#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 1.52 -4.78 1.61 3.41 -1.26 -5.03 113.62 109.10 2e5h n SER -5 Ca 0.00 0.01 -0.39 0.00 -0.26 0.00 0.00 58.87 58.23 2e5h n SER -5 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 2e5h n SER -5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e5h s SER -4 N -4.86 7.28 0.30 4.04 1.04 -1.26 -5.06 113.70 115.17 2e5h s SER -4 Ca -0.03 1.51 -0.09 0.00 0.48 0.00 0.00 55.95 57.82 2e5h s SER -4 Cb 0.01 -2.46 -0.07 0.00 0.10 0.00 0.00 66.02 63.61 2e5h s SER -4 CO 0.05 0.18 0.63 -0.83 0.98 0.00 0.00 173.24 174.25 2e5h s GLY -3 N -0.90 2.06 0.00 7.32 0.00 -1.26 -4.97 107.32 109.58 2e5h s GLY -3 Ca 0.35 -0.31 0.30 0.00 0.00 0.00 0.00 44.72 45.05 2e5h s GLY -3 CO 0.24 -0.16 2.05 -1.14 0.00 0.00 0.00 173.10 174.08 2e5h n SER -2 N -0.71 0.00 -3.65 1.64 3.41 -1.26 -4.76 113.62 108.29 2e5h n SER -2 Ca 0.01 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.37 2e5h n SER -2 Cb 0.53 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 2e5h n SER -2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e5h s SER -1 N -2.56 -0.83 0.00 4.04 0.15 -1.26 -5.12 113.70 108.11 2e5h s SER -1 Ca 0.28 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2e5h s SER -1 Cb 0.20 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2e5h s SER -1 CO 0.45 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2e5h n GLY 0 N 3.82 2.75 0.08 9.45 0.00 -1.26 -5.03 105.19 114.99 2e5h n GLY 0 Ca -0.18 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 2e5h n GLY 0 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2e5h h MET 1 N 0.00 -0.04 -6.59 1.61 1.85 -2.00 -3.45 114.93 106.31 2e5h h MET 1 Ca 0.00 0.00 -0.57 0.00 -0.61 0.00 0.00 59.70 58.52 2e5h h MET 1 Cb 0.00 0.01 0.07 0.00 0.43 0.00 0.00 31.60 32.11 2e5h h MET 1 CO 0.00 0.65 0.72 -1.13 -0.40 0.00 0.00 176.91 176.76 2e5h n SER 2 N -4.75 3.05 0.00 1.39 3.41 -1.26 -4.95 113.62 110.50 2e5h n SER 2 Ca -0.09 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2e5h n SER 2 Cb 0.35 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 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 2.65 0.45 0.00 5.00 0.00 -1.26 -5.10 105.19 106.93 2e5h n GLY 3 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 4.43 4.71 0.12 -0.02 0.00 -1.26 -5.09 105.19 108.07 2e5h n GLY 4 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 2e5h n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2e5h n LEU 5 N 0.00 1.94 -4.28 0.99 0.00 -1.26 -4.98 117.00 109.41 2e5h n LEU 5 Ca 0.00 0.36 -0.54 0.00 0.00 0.00 0.00 56.01 55.83 2e5h n LEU 5 Cb 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 43.42 42.55 2e5h n LEU 5 CO 0.00 0.20 0.43 0.00 0.00 0.00 0.00 177.39 178.01 2e5h n ALA 6 N -4.22 -3.37 -2.18 1.96 0.00 -1.26 -4.83 120.51 106.61 2e5h n ALA 6 Ca -0.36 0.54 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2e5h n ALA 6 Cb 0.71 -1.65 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.20 4.34 0.53 0.00 0.04 -1.26 -5.03 135.00 133.42 2e5h s PRO 7 Ca 0.82 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.86 2e5h s PRO 7 Cb -1.