#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 5.80 -4.43 1.61 2.88 -1.26 -4.77 113.62 113.45 2e5h n SER -5 Ca 0.00 -2.70 -0.39 0.00 -1.33 0.00 0.00 58.87 54.45 2e5h n SER -5 Cb 0.00 -1.15 -0.07 0.00 -0.75 0.00 0.00 64.21 62.24 2e5h n SER -5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e5h n SER -4 N 1.20 -1.65 0.00 -3.46 2.88 -1.26 -4.72 113.62 106.61 2e5h n SER -4 Ca 0.19 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 2e5h n SER -4 Cb 0.58 -1.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 2e5h n SER -4 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5h n GLY -3 N -1.39 -1.19 0.12 0.46 0.00 -1.26 -5.04 105.19 96.89 2e5h n GLY -3 Ca 0.03 0.59 -0.22 0.00 0.00 0.00 0.00 46.02 46.42 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 1.99 -4.46 1.61 7.64 -1.26 -4.81 113.62 114.33 2e5h n SER -2 Ca 0.00 0.29 -0.41 0.00 1.01 0.00 0.00 58.87 59.76 2e5h n SER -2 Cb 0.00 -0.88 -0.11 0.00 -1.01 0.00 0.00 64.21 62.22 2e5h n SER -2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e5h s SER -1 N -6.97 5.91 0.00 6.43 0.01 -1.26 -4.56 113.70 113.26 2e5h s SER -1 Ca -0.27 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2e5h s SER -1 Cb 0.07 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2e5h s SER -1 CO 0.66 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2e5h n GLY 0 N 5.08 0.70 0.20 3.44 0.00 -1.26 -5.03 105.19 108.31 2e5h n GLY 0 Ca -0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 2e5h n GLY 0 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2e5h h MET 1 N 0.00 0.59 -1.94 1.61 0.00 -1.87 -3.46 114.93 109.86 2e5h h MET 1 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.67 2e5h h MET 1 Cb 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 31.60 31.27 2e5h h MET 1 CO 0.00 0.39 0.34 -1.54 0.00 0.00 0.00 176.91 176.09 2e5h s SER 2 N -5.59 -0.53 0.00 1.22 1.04 -1.26 -5.15 113.70 103.43 2e5h s SER 2 Ca -0.13 0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2e5h s SER 2 Cb 0.12 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2e5h s SER 2 CO 0.73 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2e5h n GLY 3 N 0.67 0.19 5.36 7.32 0.00 -1.26 -5.15 105.19 112.31 2e5h n GLY 3 Ca -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 0.44 3.43 -0.02 0.00 -1.26 -4.92 105.19 102.86 2e5h n GLY 4 Ca 0.00 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 2.47 -0.79 0.99 2.96 -1.26 -4.86 118.68 118.19 2e5h s LEU 5 Ca 0.00 -1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 52.70 2e5h s LEU 5 Cb 0.00 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 2e5h s LEU 5 CO 0.00 -0.35 0.67 0.00 -1.32 0.00 0.00 176.35 175.36 2e5h n ALA 6 N -0.58 -1.61 0.98 5.97 0.00 -1.26 -4.88 120.51 119.12 2e5h n ALA 6 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.44 2e5h n ALA 6 Cb 0.63 -2.85 0.24 0.00 0.00 0.00 0.00 19.45 17.47 2e5h n ALA 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2e5h n PRO 7 N -2.98 0.49 -2.11 0.00 -0.04 -1.26 -4.67 135.00 124.43 2e5h n PRO 7 Ca -0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 