#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 6.27 -0.09 1.61 1.04 -1.26 -5.03 113.70 116.24 2e5h s SER -5 Ca 0.00 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.76 2e5h s SER -5 Cb 0.00 -2.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.04 2e5h s SER -5 CO 0.00 0.31 0.11 0.28 0.98 0.00 0.00 173.24 174.91 2e5h h SER -4 N 5.73 -0.07 -4.04 7.02 0.02 -2.09 -3.51 113.55 116.61 2e5h h SER -4 Ca -0.49 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2e5h h SER -4 Cb 1.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2e5h h SER -4 CO 0.66 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.38 2e5h n GLY -3 N 1.56 1.00 2.85 -3.77 0.00 -1.26 -5.10 105.19 100.48 2e5h n GLY -3 Ca -0.01 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.67 0.75 0.14 1.61 0.01 -1.26 -5.15 113.70 108.14 2e5h s SER -2 Ca 0.00 0.33 -0.25 0.00 1.31 0.00 0.00 55.95 57.34 2e5h s SER -2 Cb 0.00 0.34 0.06 0.00 0.21 0.00 0.00 66.02 66.63 2e5h s SER -2 CO 0.00 -0.25 0.83 -0.44 0.41 0.00 0.00 173.24 173.79 2e5h s SER -1 N 2.31 -0.31 0.00 2.44 0.01 -1.26 -5.14 113.70 111.76 2e5h s SER -1 Ca 0.03 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2e5h s SER -1 Cb -0.12 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2e5h s SER -1 CO -0.07 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.25 2e5h n GLY 0 N -0.40 -1.48 3.86 3.44 0.00 -1.26 -4.97 105.19 104.38 2e5h n GLY 0 Ca -0.08 1.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.64 2e5h n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2e5h n MET 1 N 0.00 -0.85 -3.39 1.61 0.00 -1.26 -4.81 117.12 108.42 2e5h n MET 1 Ca 0.00 0.09 -0.40 0.00 0.00 0.00 0.00 57.70 57.39 2e5h n MET 1 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 33.22 29.92 2e5h n MET 1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2e5h n SER 2 N -1.87 5.12 0.00 3.17 2.88 -1.26 -4.69 113.62 116.97 2e5h n SER 2 Ca -0.04 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.33 2e5h n SER 2 Cb 0.42 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2e5h n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5h n GLY 3 N 2.16 -1.05 2.95 0.46 0.00 -1.26 -5.15 105.19 103.31 2e5h n GLY 3 Ca 0.24 0.36 -0.31 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 1.37 -0.09 -0.02 0.00 -1.26 -4.99 107.32 102.33 2e5h s GLY 4 Ca 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 2e5h s GLY 4 CO 0.00 0.94 -0.18 1.04 0.00 0.00 0.00 173.10 174.90 2e5h n LEU 5 N 4.62 1.06 -2.29 0.66 4.77 -1.26 -4.80 117.00 119.76 2e5h n LEU 5 Ca -0.10 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2e5h n LEU 5 Cb 0.43 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2e5h n LEU 5 CO 0.18 -0.39 0.14 0.00 -1.33 0.00 0.00 177.39 175.99 2e5h n ALA 6 N -3.56 4.62 -1.77 -1.18 0.00 -1.26 -5.08 120.51 112.28 2e5h n ALA 6 Ca -0.07 -3.76 -0.39 0.00 0.00 0.00 0.00 53.44 49.21 2e5h n ALA 6 Cb 0.27 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 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 -3.58 4.22 0.25 0.00 0.04 -1.26 -5.03 135.00 129.64 2e5h s PRO 7 Ca 