 20 Ca 0.46 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.12 2e5h h SER 20 Cb 2.35 0.00 0.11 0.00 0.14 0.00 0.00 62.40 65.01 2e5h h SER 20 CO -0.00 0.00 0.27 0.18 -1.14 0.00 0.00 176.83 176.13 2e5h n LEU 21 N -3.69 0.00 -4.26 5.07 4.77 0.53 -5.11 117.00 114.31 2e5h n LEU 21 Ca 0.21 -1.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.01 2e5h n LEU 21 Cb 1.23 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 2e5h n LEU 21 CO 0.31 -1.12 -0.44 0.28 -1.33 0.00 0.00 177.39 175.10 2e5h s THR 22 N -2.89 1.34 0.24 -5.08 -1.32 -1.26 -5.00 115.64 101.67 2e5h s THR 22 Ca 0.50 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 59.12 2e5h s THR 22 Cb -0.01 -1.67 0.33 0.00 -1.51 0.00 0.00 72.50 69.63 2e5h s THR 22 CO 0.35 -0.52 1.20 -0.46 -2.21 0.00 0.00 174.62 172.98 2e5h n ASN 23 N 0.23 -0.11 -0.02 8.08 0.23 -1.26 0.13 115.26 122.55 2e5h n ASN 23 Ca -0.13 1.31 -0.09 0.00 -0.53 0.00 0.00 54.58 55.14 2e5h n ASN 23 Cb 0.58 -0.47 -0.03 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.39 0.02 0.53 -0.73 -2.00 -1.17 115.58 111.84 2e5h h ASN 24 Ca 0.46 0.08 0.01 0.00 1.87 0.00 0.00 56.30 58.72 2e5h h ASN 24 Cb 0.92 0.20 -0.03 0.00 0.27 0.00 0.00 38.32 39.68 2e5h h ASN 24 CO -0.73 -0.16 -0.35 0.44 -0.37 0.00 0.00 177.43 176.26 2e5h h ASP 25 N -0.13 -1.08 -0.43 1.15 3.32 0.69 -2.62 116.42 117.33 2e5h h ASP 25 Ca 0.10 0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.35 2e5h h ASP 25 Cb 0.28 0.41 -0.10 0.00 0.22 0.00 0.00 39.33 40.14 2e5h h ASP 25 CO -0.24 -0.35 -0.34 -0.07 -1.72 0.00 0.00 179.24 176.52 2e5h h LEU 26 N -0.46 -1.15 -0.79 1.55 3.38 -1.34 0.83 115.31 117.34 2e5h h LEU 26 Ca 0.00 0.20 0.14 0.00 0.09 0.00 0.00 57.88 58.31 2e5h h LEU 26 Cb 0.48 0.54 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 2e5h h LEU 26 CO -0.22 -0.33 -0.27 0.00 0.09 0.00 0.00 178.44 177.71 2e5h n TYR 27 N -5.42 0.12 -0.04 1.13 4.19 -0.46 -0.18 117.16 116.51 2e5h n TYR 27 Ca 0.01 0.97 -0.14 0.00 3.31 0.00 0.00 57.90 62.06 2e5h n TYR 27 Cb 0.34 -0.86 -0.11 0.00 0.49 0.00 0.00 39.34 39.21 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 0.02 -0.96 2.98 3.08 -1.01 -1.27 114.38 117.22 2e5h h ARG 28 Ca 0.31 -0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.64 2e5h h ARG 28 Cb 0.51 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.41 2e5h h ARG 28 CO -0.80 0.72 0.42 0.82 -1.07 0.00 0.00 179.97 180.06 2e5h h ILE 29 N -0.66 0.26 0.00 2.04 2.04 0.17 0.91 117.51 122.27 2e5h h ILE 29 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2e5h h ILE 29 Cb 0.72 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2e5h h ILE 29 CO 0.01 0.04 -0.75 -0.26 0.00 0.00 0.00 178.15 177.19 2e5h h PHE 30 N 0.24 0.00 0.00 1.37 0.04 -0.61 -3.31 116.94 114.66 2e5h h PHE 30 Ca 0.67 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.42 2e5h h PHE 30 Cb 1.