2e5h n PRO 7 Cb 0.60 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.82 2e5h n PRO 7 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2e5h s SER 8 N -1.76 5.63 0.09 3.54 1.04 -1.23 -3.56 113.70 117.46 2e5h s SER 8 Ca 0.12 2.02 -0.34 0.00 0.48 0.00 0.00 55.95 58.23 2e5h s SER 8 Cb 0.05 -2.56 -0.15 0.00 0.10 0.00 0.00 66.02 63.47 2e5h s SER 8 CO 0.09 -1.27 1.59 0.11 0.98 0.00 0.00 173.24 174.73 2e5h h LYS 9 N 0.75 -0.85 -0.65 4.02 1.79 -1.87 -2.80 116.57 116.96 2e5h h LYS 9 Ca -0.48 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.14 2e5h h LYS 9 Cb 1.24 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 31.98 2e5h h LYS 9 CO 0.56 -0.56 -0.26 -1.13 -1.08 0.00 0.00 179.45 176.98 2e5h n SER 10 N -5.52 -0.43 -4.65 0.86 3.41 -1.26 -4.36 113.62 101.67 2e5h n SER 10 Ca -0.11 1.13 -0.40 0.00 -0.26 0.00 0.00 58.87 59.23 2e5h n SER 10 Cb 0.42 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2e5h n SER 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2e5h n THR 11 N -4.95 2.77 -3.96 6.66 -1.04 -1.06 -3.47 114.28 109.23 2e5h n THR 11 Ca 0.06 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.27 2e5h n THR 11 Cb 0.26 -1.33 -0.16 0.00 -1.82 0.00 0.00 70.33 67.28 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 -1.29 1.56 -0.55 12.58 1.01 0.13 -4.01 120.40 129.83 2e5h s VAL 12 Ca 0.65 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 2e5h s VAL 12 Cb -0.51 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2e5h s VAL 12 CO 0.55 0.02 1.88 -0.47 0.00 0.00 0.00 175.10 177.08 2e5h s TYR 13 N 1.41 1.66 -0.16 5.22 6.14 -0.02 -2.11 117.35 129.49 2e5h s TYR 13 Ca -0.04 0.81 -0.03 0.00 0.64 0.00 0.00 57.07 58.46 2e5h s TYR 13 Cb -0.18 -4.07 -0.02 0.00 0.42 0.00 0.00 41.96 38.12 2e5h s TYR 13 CO -0.07 -2.43 -0.06 0.08 0.64 0.00 0.00 175.55 173.71 2e5h s VAL 14 N 8.82 3.62 0.36 3.14 1.01 -0.20 -1.37 120.40 135.79 2e5h s VAL 14 Ca 0.71 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.32 2e5h s VAL 14 Cb -0.15 -2.58 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 2e5h s VAL 14 CO 0.24 0.49 -0.04 -0.94 0.00 0.00 0.00 175.10 174.85 2e5h s SER 15 N 0.48 3.60 -1.12 3.32 1.04 -0.37 -0.37 113.70 120.27 2e5h s SER 15 Ca -0.05 -1.28 -0.05 0.00 0.48 0.00 0.00 55.95 55.04 2e5h s SER 15 Cb -0.15 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.65 2e5h s SER 15 CO 0.03 -0.35 0.96 0.59 0.98 0.00 0.00 173.24 175.45 2e5h n ASN 16 N -0.84 -4.55 -4.87 7.02 4.13 -1.26 -2.99 115.26 111.90 2e5h n ASN 16 Ca -0.05 -0.48 -0.37 0.00 1.68 0.00 0.00 54.58 55.36 2e5h n ASN 16 Cb 0.65 -4.41 -0.06 0.00 -1.54 0.00 0.00 39.78 34.43 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 -6.18 4.40 -1.19 3.41 1.43 -1.21 -4.53 118.68 114.82 2e5h s LEU 17 Ca 0.34 0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 53.77 2e5h s LEU 17 Cb -0.15 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 2e5h s LEU 17 CO 0.62 0.38 1.93 -2.16 0.23 0.00 0.00 176.35 177.36 2e5h s PRO 18 N -1.10 2.49 0.58 1.29 0.04 -1.26 -3.74 135.00 133.30 2e5h s PRO 18 Ca 0.18 -1.19 