#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t s SER 2 N 0.00 -0.29 -0.23 1.61 0.15 -1.26 -4.73 113.70 108.96 1x5t s SER 2 Ca 0.00 0.53 -0.10 0.00 0.70 0.00 0.00 55.95 57.08 1x5t s SER 2 Cb 0.00 0.66 -0.10 0.00 -1.71 0.00 0.00 66.02 64.87 1x5t s SER 2 CO 0.00 -0.09 -0.28 -1.20 1.20 0.00 0.00 173.24 172.87 1x5t n SER 3 N 2.27 1.70 -1.22 5.45 7.64 -1.26 -5.08 113.62 123.12 1x5t n SER 3 Ca -0.13 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1x5t n SER 3 Cb 0.56 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1x5t n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5t n GLY 4 N 1.67 4.80 1.91 0.23 0.00 -1.26 -5.07 105.19 107.47 1x5t n GLY 4 Ca -0.44 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 43.41 1x5t n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5t n SER 5 N -1.34 4.66 -3.80 1.61 2.88 -1.26 -4.92 113.62 111.46 1x5t n SER 5 Ca 0.00 -3.76 -0.42 0.00 -1.33 0.00 0.00 58.87 53.36 1x5t n SER 5 Cb 0.00 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1x5t n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5t n SER 6 N -0.74 4.57 -4.92 -3.46 3.41 -1.26 -4.95 113.62 106.27 1x5t n SER 6 Ca 0.42 -2.99 -0.26 0.00 -0.26 0.00 0.00 58.87 55.78 1x5t n SER 6 Cb 0.95 -1.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.36 1x5t n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5t s GLY 7 N 1.90 1.56 0.02 5.00 0.00 -1.26 -3.54 107.32 111.00 1x5t s GLY 7 Ca 0.43 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.46 1x5t s GLY 7 CO -0.04 -0.52 -0.14 -0.26 0.00 0.00 0.00 173.10 172.15 1x5t s ILE 8 N -2.81 1.08 -0.18 0.90 -4.36 0.81 -2.51 121.20 114.14 1x5t s ILE 8 Ca 0.51 -0.85 -0.07 0.00 -0.26 0.00 0.00 60.65 59.97 1x5t s ILE 8 Cb -0.10 -0.95 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 1x5t s ILE 8 CO 0.43 0.09 0.06 0.12 0.24 0.00 0.00 174.94 175.89 1x5t s PHE 9 N -0.68 3.25 -0.03 1.37 5.36 -0.76 -2.14 117.98 124.35 1x5t s PHE 9 Ca 0.03 0.08 0.07 0.00 -0.96 0.00 0.00 56.93 56.15 1x5t s PHE 9 Cb -0.07 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 1x5t s PHE 9 CO 0.01 0.18 -0.25 0.42 -1.46 0.00 0.00 175.22 174.12 1x5t s ILE 10 N 0.27 2.13 0.19 3.12 1.01 -0.61 -2.01 121.20 125.31 1x5t s ILE 10 Ca 0.03 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1x5t s ILE 10 Cb -0.12 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1x5t s ILE 10 CO 0.00 0.58 -0.00 -0.83 0.00 0.00 0.00 174.94 174.69 1x5t s GLY 11 N -0.52 1.34 -0.87 6.18 0.00 -1.19 -0.13 107.32 112.14 1x5t s GLY 11 Ca 0.07 -1.65 -0.02 0.00 0.00 0.00 0.00 44.72 43.11 1x5t s GLY 11 CO 0.00 -1.58 0.74 -2.01 0.00 0.00 0.00 173.10 170.26 1x5t n ASN 12 N -0.30 -3.84 -4.74 1.64 5.15 0.25 -3.05 115.26 110.37 1x5t n ASN 12 Ca -0.06 -0.51 -0.35 0.00 -0.60 0.00 0.00 54.58 53.05 1x5t n ASN 12 Cb 0.63 -4.11 -0.08 0.00 -0.53 0.00 0.00 39.78 35.69 1x5t n ASN 12 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5t s LEU 13 N -5.11 4.13 0.36 1.20 1.43 -0.14 -4.14 118.68 116.41 1x5t s LEU 13 Ca 0.18 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1x5t s LEU 13 Cb -0.02 -2.04 -0.11 0.00 0.03 0.00 0.00 46.19 44.04 1x5t s LEU 13 CO 0.57 0.24 1.50 -0.67 0.23 0.00 0.00 