#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5h s SER -5 N 0.00 -0.91 -0.08 1.61 1.04 -1.26 -5.15 113.70 108.96 2e5h s SER -5 Ca 0.00 0.97 -0.18 0.00 0.48 0.00 0.00 55.95 57.22 2e5h s SER -5 Cb 0.00 1.92 -0.05 0.00 0.10 0.00 0.00 66.02 67.99 2e5h s SER -5 CO 0.00 -0.17 0.48 -0.44 0.98 0.00 0.00 173.24 174.08 2e5h s SER -4 N 2.75 6.75 0.00 7.02 0.01 -1.26 -4.97 113.70 124.00 2e5h s SER -4 Ca 0.02 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2e5h s SER -4 Cb -0.10 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2e5h s SER -4 CO -0.18 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2e5h n GLY -3 N 2.84 1.80 0.13 3.44 0.00 -1.26 -5.07 105.19 107.06 2e5h n GLY -3 Ca -0.09 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2e5h n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e5h n SER -2 N 0.00 2.04 -3.70 1.61 2.88 -1.26 -4.99 113.62 110.19 2e5h n SER -2 Ca 0.00 0.21 -0.14 0.00 -1.33 0.00 0.00 58.87 57.61 2e5h n SER -2 Cb 0.00 -0.81 -0.09 0.00 -0.75 0.00 0.00 64.21 62.56 2e5h n SER -2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2e5h s SER -1 N -6.95 -0.48 0.09 -3.46 1.04 -1.26 -5.15 113.70 97.52 2e5h s SER -1 Ca -0.27 0.86 -0.24 0.00 0.48 0.00 0.00 55.95 56.79 2e5h s SER -1 Cb 0.07 0.89 -0.07 0.00 0.10 0.00 0.00 66.02 67.02 2e5h s SER -1 CO 0.68 -0.22 0.71 -0.83 0.98 0.00 0.00 173.24 174.57 2e5h s GLY 0 N 0.02 2.80 -0.44 7.32 0.00 -1.26 -5.01 107.32 110.74 2e5h s GLY 0 Ca -0.02 0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.65 2e5h s GLY 0 CO 0.02 0.86 1.24 1.06 0.00 0.00 0.00 173.10 176.27 2e5h s MET 1 N -0.67 3.70 0.12 2.90 -1.94 -1.26 -4.96 119.30 117.19 2e5h s MET 1 Ca 0.35 0.75 -0.34 0.00 -1.71 0.00 0.00 55.69 54.74 2e5h s MET 1 Cb -0.21 -3.94 -0.18 0.00 2.01 0.00 0.00 34.83 32.51 2e5h s MET 1 CO 0.23 -1.41 0.89 -1.13 -0.01 0.00 0.00 175.02 173.59 2e5h n SER 2 N 8.13 -0.11 -3.44 3.03 3.41 -1.26 -4.96 113.62 118.42 2e5h n SER 2 Ca 0.14 1.15 -0.17 0.00 -0.26 0.00 0.00 58.87 59.72 2e5h n SER 2 Cb 0.48 -1.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.32 2e5h n SER 2 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e5h s GLY 3 N -0.37 -0.09 0.00 5.00 0.00 -1.26 -5.05 107.32 105.55 2e5h s GLY 3 Ca 0.76 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2e5h s GLY 3 CO 0.56 2.42 0.00 0.61 0.00 0.00 0.00 173.10 176.69 2e5h n GLY 4 N 5.32 1.68 2.60 0.20 0.00 -1.26 -4.88 105.19 108.84 2e5h n GLY 4 Ca -0.04 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 2e5h n GLY 4 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2e5h n LEU 5 N 0.00 0.00 -4.72 0.99 -0.00 -1.26 -5.07 117.00 106.94 2e5h n LEU 5 Ca 0.00 -1.32 -0.38 0.00 -0.00 0.00 0.00 56.01 54.31 2e5h n LEU 5 Cb 0.00 -0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 42.87 2e5h n LEU 5 CO 0.00 -0.89 0.16 0.00 -0.00 0.00 0.00 177.39 176.66 2e5h s ALA 6 N -3.23 3.49 0.12 1.47 0.00 -1.26 -5.00 121.76 117.35 2e5h s ALA 6 Ca 0.46 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 2e5h s ALA 6 Cb -0.02 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 