0.40 0.00 0.04 0.00 0.00 61.00 60.43 2e5h s PRO 18 Cb -0.13 -5.25 1.38 0.00 0.04 0.00 0.00 34.50 30.54 2e5h s PRO 18 CO 0.07 -4.00 1.45 1.97 0.04 0.00 0.00 177.00 176.53 2e5h n PHE 19 N 14.39 0.00 -0.39 0.56 -1.74 -1.26 -0.20 117.46 128.82 2e5h n PHE 19 Ca 0.45 0.00 0.32 0.00 -0.56 0.00 0.00 57.45 57.66 2e5h n PHE 19 Cb 0.47 -0.39 0.59 0.00 1.52 0.00 0.00 39.48 41.67 2e5h n PHE 19 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 2e5h h SER 20 N 0.00 0.33 -2.55 5.98 0.02 -2.04 -3.40 113.55 111.89 2e5h h SER 20 Ca 0.75 0.17 -0.21 0.00 -0.84 0.00 0.00 61.79 61.66 2e5h h SER 20 Cb 3.43 0.15 0.10 0.00 0.14 0.00 0.00 62.40 66.23 2e5h h SER 20 CO -0.01 -0.22 0.08 0.18 -1.14 0.00 0.00 176.83 175.73 2e5h n LEU 21 N -4.89 0.00 -4.29 5.07 4.77 0.72 -5.09 117.00 113.29 2e5h n LEU 21 Ca 0.36 -0.64 -0.19 0.00 -0.03 0.00 0.00 56.01 55.52 2e5h n LEU 21 Cb 1.28 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2e5h n LEU 21 CO 0.14 -1.54 -0.45 0.28 -1.33 0.00 0.00 177.39 174.49 2e5h s THR 22 N -2.11 1.54 0.23 -5.08 -1.32 -1.26 -5.00 115.64 102.64 2e5h s THR 22 Ca 0.38 -1.92 0.05 0.00 -1.21 0.00 0.00 61.69 58.98 2e5h s THR 22 Cb -0.03 -1.77 0.29 0.00 -1.51 0.00 0.00 72.50 69.48 2e5h s THR 22 CO 0.29 -0.47 1.13 0.59 -2.21 0.00 0.00 174.62 173.94 2e5h n ASN 23 N 0.17 -0.00 0.09 8.08 4.13 -1.26 0.15 115.26 126.62 2e5h n ASN 23 Ca -0.12 1.21 -0.12 0.00 1.68 0.00 0.00 54.58 57.23 2e5h n ASN 23 Cb 0.58 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 38.29 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 -0.40 -0.14 6.41 -0.73 -2.00 -2.11 115.58 116.60 2e5h h ASN 24 Ca 0.48 0.05 0.02 0.00 1.87 0.00 0.00 56.30 58.72 2e5h h ASN 24 Cb 1.07 0.16 -0.04 0.00 0.27 0.00 0.00 38.32 39.78 2e5h h ASN 24 CO -0.64 -0.21 -0.30 0.44 -0.37 0.00 0.00 177.43 176.34 2e5h h ASP 25 N -0.28 -0.98 -0.50 1.15 3.32 0.96 -2.48 116.42 117.61 2e5h h ASP 25 Ca 0.03 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.27 2e5h h ASP 25 Cb 0.30 0.39 -0.09 0.00 0.22 0.00 0.00 39.33 40.15 2e5h h ASP 25 CO -0.09 -0.25 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.61 2e5h h LEU 26 N -0.28 -1.70 -0.75 1.55 3.38 -1.44 0.01 115.31 116.09 2e5h h LEU 26 Ca 0.03 0.25 0.15 0.00 0.09 0.00 0.00 57.88 58.40 2e5h h LEU 26 Cb 0.35 0.73 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 2e5h h LEU 26 CO -0.28 -0.37 -0.17 0.00 0.09 0.00 0.00 178.44 177.71 2e5h n TYR 27 N -5.39 0.29 -0.01 1.13 4.19 -0.80 0.37 117.16 116.93 2e5h n TYR 27 Ca -0.01 0.91 -0.13 0.00 3.31 0.00 0.00 57.90 61.98 2e5h n TYR 27 Cb 0.34 -0.94 -0.10 0.00 0.49 0.00 0.00 39.34 39.13 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 -0.03 -1.10 2.98 3.08 -0.78 -0.65 114.38 117.88 2e5h h ARG 28 Ca 0.37 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.73 2e5h h ARG 28 Cb 0.58 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 2e5h h ARG 28 CO -0.77 0.52 0.77 0.82 -1.07 0.00 0.00 179.97 180.25 2e5h h ILE 29 N -0.61 0.46 0.00 2.04 2.04 0.16 0.95 117.51 122.55 2e5h h ILE 29 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.82 