#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 7.35 0.25 1.61 0.01 -1.26 -5.06 113.70 116.60 1x5t s SER 2 Ca 0.00 1.61 -0.00 0.00 1.31 0.00 0.00 55.95 58.86 1x5t s SER 2 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1x5t s SER 2 CO 0.00 -0.00 0.44 -0.94 0.41 0.00 0.00 173.24 173.15 1x5t s SER 3 N -0.13 6.37 -0.60 2.44 1.04 -1.26 -4.97 113.70 116.59 1x5t s SER 3 Ca 0.42 0.42 -0.32 0.00 0.48 0.00 0.00 55.95 56.95 1x5t s SER 3 Cb -0.22 -2.02 -0.14 0.00 0.10 0.00 0.00 66.02 63.74 1x5t s SER 3 CO 0.26 -0.12 2.41 0.61 0.98 0.00 0.00 173.24 177.38 1x5t n GLY 4 N -1.02 0.06 3.67 7.32 0.00 -1.26 -4.91 105.19 109.06 1x5t n GLY 4 Ca -0.05 0.94 -0.28 0.00 0.00 0.00 0.00 46.02 46.64 1x5t n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5t s SER 5 N 9.05 4.07 -0.98 1.61 0.15 -1.26 -5.07 113.70 121.27 1x5t s SER 5 Ca 1.16 -1.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 1x5t s SER 5 Cb -0.85 -0.30 0.13 0.00 -1.71 0.00 0.00 66.02 63.29 1x5t s SER 5 CO 0.44 -0.53 1.20 -0.94 1.20 0.00 0.00 173.24 174.61 1x5t s SER 6 N -3.79 6.69 1.31 5.45 1.04 -1.26 -5.02 113.70 118.11 1x5t s SER 6 Ca 0.33 -2.15 -0.20 0.00 0.48 0.00 0.00 55.95 54.41 1x5t s SER 6 Cb 0.07 -2.41 0.31 0.00 0.10 0.00 0.00 66.02 64.09 1x5t s SER 6 CO 0.18 -1.05 0.71 0.61 0.98 0.00 0.00 173.24 174.67 1x5t n GLY 7 N 5.38 -3.32 2.87 7.32 0.00 -1.26 -4.54 105.19 111.65 1x5t n GLY 7 Ca 0.27 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1x5t n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5t s ILE 8 N -2.13 0.07 -0.09 -0.61 -4.36 0.66 -3.82 121.20 110.93 1x5t s ILE 8 Ca 0.58 -0.01 -0.13 0.00 -0.26 0.00 0.00 60.65 60.83 1x5t s ILE 8 Cb -0.11 -0.08 -0.05 0.00 1.25 0.00 0.00 42.46 43.46 1x5t s ILE 8 CO 0.50 0.03 0.32 0.12 0.24 0.00 0.00 174.94 176.16 1x5t s PHE 9 N 0.14 3.60 0.01 1.37 5.36 -0.65 -2.19 117.98 125.62 1x5t s PHE 9 Ca -0.01 0.76 0.03 0.00 -0.96 0.00 0.00 56.93 56.75 1x5t s PHE 9 Cb -0.02 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.39 1x5t s PHE 9 CO -0.00 0.49 -0.10 0.42 -1.46 0.00 0.00 175.22 174.57 1x5t s ILE 10 N -0.44 0.81 0.14 3.12 1.01 -0.69 -2.03 121.20 123.13 1x5t s ILE 10 Ca 0.20 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1x5t s ILE 10 Cb -0.14 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1x5t s ILE 10 CO 0.08 0.08 0.16 -0.83 0.00 0.00 0.00 174.94 174.43 1x5t s GLY 11 N -0.64 0.72 -0.55 6.18 0.00 -1.20 -0.85 107.32 110.98 1x5t s GLY 11 Ca 0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1x5t s GLY 11 CO 0.00 -1.11 0.46 -2.01 0.00 0.00 0.00 173.10 170.44 1x5t n ASN 12 N -0.14 -2.57 -4.75 1.64 5.15 0.75 -2.93 115.26 112.41 1x5t n ASN 12 Ca -0.07 -0.26 -0.36 0.00 -0.60 0.00 0.00 54.58 53.29 1x5t n ASN 12 Cb 0.63 -2.51 -0.07 0.00 -0.53 0.00 0.00 39.78 37.30 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 -3.87 4.27 0.33 1.20 1.43 -0.79 -4.23 118.68 117.03 1x5t s LEU 13 Ca 0.08 0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 53.42 1x5t s LEU 13 Cb -0.03 -2.36 -0.12 0.00 0.03 0.00 0.00 46.19 43.70 1x5t s LEU 13 CO 0.32 0.14 1.27 -0.67 0.23 0.00 0.00 176.35 177.64 1x5t n ASP 14 N 3.32 2.63 0.00 2.29 2.03 -1.26 -4.68 116.55 120.87 1x5t n ASP 14 Ca -0.13 1.20 0.06 0.00 0.52 0.00 0.00 54.79 56.45 1x5t n ASP 14 Cb 0.52 -1.46 0.38 0.00 -0.72 0.00 0.00 41.12 39.83 