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.65 2e5h h PHE 30 CO -0.13 0.00 -0.08 1.03 -0.60 0.00 0.00 178.31 178.53 2e5h h SER 31 N 0.00 0.00 -0.07 2.17 0.87 0.21 -1.78 113.55 114.95 2e5h h SER 31 Ca -0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2e5h h SER 31 Cb 1.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2e5h h SER 31 CO 0.00 0.08 0.13 0.07 -0.53 0.00 0.00 176.83 176.58 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.52 -3.06 116.57 116.34 2e5h h LYS 32 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2e5h h LYS 32 Cb 0.22 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.50 2e5h h LYS 32 CO 0.01 0.00 -2.09 0.66 -2.00 0.00 0.00 179.45 176.03 2e5h n TYR 33 N -3.50 0.00 -3.78 0.07 4.01 -0.69 -5.05 117.16 108.22 2e5h n TYR 33 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 2e5h n TYR 33 Cb 0.22 -0.85 -0.09 0.00 -0.31 0.00 0.00 39.34 38.31 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 -5.33 -0.13 0.21 2.72 0.00 -1.06 -4.94 107.32 98.79 2e5h s GLY 34 Ca -0.36 0.30 -0.32 0.00 0.00 0.00 0.00 44.72 44.34 2e5h s GLY 34 CO 0.47 0.10 1.43 1.17 0.00 0.00 0.00 173.10 176.27 2e5h n LYS 35 N 1.39 1.97 -4.01 2.90 3.00 -1.26 -3.96 118.16 118.19 2e5h n LYS 35 Ca -0.21 0.71 -0.36 0.00 -0.00 0.00 0.00 58.31 58.44 2e5h n LYS 35 Cb 0.56 -2.38 -0.07 0.00 0.00 0.00 0.00 35.03 33.14 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 5.19 -0.14 3.15 1.01 -1.26 -2.61 120.40 125.91 2e5h s VAL 36 Ca 0.72 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.82 2e5h s VAL 36 Cb -0.68 -3.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 2e5h s VAL 36 CO 0.47 0.61 -0.08 0.52 0.00 0.00 0.00 175.10 176.62 2e5h n VAL 37 N 2.00 0.87 -3.74 2.92 0.31 -1.08 -4.91 118.33 114.71 2e5h n VAL 37 Ca -0.19 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.61 2e5h n VAL 37 Cb 0.55 -0.93 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 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 -2.31 0.78 -0.18 5.55 1.02 -1.24 -5.08 119.74 118.29 2e5h s LYS 38 Ca -0.16 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 55.51 2e5h s LYS 38 Cb 0.05 0.34 0.02 0.00 -0.52 0.00 0.00 37.83 37.72 2e5h s LYS 38 CO 0.40 -0.24 -0.19 0.08 -0.92 0.00 0.00 175.35 174.49 2e5h s VAL 39 N -2.01 2.00 -0.07 3.17 1.01 -1.26 -1.78 120.40 121.46 2e5h s VAL 39 Ca -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2e5h s VAL 39 Cb -0.03 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2e5h s VAL 39 CO 0.00 0.50 -0.07 -0.89 0.00 0.00 0.00 175.10 174.64 2e5h s THR 40 N 1.31 3.70 -0.01 3.92 2.01 0.14 -5.00 115.64 121.70 2e5h s THR 40 Ca 0.04 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2e5h s THR 40 Cb -0.13 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 2e5h s THR 40 CO -0.12 0.60 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.68 2e5h s ILE 41 N -0.81 0.73 0.66 1.82 1.01 -1.26 0.11 121.20 123.46 2e5h s ILE 41 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 2e5h s ILE 41 Cb -0.11 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 