20.38 2e5h s ALA 6 CO 0.31 -0.02 1.35 -1.25 0.00 0.00 0.00 175.76 176.15 2e5h s PRO 7 N 0.67 4.35 0.13 0.00 0.04 -1.26 -5.03 135.00 133.90 2e5h s PRO 7 Ca 0.25 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.36 2e5h s PRO 7 Cb -0.15 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2e5h s PRO 7 CO 0.10 -0.38 -0.09 -1.12 0.04 0.00 0.00 177.00 175.55 2e5h s SER 8 N 0.95 1.60 0.21 6.66 0.01 -1.14 -4.61 113.70 117.39 2e5h s SER 8 Ca 0.62 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 2e5h s SER 8 Cb -0.36 0.02 0.22 0.00 0.21 0.00 0.00 66.02 66.11 2e5h s SER 8 CO 0.32 -0.37 1.59 0.11 0.41 0.00 0.00 173.24 175.29 2e5h h LYS 9 N 2.83 -0.07 -0.98 12.44 6.56 -1.96 0.19 116.57 135.58 2e5h h LYS 9 Ca -0.36 0.00 0.32 0.00 -1.06 0.00 0.00 60.65 59.55 2e5h h LYS 9 Cb 1.18 0.02 -0.18 0.00 -0.57 0.00 0.00 32.23 32.68 2e5h h LYS 9 CO 0.64 -0.05 0.24 0.66 -2.06 0.00 0.00 179.45 178.88 2e5h h SER 10 N -0.07 -0.13 -4.21 0.86 4.64 -1.87 -3.41 113.55 109.36 2e5h h SER 10 Ca 0.30 0.26 -0.53 0.00 -0.47 0.00 0.00 61.79 61.35 2e5h h SER 10 Cb 0.56 0.38 0.16 0.00 -0.31 0.00 0.00 62.40 63.19 2e5h h SER 10 CO -0.76 -0.35 0.35 -0.89 -0.87 0.00 0.00 176.83 174.32 2e5h s THR 11 N -5.83 2.35 -0.12 2.95 2.01 0.68 -2.80 115.64 114.89 2e5h s THR 11 Ca -0.11 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 2e5h s THR 11 Cb 0.30 -2.60 0.03 0.00 0.01 0.00 0.00 72.50 70.25 2e5h s THR 11 CO 0.78 -0.11 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.88 2e5h s VAL 12 N -2.21 0.75 -0.57 3.82 1.01 0.29 -3.60 120.40 119.90 2e5h s VAL 12 Ca 0.71 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 2e5h s VAL 12 Cb -0.27 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2e5h s VAL 12 CO 0.49 0.23 1.53 -0.47 0.00 0.00 0.00 175.10 176.88 2e5h s TYR 13 N 1.81 2.11 0.01 5.22 6.14 0.21 -1.82 117.35 131.02 2e5h s TYR 13 Ca 0.04 0.51 0.06 0.00 0.64 0.00 0.00 57.07 58.31 2e5h s TYR 13 Cb -0.13 -4.33 -0.03 0.00 0.42 0.00 0.00 41.96 37.89 2e5h s TYR 13 CO -0.07 -2.14 -0.17 0.08 0.64 0.00 0.00 175.55 173.89 2e5h s VAL 14 N 6.74 2.84 0.23 3.14 1.01 -0.22 -1.03 120.40 133.12 2e5h s VAL 14 Ca 0.56 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2e5h s VAL 14 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2e5h s VAL 14 CO 0.24 0.43 0.16 -0.44 0.00 0.00 0.00 175.10 175.49 2e5h s SER 15 N -1.18 0.52 -1.60 3.32 0.01 -0.71 0.03 113.70 114.09 2e5h s SER 15 Ca 0.14 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2e5h s SER 15 Cb -0.11 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2e5h s SER 15 CO 0.04 -0.89 0.00 0.59 0.41 0.00 0.00 173.24 173.39 2e5h n ASN 16 N -0.56 -4.97 -4.80 2.44 4.13 -1.25 -3.01 115.26 107.23 2e5h n ASN 16 Ca 0.03 0.20 -0.38 0.00 1.68 0.00 0.00 54.58 56.11 2e5h n ASN 16 Cb 0.65 -4.01 -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 -4.30 4.46 -0.93 3.41 1.43 -1.16 -4.65 118.68 116.93 2e5h s LEU 17 Ca 0.00 1.46 -0.24 0.00 -1.03 0.00 0.00 54.13 54.31 2e5h s LEU 17 Cb 0.00 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 2e5h s LEU 17 CO 0.00 0.14 1.95 -2.16 