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2e5h s PRO 7 CO 0.54 -0.39 0.80 -1.12 0.04 0.00 0.00 177.00 176.87 2e5h s SER 8 N 1.00 5.73 0.16 6.66 0.01 -1.26 -4.30 113.70 121.71 2e5h s SER 8 Ca 0.63 0.55 -0.16 0.00 1.31 0.00 0.00 55.95 58.28 2e5h s SER 8 Cb -0.36 -1.66 0.07 0.00 0.21 0.00 0.00 66.02 64.27 2e5h s SER 8 CO 0.31 -0.89 1.77 0.50 0.41 0.00 0.00 173.24 175.34 2e5h h LYS 9 N 0.09 0.35 -0.90 12.44 3.64 -1.91 -2.64 116.57 127.64 2e5h h LYS 9 Ca -0.46 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.08 2e5h h LYS 9 Cb 1.25 -0.08 -0.17 0.00 -0.41 0.00 0.00 32.23 32.82 2e5h h LYS 9 CO 0.59 0.23 -0.24 0.66 -2.27 0.00 0.00 179.45 178.43 2e5h h SER 10 N 0.36 -0.88 -2.29 4.20 4.64 -1.89 -3.40 113.55 114.29 2e5h h SER 10 Ca 0.17 0.27 -0.56 0.00 -0.47 0.00 0.00 61.79 61.20 2e5h h SER 10 Cb 0.11 0.57 0.22 0.00 -0.31 0.00 0.00 62.40 62.99 2e5h h SER 10 CO -0.14 -0.30 -1.41 0.41 -0.87 0.00 0.00 176.83 174.52 2e5h n THR 11 N -5.57 0.18 -3.70 2.95 -1.04 -0.99 -4.03 114.28 102.08 2e5h n THR 11 Ca 0.13 -0.45 -0.28 0.00 -2.04 0.00 0.00 64.05 61.41 2e5h n THR 11 Cb 0.45 -0.15 -0.16 0.00 -1.82 0.00 0.00 70.33 68.65 2e5h n THR 11 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2e5h s VAL 12 N -2.04 0.43 -0.38 12.58 1.01 0.23 -3.51 120.40 128.71 2e5h s VAL 12 Ca 0.48 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 2e5h s VAL 12 Cb -0.27 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 2e5h s VAL 12 CO 0.75 -0.31 1.79 -0.47 0.00 0.00 0.00 175.10 176.86 2e5h s TYR 13 N 1.89 1.82 -0.19 5.22 6.14 0.36 -2.12 117.35 130.47 2e5h s TYR 13 Ca 0.01 0.67 0.01 0.00 0.64 0.00 0.00 57.07 58.40 2e5h s TYR 13 Cb -0.17 -4.13 0.02 0.00 0.42 0.00 0.00 41.96 38.11 2e5h s TYR 13 CO -0.12 -2.76 -0.19 0.08 0.64 0.00 0.00 175.55 173.20 2e5h s VAL 14 N 7.20 2.09 0.45 3.14 1.01 -0.69 -1.13 120.40 132.46 2e5h s VAL 14 Ca 0.76 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.80 2e5h s VAL 14 Cb -0.20 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2e5h s VAL 14 CO 0.31 0.48 0.21 -0.94 0.00 0.00 0.00 175.10 175.16 2e5h s SER 15 N 1.27 4.45 -1.54 3.32 1.04 -0.69 -0.79 113.70 120.77 2e5h s SER 15 Ca 0.04 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.28 2e5h s SER 15 Cb -0.14 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2e5h s SER 15 CO -0.12 -0.67 0.34 0.59 0.98 0.00 0.00 173.24 174.36 2e5h n ASN 16 N -1.34 -5.75 -4.83 7.02 4.13 -1.26 -2.97 115.26 110.26 2e5h n ASN 16 Ca -0.03 -0.17 -0.37 0.00 1.68 0.00 0.00 54.58 55.70 2e5h n ASN 16 Cb 0.65 -4.65 -0.06 0.00 -1.54 0.00 0.00 39.78 34.18 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 -5.99 4.41 -1.17 3.41 1.43 -1.23 -4.55 118.68 114.99 2e5h s LEU 17 Ca 0.17 1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 54.20 2e5h s LEU 17 Cb -0.08 -3.14 -0.09 0.00 0.03 0.00 0.00 46.19 42.92 2e5h s LEU 17 CO 0.21 0.16 1.94 -2.16 0.23 0.00 0.00 176.35 176.73 2e5h s PRO 18 N -1.64 2.48 0.59 1.29 0.04 -1.26 -3.81 135.00 132.69 2e5h