2e5h s ILE 41 CO 0.01 0.21 1.06 -0.04 0.00 0.00 0.00 174.94 176.18 2e5h s MET 42 N -0.12 3.29 -0.25 2.79 -1.94 -0.45 -4.90 119.30 117.71 2e5h s MET 42 Ca 0.02 0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 54.62 2e5h s MET 42 Cb -0.05 -2.05 0.14 0.00 2.01 0.00 0.00 34.83 34.88 2e5h s MET 42 CO -0.00 -0.77 0.47 0.15 -0.01 0.00 0.00 175.02 174.85 2e5h s LYS 43 N -5.24 0.42 1.00 2.03 1.02 -1.26 -4.06 119.74 113.66 2e5h s LYS 43 Ca 0.56 0.85 -0.14 0.00 0.02 0.00 0.00 55.97 57.26 2e5h s LYS 43 Cb -0.11 0.08 0.16 0.00 -0.52 0.00 0.00 37.83 37.44 2e5h s LYS 43 CO 0.53 -0.52 0.28 -3.47 -0.92 0.00 0.00 175.35 171.25 2e5h n ASP 44 N 5.40 -2.97 -0.01 2.83 2.03 -0.90 -4.85 116.55 118.08 2e5h n ASP 44 Ca -0.05 -0.37 0.06 0.00 0.52 0.00 0.00 54.79 54.96 2e5h n ASP 44 Cb 0.50 -0.77 -0.10 0.00 -0.72 0.00 0.00 41.12 40.03 2e5h n ASP 44 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2e5h n LYS 45 N -1.67 0.40 -0.00 -0.67 4.81 -1.26 -4.06 118.16 115.70 2e5h n LYS 45 Ca 0.05 -0.12 -0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2e5h n LYS 45 Cb 0.36 -1.31 -0.00 0.00 0.02 0.00 0.00 35.03 34.11 2e5h n LYS 45 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2e5h n ASP 46 N -1.95 0.02 0.23 3.14 9.92 -1.26 -4.60 116.55 122.05 2e5h n ASP 46 Ca -0.02 0.01 0.15 0.00 -0.53 0.00 0.00 54.79 54.40 2e5h n ASP 46 Cb 0.34 -0.50 0.60 0.00 -0.64 0.00 0.00 41.12 40.92 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 -0.01 0.00 -6.22 -3.53 1.35 -1.99 -3.46 112.91 99.05 2e5h h THR 47 Ca 0.00 -0.45 -0.45 0.00 -0.55 0.00 0.00 66.41 64.96 2e5h h THR 47 Cb 0.01 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2e5h h THR 47 CO 0.00 0.00 -0.79 -1.14 -0.25 0.00 0.00 175.52 173.34 2e5h n ARG 48 N -2.81 -5.28 -4.35 4.72 0.63 -1.26 -4.98 116.66 103.33 2e5h n ARG 48 Ca 0.01 0.60 -0.27 0.00 -0.92 0.00 0.00 57.85 57.27 2e5h n ARG 48 Cb 0.29 -5.35 -0.11 0.00 0.45 0.00 0.00 32.46 27.75 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 -6.36 1.77 0.22 -0.14 -0.14 -1.26 -4.76 119.74 109.06 2e5h s LYS 49 Ca 0.39 -1.36 -0.06 0.00 -1.36 0.00 0.00 55.97 53.58 2e5h s LYS 49 Cb -0.19 -2.01 0.21 0.00 -1.68 0.00 0.00 37.83 34.15 2e5h s LYS 49 CO 0.82 0.43 1.72 1.03 -0.76 0.00 0.00 175.35 178.59 2e5h h SER 50 N 3.20 0.93 -1.87 2.83 0.87 -1.93 -2.40 113.55 115.18 2e5h h SER 50 Ca -0.47 -0.23 -0.40 0.00 -1.23 0.00 0.00 61.79 59.46 2e5h h SER 50 Cb 1.20 -0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.82 2e5h h SER 50 CO 0.50 0.96 -0.44 0.29 -0.53 0.00 0.00 176.83 177.61 2e5h n LYS 51 N -4.21 -1.47 0.00 2.24 5.02 -1.26 -2.59 118.16 115.89 2e5h n LYS 51 Ca 0.04 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 2e5h n LYS 51 Cb 0.30 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.77 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 -0.79 1.14 3.46 0.72 0.00 -1.25 -4.42 105.19 104.05 2e5h n GLY 52 Ca -0.22 