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 0.63 0.49 0.00 -0.67 -0.04 -1.26 -1.81 135.00 132.34 1x5t n PRO 15 Ca 0.05 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1x5t n PRO 15 Cb 0.35 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1x5t n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5t n GLU 16 N -0.90 1.33 -3.07 0.54 -0.58 -1.26 -4.83 120.64 111.87 1x5t n GLU 16 Ca 0.09 -0.54 -0.36 0.00 -0.42 0.00 0.00 57.16 55.94 1x5t n GLU 16 Cb 0.04 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1x5t s ILE 17 N -2.37 4.55 0.22 -3.67 1.01 -0.75 -5.08 121.20 115.10 1x5t s ILE 17 Ca 0.12 1.30 0.06 0.00 0.00 0.00 0.00 60.65 62.13 1x5t s ILE 17 Cb 0.15 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1x5t s ILE 17 CO 0.58 0.14 -0.09 1.51 0.00 0.00 0.00 174.94 177.08 1x5t s ASP 18 N -1.74 2.38 0.35 3.58 1.47 -1.26 -5.00 116.67 116.45 1x5t s ASP 18 Ca 0.45 -1.09 0.16 0.00 1.18 0.00 0.00 52.55 53.25 1x5t s ASP 18 Cb -0.16 -0.10 1.18 0.00 -0.34 0.00 0.00 42.92 43.50 1x5t s ASP 18 CO 0.21 -0.29 1.61 -0.33 0.68 0.00 0.00 175.17 177.05 1x5t h GLU 19 N 2.51 0.13 0.09 2.11 5.08 -1.98 -0.67 114.58 121.85 1x5t h GLU 19 Ca -0.38 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1x5t h GLU 19 Cb 1.22 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1x5t h GLU 19 CO 0.64 0.09 -0.27 -0.22 -1.00 0.00 0.00 179.01 178.25 1x5t h LYS 20 N 0.13 -0.39 -0.02 2.33 1.63 -1.98 -0.42 116.57 117.85 1x5t h LYS 20 Ca 0.77 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.61 1x5t h LYS 20 Cb 1.91 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.62 1x5t h LYS 20 CO -0.71 -0.26 -0.07 1.25 -3.45 0.00 0.00 179.45 176.20 1x5t h LEU 21 N -0.41 -0.24 -0.85 5.20 5.85 -1.53 -2.15 115.31 121.18 1x5t h LEU 21 Ca -0.01 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1x5t h LEU 21 Cb 0.40 0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.37 1x5t h LEU 21 CO -0.13 -0.07 -0.27 0.18 -0.34 0.00 0.00 178.44 177.82 1x5t n LEU 22 N -2.96 -0.42 -0.20 2.25 4.77 -1.03 0.16 117.00 119.59 1x5t n LEU 22 Ca -0.01 1.47 -0.11 0.00 -0.03 0.00 0.00 56.01 57.33 1x5t n LEU 22 Cb 0.05 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 1x5t n LEU 22 CO 0.01 -1.37 0.53 0.22 -1.33 0.00 0.00 177.39 175.45 1x5t h TYR 23 N 0.00 -1.54 0.41 -1.77 3.20 -0.41 -0.11 116.97 116.75 1x5t h TYR 23 Ca 0.36 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.29 1x5t h TYR 23 Cb 0.57 0.75 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1x5t h TYR 23 CO -0.69 -0.45 -0.20 0.22 -1.64 0.00 0.00 178.16 175.40 1x5t h ASP 24 N -0.28 -0.47 -1.23 -2.11 3.58 -0.18 0.45 116.42 116.19 1x5t h ASP 24 Ca 0.13 -0.10 0.42 0.00 0.42 0.00 0.00 57.03 57.90 1x5t h ASP 24 Cb 0.56 0.12 -0.12 0.00 1.72 0.00 0.00 39.33 41.62 1x5t h ASP 24 CO -0.67 -0.05 0.80 0.41 -2.88 0.00 0.00 179.24 176.85 1x5t n THR 25 N -5.16 -0.20 -0.08 2.25 -1.04 0.12 0.87 114.28 111.04 1x5t n THR 25 Ca -0.09 1.53 -0.17 0.00 -2.04 0.00 0.00 64.05 63.28 1x5t n THR 25 Cb 0.28 -2.50 -0.13 0.00 -1.82 0.00 0.00 70.33 66.15 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 -4.35 0.44 -0.33 -1.42 3.01 -0.08 -4.37 117.46 110.37 1x5t n PHE 26 Ca 0.35 0.11 0.20 0.00 1.01 0.00 0.00 57.45 59.12 1x5t n PHE 26 Cb 1.38 -1.06 0.40 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.02 -0.10 -0.89 4.37 0.87 0.53 0.00 113.55 118.36 1x5t h SER 27 Ca -0.51 0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.40 1x5t h SER 27 Cb 2.00 0.37 -0.11 0.00 -0.44 0.00 0.00 62.40 64.21 1x5t h SER 27 CO -0.01 -0.34 -0.57 0.00 -0.53 0.00 0.00 176.83 175.38 1x5t h ALA 28 N 1.95 -0.56 0.47 6.23 0.00 -1.63 -2.16 119.26 123.56 1x5t h ALA 28 Ca 0.68 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.68 1x5t h ALA 28 Cb 1.56 1.