0.46 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 2e5h s PRO 7 Cb 0.40 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 32.09 2e5h s PRO 7 CO -0.03 -0.21 0.61 0.45 0.04 0.00 0.00 177.00 177.86 2e5h s SER 8 N -0.89 -0.24 0.18 6.66 0.15 -0.62 -4.70 113.70 114.24 2e5h s SER 8 Ca 0.53 -0.63 -0.23 0.00 0.70 0.00 0.00 55.95 56.33 2e5h s SER 8 Cb -0.34 0.66 0.09 0.00 -1.71 0.00 0.00 66.02 64.72 2e5h s SER 8 CO 0.44 -1.22 1.58 0.11 1.20 0.00 0.00 173.24 175.35 2e5h h LYS 9 N 2.10 -0.19 -1.13 5.44 6.56 -1.81 0.24 116.57 127.77 2e5h h LYS 9 Ca -0.24 0.01 0.40 0.00 -1.06 0.00 0.00 60.65 59.77 2e5h h LYS 9 Cb 1.26 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 32.81 2e5h h LYS 9 CO 0.30 -0.13 0.67 0.66 -2.06 0.00 0.00 179.45 178.89 2e5h h SER 10 N -0.20 0.34 -4.08 0.86 4.64 -1.90 -3.40 113.55 109.80 2e5h h SER 10 Ca 0.21 0.20 -0.51 0.00 -0.47 0.00 0.00 61.79 61.21 2e5h h SER 10 Cb 0.56 0.18 0.08 0.00 -0.31 0.00 0.00 62.40 62.91 2e5h h SER 10 CO -0.65 -0.27 0.44 -0.89 -0.87 0.00 0.00 176.83 174.59 2e5h s THR 11 N -5.47 3.04 -0.10 2.95 2.01 0.83 -2.48 115.64 116.42 2e5h s THR 11 Ca -0.09 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 62.56 2e5h s THR 11 Cb 0.32 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.58 2e5h s THR 11 CO 0.80 -0.13 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.84 2e5h s VAL 12 N -1.72 0.88 -0.75 3.82 1.01 0.18 -2.43 120.40 121.39 2e5h s VAL 12 Ca 0.73 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 2e5h s VAL 12 Cb -0.26 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2e5h s VAL 12 CO 0.29 0.34 1.42 -0.47 0.00 0.00 0.00 175.10 176.68 2e5h s TYR 13 N 1.68 2.18 -0.26 5.22 6.14 0.13 -1.52 117.35 130.92 2e5h s TYR 13 Ca 0.03 0.03 -0.07 0.00 0.64 0.00 0.00 57.07 57.71 2e5h s TYR 13 Cb -0.13 -4.52 -0.02 0.00 0.42 0.00 0.00 41.96 37.71 2e5h s TYR 13 CO -0.07 -2.10 0.07 0.08 0.64 0.00 0.00 175.55 174.18 2e5h s VAL 14 N 6.38 4.18 0.43 3.14 1.01 -0.61 -1.34 120.40 133.57 2e5h s VAL 14 Ca 0.43 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2e5h s VAL 14 Cb -0.08 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2e5h s VAL 14 CO 0.13 0.27 0.12 -0.94 0.00 0.00 0.00 175.10 174.68 2e5h s SER 15 N 1.58 4.23 -1.48 3.32 1.04 -0.15 -0.18 113.70 122.07 2e5h s SER 15 Ca 0.05 -1.24 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 2e5h s SER 15 Cb -0.16 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.66 2e5h s SER 15 CO 0.03 -0.58 0.13 0.59 0.98 0.00 0.00 173.24 174.39 2e5h n ASN 16 N -1.19 -5.27 -4.80 7.02 4.13 -1.25 -2.68 115.26 111.22 2e5h n ASN 16 Ca -0.04 -0.07 -0.38 0.00 1.68 0.00 0.00 54.58 55.76 2e5h n ASN 16 Cb 0.66 -4.28 -0.06 0.00 -1.54 0.00 0.00 39.78 34.55 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 -5.28 4.52 -0.99 3.41 1.43 -1.11 -4.54 118.68 116.11 2e5h s LEU 17 Ca 0.06 1.42 -0.24 0.00 -1.03 0.00 0.00 54.13 54.35 2e5h s LEU 17 Cb -0.03 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 42.97 2e5h s LEU 17 CO 0.08 0.21 1.94 -2.16 0.23 0.00 0.00 176.35 176.65 2e5h s PRO 18 N -1.29 2.54 0.63 