176.35 178.22 1x5t n ASP 14 N 3.11 3.78 0.00 2.29 2.03 -1.26 -4.72 116.55 121.78 1x5t n ASP 14 Ca -0.17 1.21 0.08 0.00 0.52 0.00 0.00 54.79 56.43 1x5t n ASP 14 Cb 0.53 -1.61 0.43 0.00 -0.72 0.00 0.00 41.12 39.74 1x5t n ASP 14 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5t n PRO 15 N 0.77 0.39 0.00 -0.67 -0.04 -1.26 -1.90 135.00 132.28 1x5t n PRO 15 Ca 0.03 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1x5t n PRO 15 Cb 0.38 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1x5t n PRO 15 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x5t n GLU 16 N -1.10 0.69 -3.21 0.54 0.28 -1.26 -4.93 120.64 111.65 1x5t n GLU 16 Ca 0.10 -0.52 -0.34 0.00 -0.16 0.00 0.00 57.16 56.24 1x5t n GLU 16 Cb 0.08 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1x5t s ILE 17 N -2.67 4.72 0.24 3.84 1.01 -0.80 -5.09 121.20 122.45 1x5t s ILE 17 Ca 0.17 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.83 1x5t s ILE 17 Cb 0.18 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1x5t s ILE 17 CO 0.64 -0.02 -0.14 -0.62 0.00 0.00 0.00 174.94 174.80 1x5t s ASP 18 N -2.08 2.85 0.35 3.58 -1.08 -1.26 -5.01 116.67 114.02 1x5t s ASP 18 Ca 0.48 -1.06 0.12 0.00 -0.52 0.00 0.00 52.55 51.58 1x5t s ASP 18 Cb -0.12 -0.18 0.94 0.00 -1.46 0.00 0.00 42.92 42.09 1x5t s ASP 18 CO 0.19 -0.16 1.76 -0.33 0.52 0.00 0.00 175.17 177.15 1x5t h GLU 19 N 2.43 0.54 0.18 4.34 5.08 -1.98 -0.63 114.58 124.54 1x5t h GLU 19 Ca -0.39 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1x5t h GLU 19 Cb 1.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1x5t h GLU 19 CO 0.63 0.35 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.64 1x5t h LYS 20 N 0.55 -0.31 0.21 2.33 1.63 -1.95 -2.13 116.57 116.89 1x5t h LYS 20 Ca 0.61 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.42 1x5t h LYS 20 Cb 1.25 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1x5t h LYS 20 CO -0.38 -0.21 -0.16 1.25 -3.45 0.00 0.00 179.45 176.50 1x5t h LEU 21 N -0.32 -0.43 -0.89 5.20 5.85 -1.54 -3.03 115.31 120.14 1x5t h LEU 21 Ca -0.01 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1x5t h LEU 21 Cb 0.28 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.32 1x5t h LEU 21 CO -0.00 -0.23 -0.44 0.18 -0.34 0.00 0.00 178.44 177.60 1x5t n LEU 22 N -3.29 -0.77 -0.35 2.25 4.77 -0.87 0.04 117.00 118.78 1x5t n LEU 22 Ca -0.04 1.57 0.00 0.00 -0.03 0.00 0.00 56.01 57.51 1x5t n LEU 22 Cb 0.16 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 1x5t n LEU 22 CO 0.10 -1.34 0.55 0.00 -1.33 0.00 0.00 177.39 175.37 1x5t n TYR 23 N -5.21 0.08 0.09 -1.77 9.36 -0.80 -0.44 117.16 118.46 1x5t n TYR 23 Ca 0.05 1.14 -0.10 0.00 3.32 0.00 0.00 57.90 62.31 1x5t n TYR 23 Cb 0.29 -0.88 -0.07 0.00 -0.63 0.00 0.00 39.34 38.05 1x5t n TYR 23 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1x5t h ASP 24 N 0.00 -0.25 -1.32 2.98 3.58 -0.28 0.29 116.42 121.43 1x5t h ASP 24 Ca 0.34 -0.27 0.47 0.00 0.42 0.00 0.00 57.03 57.99 1x5t h ASP 24 Cb 0.57 0.06 -0.15 0.00 1.72 0.00 0.00 39.33 41.54 1x5t h ASP 24 CO -0.93 0.27 0.83 0.41 -2.88 0.00 0.00 179.24 176.94 1x5t n THR 25 N -4.98 -0.29 -0.04 2.25 -1.04 0.71 0.21 114.28 111.10 1x5t n THR 25 Ca -0.08 1.86 -0.18 0.00 -2.04 0.00 0.00 64.05 63.61 1x5t n THR 25 Cb 0.25 -3.04 -0.14 0.00 -1.82 0.00 0.00 70.33 65.59 1x5t n THR 25 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x5t n PHE 26 N -4.83 0.81 -0.40 -1.42 3.01 0.42 -4.24 117.46 110.81 1x5t n PHE 26 Ca 0.40 0.19 0.33 0.00 1.01 0.00 0.00 57.45 59.39 1x5t n PHE 26 Cb 1.53 -1.11 0.61 0.00 -0.01 0.00 0.00 39.48 40.49 1x5t n PHE 26 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5t h SER 27 N 0.04 0.31 -0.56 4.37 0.87 0.36 0.42 113.55 119.35 1x5t h SER 27 Ca -0.46 0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.35 1x5t h SER 27 Cb 2.01 0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 64.02 1x5t h SER 27 CO 0.04 -0.21 -0.46 0.00 -0.53 0.00 0.00 176.83 175.66 1x5t h ALA 28 N 1.71 -0.42 0.22 6.23 0.00 -1.60 -2.88 119.26 122.53 1x5t h ALA 28 Ca 0.80 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.79 1x5t h ALA 28 Cb 2.34 1.00 -0.00 0.00 0.00 0.00 0.00 17.79 21.13 1x5t h ALA 28 CO -0.51 -0.87 -0.13 0.74 0.00 0.00 0.00 179.25 178.48 1x5t h PHE 29 N -0.25 -0.35 -3.70 0.00 0.04 -1.18 -3.47 116.94 108.03 1x5t h PHE 29 Ca 0.16 -0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.68 1x5t h PHE 29 Cb 0.56 0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.78 1x5t h PHE 29 CO -0.72 -0.20 -0.22 0.41 -0.60 0.00 0.00 178.31 176.98 1x5t n GLY 30 N -1.17 3.65 3.78 -1.45 0.00 -1.09 -5.03 105.19 103.89 1x5t n GLY 30 Ca -0.04 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1x5t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5t s VAL 31 N -2.37 5.13 0.12 1.61 1.01 -1.26 -4.03 120.40 120.60 1x5t s VAL 31 Ca 0.12 0.82 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 1x5t s VAL 31 Cb 0.01 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 1x5t s VAL 31 CO 0.09 0.47 0.65 -0.63 0.00 0.00 0.00 175.10 175.68 1x5t s ILE 32 N -0.32 4.59 0.04 2.22 1.01 -1.26 -1.77 121.20 125.71 1x5t s ILE 32 Ca 0.23 1.40 -0.22 0.00 0.00 0.00 0.00 60.65 62.06 1x5t s ILE 32 Cb -0.16 -3.99 -0.15 0.00 0.01 0.00 0.00 42.46 38.18 1x5t s ILE 32 CO 0.11 0.52 1.43 -0.07 0.00 0.00 0.00 174.94 176.93 1x5t h LEU 33 N 4.39 0.19 -7.45 2.97 3.38 -1.76 -3.45 115.31 113.57 1x5t h LEU 33 Ca -0.49 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 1x5t h LEU 33 Cb 1.21 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.80 1x5t h LEU 33 CO 0.64 0.50 0.08 0.00 0.09 0.00 0.00 178.44 179.75 1x5t s GLN 34 N -4.78 1.32 0.04 1.13 -2.07 -1.26 -4.72 119.66 109.32 1x5t s GLN 34 Ca -0.15 -0.73 -0.34 0.00 -1.82 0.00 0.00 55.36 52.32 1x5t s GLN 34 Cb 0.05 0.54 -0.18 0.00 -1.09 0.00 0.00 33.01 32.33 1x5t s GLN 34 CO 0.71 -0.56 0.87 2.41 -1.32 0.00 0.00 175.29 177.39 1x5t n THR 35 N -0.34 0.43 -1.18 3.63 -1.04 -1.26 -4.82 114.28 109.70 1x5t n THR 35 Ca -0.13 -0.11 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1x5t n THR 35 Cb 0.63 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 69.31 1x5t n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1x5t s PRO 36 N -0.22 0.68 -0.01 -2.82 0.04 -1.26 -5.00 135.00 126.41 1x5t s PRO 36 Ca 0.78 0.61 0.03 0.00 0.04 0.00 0.00 61.00 62.46 1x5t s PRO 36 Cb -1.09 