0.23 0.00 0.00 176.35 176.50 2e5h s PRO 18 N -1.55 2.54 0.58 1.29 0.04 -1.26 -3.83 135.00 132.81 2e5h s PRO 18 Ca 0.38 -0.37 0.33 0.00 0.04 0.00 0.00 61.00 61.38 2e5h s PRO 18 Cb -0.19 -5.08 1.38 0.00 0.04 0.00 0.00 34.50 30.65 2e5h s PRO 18 CO 0.22 -3.44 1.68 0.27 0.04 0.00 0.00 177.00 175.78 2e5h h PHE 19 N 11.14 0.00 -1.22 0.56 -5.15 -1.93 0.37 116.94 120.71 2e5h h PHE 19 Ca 0.11 0.00 0.38 0.00 -0.20 0.00 0.00 57.97 58.26 2e5h h PHE 19 Cb 1.00 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 37.05 2e5h h PHE 19 CO 1.22 0.00 0.78 1.03 -2.00 0.00 0.00 178.31 179.34 2e5h h SER 20 N 0.00 0.31 -3.65 -0.68 0.87 -2.04 -3.40 113.55 104.97 2e5h h SER 20 Ca 0.46 0.12 -0.42 0.00 -1.23 0.00 0.00 61.79 60.72 2e5h h SER 20 Cb 2.20 0.09 0.18 0.00 -0.44 0.00 0.00 62.40 64.44 2e5h h SER 20 CO -0.00 -0.10 0.22 -0.76 -0.53 0.00 0.00 176.83 175.65 2e5h s LEU 21 N -9.55 1.28 0.23 2.23 1.43 0.12 -5.09 118.68 109.34 2e5h s LEU 21 Ca -0.08 0.50 0.10 0.00 -1.03 0.00 0.00 54.13 53.62 2e5h s LEU 21 Cb 0.28 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2e5h s LEU 21 CO 0.81 -3.74 -0.17 0.28 0.23 0.00 0.00 176.35 173.76 2e5h s THR 22 N -3.27 2.09 0.22 5.49 -1.32 -1.26 -4.99 115.64 112.59 2e5h s THR 22 Ca 0.72 -2.27 -0.02 0.00 -1.21 0.00 0.00 61.69 58.90 2e5h s THR 22 Cb -0.08 -2.15 0.33 0.00 -1.51 0.00 0.00 72.50 69.10 2e5h s THR 22 CO 0.55 -0.48 1.17 0.59 -2.21 0.00 0.00 174.62 174.24 2e5h n ASN 23 N -0.42 -0.18 -0.12 8.08 3.02 -1.26 0.16 115.26 124.54 2e5h n ASN 23 Ca -0.07 1.28 -0.04 0.00 -0.03 0.00 0.00 54.58 55.71 2e5h n ASN 23 Cb 0.60 -0.42 0.03 0.00 -0.61 0.00 0.00 39.78 39.37 2e5h n ASN 23 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2e5h h ASN 24 N 0.00 -0.22 0.10 6.41 4.21 -1.99 -0.88 115.58 123.21 2e5h h ASN 24 Ca 0.41 0.10 0.00 0.00 1.21 0.00 0.00 56.30 58.02 2e5h h ASN 24 Cb 0.74 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.11 2e5h h ASN 24 CO -0.74 -0.07 -0.19 0.44 -1.29 0.00 0.00 177.43 175.59 2e5h h ASP 25 N 0.08 -0.54 -0.68 5.81 5.19 0.12 -2.58 116.42 123.82 2e5h h ASP 25 Ca 0.20 0.05 0.13 0.00 -0.62 0.00 0.00 57.03 56.80 2e5h h ASP 25 Cb 0.30 0.19 -0.13 0.00 0.18 0.00 0.00 39.33 39.87 2e5h h ASP 25 CO -0.36 -0.21 -0.22 -0.07 -3.12 0.00 0.00 179.24 175.26 2e5h h LEU 26 N -0.30 -0.80 -0.89 1.55 3.38 -1.33 0.63 115.31 117.55 2e5h h LEU 26 Ca -0.01 0.22 0.17 0.00 0.09 0.00 0.00 57.88 58.35 2e5h h LEU 26 Cb 0.29 0.48 -0.16 0.00 0.09 0.00 0.00 40.66 41.35 2e5h h LEU 26 CO -0.07 -0.25 -0.27 0.22 0.09 0.00 0.00 178.44 178.15 2e5h h TYR 27 N -0.04 -0.65 -0.04 1.13 5.03 -0.87 0.28 116.97 121.80 2e5h h TYR 27 Ca 0.31 0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.68 2e5h h TYR 27 Cb 0.53 0.42 -0.00 0.00 1.55 0.00 0.00 36.73 39.23 2e5h h TYR 27 CO -0.59 -0.39 -0.07 0.00 -1.32 0.00 0.00 178.16 175.79 2e5h h ARG 28 N -0.02 0.13 -1.02 1.82 3.08 -0.62 -0.97 114.38 116.78 2e5h h ARG 28 Ca 0.40 -0.08 0.27 0.00 0.07 0.00 0.00 59.98 60.64 2e5h h ARG 28 Cb 0.64 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.62 2e5h h ARG 28 CO -0.92 0.64 0.69 0.82 -1.07 