s PRO 18 Ca 0.35 -1.11 0.37 0.00 0.04 0.00 0.00 61.00 60.64 2e5h s PRO 18 Cb -0.17 -5.23 1.30 0.00 0.04 0.00 0.00 34.50 30.44 2e5h s PRO 18 CO 0.19 -3.97 1.45 0.27 0.04 0.00 0.00 177.00 174.98 2e5h h PHE 19 N 9.83 0.00 -1.64 0.56 -0.00 -1.93 0.18 116.94 123.94 2e5h h PHE 19 Ca 0.21 0.00 0.49 0.00 -0.00 0.00 0.00 57.97 58.66 2e5h h PHE 19 Cb 0.94 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 36.81 2e5h h PHE 19 CO 1.21 0.00 1.15 1.03 -0.00 0.00 0.00 178.31 181.70 2e5h h SER 20 N 0.00 0.07 -3.65 -0.68 0.87 -2.04 -3.39 113.55 104.72 2e5h h SER 20 Ca 0.67 0.04 -0.40 0.00 -1.23 0.00 0.00 61.79 60.87 2e5h h SER 20 Cb 3.21 0.03 0.17 0.00 -0.44 0.00 0.00 62.40 65.36 2e5h h SER 20 CO -0.01 -0.04 0.35 0.18 -0.53 0.00 0.00 176.83 176.78 2e5h n LEU 21 N -4.18 0.00 -4.35 2.23 4.77 0.62 -5.10 117.00 110.98 2e5h n LEU 21 Ca 0.38 -1.32 -0.19 0.00 -0.03 0.00 0.00 56.01 54.85 2e5h n LEU 21 Cb 1.70 -0.95 -0.10 0.00 -2.33 0.00 0.00 43.42 41.74 2e5h n LEU 21 CO 0.38 -1.48 -0.44 0.28 -1.33 0.00 0.00 177.39 174.80 2e5h s THR 22 N -3.60 1.76 0.29 -5.08 -1.32 -1.26 -4.99 115.64 101.44 2e5h s THR 22 Ca 0.70 -2.22 0.07 0.00 -1.21 0.00 0.00 61.69 59.03 2e5h s THR 22 Cb -0.02 -2.06 0.35 0.00 -1.51 0.00 0.00 72.50 69.25 2e5h s THR 22 CO 0.50 -0.58 1.38 -0.46 -2.21 0.00 0.00 174.62 173.24 2e5h n ASN 23 N -0.39 0.03 0.04 8.08 0.23 -1.26 0.10 115.26 122.08 2e5h n ASN 23 Ca -0.08 1.48 -0.11 0.00 -0.53 0.00 0.00 54.58 55.34 2e5h n ASN 23 Cb 0.60 -0.60 -0.06 0.00 -2.08 0.00 0.00 39.78 37.65 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 -0.15 -0.02 0.53 -1.24 -1.98 -1.01 115.58 111.71 2e5h h ASN 24 Ca 0.60 0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.67 2e5h h ASN 24 Cb 1.37 0.07 -0.06 0.00 0.73 0.00 0.00 38.32 40.44 2e5h h ASN 24 CO -0.78 -0.07 -0.44 0.44 -1.29 0.00 0.00 177.43 175.28 2e5h h ASP 25 N -0.08 -1.36 -0.10 1.15 5.19 0.28 -2.49 116.42 119.01 2e5h h ASP 25 Ca 0.03 0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 2e5h h ASP 25 Cb 0.12 0.53 -0.05 0.00 0.18 0.00 0.00 39.33 40.11 2e5h h ASP 25 CO -0.07 -0.47 -0.23 -0.07 -3.12 0.00 0.00 179.24 175.28 2e5h h LEU 26 N -0.59 -0.71 -0.97 1.55 3.38 -1.31 0.31 115.31 116.98 2e5h h LEU 26 Ca 0.04 0.11 0.39 0.00 0.09 0.00 0.00 57.88 58.52 2e5h h LEU 26 Cb 0.67 0.31 -0.18 0.00 0.09 0.00 0.00 40.66 41.55 2e5h h LEU 26 CO -0.34 -0.29 0.48 0.00 0.09 0.00 0.00 178.44 178.38 2e5h n TYR 27 N -5.36 1.09 0.01 1.13 4.19 -0.39 0.15 117.16 117.97 2e5h n TYR 27 Ca -0.03 1.15 -0.20 0.00 3.31 0.00 0.00 57.90 62.13 2e5h n TYR 27 Cb 0.27 -1.52 -0.14 0.00 0.49 0.00 0.00 39.34 38.45 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 0.22 -0.37 2.98 3.08 -0.96 -2.40 114.38 116.93 2e5h h ARG 28 Ca 0.80 -0.38 0.11 0.00 0.07 0.00 0.00 59.98 60.58 2e5h h ARG 28 Cb 2.09 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 32.27 2e5h h ARG 28 CO -0.76 1.18 0.30 0.82 -1.07 0.00 0.00 179.97 180.44 2e5h h ILE 29 N -0.49 0.65 -0.01 2.04 2.04 0.18 0.23 117.51 122.15 2e5h h ILE 29 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2e5h