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 1x5t s PRO 36 CO 0.52 -2.58 -0.10 0.21 0.04 0.00 0.00 177.00 175.09 1x5t s LYS 37 N -4.96 0.85 -0.12 4.56 2.47 -0.88 -4.95 119.74 116.71 1x5t s LYS 37 Ca 0.65 -0.34 0.02 0.00 -1.56 0.00 0.00 55.97 54.74 1x5t s LYS 37 Cb -0.18 -0.82 -0.01 0.00 -1.46 0.00 0.00 37.83 35.36 1x5t s LYS 37 CO 0.57 0.18 -0.19 0.42 0.16 0.00 0.00 175.35 176.50 1x5t s ILE 38 N -0.10 2.52 -0.13 5.43 1.01 -1.26 -0.29 121.20 128.37 1x5t s ILE 38 Ca 0.02 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 1x5t s ILE 38 Cb -0.05 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1x5t s ILE 38 CO -0.00 0.54 1.29 -0.04 0.00 0.00 0.00 174.94 176.73 1x5t s MET 39 N 0.38 4.25 0.21 2.79 -1.94 -0.52 -4.95 119.30 119.52 1x5t s MET 39 Ca -0.14 1.73 0.10 0.00 -1.71 0.00 0.00 55.69 55.66 1x5t s MET 39 Cb -0.17 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 32.90 1x5t s MET 39 CO 0.07 -0.66 -0.12 1.03 -0.01 0.00 0.00 175.02 175.33 1x5t s ARG 40 N 3.23 1.95 0.32 2.03 0.52 -1.26 -0.73 118.95 125.01 1x5t s ARG 40 Ca 0.57 -1.40 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 1x5t s ARG 40 Cb -0.24 -2.05 -0.10 0.00 0.52 0.00 0.00 34.95 33.08 1x5t s ARG 40 CO 0.18 0.40 1.19 0.34 0.02 0.00 0.00 175.30 177.44 1x5t s ASP 41 N -3.03 6.95 0.00 0.23 2.15 -1.26 -4.71 116.67 116.99 1x5t s ASP 41 Ca 0.26 2.45 0.15 0.00 0.43 0.00 0.00 52.55 55.84 1x5t s ASP 41 Cb -0.08 -2.63 0.82 0.00 -0.30 0.00 0.00 42.92 40.73 1x5t s ASP 41 CO 0.15 -0.39 1.38 -0.81 -0.17 0.00 0.00 175.17 175.33 1x5t n PRO 42 N 0.85 0.32 0.00 4.34 -0.04 -1.26 -0.51 135.00 138.70 1x5t n PRO 42 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1x5t n PRO 42 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x5t n ASP 43 N -1.17 0.00 0.12 3.54 8.00 -1.26 -4.76 116.55 121.02 1x5t n ASP 43 Ca 0.09 0.06 -0.20 0.00 0.71 0.00 0.00 54.79 55.45 1x5t n ASP 43 Cb 0.09 -0.40 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 1x5t n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5t h THR 44 N 0.00 1.39 -2.67 -3.53 1.03 -1.98 -3.48 112.91 103.67 1x5t h THR 44 Ca 0.00 -2.89 -0.26 0.00 -0.01 0.00 0.00 66.41 63.25 1x5t h THR 44 Cb 0.00 2.99 0.02 0.00 -1.07 0.00 0.00 68.15 70.09 1x5t h THR 44 CO 0.00 0.85 -0.37 0.61 -0.01 0.00 0.00 175.52 176.60 1x5t n GLY 45 N 1.62 -0.12 0.19 2.99 0.00 0.33 -4.94 105.19 105.28 1x5t n GLY 45 Ca -0.13 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1x5t n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5t n ASN 46 N -0.83 1.84 -3.32 1.61 2.85 -1.26 -4.85 115.26 111.29 1x5t n ASN 46 Ca -0.10 0.31 0.02 0.00 -0.11 0.00 0.00 54.58 54.71 1x5t n ASN 46 Cb 0.59 -0.74 -0.04 0.00 1.24 0.00 0.00 39.78 40.83 1x5t n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1x5t s SER 47 N -6.83 -0.29 -0.07 1.20 0.15 -1.26 -4.93 113.70 101.67 1x5t s SER 47 Ca -0.33 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 1x5t s SER 47 Cb 0.10 1.31 -0.11 0.00 -1.71 0.00 0.00 66.02 65.61 1x5t s SER 47 CO 0.43 -0.06 0.56 0.50 1.20 0.00 0.00 173.24 175.87 1x5t h LYS 48 N 7.06 -0.19 0.00 5.44 1.63 -1.21 -3.42 116.57 125.88 1x5t h LYS 48 Ca -0.16 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1x5t