1.29 0.04 -1.26 -4.09 135.00 132.86 2e5h s PRO 18 Ca 0.34 -0.55 0.19 0.00 0.04 0.00 0.00 61.00 61.01 2e5h s PRO 18 Cb -0.20 -5.12 0.82 0.00 0.04 0.00 0.00 34.50 30.05 2e5h s PRO 18 CO 0.22 -3.56 1.40 0.27 0.04 0.00 0.00 177.00 175.38 2e5h h PHE 19 N 10.82 0.00 -1.14 0.56 -5.15 -1.93 0.16 116.94 120.26 2e5h h PHE 19 Ca 0.13 0.00 0.33 0.00 -0.20 0.00 0.00 57.97 58.23 2e5h h PHE 19 Cb 0.99 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.10 2e5h h PHE 19 CO 1.22 0.00 0.81 0.66 -2.00 0.00 0.00 178.31 178.99 2e5h h SER 20 N 0.00 0.05 -3.70 -0.68 4.64 -2.04 -3.40 113.55 108.42 2e5h h SER 20 Ca 0.20 0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 61.19 2e5h h SER 20 Cb 1.94 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 64.16 2e5h h SER 20 CO -0.00 0.01 0.28 0.18 -0.87 0.00 0.00 176.83 176.42 2e5h n LEU 21 N -4.24 0.00 -4.33 5.97 4.77 0.57 -5.11 117.00 114.62 2e5h n LEU 21 Ca 0.25 -1.21 -0.17 0.00 -0.03 0.00 0.00 56.01 54.85 2e5h n LEU 21 Cb 1.17 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2e5h n LEU 21 CO 0.39 -1.16 -0.37 0.28 -1.33 0.00 0.00 177.39 175.20 2e5h s THR 22 N -3.06 1.25 0.28 -5.08 -1.32 -1.26 -5.00 115.64 101.45 2e5h s THR 22 Ca 0.56 -2.08 -0.00 0.00 -1.21 0.00 0.00 61.69 58.96 2e5h s THR 22 Cb -0.02 -2.22 0.39 0.00 -1.51 0.00 0.00 72.50 69.15 2e5h s THR 22 CO 0.39 -0.45 1.42 -0.46 -2.21 0.00 0.00 174.62 173.32 2e5h n ASN 23 N -0.39 -0.16 0.01 8.08 0.23 -1.26 0.54 115.26 122.30 2e5h n ASN 23 Ca -0.07 1.55 -0.10 0.00 -0.53 0.00 0.00 54.58 55.44 2e5h n ASN 23 Cb 0.63 -0.54 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 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 -0.61 0.04 0.53 -1.24 -1.99 0.61 115.58 112.92 2e5h h ASN 24 Ca 0.52 0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.65 2e5h h ASN 24 Cb 1.02 0.27 -0.04 0.00 0.73 0.00 0.00 38.32 40.31 2e5h h ASN 24 CO -0.88 -0.25 -0.43 0.44 -1.29 0.00 0.00 177.43 175.02 2e5h h ASP 25 N -0.27 -1.33 -0.35 1.15 5.19 -0.30 -2.42 116.42 118.09 2e5h h ASP 25 Ca 0.09 0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.72 2e5h h ASP 25 Cb 0.40 0.50 -0.08 0.00 0.18 0.00 0.00 39.33 40.33 2e5h h ASP 25 CO -0.26 -0.44 -0.16 -0.07 -3.12 0.00 0.00 179.24 175.20 2e5h h LEU 26 N -0.57 -0.54 -1.37 1.55 3.38 -1.26 0.97 115.31 117.47 2e5h h LEU 26 Ca 0.00 0.13 0.41 0.00 0.09 0.00 0.00 57.88 58.52 2e5h h LEU 26 Cb 0.60 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 2e5h h LEU 26 CO -0.27 -0.19 0.80 0.22 0.09 0.00 0.00 178.44 179.09 2e5h h TYR 27 N -0.10 0.57 0.11 1.13 5.03 -0.41 0.30 116.97 123.60 2e5h h TYR 27 Ca 0.18 0.02 -0.28 0.00 2.58 0.00 0.00 58.73 61.24 2e5h h TYR 27 Cb 0.37 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 2e5h h TYR 27 CO -0.38 -0.19 -1.41 0.00 -1.32 0.00 0.00 178.16 174.86 2e5h h ARG 28 N 0.13 0.24 -0.46 1.82 3.08 -0.57 -2.61 114.38 116.01 2e5h h ARG 28 Ca 0.79 -0.42 0.11 0.00 0.07 0.00 0.00 59.98 60.54 2e5h h ARG 28 Cb 2.40 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 32.58 2e5h h ARG 28 CO -0.43 1.20 0.33 0.82 -1.07 0.00 0.00 179.97 180.82 2e5h