h ILE 29 Cb 1.55 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2e5h h ILE 29 CO 0.08 0.00 -0.78 0.49 0.00 0.00 0.00 178.15 177.95 2e5h n PHE 30 N -4.16 0.00 0.15 1.37 3.72 0.12 -4.18 117.46 114.47 2e5h n PHE 30 Ca 0.06 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.48 2e5h n PHE 30 Cb 0.48 -0.02 0.13 0.00 -0.94 0.00 0.00 39.48 39.14 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 0.84 0.00 0.00 4.37 0.87 0.01 -2.99 113.55 116.65 2e5h h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2e5h h SER 31 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2e5h h SER 31 CO 0.00 0.53 0.10 0.07 -0.53 0.00 0.00 176.83 177.00 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.68 -2.46 116.57 116.77 2e5h h LYS 32 Ca -0.01 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 2e5h h LYS 32 Cb 1.24 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.51 2e5h h LYS 32 CO 0.07 0.00 -2.10 0.66 -2.00 0.00 0.00 179.45 176.08 2e5h n TYR 33 N -2.67 0.00 -3.58 0.07 4.01 -1.17 -5.07 117.16 108.75 2e5h n TYR 33 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 2e5h n TYR 33 Cb 0.15 -0.74 -0.06 0.00 -0.31 0.00 0.00 39.34 38.38 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 -5.80 -0.31 0.14 2.72 0.00 -0.93 -4.88 107.32 98.26 2e5h s GLY 34 Ca -0.26 2.00 -0.35 0.00 0.00 0.00 0.00 44.72 46.11 2e5h s GLY 34 CO 0.43 1.15 1.45 1.17 0.00 0.00 0.00 173.10 177.30 2e5h n LYS 35 N 1.02 1.68 -3.91 2.90 4.81 -1.26 -4.00 118.16 119.41 2e5h n LYS 35 Ca -0.12 0.61 -0.35 0.00 -0.87 0.00 0.00 58.31 57.58 2e5h n LYS 35 Cb 0.57 -2.30 -0.05 0.00 0.02 0.00 0.00 35.03 33.27 2e5h n LYS 35 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2e5h s VAL 36 N 0.61 5.42 -0.20 3.15 1.01 -1.26 -2.57 120.40 126.57 2e5h s VAL 36 Ca 0.80 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 2e5h s VAL 36 Cb -0.80 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 2e5h s VAL 36 CO 0.43 0.44 -0.22 0.52 0.00 0.00 0.00 175.10 176.27 2e5h n VAL 37 N 1.34 1.10 -3.92 2.92 0.31 -0.92 -4.90 118.33 114.26 2e5h n VAL 37 Ca -0.14 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 2e5h n VAL 37 Cb 0.53 -1.51 -0.11 0.00 -0.91 0.00 0.00 33.84 31.85 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 -2.37 0.36 -0.58 5.55 1.02 -1.23 -5.06 119.74 117.42 2e5h s LYS 38 Ca -0.27 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.31 2e5h s LYS 38 Cb 0.09 0.14 0.15 0.00 -0.52 0.00 0.00 37.83 37.69 2e5h s LYS 38 CO 0.39 -0.07 0.36 0.08 -0.92 0.00 0.00 175.35 175.19 2e5h s VAL 39 N -1.23 3.07 0.27 3.17 1.01 -1.26 -1.52 120.40 123.90 2e5h s VAL 39 Ca -0.13 -3.28 -0.29 0.00 0.00 0.00 0.00 61.98 58.27 2e5h s VAL 39 Cb -0.08 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 2e5h s VAL 39 CO 0.00 -0.85 0.95 -0.89 0.00 0.00 0.00 175.10 174.31 2e5h s THR 40 N -0.33 4.08 -0.02 3.92 2.01 0.85 -4.95 115.64 121.20 2e5h s THR 40 Ca 0.18 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.16 2e5h s THR 40 Cb -0.22 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.09 