h LYS 48 Cb 1.13 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1x5t h LYS 48 CO 0.09 0.14 0.00 0.41 -3.45 0.00 0.00 179.45 176.64 1x5t n GLY 49 N 1.02 0.55 3.31 5.01 0.00 -1.25 -4.95 105.19 108.88 1x5t n GLY 49 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1x5t n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5t s TYR 50 N 0.00 1.81 0.25 1.61 1.13 -1.26 -0.58 117.35 120.30 1x5t s TYR 50 Ca 0.00 -0.44 0.01 0.00 -1.41 0.00 0.00 57.07 55.24 1x5t s TYR 50 Cb 0.00 -0.95 -0.05 0.00 -1.10 0.00 0.00 41.96 39.85 1x5t s TYR 50 CO 0.00 0.26 0.08 0.00 -2.51 0.00 0.00 175.55 173.38 1x5t s ALA 51 N -1.54 1.69 -0.07 9.51 0.00 0.82 -1.44 121.76 130.73 1x5t s ALA 51 Ca 0.10 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.25 1x5t s ALA 51 Cb -0.08 0.96 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1x5t s ALA 51 CO 0.05 -0.43 -0.12 -0.06 0.00 0.00 0.00 175.76 175.20 1x5t s PHE 52 N -3.72 1.49 -0.00 0.00 0.40 0.60 -1.57 117.98 115.17 1x5t s PHE 52 Ca 0.36 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1x5t s PHE 52 Cb 0.08 -1.11 -0.00 0.00 0.51 0.00 0.00 43.02 42.49 1x5t s PHE 52 CO 0.12 -0.32 -0.02 0.42 0.70 0.00 0.00 175.22 176.13 1x5t s ILE 53 N 0.81 0.16 -0.08 0.64 1.01 -0.91 -2.08 121.20 120.75 1x5t s ILE 53 Ca -0.12 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1x5t s ILE 53 Cb -0.15 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 1x5t s ILE 53 CO 0.02 0.03 -0.21 0.20 0.00 0.00 0.00 174.94 174.99 1x5t s ASN 54 N -0.08 3.42 0.49 3.58 -0.87 -1.26 -0.13 114.94 120.09 1x5t s ASN 54 Ca 0.00 -0.44 0.05 0.00 -1.57 0.00 0.00 52.86 50.91 1x5t s ASN 54 Cb -0.01 -1.13 0.03 0.00 -0.02 0.00 0.00 41.25 40.12 1x5t s ASN 54 CO -0.00 0.22 0.68 -0.36 -2.57 0.00 0.00 177.10 175.08 1x5t s PHE 55 N -0.03 2.72 0.07 2.20 0.40 -1.23 -2.71 117.98 119.40 1x5t s PHE 55 Ca -0.06 -0.25 -0.31 0.00 -0.60 0.00 0.00 56.93 55.71 1x5t s PHE 55 Cb -0.15 -2.55 -0.18 0.00 0.51 0.00 0.00 43.02 40.65 1x5t s PHE 55 CO 0.05 -0.70 1.64 0.00 0.70 0.00 0.00 175.22 176.91 1x5t h ALA 56 N 0.33 -0.72 -2.55 5.36 0.00 -1.66 -3.42 119.26 116.60 1x5t h ALA 56 Ca -0.40 -0.16 -0.39 0.00 0.00 0.00 0.00 54.91 53.96 1x5t h ALA 56 Cb 1.29 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 1x5t h ALA 56 CO 0.48 -0.90 -0.55 -1.12 0.00 0.00 0.00 179.25 177.15 1x5t s SER 57 N -4.57 1.27 0.21 0.00 0.01 -1.26 -4.51 113.70 104.86 1x5t s SER 57 Ca -0.17 -1.58 -0.09 0.00 1.31 0.00 0.00 55.95 55.43 1x5t s SER 57 Cb 0.04 0.43 0.17 0.00 0.21 0.00 0.00 66.02 66.87 1x5t s SER 57 CO 0.63 -0.92 1.84 -0.26 0.41 0.00 0.00 173.24 174.94 1x5t h PHE 58 N 2.28 1.07 -0.99 2.43 -1.00 -1.90 -2.49 116.94 116.35 1x5t h PHE 58 Ca -0.32 -0.01 0.30 0.00 2.81 0.00 0.00 57.97 60.75 1x5t h PHE 58 Cb 1.25 -0.35 -0.15 0.00 3.61 0.00 0.00 35.95 40.31 1x5t h PHE 58 CO 1.06 0.73 0.52 0.22 -1.61 0.00 0.00 178.31 179.24 1x5t h ASP 59 N 1.09 0.46 -0.09 2.17 3.58 -1.99 0.25 116.42 121.89 1x5t h ASP 59 Ca 0.28 0.19 -0.08 0.00 0.42 0.00 0.00 57.03 57.84 1x5t h ASP 59 Cb -0.00 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.19 1x5t h ASP 59 CO -0.05 -0.11 -0.24 0.00 -2.88 0.00 0.00 179.24 175.96 1x5t h ALA 60 N 1.83 