2e5h h ILE 29 Cb 0.57 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2e5h h ILE 29 CO 0.01 0.02 -0.97 0.49 0.00 0.00 0.00 178.15 177.69 2e5h n PHE 30 N -4.30 0.05 -0.20 1.37 3.72 0.67 -4.26 117.46 114.51 2e5h n PHE 30 Ca 0.24 0.01 -0.09 0.00 -0.05 0.00 0.00 57.45 57.57 2e5h n PHE 30 Cb 1.11 -0.17 0.02 0.00 -0.94 0.00 0.00 39.48 39.50 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 0.97 0.00 4.37 0.87 0.26 -2.36 113.55 117.65 2e5h h SER 31 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2e5h h SER 31 Cb 0.58 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2e5h h SER 31 CO 0.00 1.03 0.61 0.07 -0.53 0.00 0.00 176.83 178.01 2e5h h LYS 32 N 0.88 0.00 0.00 2.24 2.10 -1.69 -2.12 116.57 117.97 2e5h h LYS 32 Ca 0.16 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.69 2e5h h LYS 32 Cb 0.52 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 2e5h h LYS 32 CO 0.03 0.00 -1.34 0.66 -2.00 0.00 0.00 179.45 176.80 2e5h n TYR 33 N -2.68 0.00 -3.71 0.07 4.01 -0.96 -5.06 117.16 108.83 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 0.63 -0.58 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 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 -5.00 -0.35 0.13 2.72 0.00 -0.80 -4.95 107.32 99.07 2e5h s GLY 34 Ca -0.29 1.37 -0.34 0.00 0.00 0.00 0.00 44.72 45.47 2e5h s GLY 34 CO 0.40 1.26 1.03 1.17 0.00 0.00 0.00 173.10 176.96 2e5h n LYS 35 N 3.15 0.62 -3.85 2.90 3.00 -1.26 -4.17 118.16 118.57 2e5h n LYS 35 Ca -0.15 0.22 -0.37 0.00 -0.00 0.00 0.00 58.31 58.01 2e5h n LYS 35 Cb 0.57 -1.64 -0.06 0.00 0.00 0.00 0.00 35.03 33.90 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 -0.25 5.49 -0.26 3.15 1.01 -1.26 -2.62 120.40 125.65 2e5h s VAL 36 Ca 0.77 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 2e5h s VAL 36 Cb -0.99 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 31.84 2e5h s VAL 36 CO 0.54 0.58 -0.29 0.52 0.00 0.00 0.00 175.10 176.45 2e5h n VAL 37 N 2.28 1.47 -3.78 2.92 0.31 -0.89 -4.90 118.33 115.73 2e5h n VAL 37 Ca -0.19 -0.46 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 2e5h n VAL 37 Cb 0.54 -1.66 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.50 0.38 -0.18 5.55 1.02 -1.22 -5.08 119.74 117.70 2e5h s LYS 38 Ca -0.36 0.26 -0.07 0.00 0.02 0.00 0.00 55.97 55.82 2e5h s LYS 38 Cb 0.12 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.57 2e5h s LYS 38 CO 0.52 -0.06 0.05 0.08 -0.92 0.00 0.00 175.35 175.02 2e5h s VAL 39 N -0.14 4.62 -0.04 3.17 1.01 -1.26 -1.75 120.40 126.01 2e5h s VAL 39 Ca -0.03 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.93 2e5h s VAL 39 Cb -0.03 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2e5h s VAL 39 CO 0.01 0.46 -0.25 -0.89 0.00 0.00 0.00 175.10 174.43 2e5h s THR 40 N 0.42 2.02 -0.01 3.92 2.01 0.87 -4.99 115.64 119.87 2e5h s THR 40 Ca 0.02 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.97 2e5h s THR 40 Cb -0.13 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.69 2e5h s THR 40 CO 0.01 0.57 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 2e5h s ILE 41 N -0.41 