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.31 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 0.18 -3.85 1.61 0.31 -1.07 -3.54 118.33 111.97 2e5h n VAL 53 Ca 0.00 -0.28 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 2e5h n VAL 53 Cb 0.00 -1.71 -0.13 0.00 -0.91 0.00 0.00 33.84 31.09 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 7.61 -0.23 -0.22 3.52 0.00 0.81 -1.34 121.76 131.91 2e5h s ALA 54 Ca 1.09 0.18 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 2e5h s ALA 54 Cb -0.81 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 2e5h s ALA 54 CO 0.47 -0.07 0.07 -0.06 0.00 0.00 0.00 175.76 176.17 2e5h s PHE 55 N -0.20 3.16 -0.22 0.00 0.40 0.30 -1.29 117.98 120.13 2e5h s PHE 55 Ca -0.03 -0.15 -0.09 0.00 -0.60 0.00 0.00 56.93 56.07 2e5h s PHE 55 Cb -0.02 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 2e5h s PHE 55 CO 0.00 -0.10 0.10 0.42 0.70 0.00 0.00 175.22 176.35 2e5h s ILE 56 N 1.02 4.93 -0.19 0.64 -1.09 -0.86 0.23 121.20 125.87 2e5h s ILE 56 Ca 0.04 0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.35 2e5h s ILE 56 Cb -0.14 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 2e5h s ILE 56 CO 0.03 0.39 0.30 -0.22 -1.23 0.00 0.00 174.94 174.22 2e5h s LEU 57 N 0.88 4.18 0.24 2.97 0.20 -0.73 0.04 118.68 126.45 2e5h s LEU 57 Ca 0.05 0.43 0.08 0.00 0.69 0.00 0.00 54.13 55.38 2e5h s LEU 57 Cb -0.13 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 43.22 2e5h s LEU 57 CO 0.03 0.02 0.04 -0.36 -0.29 0.00 0.00 176.35 175.80 2e5h s PHE 58 N 0.92 2.84 -0.01 5.38 0.40 -1.18 -2.62 117.98 123.71 2e5h s PHE 58 Ca 0.15 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 2e5h s PHE 58 Cb -0.14 -1.30 -0.15 0.00 0.51 0.00 0.00 43.02 41.95 2e5h s PHE 58 CO 0.05 0.57 1.04 1.25 0.70 0.00 0.00 175.22 178.83 2e5h h LEU 59 N 2.04 -0.41 -8.49 -0.37 5.85 -1.84 -3.44 115.31 108.65 2e5h h LEU 59 Ca -0.46 -0.15 -0.66 0.00 0.84 0.00 0.00 57.88 57.45 2e5h h LEU 59 Cb 1.23 0.11 -0.28 0.00 0.37 0.00 0.00 40.66 42.09 2e5h h LEU 59 CO 0.60 0.01 -0.76 -0.62 -0.34 0.00 0.00 178.44 177.33 2e5h s ASP 60 N -5.04 4.03 0.29 1.25 -1.08 -1.26 -5.00 116.67 109.85 2e5h s ASP 60 Ca -0.13 -0.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.55 2e5h s ASP 60 Cb 0.01 -1.64 0.71 0.00 -1.46 0.00 0.00 42.92 40.54 2e5h s ASP 60 CO 0.46 0.09 1.68 0.07 0.52 0.00 0.00 175.17 177.99 2e5h h LYS 61 N 7.29 0.32 -0.79 4.34 5.09 -1.88 0.16 116.57 131.11 2e5h h LYS 61 Ca -0.33 -0.02 0.16 0.00 0.09 0.00 0.00 60.65 60.56 2e5h h LYS 61 Cb 1.19 -0.07 -0.15 0.00 0.10 0.00 0.00 32.23 33.30 2e5h h LYS 61 CO 0.58 0.21 -0.15 0.22 -2.09 0.00 0.00 179.45 178.22 2e5h h ASP 62 N 0.33 -0.65 0.54 7.07 1.82 -1.96 -1.11 116.42 122.47 2e5h h ASP 62 Ca 0.55 0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 57.39 2e5h h ASP 62 Cb 1.07 0.46 0.01 0.00 0.68 0.00 0.00 39.33 41.54 2e5h h ASP 62 CO -0.57 -0.25 -0.26 0.28 -1.61 0.00 0.00 179.24 176.83 2e5h h SER 63 N 0.02 -0.62 -0.92 2.28 0.02 -1.35 -3.17 113.55 109.82 2e5h h SER 63 Ca 0.39 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.43 2e5h h SER 63 Cb 0.63 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.21 2e5h h SER 63 CO -0.79 -0.39 -0.49 0.00 -1.14 0.00 0.00 176.83 174.03 2e5h n ALA 64 N -2.45 -0.44 -0.04 3.77 0.00 -0.47 -1.53 120.51 119.34 2e5h n ALA 64 Ca -0.12 0.83 -0.01 0.00 0.00 0.00 0.00 53.44 54.14 2e5h n ALA 64 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -5.22 -0.04 -0.28 0.00 1.13 -0.87 -0.39 117.38 111.71 2e5h n GLN 65 Ca 0.04 0.93 0.00 0.00 -1.94 0.00 0.00 57.00 56.04 2e5h n GLN 65 Cb 0.28 -1.40 0.04 0.00 0.11 0.00 0.00 30.24 29.28 2e5h n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2e5h n ASN 66 N -3.11 -0.45 -0.30 1.08 5.15 -0.58 0.22 115.26 117.27 2e5h n ASN 66 Ca 0.00 1.30 0.01 0.00 -0.60 0.00 0.00 54.58 55.29 2e5h n ASN 66 Cb 0.02 -0.32 0.14 0.00 -0.53 0.00 0.00 39.78 39.10 2e5h n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5h n THR 68 N -4.66 0.99 0.01 0.00 -1.04 0.61 -1.43 114.28 108.75 2e5h n THR 68 Ca 0.12 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 2e5h n THR 68 Cb 0.19 -1.13 -0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 -1.33 6.83 0.00 -2.82 0.63 0.50 -3.99 116.66 116.49 2e5h n ARG 69 Ca 0.03 -0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.74 2e5h n ARG 69 Cb 0.06 -0.52 -0.14 0.00 0.45 0.00 0.00 32.46 32.32 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 0.03 0.38 0.00 5.13 0.00 0.51 -3.39 119.26 121.92 2e5h h ALA 70 Ca 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 54.91 53.45 2e5h h ALA 70 Cb 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2e5h h ALA 70 CO 0.00 1.20 -1.95 0.44 0.00 0.00 0.00 179.25 178.94 2e5h n ILE 71 N -3.62 0.60 -1.70 0.00 -5.35 -0.81 -4.86 119.36 103.63 2e5h n ILE 71 Ca -0.31 -0.63 -0.44 0.00 -0.27 0.00 0.00 62.75 61.10 2e5h n ILE 71 Cb 1.00 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.51 3.45 -3.25 7.28 5.15 -1.26 -1.80 115.26 122.32 2e5h n ASN 72 Ca -0.13 1.09 -0.21 0.00 -0.60 0.00 0.00 54.58 54.73 2e5h n ASN 72 Cb 0.77 -1.50 0.07 0.00 -0.53 0.00 0.00 39.78 38.59 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 3.28 -5.88 -4.09 1.20 4.13 -1.22 -4.90 115.26 107.77 2e5h n ASN 73 Ca 0.15 -0.48 -0.12 0.00 1.68 0.00 0.00 54.58 55.81 2e5h n ASN 73 Cb 0.32 -4.53 -0.11 0.00 -1.54 0.00 0.00 39.78 33.92 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 -6.16 0.62 -0.11 3.52 -0.14 -0.75 -5.05 119.74 111.67 2e5h s LYS 74 Ca 0.52 -0.97 -0.14 0.00 -1.36 0.00 0.00 55.97 54.02 2e5h s LYS 74 Cb -0.23 -0.20 -0.05 0.00 -1.68 0.00 0.00 37.83 35.67 2e5h s LYS 74 CO 0.65 0.01 0.35 -0.65 -0.76 0.00 0.00 175.35 174.95 2e5h s GLN 75 N -2.47 4.13 -0.05 1.68 -0.21 -1.26 -1.53 119.66 119.96 2e5h s GLN 75 Ca -0.02 0.23 -0.03 0.00 0.02 0.00 0.00 55.36 55.56 2e5h s GLN 75 Cb -0.04 -3.36 0.03 0.00 1.00 0.00 0.00 33.01 30.64 2e5h s GLN 75 CO -0.02 0.37 0.11 -0.51 -2.12 0.00 0.00 175.29 173.12 2e5h s LEU 76 N 0.02 1.09 -1.45 2.90 1.02 -1.18 -4.83 118.68 116.25 2e5h s LEU 76 Ca 0.20 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.58 2e5h s LEU 76 Cb -0.14 0.30 0.00 0.00 0.02 0.00 0.00 46.19 46.36 2e5h s LEU 76 CO 0.08 -0.11 0.00 0.49 0.02 0.00 0.00 176.35 176.83 2e5h n PHE 77 N 3.78 -0.79 -2.73 0.29 3.01 -1.26 -1.25 117.46 118.51 2e5h n PHE 77 Ca -0.22 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.17 2e5h n PHE 77 Cb 0.54 -2.98 0.03 0.00 -0.01 0.00 0.00 39.48 37.06 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 -0.58 0.32 3.16 1.37 0.00 -1.26 -5.03 105.19 103.16 2e5h n GLY 78 Ca -0.17 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.06 0.43 -0.44 1.61 1.70 -0.38 -5.11 118.95 111.69 2e5h s ARG 79 Ca 0.12 0.77 -0.36 0.00 -0.47 0.00 0.00 55.73 55.79 2e5h s ARG 79 Cb -0.05 0.43 -0.14 0.00 -0.57 0.00 0.00 34.95 34.62 2e5h s ARG 79 CO 0.26 -0.46 2.24 0.28 -1.08 0.00 0.00 175.30 176.53 2e5h n VAL 80 N 5.44 0.11 -3.50 4.99 0.31 -1.26 -3.09 118.33 121.34 2e5h n VAL 80 Ca -0.03 -0.21 -0.37 0.00 -0.01 0.00 0.00 64.34 63.71 2e5h n VAL 80 Cb 0.52 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 32.01 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 7.49 5.27 -0.07 2.52 1.01 -0.58 -4.69 121.20 132.13 2e5h s ILE 81 Ca 1.13 0.64 0.01 0.00 0.00 0.00 0.00 60.65 62.43 2e5h s ILE 81 Cb -0.99 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 2e5h s ILE 81 CO 0.51 0.40 -0.08 -0.54 0.00 0.00 0.00 174.94 175.23 2e5h s LYS 82 N 0.33 2.81 0.01 2.79 3.01 -1.24 -3.42 119.74 124.03 2e5h s LYS 82 Ca 0.19 -0.57 0.05 0.00 -1.01 0.00 0.00 55.97 54.63 2e5h s LYS 82 Cb -0.14 -2.59 -0.02 0.00 -1.01 0.00 0.00 37.83 34.08 2e5h s LYS 82 CO 0.06 0.61 -0.16 0.00 0.51 0.00 0.00 175.35 176.37 2e5h s ALA 83 N -0.66 1.34 -0.14 5.17 0.00 -1.26 -1.99 121.76 124.21 2e5h s ALA 83 Ca 0.10 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 2e5h s ALA 83 Cb -0.11 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.79 2e5h s ALA 83 CO 0.02 0.30 0.69 -1.12 0.00 0.00 0.00 175.76 175.65 2e5h s SER 84 N -0.74 -0.69 -0.11 0.00 0.01 -0.32 -4.79 113.70 107.05 2e5h s SER 84 Ca 0.05 1.01 -0.29 0.00 1.31 0.00 0.00 55.95 58.03 2e5h s SER 84 Cb -0.07 0.92 -0.04 0.00 0.21 0.00 0.00 66.02 67.04 2e5h s SER 84 CO 0.00 -0.45 1.61 -0.63 0.41 0.00 0.00 173.24 174.17 2e5h s ILE 85 N -0.53 3.69 -0.61 1.44 -1.09 -1.26 0.96 121.20 123.79 2e5h s ILE 85 Ca -0.06 0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 58.94 2e5h s ILE 85 Cb -0.02 -3.58 0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2e5h s ILE 85 CO 0.06 -0.13 0.93 0.00 -1.23 0.00 0.00 174.94 174.57 2e5h s ALA 86 N 4.35 3.15 -1.88 9.38 0.00 -1.25 -4.84 121.76 130.68 2e5h s ALA 86 Ca 0.71 -1.62 0.15 0.00 0.00 0.00 0.00 51.96 51.20 2e5h s ALA 86 Cb -0.30 -3.78 0.12 0.00 0.00 0.00 0.00 23.12 19.16 2e5h s ALA 86 CO 0.28 -2.58 0.98 0.44 0.00 0.00 0.00 175.76 174.87