0.16 -0.76 -0.78 0.00 -1.85 -3.14 119.26 114.71 1x5t h ALA 60 Ca 0.70 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1x5t h ALA 60 Cb 1.54 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1x5t h ALA 60 CO -0.60 0.14 0.50 0.66 0.00 0.00 0.00 179.25 179.95 1x5t h SER 61 N -0.13 0.80 0.09 0.00 4.64 -0.60 -2.60 113.55 115.75 1x5t h SER 61 Ca -0.00 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1x5t h SER 61 Cb 0.85 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1x5t h SER 61 CO 0.05 0.55 -0.12 -0.78 -0.87 0.00 0.00 176.83 175.66 1x5t h ASP 62 N 0.92 -0.33 -0.41 4.97 3.58 -0.65 -1.73 116.42 122.77 1x5t h ASP 62 Ca 0.30 0.04 0.08 0.00 0.42 0.00 0.00 57.03 57.87 1x5t h ASP 62 Cb 0.05 0.12 -0.09 0.00 1.72 0.00 0.00 39.33 41.13 1x5t h ASP 62 CO -0.09 -0.18 -0.32 0.00 -2.88 0.00 0.00 179.24 175.77 1x5t h ALA 63 N 0.63 -0.15 0.24 -0.78 0.00 -1.42 -0.50 119.26 117.27 1x5t h ALA 63 Ca 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1x5t h ALA 63 Cb 0.26 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1x5t h ALA 63 CO -0.05 -0.71 -0.19 0.00 0.00 0.00 0.00 179.25 178.29 1x5t h ALA 64 N 0.80 -0.96 -0.63 0.00 0.00 -1.41 0.13 119.26 117.19 1x5t h ALA 64 Ca 0.18 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1x5t h ALA 64 Cb 0.53 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1x5t h ALA 64 CO -0.54 -0.96 0.91 0.82 0.00 0.00 0.00 179.25 179.47 1x5t h ILE 65 N -0.42 0.09 0.00 0.00 2.04 -1.10 1.77 117.51 119.90 1x5t h ILE 65 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1x5t h ILE 65 Cb 0.35 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1x5t h ILE 65 CO -0.00 0.00 -0.43 -0.08 0.00 0.00 0.00 178.15 177.64 1x5t h GLU 66 N 0.00 0.00 0.00 2.37 4.81 -0.12 -3.34 114.58 118.30 1x5t h GLU 66 Ca 0.30 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1x5t h GLU 66 Cb 2.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.47 1x5t h GLU 66 CO -0.00 0.97 -1.23 0.00 -0.73 0.00 0.00 179.01 178.02 1x5t n ALA 67 N -2.89 0.92 -0.38 2.92 0.00 0.96 -4.44 120.51 117.59 1x5t n ALA 67 Ca -0.17 -0.85 0.37 0.00 0.00 0.00 0.00 53.44 52.79 1x5t n ALA 67 Cb 0.54 0.04 0.75 0.00 0.00 0.00 0.00 19.45 20.78 1x5t n ALA 67 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x5t h MET 68 N -1.00 0.02 -5.34 0.00 2.86 0.23 -3.24 114.93 108.46 1x5t h MET 68 Ca -0.11 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 1x5t h MET 68 Cb 1.08 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1x5t h MET 68 CO -0.07 0.01 0.39 1.21 1.06 0.00 0.00 176.91 179.51 1x5t s ASN 69 N -4.97 4.16 0.00 1.22 2.47 -0.52 -1.67 114.94 115.62 1x5t s ASN 69 Ca -0.05 -0.86 0.00 0.00 0.42 0.00 0.00 52.86 52.37 1x5t s ASN 69 Cb 0.24 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1x5t s ASN 69 CO 0.82 -3.87 0.00 0.61 -3.72 0.00 0.00 177.10 170.94 1x5t n GLY 70 N 6.33 1.12 2.89 1.21 0.00 -0.79 -4.89 105.19 111.06 1x5t n GLY 70 Ca 0.43 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.93 1x5t n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5t n GLN 71 N 0.00 0.00 -1.94 1.61 1.13 -0.67 -4.36 117.38 113.14 1x5t n GLN 71 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 