0.00 0.00 179.97 180.13 2e5h h ILE 29 N -0.37 0.53 -0.00 2.04 2.04 0.87 0.80 117.51 123.41 2e5h h ILE 29 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2e5h h ILE 29 Cb 0.63 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2e5h h ILE 29 CO 0.02 0.05 -0.63 0.49 0.00 0.00 0.00 178.15 178.08 2e5h n PHE 30 N -4.47 0.00 0.20 1.37 3.72 0.79 -4.06 117.46 115.02 2e5h n PHE 30 Ca 0.23 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.71 2e5h n PHE 30 Cb 0.93 -0.09 0.37 0.00 -0.94 0.00 0.00 39.48 39.74 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 0.70 0.00 0.18 4.37 0.87 0.20 -2.83 113.55 117.04 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 0.55 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2e5h h SER 31 CO 0.00 0.28 -0.01 0.07 -0.53 0.00 0.00 176.83 176.64 2e5h h LYS 32 N 0.00 0.00 0.00 2.24 2.10 -1.65 -2.52 116.57 116.73 2e5h h LYS 32 Ca -0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 2e5h h LYS 32 Cb 0.87 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.14 2e5h h LYS 32 CO 0.04 0.01 -2.32 0.66 -2.00 0.00 0.00 179.45 175.84 2e5h n TYR 33 N -3.27 0.00 -3.62 0.07 4.01 -1.10 -5.05 117.16 108.20 2e5h n TYR 33 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 2e5h n TYR 33 Cb 0.12 -0.94 -0.04 0.00 -0.31 0.00 0.00 39.34 38.17 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 -5.56 -0.06 0.24 2.72 0.00 -0.95 -4.81 107.32 98.90 2e5h s GLY 34 Ca -0.14 2.45 -0.31 0.00 0.00 0.00 0.00 44.72 46.71 2e5h s GLY 34 CO 0.73 1.00 1.43 1.17 0.00 0.00 0.00 173.10 177.44 2e5h n LYS 35 N 0.48 2.09 -4.04 2.90 4.81 -1.26 -3.87 118.16 119.26 2e5h n LYS 35 Ca -0.03 0.74 -0.36 0.00 -0.87 0.00 0.00 58.31 57.80 2e5h n LYS 35 Cb 0.58 -2.42 -0.07 0.00 0.02 0.00 0.00 35.03 33.15 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 -0.00 5.08 -0.18 3.15 1.01 -1.26 -2.61 120.40 125.58 2e5h s VAL 36 Ca 0.68 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2e5h s VAL 36 Cb -0.64 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 2e5h s VAL 36 CO 0.49 0.60 -0.15 0.52 0.00 0.00 0.00 175.10 176.56 2e5h n VAL 37 N 2.17 1.05 -3.82 2.92 0.31 -0.99 -4.87 118.33 115.09 2e5h n VAL 37 Ca -0.19 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.61 2e5h n VAL 37 Cb 0.54 -1.12 -0.09 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.62 -0.19 5.55 1.02 -1.21 -5.07 119.74 118.09 2e5h s LYS 38 Ca -0.24 -0.40 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2e5h s LYS 38 Cb 0.06 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.66 2e5h s LYS 38 CO 0.43 -0.17 -0.17 0.08 -0.92 0.00 0.00 175.35 174.60 2e5h s VAL 39 N -1.75 1.97 -0.01 3.17 1.01 -1.26 -1.69 120.40 121.84 2e5h s VAL 39 Ca -0.11 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.88 2e5h s VAL 39 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2e5h s VAL 39 CO 0.01 0.43 0.03 -0.89 0.00 0.00 0.00 175.10 174.68 2e5h s THR 40 N 1.30 4.41 -0.02 3.92 2.01 0.24 -5.01 115.64 122.49 2e5h s THR 40 Ca 0.03 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.53 2e5h s THR 40 Cb -0.14 