0.72 0.68 1.82 1.01 -1.26 0.10 121.20 123.86 2e5h s ILE 41 Ca 0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 2e5h s ILE 41 Cb -0.11 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 2e5h s ILE 41 CO 0.01 0.21 1.06 -0.04 0.00 0.00 0.00 174.94 176.19 2e5h s MET 42 N -0.06 3.10 -0.20 2.79 -1.94 -0.50 -4.92 119.30 117.57 2e5h s MET 42 Ca 0.01 0.66 -0.08 0.00 -1.71 0.00 0.00 55.69 54.58 2e5h s MET 42 Cb -0.05 -2.03 0.08 0.00 2.01 0.00 0.00 34.83 34.84 2e5h s MET 42 CO -0.00 -0.91 0.43 0.15 -0.01 0.00 0.00 175.02 174.68 2e5h s LYS 43 N -5.22 0.36 1.26 2.03 1.02 -1.26 -4.04 119.74 113.89 2e5h s LYS 43 Ca 0.57 0.99 -0.21 0.00 0.02 0.00 0.00 55.97 57.34 2e5h s LYS 43 Cb -0.12 0.26 0.33 0.00 -0.52 0.00 0.00 37.83 37.77 2e5h s LYS 43 CO 0.53 -0.22 0.76 -3.47 -0.92 0.00 0.00 175.35 172.03 2e5h n ASP 44 N 5.08 -3.78 -0.00 2.83 2.03 -1.07 -4.89 116.55 116.75 2e5h n ASP 44 Ca -0.13 -0.78 0.02 0.00 0.52 0.00 0.00 54.79 54.43 2e5h n ASP 44 Cb 0.51 -0.86 -0.03 0.00 -0.72 0.00 0.00 41.12 40.02 2e5h n ASP 44 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2e5h n LYS 45 N -5.25 5.28 -0.05 -0.67 0.00 -1.26 -4.10 118.16 112.11 2e5h n LYS 45 Ca 0.12 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.36 2e5h n LYS 45 Cb 0.52 -0.73 -0.02 0.00 -0.00 0.00 0.00 35.03 34.79 2e5h n LYS 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2e5h n ASP 46 N -1.13 1.66 0.13 -5.58 -0.08 -1.26 -4.70 116.55 105.60 2e5h n ASP 46 Ca 0.01 0.27 0.12 0.00 -1.51 0.00 0.00 54.79 53.67 2e5h n ASP 46 Cb 0.08 -0.61 0.11 0.00 2.34 0.00 0.00 41.12 43.03 2e5h n ASP 46 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2e5h h THR 47 N -0.68 0.00 -6.00 5.18 1.35 -2.00 -3.48 112.91 107.28 2e5h h THR 47 Ca -0.02 -0.87 -0.41 0.00 -0.55 0.00 0.00 66.41 64.55 2e5h h THR 47 Cb 0.72 1.57 0.07 0.00 -1.73 0.00 0.00 68.15 68.78 2e5h h THR 47 CO -0.01 0.00 -0.78 0.54 -0.25 0.00 0.00 175.52 175.02 2e5h n ARG 48 N -2.67 -5.88 -4.40 4.72 1.74 -1.26 -4.98 116.66 103.93 2e5h n ARG 48 Ca 0.02 0.70 -0.28 0.00 -0.77 0.00 0.00 57.85 57.52 2e5h n ARG 48 Cb 0.52 -5.50 -0.12 0.00 -1.02 0.00 0.00 32.46 26.33 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 -6.03 1.44 0.20 5.56 -0.14 -1.26 -4.77 119.74 114.74 2e5h s LYS 49 Ca 0.23 -1.42 -0.10 0.00 -1.36 0.00 0.00 55.97 53.32 2e5h s LYS 49 Cb -0.11 -1.86 0.14 0.00 -1.68 0.00 0.00 37.83 34.32 2e5h s LYS 49 CO 0.79 0.42 1.82 1.03 -0.76 0.00 0.00 175.35 178.65 2e5h h SER 50 N 3.59 0.92 -1.62 2.83 0.87 -1.93 -2.84 113.55 115.37 2e5h h SER 50 Ca -0.49 -0.10 -0.34 0.00 -1.23 0.00 0.00 61.79 59.63 2e5h h SER 50 Cb 1.19 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.84 2e5h h SER 50 CO 0.43 0.75 -0.38 0.29 -0.53 0.00 0.00 176.83 177.39 2e5h n LYS 51 N -4.47 -1.27 0.00 2.24 5.02 -1.26 -2.75 118.16 115.67 2e5h n LYS 51 Ca 0.06 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2e5h n LYS 51 Cb 0.09 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 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 -0.96 1.21 3.48 0.72 0.00 -1.25 -4.50 105.19 103.89 2e5h n GLY 