h ILE 29 N -0.30 0.82 -0.01 2.04 2.04 0.17 0.12 117.51 122.39 2e5h h ILE 29 Ca -0.30 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2e5h h ILE 29 Cb 1.76 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2e5h h ILE 29 CO 0.06 0.02 -0.60 0.49 0.00 0.00 0.00 178.15 178.11 2e5h n PHE 30 N -4.43 0.00 0.23 1.37 3.72 0.71 -4.16 117.46 114.90 2e5h n PHE 30 Ca 0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.60 2e5h n PHE 30 Cb 0.46 -0.01 0.33 0.00 -0.94 0.00 0.00 39.48 39.32 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 1.72 0.00 0.52 4.37 0.87 -0.35 -2.55 113.55 118.13 2e5h h SER 31 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2e5h h SER 31 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2e5h h SER 31 CO 0.00 0.10 -0.09 0.07 -0.53 0.00 0.00 176.83 176.38 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.69 -3.25 116.57 115.97 2e5h h LYS 32 Ca -0.00 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.20 2e5h h LYS 32 Cb 0.88 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.14 2e5h h LYS 32 CO 0.01 0.09 -2.50 0.66 -2.00 0.00 0.00 179.45 175.71 2e5h n TYR 33 N -3.42 0.00 -3.69 0.07 4.01 -1.15 -5.05 117.16 107.94 2e5h n TYR 33 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 2e5h n TYR 33 Cb 0.25 -0.97 -0.09 0.00 -0.31 0.00 0.00 39.34 38.23 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 -5.54 -0.37 0.18 2.72 0.00 -0.97 -4.88 107.32 98.46 2e5h s GLY 34 Ca -0.38 1.26 -0.33 0.00 0.00 0.00 0.00 44.72 45.27 2e5h s GLY 34 CO 0.48 1.04 1.34 1.17 0.00 0.00 0.00 173.10 177.13 2e5h n LYS 35 N 2.36 1.62 -3.90 2.90 0.00 -1.26 -4.01 118.16 115.87 2e5h n LYS 35 Ca -0.15 0.58 -0.35 0.00 0.00 0.00 0.00 58.31 58.38 2e5h n LYS 35 Cb 0.56 -2.20 -0.08 0.00 0.00 0.00 0.00 35.03 33.32 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 0.12 5.18 -0.24 3.15 1.01 -1.26 -2.16 120.40 126.19 2e5h s VAL 36 Ca 0.74 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2e5h s VAL 36 Cb -0.77 -3.31 -0.16 0.00 0.00 0.00 0.00 36.38 32.14 2e5h s VAL 36 CO 0.48 0.51 -0.21 0.52 0.00 0.00 0.00 175.10 176.40 2e5h n VAL 37 N 2.98 1.38 -3.74 2.92 0.31 -0.95 -4.92 118.33 116.31 2e5h n VAL 37 Ca -0.17 -0.53 -0.12 0.00 -0.01 0.00 0.00 64.34 63.50 2e5h n VAL 37 Cb 0.53 -1.36 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.48 0.22 -0.56 5.55 1.02 -1.24 -5.07 119.74 117.18 2e5h s LYS 38 Ca -0.32 0.48 -0.12 0.00 0.02 0.00 0.00 55.97 56.03 2e5h s LYS 38 Cb 0.08 -0.06 0.14 0.00 -0.52 0.00 0.00 37.83 37.48 2e5h s LYS 38 CO 0.55 -0.13 0.47 0.08 -0.92 0.00 0.00 175.35 175.40 2e5h s VAL 39 N 0.98 4.73 0.12 3.17 1.01 -1.26 -1.36 120.40 127.79 2e5h s VAL 39 Ca -0.07 -1.87 -0.23 0.00 0.00 0.00 0.00 61.98 59.81 2e5h s VAL 39 Cb -0.08 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 2e5h s VAL 39 CO -0.06 -0.85 0.69 -0.89 0.00 0.00 0.00 175.10 173.98 2e5h s THR 40 N 1.17 4.54 -0.05 3.92 2.01 0.18 -4.97 115.64 122.43 2e5h s THR 40 Ca 0.07 1.50 0.01 0.00 0.31 0.00 0.00 61.69 63.58 2e5h s THR 40 Cb -0.25 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.25 2e5h s THR 40 