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.40 2e5h s THR 40 CO -0.11 0.37 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.54 2e5h s ILE 41 N -1.12 0.25 0.78 1.82 1.01 -1.26 0.24 121.20 122.92 2e5h s ILE 41 Ca 0.21 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 2e5h s ILE 41 Cb -0.12 -0.27 0.06 0.00 0.01 0.00 0.00 42.46 42.14 2e5h s ILE 41 CO 0.11 0.11 1.10 -0.04 0.00 0.00 0.00 174.94 176.23 2e5h s MET 42 N 0.41 2.21 -0.28 2.79 -1.94 -0.55 -4.91 119.30 117.04 2e5h s MET 42 Ca -0.04 0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 54.38 2e5h s MET 42 Cb -0.07 -1.94 0.12 0.00 2.01 0.00 0.00 34.83 34.94 2e5h s MET 42 CO -0.01 -1.51 0.61 0.15 -0.01 0.00 0.00 175.02 174.25 2e5h s LYS 43 N -5.24 0.55 1.11 2.03 3.01 -1.26 -3.96 119.74 115.98 2e5h s LYS 43 Ca 0.60 1.35 -0.13 0.00 -1.01 0.00 0.00 55.97 56.79 2e5h s LYS 43 Cb -0.13 0.69 0.25 0.00 -1.01 0.00 0.00 37.83 37.63 2e5h s LYS 43 CO 0.53 -0.20 1.05 0.34 0.51 0.00 0.00 175.35 177.58 2e5h s ASP 44 N 2.68 1.45 -0.20 2.83 2.15 -0.46 -4.84 116.67 120.29 2e5h s ASP 44 Ca -0.06 1.48 -0.11 0.00 0.43 0.00 0.00 52.55 54.29 2e5h s ASP 44 Cb -0.11 -2.22 -0.20 0.00 -0.30 0.00 0.00 42.92 40.09 2e5h s ASP 44 CO -0.18 -3.90 0.09 1.17 -0.17 0.00 0.00 175.17 172.18 2e5h n LYS 45 N -4.71 0.65 0.00 4.34 4.81 -1.26 -3.48 118.16 118.51 2e5h n LYS 45 Ca 0.04 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2e5h n LYS 45 Cb 0.55 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.95 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 -3.89 0.00 -0.03 3.14 9.92 -1.26 -4.24 116.55 120.18 2e5h n ASP 46 Ca -0.38 0.43 0.03 0.00 -0.53 0.00 0.00 54.79 54.33 2e5h n ASP 46 Cb 0.89 -0.37 0.37 0.00 -0.64 0.00 0.00 41.12 41.37 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 1.14 -4.61 -3.53 1.35 -2.00 -3.46 112.91 101.79 2e5h h THR 47 Ca 0.00 -0.33 -0.24 0.00 -0.55 0.00 0.00 66.41 65.29 2e5h h THR 47 Cb 0.00 0.52 0.12 0.00 -1.73 0.00 0.00 68.15 67.06 2e5h h THR 47 CO 0.00 0.15 -0.55 -1.14 -0.25 0.00 0.00 175.52 173.73 2e5h n ARG 48 N -4.43 -4.89 -4.30 4.72 0.00 -1.23 -4.98 116.66 101.55 2e5h n ARG 48 Ca 0.04 0.61 -0.18 0.00 -0.00 0.00 0.00 57.85 58.31 2e5h n ARG 48 Cb 0.09 -4.93 -0.11 0.00 0.00 0.00 0.00 32.46 27.52 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 -5.10 1.19 0.27 -0.14 -0.14 -1.26 -4.74 119.74 109.83 2e5h s LYS 49 Ca 0.05 -1.44 0.07 0.00 -1.36 0.00 0.00 55.97 53.30 2e5h s LYS 49 Cb -0.02 -1.03 0.37 0.00 -1.68 0.00 0.00 37.83 35.47 2e5h s LYS 49 CO 0.53 0.18 1.63 1.03 -0.76 0.00 0.00 175.35 177.96 2e5h h SER 50 N 3.00 0.18 -2.20 2.83 0.87 -1.92 -1.22 113.55 115.09 2e5h h SER 50 Ca -0.39 -0.09 -0.37 0.00 -1.23 0.00 0.00 61.79 59.71 2e5h h SER 50 Cb 1.21 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.03 2e5h h SER 50 CO 0.57 0.68 -0.40 0.29 -0.53 0.00 0.00 176.83 177.43 2e5h n LYS 51 N -3.92 -1.63 0.00 2.24 5.02 -1.26 -1.76 118.16 116.85 2e5h n LYS 51 Ca -0.02 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2e5h n LYS 51 Cb 0.56 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 