52 Ca -0.19 -0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.35 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 0.20 -3.87 1.61 0.31 -1.11 -3.30 118.33 112.16 2e5h n VAL 53 Ca 0.00 -0.31 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 2e5h n VAL 53 Cb 0.00 -1.83 -0.11 0.00 -0.91 0.00 0.00 33.84 30.98 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 7.75 -0.23 -0.20 3.52 0.00 0.50 -1.41 121.76 131.68 2e5h s ALA 54 Ca 1.08 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 2e5h s ALA 54 Cb -0.74 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 2e5h s ALA 54 CO 0.46 -0.14 -0.05 -0.06 0.00 0.00 0.00 175.76 175.97 2e5h s PHE 55 N -0.82 2.95 -0.25 0.00 0.40 0.28 -1.04 117.98 119.51 2e5h s PHE 55 Ca -0.09 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.30 2e5h s PHE 55 Cb -0.05 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.37 2e5h s PHE 55 CO 0.01 -0.46 0.15 0.42 0.70 0.00 0.00 175.22 176.04 2e5h s ILE 56 N 1.24 5.21 -0.29 0.64 -1.09 -0.89 -0.09 121.20 125.93 2e5h s ILE 56 Ca 0.03 0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.42 2e5h s ILE 56 Cb -0.14 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2e5h s ILE 56 CO -0.02 0.32 0.43 -0.22 -1.23 0.00 0.00 174.94 174.23 2e5h s LEU 57 N 1.29 4.12 0.20 2.97 0.20 -0.72 0.17 118.68 126.91 2e5h s LEU 57 Ca 0.07 0.26 0.04 0.00 0.69 0.00 0.00 54.13 55.19 2e5h s LEU 57 Cb -0.14 -2.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.07 2e5h s LEU 57 CO 0.06 -0.27 0.32 -0.36 -0.29 0.00 0.00 176.35 175.81 2e5h s PHE 58 N 2.19 3.46 0.06 5.38 0.40 -1.23 -2.10 117.98 126.14 2e5h s PHE 58 Ca 0.17 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.29 2e5h s PHE 58 Cb -0.16 -1.61 -0.17 0.00 0.51 0.00 0.00 43.02 41.60 2e5h s PHE 58 CO 0.10 0.48 1.60 1.25 0.70 0.00 0.00 175.22 179.35 2e5h h LEU 59 N 1.62 -0.14 -8.49 -0.37 5.85 -1.84 -3.44 115.31 108.51 2e5h h LEU 59 Ca -0.50 -0.09 -0.68 0.00 0.84 0.00 0.00 57.88 57.45 2e5h h LEU 59 Cb 1.21 0.04 -0.31 0.00 0.37 0.00 0.00 40.66 41.97 2e5h h LEU 59 CO 0.64 0.00 -0.88 -0.62 -0.34 0.00 0.00 178.44 177.25 2e5h s ASP 60 N -5.15 2.96 0.51 1.25 2.15 -1.26 -5.01 116.67 112.12 2e5h s ASP 60 Ca -0.14 -0.48 0.22 0.00 0.43 0.00 0.00 52.55 52.57 2e5h s ASP 60 Cb 0.05 -0.66 1.32 0.00 -0.30 0.00 0.00 42.92 43.32 2e5h s ASP 60 CO 0.65 0.26 2.02 0.07 -0.17 0.00 0.00 175.17 177.99 2e5h h LYS 61 N 5.91 0.06 0.41 4.34 2.10 -1.88 -2.69 116.57 124.82 2e5h h LYS 61 Ca -0.35 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 2e5h h LYS 61 Cb 1.16 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2e5h h LYS 61 CO 0.47 0.04 -0.34 0.22 -2.00 0.00 0.00 179.45 177.84 2e5h h ASP 62 N 0.06 -0.91 -0.67 7.07 3.58 -1.96 -2.34 116.42 121.24 2e5h h ASP 62 Ca 0.21 0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.85 2e5h h ASP 62 Cb 0.76 0.29 -0.09 0.00 1.72 0.00 0.00 39.33 42.01 2e5h h ASP 62 CO -0.01 -0.48 0.22 0.28 -2.88 0.00 0.00 179.24 176.37 2e5h h SER 63 N -0.73 0.15 -0.28 2.28 0.02 -1.86 -2.55 113.55 110.58 2e5h h SER 63 Ca -0.05 