1x5t n GLN 71 Cb 0.00 -1.16 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1x5t s TYR 72 N 2.37 1.57 0.71 1.08 5.04 -1.26 -3.00 117.35 123.86 1x5t s TYR 72 Ca 0.81 0.90 -0.04 0.00 -2.44 0.00 0.00 57.07 56.31 1x5t s TYR 72 Cb -1.16 -4.00 0.10 0.00 0.35 0.00 0.00 41.96 37.25 1x5t s TYR 72 CO 0.63 -2.47 1.00 -1.17 -1.34 0.00 0.00 175.55 172.20 1x5t s LEU 73 N 9.31 2.96 -0.61 6.97 2.96 -0.66 -4.83 118.68 134.78 1x5t s LEU 73 Ca 0.75 -0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 54.59 1x5t s LEU 73 Cb -0.15 -2.49 -0.20 0.00 0.50 0.00 0.00 46.19 43.85 1x5t s LEU 73 CO 0.24 -1.77 1.35 0.00 -1.32 0.00 0.00 176.35 174.85 1x5t n ASN 75 N 3.68 0.27 -3.15 0.00 2.85 -1.26 -4.56 115.26 113.09 1x5t n ASN 75 Ca 0.41 -1.23 0.05 0.00 -0.11 0.00 0.00 54.58 53.70 1x5t n ASN 75 Cb 0.08 -1.54 -0.01 0.00 1.24 0.00 0.00 39.78 39.54 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x5t s ARG 76 N -7.21 0.27 -0.39 1.20 0.52 0.16 -4.93 118.95 108.58 1x5t s ARG 76 Ca 0.20 0.48 -0.28 0.00 -0.52 0.00 0.00 55.73 55.61 1x5t s ARG 76 Cb -0.12 0.27 -0.01 0.00 0.52 0.00 0.00 34.95 35.61 1x5t s ARG 76 CO 0.98 -0.30 1.73 -1.25 0.02 0.00 0.00 175.30 176.47 1x5t s PRO 77 N 2.93 3.28 0.72 3.54 0.04 -1.26 -1.66 135.00 142.59 1x5t s PRO 77 Ca 0.04 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1x5t s PRO 77 Cb -0.11 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1x5t s PRO 77 CO -0.13 -1.93 1.08 0.96 0.04 0.00 0.00 177.00 177.01 1x5t s ILE 78 N 6.92 3.65 -0.14 0.56 -4.36 -1.16 -4.72 121.20 121.94 1x5t s ILE 78 Ca 0.74 0.53 -0.04 0.00 -0.26 0.00 0.00 60.65 61.62 1x5t s ILE 78 Cb -0.19 -3.42 0.06 0.00 1.25 0.00 0.00 42.46 40.16 1x5t s ILE 78 CO 0.31 -0.70 0.13 0.42 0.24 0.00 0.00 174.94 175.35 1x5t s THR 79 N -3.22 -0.19 -0.19 8.37 -4.23 -1.17 -1.88 115.64 113.13 1x5t s THR 79 Ca 0.58 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.99 1x5t s THR 79 Cb -0.12 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1x5t s THR 79 CO 0.53 -0.11 0.35 -0.69 -0.54 0.00 0.00 174.62 174.17 1x5t s VAL 80 N 2.22 5.24 -0.11 2.29 1.01 -1.26 -3.15 120.40 126.63 1x5t s VAL 80 Ca 0.04 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1x5t s VAL 80 Cb -0.15 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1x5t s VAL 80 CO -0.08 0.29 0.24 -0.94 0.00 0.00 0.00 175.10 174.62 1x5t s SER 81 N 0.90 0.05 -0.32 3.32 1.04 -0.85 -4.70 113.70 113.15 1x5t s SER 81 Ca 0.18 0.53 -0.41 0.00 0.48 0.00 0.00 55.95 56.73 1x5t s SER 81 Cb -0.14 0.50 -0.18 0.00 0.10 0.00 0.00 66.02 66.30 1x5t s SER 81 CO 0.07 -0.20 1.31 -1.22 0.98 0.00 0.00 173.24 174.18 1x5t n TYR 82 N 4.74 1.29 -0.09 5.02 4.01 -1.26 -1.83 117.16 129.05 1x5t n TYR 82 Ca -0.16 1.02 -0.06 0.00 -0.16 0.00 0.00 57.90 58.53 1x5t n TYR 82 Cb 0.51 -1.99 -0.00 0.00 -0.31 0.00 0.00 39.34 37.56 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t h ALA 83 N 4.00 0.02 -2.92 -0.72 0.00 -1.79 -3.44 119.26 114.41 1x5t h ALA 83 Ca -0.42 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1x5t h ALA 83 Cb 1.26 0.48 -0.24 0.00 0.00 0.00 0.00 17.79 19.29 1x5t h ALA 83 CO 0.80 -0.59 -0.38 0.12 0.00 0.00 0.00 179.25 179.20 1x5t s PHE 84 N -6.12 -0.25 0.00 