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 -0.64 2.19 3.59 0.72 0.00 -1.25 -4.42 105.19 105.38 2e5h n GLY 52 Ca -0.20 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 0.29 -3.95 1.61 0.31 -0.72 -2.98 118.33 112.89 2e5h n VAL 53 Ca 0.00 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 2e5h n VAL 53 Cb 0.00 -2.58 -0.11 0.00 -0.91 0.00 0.00 33.84 30.25 2e5h n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2e5h s ALA 54 N 8.75 -0.00 -0.09 3.52 0.00 0.10 -1.49 121.76 132.55 2e5h s ALA 54 Ca 1.01 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2e5h s ALA 54 Cb -0.33 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2e5h s ALA 54 CO 0.34 -0.17 -0.12 -0.06 0.00 0.00 0.00 175.76 175.75 2e5h s PHE 55 N -1.42 2.79 -0.09 0.00 0.40 0.14 -1.05 117.98 118.74 2e5h s PHE 55 Ca -0.15 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2e5h s PHE 55 Cb -0.09 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2e5h s PHE 55 CO -0.00 0.04 -0.15 0.42 0.70 0.00 0.00 175.22 176.22 2e5h s ILE 56 N -0.26 2.92 -0.24 0.64 -1.09 -0.76 0.80 121.20 123.21 2e5h s ILE 56 Ca 0.02 -0.74 -0.08 0.00 -2.23 0.00 0.00 60.65 57.62 2e5h s ILE 56 Cb -0.13 -2.18 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2e5h s ILE 56 CO 0.03 0.55 0.09 -0.22 -1.23 0.00 0.00 174.94 174.16 2e5h s LEU 57 N -0.07 3.61 -0.00 2.97 0.20 -0.68 0.10 118.68 124.81 2e5h s LEU 57 Ca -0.03 -0.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.65 2e5h s LEU 57 Cb -0.14 -1.96 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 2e5h s LEU 57 CO 0.04 0.00 0.15 -0.36 -0.29 0.00 0.00 176.35 175.89 2e5h s PHE 58 N 1.41 3.45 0.18 5.38 0.40 -1.12 -2.35 117.98 125.34 2e5h s PHE 58 Ca 0.06 0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 2e5h s PHE 58 Cb -0.15 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.63 2e5h s PHE 58 CO 0.05 0.61 1.55 1.25 0.70 0.00 0.00 175.22 179.38 2e5h h LEU 59 N 3.85 -1.71 -8.08 -0.37 5.85 -1.84 -3.39 115.31 109.62 2e5h h LEU 59 Ca -0.49 0.29 -0.56 0.00 0.84 0.00 0.00 57.88 57.96 2e5h h LEU 59 Cb 1.18 0.79 -0.33 0.00 0.37 0.00 0.00 40.66 42.67 2e5h h LEU 59 CO 0.67 -0.30 -0.83 -0.62 -0.34 0.00 0.00 178.44 177.02 2e5h s ASP 60 N -5.30 2.11 0.39 1.25 -1.08 -1.26 -5.01 116.67 107.77 2e5h s ASP 60 Ca -0.13 -0.37 0.23 0.00 -0.52 0.00 0.00 52.55 51.76 2e5h s ASP 60 Cb 0.14 -0.97 1.36 0.00 -1.46 0.00 0.00 42.92 42.00 2e5h s ASP 60 CO 0.66 0.07 1.59 0.07 0.52 0.00 0.00 175.17 178.07 2e5h h LYS 61 N 6.88 0.03 -0.81 4.34 2.10 -1.86 0.52 116.57 127.77 2e5h h LYS 61 Ca -0.28 -0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.56 2e5h h LYS 61 Cb 1.20 -0.01 -0.14 0.00 -0.90 0.00 0.00 32.23 32.39 2e5h h LYS 61 CO 0.47 0.02 0.07 0.22 -2.00 0.00 0.00 179.45 178.23 2e5h h ASP 62 N 0.03 -0.27 -0.37 7.07 1.82 -1.95 0.16 116.42 122.91 2e5h h ASP 62 Ca 0.85 0.20 -0.12 0.00 -0.39 0.00 0.00 57.03 57.56 2e5h h ASP 62 Cb 2.34 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 42.67 2e5h h ASP 62 CO -0.68 -0.18 -0.25 0.77 -1.61 0.00 0.00 179.24 177.28 2e5h h SER 63 N 0.13 0.87 0.25 2.28 4.64 -0.31 -3.28 113.55 118.12 2e5h h SER 63 Ca 0.46 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2e5h h SER 63 Cb 0.86 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.67 2e5h h SER 63 CO -0.68 1.12 -0.51 0.00 -0.87 0.00 0.00 176.83 175.88 2e5h h ALA 64 N 0.78 -1.02 -0.72 5.18 0.00 -0.62 -2.79 119.26 120.07 2e5h h ALA 64 Ca 0.07 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2e5h h ALA 64 Cb 0.82 0.82 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 2e5h h ALA 64 CO 0.07 -1.13 -0.41 1.04 0.00 0.00 0.00 179.25 178.82 2e5h n GLN 65 N -5.51 -0.30 -0.20 0.00 1.13 -0.46 -0.39 117.38 111.64 2e5h n GLN 65 Ca -0.10 1.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.96 2e5h n GLN 65 Cb 0.43 -1.61 -0.07 0.00 0.11 0.00 0.00 30.24 29.10 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 -1.48 -0.94 1.08 -0.73 -1.60 0.26 115.58 112.17 2e5h h ASN 66 Ca 0.13 0.21 0.14 0.00 1.87 0.00 0.00 56.30 58.65 2e5h h ASN 66 Cb 0.31 0.63 -0.08 0.00 0.27 0.00 0.00 38.32 39.45 2e5h h ASN 66 CO -0.68 -0.23 0.60 0.00 -0.37 0.00 0.00 177.43 176.74 2e5h n THR 68 N -4.60 1.82 -0.00 0.00 -1.04 0.87 -1.60 114.28 109.74 2e5h n THR 68 Ca 0.19 0.45 0.00 0.00 -2.04 0.00 0.00 64.05 62.65 2e5h n THR 68 Cb 0.45 -1.42 -0.00 0.00 -1.82 0.00 0.00 70.33 67.54 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 -1.49 0.05 -0.02 -2.82 0.00 0.12 -4.02 116.66 108.47 2e5h n ARG 69 Ca 0.01 -0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 2e5h n ARG 69 Cb 0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 32.46 31.37 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 0.04 0.08 0.00 5.13 0.00 0.26 -3.34 119.26 121.43 2e5h h ALA 70 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2e5h h ALA 70 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2e5h h ALA 70 CO 0.00 0.21 -1.55 0.44 0.00 0.00 0.00 179.25 178.34 2e5h n ILE 71 N -4.38 0.97 -1.63 0.00 -5.35 -0.81 -4.78 119.36 103.38 2e5h n ILE 71 Ca -0.10 -0.67 -0.49 0.00 -0.27 0.00 0.00 62.75 61.23 2e5h n ILE 71 Cb 0.56 -0.55 -0.05 0.00 -1.74 0.00 0.00 39.64 37.86 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 -2.76 3.16 -2.47 7.28 5.15 -1.25 -1.32 115.26 123.05 2e5h n ASN 72 Ca -0.10 0.79 -0.12 0.00 -0.60 0.00 0.00 54.58 54.54 2e5h n ASN 72 Cb 0.80 -1.36 0.05 0.00 -0.53 0.00 0.00 39.78 38.74 2e5h n ASN 72 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2e5h n ASN 73 N 7.74 -3.18 -3.86 1.20 5.15 -1.18 -4.89 115.26 116.24 2e5h n ASN 73 Ca 0.27 -0.36 -0.12 0.00 -0.60 0.00 0.00 54.58 53.77 2e5h n ASN 73 Cb 0.29 -3.35 -0.13 0.00 -0.53 0.00 0.00 39.78 36.07 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 -5.26 0.15 -0.27 1.20 -0.14 -0.44 -5.04 119.74 109.96 2e5h s LYS 74 Ca 0.16 -0.03 -0.26 0.00 -1.36 0.00 0.00 55.97 54.48 2e5h s LYS 74 Cb -0.07 0.07 0.00 0.00 -1.68 0.00 0.00 37.83 36.15 2e5h s LYS 74 CO 0.45 -0.03 0.92 -0.65 -0.76 0.00 0.00 175.35 175.29 2e5h s GLN 75 N -0.27 4.13 -0.01 1.68 -0.21 -1.26 -1.83 119.66 121.89 2e5h s GLN 75 Ca -0.03 0.99 0.07 0.00 0.02 0.00 0.00 55.36 56.41 2e5h s GLN 75 Cb -0.02 -3.68 -0.02 