CO -0.01 0.53 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 2e5h s ILE 41 N -1.09 0.63 0.78 1.82 1.01 -1.26 0.10 121.20 123.19 2e5h s ILE 41 Ca 0.33 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 2e5h s ILE 41 Cb -0.22 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.67 2e5h s ILE 41 CO 0.23 0.25 1.10 -0.04 0.00 0.00 0.00 174.94 176.48 2e5h s MET 42 N 0.97 2.26 -0.13 2.79 -1.94 -0.75 -4.93 119.30 117.59 2e5h s MET 42 Ca -0.10 0.62 -0.13 0.00 -1.71 0.00 0.00 55.69 54.37 2e5h s MET 42 Cb -0.14 -1.94 0.04 0.00 2.01 0.00 0.00 34.83 34.79 2e5h s MET 42 CO -0.00 -1.49 0.37 0.15 -0.01 0.00 0.00 175.02 174.04 2e5h s LYS 43 N -5.19 0.46 1.00 2.03 1.02 -1.26 -4.01 119.74 113.80 2e5h s LYS 43 Ca 0.60 0.45 -0.13 0.00 0.02 0.00 0.00 55.97 56.91 2e5h s LYS 43 Cb -0.14 0.22 0.19 0.00 -0.52 0.00 0.00 37.83 37.58 2e5h s LYS 43 CO 0.54 -0.07 1.11 0.34 -0.92 0.00 0.00 175.35 176.35 2e5h s ASP 44 N 0.04 2.67 -0.11 2.83 2.15 -0.83 -4.87 116.67 118.55 2e5h s ASP 44 Ca -0.01 1.04 -0.16 0.00 0.43 0.00 0.00 52.55 53.85 2e5h s ASP 44 Cb -0.03 -1.64 -0.27 0.00 -0.30 0.00 0.00 42.92 40.69 2e5h s ASP 44 CO 0.01 -3.08 0.53 0.11 -0.17 0.00 0.00 175.17 172.57 2e5h h LYS 45 N -1.86 0.22 0.00 4.34 6.56 -1.96 -3.25 116.57 120.62 2e5h h LYS 45 Ca -0.53 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 58.68 2e5h h LYS 45 Cb 1.33 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 2e5h h LYS 45 CO 0.57 1.18 0.00 -0.25 -2.06 0.00 0.00 179.45 178.89 2e5h n ASP 46 N -3.95 0.00 -0.23 0.86 9.92 -1.26 -4.42 116.55 117.46 2e5h n ASP 46 Ca -0.25 0.25 0.15 0.00 -0.53 0.00 0.00 54.79 54.41 2e5h n ASP 46 Cb 0.88 -0.48 0.46 0.00 -0.64 0.00 0.00 41.12 41.34 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 0.00 0.76 -5.71 -3.53 1.35 -2.00 -3.45 112.91 100.33 2e5h h THR 47 Ca 0.00 -0.18 -0.38 0.00 -0.55 0.00 0.00 66.41 65.30 2e5h h THR 47 Cb 0.00 0.20 0.14 0.00 -1.73 0.00 0.00 68.15 66.76 2e5h h THR 47 CO 0.00 0.09 -0.68 -1.14 -0.25 0.00 0.00 175.52 173.54 2e5h n ARG 48 N -4.53 -7.60 -4.38 4.72 0.63 -1.23 -4.94 116.66 99.33 2e5h n ARG 48 Ca 0.17 0.82 -0.24 0.00 -0.92 0.00 0.00 57.85 57.68 2e5h n ARG 48 Cb 0.57 -5.81 -0.09 0.00 0.45 0.00 0.00 32.46 27.58 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 -6.12 1.99 0.43 -0.14 -0.14 -1.26 -4.70 119.74 109.79 2e5h s LYS 49 Ca 0.48 -1.65 0.14 0.00 -1.36 0.00 0.00 55.97 53.58 2e5h s LYS 49 Cb -0.21 -1.94 1.04 0.00 -1.68 0.00 0.00 37.83 35.04 2e5h s LYS 49 CO 0.71 0.29 1.97 1.03 -0.76 0.00 0.00 175.35 178.60 2e5h h SER 50 N 2.03 0.37 -2.08 2.83 0.87 -1.92 -2.22 113.55 113.42 2e5h h SER 50 Ca -0.42 0.01 -0.41 0.00 -1.23 0.00 0.00 61.79 59.74 2e5h h SER 50 Cb 1.25 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 63.06 2e5h h SER 50 CO 0.62 0.22 -0.44 0.29 -0.53 0.00 0.00 176.83 176.98 2e5h n LYS 51 N -4.47 -1.59 0.00 2.24 4.76 -1.26 -2.46 118.16 115.38 2e5h n LYS 51 Ca 0.11 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.62 2e5h n LYS 51 Cb 0.40 -5.