2e5h s THR 40 CO -0.03 0.38 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.63 2e5h s ILE 41 N -1.31 0.30 0.56 1.82 1.01 -1.26 0.10 121.20 122.42 2e5h s ILE 41 Ca 0.44 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.86 2e5h s ILE 41 Cb -0.24 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 2e5h s ILE 41 CO 0.30 0.13 1.03 -0.04 0.00 0.00 0.00 174.94 176.35 2e5h s MET 42 N 0.42 3.57 -0.08 2.79 -1.94 -0.50 -4.92 119.30 118.64 2e5h s MET 42 Ca -0.04 1.08 -0.03 0.00 -1.71 0.00 0.00 55.69 54.99 2e5h s MET 42 Cb -0.07 -2.07 0.04 0.00 2.01 0.00 0.00 34.83 34.73 2e5h s MET 42 CO -0.01 -0.59 0.17 0.15 -0.01 0.00 0.00 175.02 174.74 2e5h s LYS 43 N -4.13 0.12 1.12 2.03 3.01 -1.26 -4.04 119.74 116.59 2e5h s LYS 43 Ca 0.61 0.42 -0.19 0.00 -1.01 0.00 0.00 55.97 55.81 2e5h s LYS 43 Cb -0.13 -0.17 0.28 0.00 -1.01 0.00 0.00 37.83 36.80 2e5h s LYS 43 CO 0.36 -0.17 1.01 -3.47 0.51 0.00 0.00 175.35 173.58 2e5h n ASP 44 N 4.26 -1.93 -0.13 2.83 2.03 -0.99 -4.89 116.55 117.73 2e5h n ASP 44 Ca -0.25 -1.12 -0.26 0.00 0.52 0.00 0.00 54.79 53.67 2e5h n ASP 44 Cb 0.52 -0.92 -0.10 0.00 -0.72 0.00 0.00 41.12 39.90 2e5h n ASP 44 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2e5h n LYS 45 N -4.52 0.56 -0.01 -0.67 5.02 -1.26 -3.88 118.16 113.40 2e5h n LYS 45 Ca 0.14 0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.65 2e5h n LYS 45 Cb 0.54 -1.43 -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 0.22 -0.52 0.00 0.00 177.40 177.10 2e5h h ASP 46 N -0.77 -0.04 -0.29 4.39 3.58 -2.01 -3.36 116.42 117.92 2e5h h ASP 46 Ca -0.64 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 56.77 2e5h h ASP 46 Cb 1.62 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.66 2e5h h ASP 46 CO -0.35 0.22 0.06 0.71 -2.88 0.00 0.00 179.24 177.01 2e5h h THR 47 N -0.54 1.19 -5.82 2.25 1.35 -2.00 -3.46 112.91 105.87 2e5h h THR 47 Ca -0.00 -0.69 -0.37 0.00 -0.55 0.00 0.00 66.41 64.79 2e5h h THR 47 Cb 0.03 0.84 0.13 0.00 -1.73 0.00 0.00 68.15 67.42 2e5h h THR 47 CO 0.01 0.25 -0.76 -1.14 -0.25 0.00 0.00 175.52 173.62 2e5h n ARG 48 N -4.31 -6.57 -4.44 4.72 3.00 -1.25 -4.97 116.66 102.84 2e5h n ARG 48 Ca 0.02 0.79 -0.21 0.00 -0.00 0.00 0.00 57.85 58.44 2e5h n ARG 48 Cb 0.21 -5.73 -0.10 0.00 0.00 0.00 0.00 32.46 26.84 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 -5.78 1.59 0.09 -0.14 -0.14 -1.26 -4.79 119.74 109.30 2e5h s LYS 49 Ca 0.18 -1.84 -0.18 0.00 -1.36 0.00 0.00 55.97 52.78 2e5h s LYS 49 Cb -0.08 -1.03 -0.08 0.00 -1.68 0.00 0.00 37.83 34.95 2e5h s LYS 49 CO 0.75 -0.06 1.48 1.03 -0.76 0.00 0.00 175.35 177.80 2e5h h SER 50 N 2.21 0.52 -1.25 2.83 0.87 -1.93 -2.63 113.55 114.16 2e5h h SER 50 Ca -0.40 -0.36 -0.27 0.00 -1.23 0.00 0.00 61.79 59.53 2e5h h SER 50 Cb 1.24 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.99 2e5h h SER 50 CO 0.69 0.76 -0.29 0.29 -0.53 0.00 0.00 176.83 177.75 2e5h n LYS 51 N -4.53 -0.99 0.00 2.24 5.02 -1.26 -3.13 118.16 115.51 2e5h n LYS 51 Ca -0.03 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2e5h n LYS 51 Cb 