0.00 1.00 0.00 0.00 33.01 30.29 2e5h s GLN 75 CO 0.00 -0.65 -0.23 -0.51 -2.12 0.00 0.00 175.29 171.78 2e5h s LEU 76 N 3.11 2.06 -0.63 2.90 1.02 -0.79 -4.69 118.68 121.66 2e5h s LEU 76 Ca 0.39 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.11 2e5h s LEU 76 Cb -0.14 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 44.90 2e5h s LEU 76 CO 0.10 0.27 0.00 0.49 0.02 0.00 0.00 176.35 177.23 2e5h n PHE 77 N 2.44 -1.35 -2.28 0.29 3.01 -1.26 -0.63 117.46 117.67 2e5h n PHE 77 Ca -0.16 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.26 2e5h n PHE 77 Cb 0.52 -1.92 0.02 0.00 -0.01 0.00 0.00 39.48 38.09 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 -0.49 0.27 3.38 1.37 0.00 -1.26 -5.05 105.19 103.41 2e5h n GLY 78 Ca -0.08 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.65 2e5h n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e5h s ARG 79 N -4.19 0.24 -0.50 1.61 1.70 0.19 -5.10 118.95 112.90 2e5h s ARG 79 Ca 0.01 0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 55.59 2e5h s ARG 79 Cb -0.00 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.63 2e5h s ARG 79 CO 0.17 -0.08 2.41 0.28 -1.08 0.00 0.00 175.30 177.00 2e5h n VAL 80 N 4.79 0.01 -3.35 4.99 0.31 -1.26 -1.89 118.33 121.92 2e5h n VAL 80 Ca -0.09 -0.61 -0.38 0.00 -0.01 0.00 0.00 64.34 63.25 2e5h n VAL 80 Cb 0.53 -2.40 -0.06 0.00 -0.91 0.00 0.00 33.84 31.01 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 10.87 5.00 -0.08 2.52 1.01 -0.76 -4.67 121.20 135.09 2e5h s ILE 81 Ca 1.04 1.01 -0.01 0.00 0.00 0.00 0.00 60.65 62.69 2e5h s ILE 81 Cb -0.39 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2e5h s ILE 81 CO 0.32 0.47 -0.02 -0.54 0.00 0.00 0.00 174.94 175.17 2e5h s LYS 82 N -0.42 2.90 0.02 2.79 3.01 -1.16 -3.11 119.74 123.77 2e5h s LYS 82 Ca 0.26 -0.46 0.05 0.00 -1.01 0.00 0.00 55.97 54.82 2e5h s LYS 82 Cb -0.17 -2.72 -0.02 0.00 -1.01 0.00 0.00 37.83 33.91 2e5h s LYS 82 CO 0.14 0.69 -0.14 0.00 0.51 0.00 0.00 175.35 176.55 2e5h s ALA 83 N -0.86 1.20 -0.28 5.17 0.00 -1.25 -1.73 121.76 123.99 2e5h s ALA 83 Ca 0.13 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 2e5h s ALA 83 Cb -0.11 -0.23 0.13 0.00 0.00 0.00 0.00 23.12 22.90 2e5h s ALA 83 CO 0.02 0.25 1.01 -1.54 0.00 0.00 0.00 175.76 175.50 2e5h s SER 84 N -0.86 -0.48 0.15 0.00 1.04 -0.20 -4.77 113.70 108.59 2e5h s SER 84 Ca 0.03 0.88 -0.33 0.00 0.48 0.00 0.00 55.95 57.01 2e5h s SER 84 Cb -0.07 0.96 -0.12 0.00 0.10 0.00 0.00 66.02 66.89 2e5h s SER 84 CO 0.01 -0.15 1.72 -0.38 0.98 0.00 0.00 173.24 175.41 2e5h n ILE 85 N 2.57 0.13 -3.15 -1.02 2.08 -1.26 0.65 119.36 119.35 2e5h n ILE 85 Ca -0.14 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.73 2e5h n ILE 85 Cb 0.56 -1.86 -0.07 0.00 -0.75 0.00 0.00 39.64 37.52 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 1.66 3.46 0.00 -1.39 0.00 -1.24 -4.77 121.76 119.49 2e5h s ALA 86 Ca 0.79 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2e5h s ALA 86 Cb -0.57 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2e5h s ALA 86 CO 0.37 -1.30 0.17 0.44 0.00 0.00 0.00 175.76 175.44