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.00 2e5h n LYS 51 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2e5h n GLY 52 N -0.69 1.14 3.62 0.72 0.00 -1.26 -4.68 105.19 104.05 2e5h n GLY 52 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.50 -3.77 1.61 0.31 -1.03 -2.77 118.33 113.18 2e5h n VAL 53 Ca 0.00 -0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 2e5h n VAL 53 Cb 0.00 -2.42 -0.15 0.00 -0.91 0.00 0.00 33.84 30.35 2e5h n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e5h s ALA 54 N 6.80 -0.01 -0.26 3.52 0.00 0.74 -1.81 121.76 130.75 2e5h s ALA 54 Ca 0.97 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.18 2e5h s ALA 54 Cb -0.40 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2e5h s ALA 54 CO 0.39 -0.11 0.24 -0.06 0.00 0.00 0.00 175.76 176.21 2e5h s PHE 55 N 1.02 3.27 -0.21 0.00 0.40 0.29 -1.58 117.98 121.17 2e5h s PHE 55 Ca -0.08 0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 56.43 2e5h s PHE 55 Cb -0.12 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 2e5h s PHE 55 CO -0.03 -0.08 0.08 0.42 0.70 0.00 0.00 175.22 176.30 2e5h s ILE 56 N 1.54 4.72 -0.21 0.64 -1.09 -0.57 0.48 121.20 126.72 2e5h s ILE 56 Ca 0.10 -0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 2e5h s ILE 56 Cb -0.15 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2e5h s ILE 56 CO 0.08 0.40 0.17 -0.22 -1.23 0.00 0.00 174.94 174.14 2e5h s LEU 57 N 0.89 4.18 0.16 2.97 0.20 -0.46 0.51 118.68 127.12 2e5h s LEU 57 Ca 0.04 0.24 0.06 0.00 0.69 0.00 0.00 54.13 55.16 2e5h s LEU 57 Cb -0.14 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 2e5h s LEU 57 CO 0.03 0.12 0.03 -0.36 -0.29 0.00 0.00 176.35 175.88 2e5h s PHE 58 N 0.64 2.94 0.11 5.38 0.40 -1.03 -2.23 117.98 124.19 2e5h s PHE 58 Ca 0.09 -0.09 -0.14 0.00 -0.60 0.00 0.00 56.93 56.19 2e5h s PHE 58 Cb -0.12 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 41.90 2e5h s PHE 58 CO 0.01 0.51 1.43 1.25 0.70 0.00 0.00 175.22 179.13 2e5h h LEU 59 N 2.74 0.81 -8.45 -0.37 5.85 -1.76 -3.44 115.31 110.69 2e5h h LEU 59 Ca -0.47 -0.47 -0.65 0.00 0.84 0.00 0.00 57.88 57.13 2e5h h LEU 59 Cb 1.20 -0.23 -0.31 0.00 0.37 0.00 0.00 40.66 41.69 2e5h h LEU 59 CO 0.60 1.11 -0.87 -0.62 -0.34 0.00 0.00 178.44 178.32 2e5h s ASP 60 N -6.61 2.78 0.13 1.25 2.15 -1.26 -5.04 116.67 110.07 2e5h s ASP 60 Ca -0.12 -0.45 -0.18 0.00 0.43 0.00 0.00 52.55 52.23 2e5h s ASP 60 Cb 0.09 -0.61 -0.04 0.00 -0.30 0.00 0.00 42.92 42.06 2e5h s ASP 60 CO 0.84 0.24 1.75 0.50 -0.17 0.00 0.00 175.17 178.34 2e5h h LYS 61 N 5.92 0.38 -0.98 4.34 3.64 -1.90 -2.43 116.57 125.55 2e5h h LYS 61 Ca -0.35 -0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.27 2e5h h LYS 61 Cb 1.16 -0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 2e5h h LYS 61 CO 0.47 0.30 0.52 0.22 -2.27 0.00 0.00 179.45 178.70 2e5h h ASP 62 N 0.35 0.49 -0.18 4.20 3.58 -1.97 0.33 116.42 123.22 2e5h h ASP 62 Ca 0.10 0.17 -0.20 0.00 0.42 0.00 0.00 57.03 57.52 2e5h h ASP 62 Cb 0.02 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2e5h h ASP 62 CO -0.02 -0.05 -0.64 0.28 -2.88 0.00 0.00 179.24 175.93 2e5h h SER 63 N 0.40 0.92 0.47 2.28 0.02 -1.80 -3.26 113.55 112.58 