0.30 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 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 -1.19 0.92 3.52 0.72 0.00 -1.25 -4.53 105.19 103.39 2e5h n GLY 52 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 0.04 -4.17 1.61 0.31 -1.18 -3.57 118.33 111.37 2e5h n VAL 53 Ca 0.00 -0.47 -0.17 0.00 -0.01 0.00 0.00 64.34 63.68 2e5h n VAL 53 Cb 0.00 -2.03 -0.15 0.00 -0.91 0.00 0.00 33.84 30.75 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 9.99 0.52 -0.33 3.52 0.00 0.03 -1.41 121.76 134.09 2e5h s ALA 54 Ca 1.09 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 2e5h s ALA 54 Cb -0.58 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 2e5h s ALA 54 CO 0.37 0.08 0.18 -0.06 0.00 0.00 0.00 175.76 176.33 2e5h s PHE 55 N 0.21 3.20 -0.22 0.00 0.40 0.29 -1.71 117.98 120.16 2e5h s PHE 55 Ca -0.02 -0.58 -0.15 0.00 -0.60 0.00 0.00 56.93 55.58 2e5h s PHE 55 Cb -0.06 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 2e5h s PHE 55 CO -0.00 -0.47 0.36 0.42 0.70 0.00 0.00 175.22 176.22 2e5h s ILE 56 N 1.62 5.22 -0.26 0.64 -1.09 -0.90 -0.10 121.20 126.33 2e5h s ILE 56 Ca 0.04 0.60 -0.13 0.00 -2.23 0.00 0.00 60.65 58.93 2e5h s ILE 56 Cb -0.17 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2e5h s ILE 56 CO 0.07 0.25 0.29 -0.22 -1.23 0.00 0.00 174.94 174.11 2e5h s LEU 57 N 1.36 4.05 0.15 2.97 0.20 -0.58 0.75 118.68 127.58 2e5h s LEU 57 Ca 0.17 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.21 2e5h s LEU 57 Cb -0.15 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 2e5h s LEU 57 CO 0.08 -0.10 0.25 -0.36 -0.29 0.00 0.00 176.35 175.92 2e5h s PHE 58 N 1.78 3.41 0.04 5.38 0.40 -1.26 -2.18 117.98 125.56 2e5h s PHE 58 Ca 0.12 0.09 -0.27 0.00 -0.60 0.00 0.00 56.93 56.27 2e5h s PHE 58 Cb -0.15 -1.63 -0.17 0.00 0.51 0.00 0.00 43.02 41.57 2e5h s PHE 58 CO 0.09 0.52 1.47 1.25 0.70 0.00 0.00 175.22 179.26 2e5h h LEU 59 N 2.23 -0.34 -9.21 -0.37 5.85 -1.84 -3.44 115.31 108.19 2e5h h LEU 59 Ca -0.48 -0.10 -0.66 0.00 0.84 0.00 0.00 57.88 57.47 2e5h h LEU 59 Cb 1.19 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.15 2e5h h LEU 59 CO 0.67 -0.10 -0.76 -0.62 -0.34 0.00 0.00 178.44 177.29 2e5h s ASP 60 N -4.98 4.16 0.08 1.25 2.15 -1.26 -5.04 116.67 113.03 2e5h s ASP 60 Ca -0.15 -0.49 -0.20 0.00 0.43 0.00 0.00 52.55 52.13 2e5h s ASP 60 Cb 0.03 -0.70 -0.10 0.00 -0.30 0.00 0.00 42.92 41.86 2e5h s ASP 60 CO 0.60 0.16 1.56 0.50 -0.17 0.00 0.00 175.17 177.83 2e5h h LYS 61 N 3.52 0.30 -0.98 4.34 3.64 -1.91 -2.65 116.57 122.84 2e5h h LYS 61 Ca -0.49 -0.08 0.18 0.00 -1.27 0.00 0.00 60.65 59.00 2e5h h LYS 61 Cb 1.17 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.87 2e5h h LYS 61 CO 0.50 0.45 0.61 0.22 -2.27 0.00 0.00 179.45 178.96 2e5h h ASP 62 N 0.10 0.70 -0.51 4.20 3.58 -1.98 0.37 116.42 122.88 2e5h h ASP 62 Ca 0.06 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.46 2e5h h ASP 62 Cb 0.28 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2e5h h ASP 62 CO 0.00 0.28 -0.17 0.28 -2.88 0.00 0.00 179.24 176.75 2e5h h SER 