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2e5h h SER 63 Cb 0.62 0.12 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 2e5h h SER 63 CO -0.00 0.06 -0.45 0.00 -1.14 0.00 0.00 176.83 175.30 2e5h h ALA 64 N 1.51 -0.72 -0.96 3.77 0.00 -1.28 -1.62 119.26 119.96 2e5h h ALA 64 Ca 0.36 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.41 2e5h h ALA 64 Cb 0.54 1.02 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 2e5h h ALA 64 CO -0.40 -0.93 -0.37 1.04 0.00 0.00 0.00 179.25 178.60 2e5h n GLN 65 N -4.87 -0.22 -0.28 0.00 1.13 -0.90 -0.25 117.38 112.00 2e5h n GLN 65 Ca -0.03 1.48 -0.06 0.00 -1.94 0.00 0.00 57.00 56.45 2e5h n GLN 65 Cb 0.28 -2.20 -0.01 0.00 0.11 0.00 0.00 30.24 28.42 2e5h n GLN 65 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2e5h h ASN 66 N 0.00 -1.47 -0.90 1.08 -0.73 -1.27 0.25 115.58 112.54 2e5h h ASN 66 Ca 0.34 0.27 0.00 0.00 1.87 0.00 0.00 56.30 58.78 2e5h h ASN 66 Cb 0.58 0.71 -0.04 0.00 0.27 0.00 0.00 38.32 39.84 2e5h h ASN 66 CO -0.96 -0.31 0.58 0.00 -0.37 0.00 0.00 177.43 176.37 2e5h n THR 68 N -4.44 1.11 -0.04 0.00 -1.04 0.82 -1.20 114.28 109.48 2e5h n THR 68 Ca 0.10 0.65 -0.04 0.00 -2.04 0.00 0.00 64.05 62.72 2e5h n THR 68 Cb 0.03 -1.65 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 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 -1.87 2.35 -0.04 -2.82 0.63 -0.39 -3.75 116.66 110.77 2e5h n ARG 69 Ca -0.01 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2e5h n ARG 69 Cb 0.15 -1.21 -0.06 0.00 0.45 0.00 0.00 32.46 31.79 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 0.35 0.16 0.00 5.13 0.00 0.40 -3.24 119.26 122.07 2e5h h ALA 70 Ca -0.22 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2e5h h ALA 70 Cb 1.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2e5h h ALA 70 CO 0.01 -0.16 -1.40 -0.84 0.00 0.00 0.00 179.25 176.86 2e5h h ILE 71 N -0.04 1.14 -2.22 0.00 3.07 -1.53 -3.45 117.51 114.47 2e5h h ILE 71 Ca 0.04 -2.91 -0.59 0.00 1.55 0.00 0.00 64.86 62.95 2e5h h ILE 71 Cb 0.34 2.55 0.05 0.00 -0.27 0.00 0.00 36.82 39.49 2e5h h ILE 71 CO 0.00 0.65 0.90 -3.20 -1.05 0.00 0.00 178.15 175.46 2e5h n ASN 72 N -3.15 3.26 -2.67 2.16 2.85 -1.23 -1.96 115.26 114.53 2e5h n ASN 72 Ca -0.10 1.05 -0.13 0.00 -0.11 0.00 0.00 54.58 55.29 2e5h n ASN 72 Cb 0.99 -1.42 0.06 0.00 1.24 0.00 0.00 39.78 40.65 2e5h n ASN 72 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2e5h n ASN 73 N 4.45 -2.98 -3.80 1.20 5.15 -1.24 -4.87 115.26 113.17 2e5h n ASN 73 Ca 0.19 -0.41 -0.12 0.00 -0.60 0.00 0.00 54.58 53.64 2e5h n ASN 73 Cb 0.30 -3.68 -0.08 0.00 -0.53 0.00 0.00 39.78 35.78 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2e5h s LYS 74 N -5.25 0.68 -0.30 1.20 -0.14 -0.83 -5.07 119.74 110.04 2e5h s LYS 74 Ca 0.13 -0.41 -0.15 0.00 -1.36 0.00 0.00 55.97 54.18 2e5h s LYS 74 Cb -0.06 0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 36.36 2e5h s LYS 74 CO 0.50 -0.19 0.39 -0.65 -0.76 0.00 0.00 175.35 174.64 2e5h s GLN 75 N -1.93 3.86 -0.06 1.68 -0.21 -1.26 -1.96 119.66 119.77 2e5h s GLN 75 Ca -0.10 -0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.22 