2e5h h SER 63 Ca 0.67 -0.53 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2e5h h SER 63 Cb 1.42 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2e5h h SER 63 CO -0.56 1.33 -0.48 0.00 -1.14 0.00 0.00 176.83 175.97 2e5h h ALA 64 N 0.68 -1.13 -0.87 3.77 0.00 0.09 -2.89 119.26 118.89 2e5h h ALA 64 Ca -0.01 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.81 2e5h h ALA 64 Cb 1.25 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 19.63 2e5h h ALA 64 CO 0.13 -1.16 -0.54 1.96 0.00 0.00 0.00 179.25 179.64 2e5h h GLN 65 N -0.95 -0.08 -0.93 0.00 4.20 -1.43 0.99 115.11 116.91 2e5h h GLN 65 Ca -0.06 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.80 2e5h h GLN 65 Cb 0.83 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.47 2e5h h GLN 65 CO -0.06 -0.05 -0.40 -0.97 -0.67 0.00 0.00 178.83 176.68 2e5h h ASN 66 N -0.08 -1.45 -0.44 1.46 -1.24 -1.56 0.87 115.58 113.14 2e5h h ASN 66 Ca 0.18 0.30 -0.02 0.00 0.71 0.00 0.00 56.30 57.46 2e5h h ASN 66 Cb 0.48 0.74 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 2e5h h ASN 66 CO -0.87 -0.29 0.20 0.00 -1.29 0.00 0.00 177.43 175.18 2e5h n THR 68 N -4.36 0.68 -0.01 0.00 -1.04 0.29 -2.31 114.28 107.53 2e5h n THR 68 Ca 0.04 0.17 -0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2e5h n THR 68 Cb 0.15 -0.95 -0.02 0.00 -1.82 0.00 0.00 70.33 67.69 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 -1.30 2.51 -0.03 -2.82 0.00 -0.31 -4.01 116.66 110.70 2e5h n ARG 69 Ca 0.06 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.77 2e5h n ARG 69 Cb 0.11 -1.05 -0.10 0.00 0.00 0.00 0.00 32.46 31.42 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 0.14 0.04 0.00 5.13 0.00 -0.37 -3.31 119.26 120.88 2e5h h ALA 70 Ca -0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 2e5h h ALA 70 Cb 0.80 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2e5h h ALA 70 CO 0.00 -0.15 -1.33 -0.84 0.00 0.00 0.00 179.25 176.93 2e5h h ILE 71 N -0.45 0.98 -2.36 0.00 3.07 -1.72 -3.45 117.51 113.57 2e5h h ILE 71 Ca 0.00 -2.66 -0.61 0.00 1.55 0.00 0.00 64.86 63.14 2e5h h ILE 71 Cb 0.61 2.43 0.10 0.00 -0.27 0.00 0.00 36.82 39.68 2e5h h ILE 71 CO 0.01 0.56 0.26 -3.20 -1.05 0.00 0.00 178.15 174.72 2e5h n ASN 72 N -3.10 1.58 -2.03 2.16 2.85 -1.25 -0.36 115.26 115.10 2e5h n ASN 72 Ca -0.09 1.16 -0.20 0.00 -0.11 0.00 0.00 54.58 55.35 2e5h n ASN 72 Cb 0.94 -1.29 -0.04 0.00 1.24 0.00 0.00 39.78 40.62 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 1.59 -5.41 -4.29 1.20 2.85 -1.25 -4.91 115.26 105.04 2e5h n ASN 73 Ca 0.11 0.22 -0.27 0.00 -0.11 0.00 0.00 54.58 54.54 2e5h n ASN 73 Cb 0.30 -4.64 -0.14 0.00 1.24 0.00 0.00 39.78 36.54 2e5h n ASN 73 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2e5h s LYS 74 N -4.43 1.43 -0.05 1.20 2.47 0.51 -5.05 119.74 115.82 2e5h s LYS 74 Ca 0.00 -1.07 -0.14 0.00 -1.56 0.00 0.00 55.97 53.20 2e5h s LYS 74 Cb 0.00 -1.64 -0.05 0.00 -1.46 0.00 0.00 37.83 34.68 2e5h s LYS 74 CO 0.00 0.41 0.37 -0.65 0.16 0.00 0.00 175.35 175.64 2e5h s GLN 75 N -1.43 3.97 0.02 4.03 1.11 -1.26 -2.02 119.66 124.07 2e5h s GLN 75 Ca 