63 N 0.70 1.04 0.53 2.28 0.02 -1.86 -3.18 113.55 113.06 2e5h h SER 63 Ca 0.54 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2e5h h SER 63 Cb 0.92 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.18 2e5h h SER 63 CO -0.30 1.17 -0.25 0.00 -1.14 0.00 0.00 176.83 176.31 2e5h h ALA 64 N 0.90 -1.00 -0.77 3.77 0.00 -0.63 -3.10 119.26 118.44 2e5h h ALA 64 Ca 0.13 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.15 2e5h h ALA 64 Cb 0.74 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 2e5h h ALA 64 CO 0.06 -0.95 0.21 1.04 0.00 0.00 0.00 179.25 179.61 2e5h n GLN 65 N -4.23 -0.05 0.16 0.00 1.13 -0.52 0.18 117.38 114.04 2e5h n GLN 65 Ca -0.09 1.11 -0.15 0.00 -1.94 0.00 0.00 57.00 55.93 2e5h n GLN 65 Cb 0.28 -1.87 -0.09 0.00 0.11 0.00 0.00 30.24 28.67 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 -1.34 -0.73 1.08 -1.24 -1.52 -1.53 115.58 110.30 2e5h h ASN 66 Ca 0.56 0.13 0.03 0.00 0.71 0.00 0.00 56.30 57.72 2e5h h ASN 66 Cb 1.33 0.47 -0.04 0.00 0.73 0.00 0.00 38.32 40.81 2e5h h ASN 66 CO -0.66 -0.53 0.47 0.00 -1.29 0.00 0.00 177.43 175.42 2e5h n THR 68 N -4.63 1.83 -0.02 0.00 -1.04 -0.24 -1.39 114.28 108.79 2e5h n THR 68 Ca 0.08 0.46 -0.00 0.00 -2.04 0.00 0.00 64.05 62.54 2e5h n THR 68 Cb 0.07 -1.44 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 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 -1.47 1.75 0.14 -2.82 0.00 -0.09 -4.03 116.66 110.14 2e5h n ARG 69 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.85 57.74 2e5h n ARG 69 Cb 0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 32.46 31.26 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 0.46 -0.44 -0.03 5.13 0.00 0.47 -3.34 119.26 121.52 2e5h h ALA 70 Ca -0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2e5h h ALA 70 Cb 0.93 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2e5h h ALA 70 CO 0.01 -0.42 -0.76 -0.84 0.00 0.00 0.00 179.25 177.23 2e5h h ILE 71 N -1.08 1.44 -1.22 0.00 3.07 -1.65 -3.45 117.51 114.61 2e5h h ILE 71 Ca -0.04 -2.33 -0.77 0.00 1.55 0.00 0.00 64.86 63.26 2e5h h ILE 71 Cb 0.40 2.26 0.04 0.00 -0.27 0.00 0.00 36.82 39.25 2e5h h ILE 71 CO 0.07 0.69 0.35 -3.20 -1.05 0.00 0.00 178.15 175.00 2e5h n ASN 72 N -3.76 0.84 -3.37 2.16 2.85 -1.26 -0.69 115.26 112.04 2e5h n ASN 72 Ca -0.03 1.15 -0.18 0.00 -0.11 0.00 0.00 54.58 55.40 2e5h n ASN 72 Cb 0.73 -1.00 0.08 0.00 1.24 0.00 0.00 39.78 40.83 2e5h n ASN 72 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2e5h n ASN 73 N 2.55 -3.31 -4.04 1.20 3.02 -1.21 -4.93 115.26 108.54 2e5h n ASN 73 Ca 0.22 -0.57 -0.09 0.00 -0.03 0.00 0.00 54.58 54.11 2e5h n ASN 73 Cb 0.09 -4.91 -0.11 0.00 -0.61 0.00 0.00 39.78 34.24 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 -5.59 0.47 -0.24 3.52 2.47 0.14 -5.04 119.74 115.46 2e5h s LYS 74 Ca 0.17 -0.86 -0.14 0.00 -1.56 0.00 0.00 55.97 53.58 2e5h s LYS 74 Cb -0.08 0.05 -0.04 0.00 -1.46 0.00 0.00 37.83 36.30 2e5h s LYS 74 CO 0.70 -0.05 0.31 -0.65 0.16 0.00 0.00 175.35 175.82 2e5h s GLN 75 N -2.36 4.09 0.01 4.03 -0.21 -1.26 -1.55 119.66 