0.00 2.19 -1.26 -4.96 117.98 107.57 1x5t s PHE 84 Ca -0.14 0.58 0.00 0.00 0.33 0.00 0.00 56.93 57.70 1x5t s PHE 84 Cb 0.14 0.09 -0.00 0.00 -1.31 0.00 0.00 43.02 41.93 1x5t s PHE 84 CO 0.69 -0.21 -0.01 0.21 1.83 0.00 0.00 175.22 177.74 1x5t s LYS 85 N -0.26 0.06 -0.28 10.12 2.20 -1.26 -4.96 119.74 125.35 1x5t s LYS 85 Ca -0.04 -0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 55.39 1x5t s LYS 85 Cb -0.03 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 1x5t s LYS 85 CO 0.01 -0.00 0.11 0.15 -0.36 0.00 0.00 175.35 175.26 1x5t s LYS 86 N -0.22 3.46 -0.23 4.03 -0.14 -1.26 -5.04 119.74 120.33 1x5t s LYS 86 Ca -0.02 -0.62 -0.40 0.00 -1.36 0.00 0.00 55.97 53.57 1x5t s LYS 86 Cb -0.02 -3.45 -0.16 0.00 -1.68 0.00 0.00 37.83 32.52 1x5t s LYS 86 CO -0.00 -0.32 1.69 -0.40 -0.76 0.00 0.00 175.35 175.56 1x5t n ASP 87 N 4.95 2.28 -4.94 2.83 5.75 -1.26 -4.94 116.55 121.21 1x5t n ASP 87 Ca -0.15 1.08 -0.24 0.00 -0.01 0.00 0.00 54.79 55.47 1x5t n ASP 87 Cb 0.50 -1.14 0.03 0.00 -1.03 0.00 0.00 41.12 39.48 1x5t n ASP 87 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x5t s SER 88 N 3.13 5.45 -0.02 -1.12 0.01 -1.26 -5.07 113.70 114.82 1x5t s SER 88 Ca 0.97 0.37 -0.19 0.00 1.31 0.00 0.00 55.95 58.40 1x5t s SER 88 Cb -1.06 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1x5t s SER 88 CO 0.63 -1.07 0.53 -0.75 0.41 0.00 0.00 173.24 172.99 1x5t s LYS 89 N -4.85 4.24 0.00 12.44 2.36 -1.26 -4.95 119.74 127.71 1x5t s LYS 89 Ca 0.54 0.61 0.00 0.00 -2.55 0.00 0.00 55.97 54.57 1x5t s LYS 89 Cb -0.10 -3.33 0.00 0.00 -1.05 0.00 0.00 37.83 33.35 1x5t s LYS 89 CO 0.41 0.41 0.00 0.41 1.55 0.00 0.00 175.35 178.13 1x5t n GLY 90 N 2.43 -0.58 0.12 5.54 0.00 -1.26 -5.08 105.19 106.37 1x5t n GLY 90 Ca -0.09 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 1x5t n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5t h SER 91 N 0.00 -0.14 -3.09 1.61 0.02 -2.07 -3.50 113.55 106.38 1x5t h SER 91 Ca 0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1x5t h SER 91 Cb 0.00 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1x5t h SER 91 CO 0.00 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.76 1x5t n GLY 92 N 0.75 2.65 3.58 -3.77 0.00 -1.26 -4.96 105.19 102.18 1x5t n GLY 92 Ca -0.08 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1x5t n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5t s PRO 93 N -4.38 3.14 0.13 1.61 0.04 -1.26 -4.98 135.00 129.30 1x5t s PRO 93 Ca 0.00 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.19 1x5t s PRO 93 Cb 0.00 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.27 1x5t s PRO 93 CO 0.00 -2.09 -0.16 0.45 0.04 0.00 0.00 177.00 175.24 1x5t s SER 94 N 6.38 2.22 -0.13 6.66 0.15 -1.26 -5.06 113.70 122.65 1x5t s SER 94 Ca 0.73 -0.79 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1x5t s SER 94 Cb -0.18 -0.10 -0.07 0.00 -1.71 0.00 0.00 66.02 63.96 1x5t s SER 94 CO 0.29 -0.09 -0.15 -0.24 1.20 0.00 0.00 173.24 174.26 1x5t n SER 95 N 0.60 1.89 0.00 5.45 2.88 -1.26 -5.29 113.62 117.88 1x5t n SER 95 Ca -0.16 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1x5t n SER 95 Cb 0.56 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42