0.09 0.31 -0.00 0.00 0.01 0.00 0.00 55.36 55.77 2e5h s GLN 75 Cb -0.09 -3.27 -0.02 0.00 -1.01 0.00 0.00 33.01 28.62 2e5h s GLN 75 CO 0.03 0.57 -0.02 -0.51 0.01 0.00 0.00 175.29 175.37 2e5h s LEU 76 N -0.64 2.19 -0.52 2.90 1.02 -0.93 -4.83 118.68 117.87 2e5h s LEU 76 Ca 0.22 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.96 2e5h s LEU 76 Cb -0.15 0.08 0.01 0.00 0.02 0.00 0.00 46.19 46.15 2e5h s LEU 76 CO 0.11 -0.24 0.06 0.49 0.02 0.00 0.00 176.35 176.78 2e5h n PHE 77 N 1.90 -1.75 -3.07 0.29 3.01 -1.26 0.75 117.46 117.33 2e5h n PHE 77 Ca -0.22 0.06 -0.12 0.00 1.01 0.00 0.00 57.45 58.18 2e5h n PHE 77 Cb 0.56 -1.77 0.04 0.00 -0.01 0.00 0.00 39.48 38.30 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 -0.67 0.17 3.44 1.37 0.00 -1.26 -5.02 105.19 103.22 2e5h n GLY 78 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.68 0.54 -0.33 1.61 1.70 0.23 -5.11 118.95 111.90 2e5h s ARG 79 Ca 0.30 1.20 -0.32 0.00 -0.47 0.00 0.00 55.73 56.45 2e5h s ARG 79 Cb -0.13 0.71 -0.09 0.00 -0.57 0.00 0.00 34.95 34.86 2e5h s ARG 79 CO 0.38 -0.33 2.24 0.28 -1.08 0.00 0.00 175.30 176.78 2e5h n VAL 80 N 5.40 0.21 -3.35 4.99 0.31 -1.26 -2.19 118.33 122.45 2e5h n VAL 80 Ca -0.08 -0.37 -0.38 0.00 -0.01 0.00 0.00 64.34 63.50 2e5h n VAL 80 Cb 0.50 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.32 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 8.17 5.20 -0.20 2.52 1.01 -0.86 -4.66 121.20 132.39 2e5h s ILE 81 Ca 1.06 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 62.50 2e5h s ILE 81 Cb -0.62 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2e5h s ILE 81 CO 0.42 0.32 0.09 -0.54 0.00 0.00 0.00 174.94 175.23 2e5h s LYS 82 N 0.74 4.02 -0.06 2.79 3.01 -1.09 -3.91 119.74 125.23 2e5h s LYS 82 Ca 0.24 -0.31 0.05 0.00 -1.01 0.00 0.00 55.97 54.94 2e5h s LYS 82 Cb -0.15 -3.31 -0.01 0.00 -1.01 0.00 0.00 37.83 33.36 2e5h s LYS 82 CO 0.09 0.23 -0.23 0.00 0.51 0.00 0.00 175.35 175.95 2e5h s ALA 83 N 0.50 2.03 -0.29 5.17 0.00 -1.25 -0.97 121.76 126.94 2e5h s ALA 83 Ca 0.05 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2e5h s ALA 83 Cb -0.12 -0.66 0.12 0.00 0.00 0.00 0.00 23.12 22.45 2e5h s ALA 83 CO 0.00 0.36 0.79 -1.12 0.00 0.00 0.00 175.76 175.79 2e5h s SER 84 N -0.02 -0.84 0.41 0.00 0.01 -0.45 -4.78 113.70 108.03 2e5h s SER 84 Ca -0.07 1.27 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 2e5h s SER 84 Cb -0.14 1.58 -0.14 0.00 0.21 0.00 0.00 66.02 67.53 2e5h s SER 84 CO 0.04 -0.19 -0.01 -0.38 0.41 0.00 0.00 173.24 173.11 2e5h n ILE 85 N 4.49 0.30 -2.81 1.44 2.08 -1.26 0.17 119.36 123.77 2e5h n ILE 85 Ca -0.17 -0.45 -0.24 0.00 0.56 0.00 0.00 62.75 62.45 2e5h n ILE 85 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.43 2e5h n ILE 85 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2e5h n ALA 86 N -1.13 4.36 0.00 -1.39 0.00 -1.02 -4.43 120.51 116.91 2e5h n ALA 86 Ca 0.09 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.22 2e5h n ALA 86 Cb 0.39 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2e5h n ALA 86 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94