122.40 2e5h s GLN 75 Ca -0.06 -0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.34 2e5h s GLN 75 Cb -0.04 -3.58 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 2e5h s GLN 75 CO -0.04 -0.09 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.42 2e5h s LEU 76 N 1.48 2.09 -0.73 2.90 1.02 -1.18 -4.76 118.68 119.50 2e5h s LEU 76 Ca 0.14 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.98 2e5h s LEU 76 Cb -0.15 -0.53 0.00 0.00 0.02 0.00 0.00 46.19 45.53 2e5h s LEU 76 CO 0.08 0.07 0.00 0.49 0.02 0.00 0.00 176.35 177.01 2e5h n PHE 77 N 2.41 -1.14 -2.72 0.29 3.01 -1.26 -0.08 117.46 117.96 2e5h n PHE 77 Ca -0.16 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.23 2e5h n PHE 77 Cb 0.56 -2.00 0.03 0.00 -0.01 0.00 0.00 39.48 38.06 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 -0.42 0.28 3.15 1.37 0.00 -1.26 -5.02 105.19 103.29 2e5h n GLY 78 Ca -0.08 -0.30 0.05 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 -5.01 0.43 -0.33 1.61 1.70 0.88 -5.12 118.95 113.12 2e5h s ARG 79 Ca 0.11 0.75 -0.38 0.00 -0.47 0.00 0.00 55.73 55.74 2e5h s ARG 79 Cb -0.05 0.41 -0.14 0.00 -0.57 0.00 0.00 34.95 34.61 2e5h s ARG 79 CO 0.27 -0.47 2.02 0.28 -1.08 0.00 0.00 175.30 176.31 2e5h n VAL 80 N 5.45 0.23 -3.65 4.99 0.31 -1.26 -3.09 118.33 121.30 2e5h n VAL 80 Ca -0.03 -0.15 -0.36 0.00 -0.01 0.00 0.00 64.34 63.79 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 5.70 5.34 -0.17 2.52 1.01 -0.60 -4.63 121.20 130.37 2e5h s ILE 81 Ca 1.06 0.42 -0.06 0.00 0.00 0.00 0.00 60.65 62.08 2e5h s ILE 81 Cb -1.01 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2e5h s ILE 81 CO 0.57 0.47 0.03 -0.54 0.00 0.00 0.00 174.94 175.47 2e5h s LYS 82 N -0.03 3.83 -0.06 2.79 3.01 -1.16 -3.36 119.74 124.76 2e5h s LYS 82 Ca 0.15 -0.40 0.05 0.00 -1.01 0.00 0.00 55.97 54.76 2e5h s LYS 82 Cb -0.13 -3.10 -0.02 0.00 -1.01 0.00 0.00 37.83 33.58 2e5h s LYS 82 CO 0.03 0.30 -0.20 0.00 0.51 0.00 0.00 175.35 175.99 2e5h s ALA 83 N 0.27 2.38 -0.28 5.17 0.00 -1.26 -1.70 121.76 126.35 2e5h s ALA 83 Ca 0.01 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2e5h s ALA 83 Cb -0.13 -0.82 0.09 0.00 0.00 0.00 0.00 23.12 22.26 2e5h s ALA 83 CO 0.01 0.46 0.69 -1.54 0.00 0.00 0.00 175.76 175.37 2e5h s SER 84 N -0.34 -0.98 -0.22 0.00 1.04 -0.28 -4.86 113.70 108.07 2e5h s SER 84 Ca 0.02 1.52 -0.35 0.00 0.48 0.00 0.00 55.95 57.62 2e5h s SER 84 Cb -0.12 1.53 -0.12 0.00 0.10 0.00 0.00 66.02 67.40 2e5h s SER 84 CO 0.02 -0.24 1.97 -0.38 0.98 0.00 0.00 173.24 175.60 2e5h n ILE 85 N 4.49 0.40 -2.96 -1.02 2.08 -1.26 -0.49 119.36 120.59 2e5h n ILE 85 Ca -0.19 -0.17 -0.43 0.00 0.56 0.00 0.00 62.75 62.53 2e5h n ILE 85 Cb 0.57 -1.73 -0.05 0.00 -0.75 0.00 0.00 39.64 37.68 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 5.26 3.35 0.00 -1.39 0.00 -1.23 -4.81 121.76 122.95 2e5h s ALA 86 Ca 1.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2e5h s ALA 86 Cb -0.79 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 18.91 2e5h s ALA 86 CO 0.53 -1.72 0.45 0.44 0.00 0.00 0.00 175.76 175.46