2e5h s GLN 75 Cb -0.04 -3.71 0.01 0.00 1.00 0.00 0.00 33.01 30.27 2e5h s GLN 75 CO 0.00 -0.38 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.14 2e5h s LEU 76 N 2.10 1.76 -1.51 2.90 1.02 -1.08 -4.74 118.68 119.13 2e5h s LEU 76 Ca 0.15 -0.32 -0.05 0.00 0.02 0.00 0.00 54.13 53.92 2e5h s LEU 76 Cb -0.16 -0.89 0.02 0.00 0.02 0.00 0.00 46.19 45.18 2e5h s LEU 76 CO 0.11 0.08 0.52 0.49 0.02 0.00 0.00 176.35 177.56 2e5h n PHE 77 N 3.58 -1.85 -3.20 0.29 3.01 -1.26 -2.32 117.46 115.71 2e5h n PHE 77 Ca -0.21 0.46 -0.14 0.00 1.01 0.00 0.00 57.45 58.56 2e5h n PHE 77 Cb 0.52 -4.11 0.08 0.00 -0.01 0.00 0.00 39.48 35.96 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 -1.40 -0.34 3.26 1.37 0.00 -1.26 -4.96 105.19 101.86 2e5h n GLY 78 Ca -0.11 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.17 -0.44 1.61 1.70 -0.98 -5.11 118.95 110.87 2e5h s ARG 79 Ca 0.06 0.40 -0.30 0.00 -0.47 0.00 0.00 55.73 55.41 2e5h s ARG 79 Cb -0.01 0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 2e5h s ARG 79 CO 0.63 -0.09 2.33 0.28 -1.08 0.00 0.00 175.30 177.37 2e5h n VAL 80 N 4.96 0.12 -3.20 4.99 0.31 -1.26 -2.62 118.33 121.63 2e5h n VAL 80 Ca -0.08 -0.45 -0.39 0.00 -0.01 0.00 0.00 64.34 63.41 2e5h n VAL 80 Cb 0.54 -2.11 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 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 9.33 5.08 -0.18 2.52 1.01 -0.83 -4.63 121.20 133.50 2e5h s ILE 81 Ca 1.07 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 62.73 2e5h s ILE 81 Cb -0.56 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 2e5h s ILE 81 CO 0.38 0.18 0.03 -0.54 0.00 0.00 0.00 174.94 174.99 2e5h s LYS 82 N 1.52 3.82 0.03 2.79 3.01 -1.16 -3.69 119.74 126.06 2e5h s LYS 82 Ca 0.27 -0.43 0.08 0.00 -1.01 0.00 0.00 55.97 54.88 2e5h s LYS 82 Cb -0.16 -3.12 -0.03 0.00 -1.01 0.00 0.00 37.83 33.51 2e5h s LYS 82 CO 0.11 0.20 -0.22 0.00 0.51 0.00 0.00 175.35 175.94 2e5h s ALA 83 N 0.54 2.41 -0.27 5.17 0.00 -1.26 -1.24 121.76 127.12 2e5h s ALA 83 Ca 0.01 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.53 2e5h s ALA 83 Cb -0.13 -0.62 0.07 0.00 0.00 0.00 0.00 23.12 22.44 2e5h s ALA 83 CO 0.02 0.55 0.70 -1.54 0.00 0.00 0.00 175.76 175.49 2e5h s SER 84 N -1.23 -0.77 -0.40 0.00 1.04 -0.47 -4.82 113.70 107.06 2e5h s SER 84 Ca 0.13 1.44 -0.28 0.00 0.48 0.00 0.00 55.95 57.71 2e5h s SER 84 Cb -0.10 1.43 -0.02 0.00 0.10 0.00 0.00 66.02 67.43 2e5h s SER 84 CO 0.03 -0.24 1.82 -0.63 0.98 0.00 0.00 173.24 175.20 2e5h s ILE 85 N 0.59 3.44 -0.31 -1.02 -1.09 -1.26 -0.84 121.20 120.71 2e5h s ILE 85 Ca -0.02 0.42 -0.28 0.00 -2.23 0.00 0.00 60.65 58.54 2e5h s ILE 85 Cb -0.05 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2e5h s ILE 85 CO -0.03 -0.51 1.99 0.00 -1.23 0.00 0.00 174.94 175.16 2e5h s ALA 86 N 7.51 2.71 0.00 9.38 0.00 -1.26 -4.93 121.76 135.18 2e5h s ALA 86 Ca 0.77 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2e5h s ALA 86 Cb -0.20 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.85 2e5h s ALA 86 CO 0.30 -2.86 0.05 0.44 0.00 0.00 0.00 175.76 173.70