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.66 1x5t h ALA 28 CO -0.82 -0.97 -0.37 0.74 0.00 0.00 0.00 179.25 177.83 1x5t h PHE 29 N -0.07 -1.02 -3.81 0.00 0.04 -1.27 -3.47 116.94 107.34 1x5t h PHE 29 Ca 0.15 -0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.63 1x5t h PHE 29 Cb 0.45 0.38 -0.08 0.00 2.20 0.00 0.00 35.95 38.91 1x5t h PHE 29 CO -0.97 -0.52 -0.28 0.41 -0.60 0.00 0.00 178.31 176.35 1x5t n GLY 30 N -1.44 3.15 3.69 -1.45 0.00 -0.81 -4.96 105.19 103.37 1x5t n GLY 30 Ca -0.10 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.86 5.23 0.28 1.61 1.01 -1.26 -3.87 120.40 120.53 1x5t s VAL 31 Ca 0.25 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 1x5t s VAL 31 Cb 0.01 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 1x5t s VAL 31 CO 0.18 0.29 1.16 -0.63 0.00 0.00 0.00 175.10 176.10 1x5t s ILE 32 N 1.04 3.33 0.16 2.22 1.01 -1.26 -1.26 121.20 126.44 1x5t s ILE 32 Ca 0.19 1.31 -0.09 0.00 0.00 0.00 0.00 60.65 62.05 1x5t s ILE 32 Cb -0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 1x5t s ILE 32 CO 0.07 0.30 1.50 -0.07 0.00 0.00 0.00 174.94 176.74 1x5t h LEU 33 N 3.91 0.95 -7.00 2.97 3.38 -1.43 -3.45 115.31 114.65 1x5t h LEU 33 Ca -0.47 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.17 1x5t h LEU 33 Cb 1.21 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1x5t h LEU 33 CO 0.68 1.21 0.48 0.00 0.09 0.00 0.00 178.44 180.90 1x5t s GLN 34 N -4.41 0.82 0.03 1.13 -2.07 -1.26 -4.90 119.66 109.01 1x5t s GLN 34 Ca -0.11 -0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 52.86 1x5t s GLN 34 Cb 0.11 0.38 -0.16 0.00 -1.09 0.00 0.00 33.01 32.26 1x5t s GLN 34 CO 0.87 -0.35 0.77 2.41 -1.32 0.00 0.00 175.29 177.67 1x5t n THR 35 N -0.17 0.30 -2.26 3.63 -1.04 -1.26 -4.72 114.28 108.77 1x5t n THR 35 Ca -0.09 -0.08 -0.38 0.00 -2.04 0.00 0.00 64.05 61.47 1x5t n THR 35 Cb 0.62 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.11 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 -0.15 3.87 -0.24 -2.82 0.04 -1.26 -4.97 135.00 129.46 1x5t s PRO 36 Ca 0.69 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 63.44 1x5t s PRO 36 Cb -0.96 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 1x5t s PRO 36 CO 0.45 -0.47 0.16 0.15 0.04 0.00 0.00 177.00 177.33 1x5t s LYS 37 N -2.54 4.06 -0.17 4.56 3.01 -0.79 -4.95 119.74 122.92 1x5t s LYS 37 Ca 0.61 -0.28 -0.00 0.00 -1.01 0.00 0.00 55.97 55.29 1x5t s LYS 37 Cb -0.30 -3.54 -0.00 0.00 -1.01 0.00 0.00 37.83 32.98 1x5t s LYS 37 CO 0.37 0.05 -0.14 0.42 0.51 0.00 0.00 175.35 176.56 1x5t s ILE 38 N 1.09 2.72 0.21 2.17 1.01 -1.26 -1.06 121.20 126.08 1x5t s ILE 38 Ca 0.07 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1x5t s ILE 38 Cb -0.14 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.09 1x5t s ILE 38 CO 0.05 0.50 1.04 -0.04 0.00 0.00 0.00 174.94 176.49 1x5t s MET 39 N 0.99 4.69 0.19 2.79 -1.94 -1.18 -5.00 119.30 119.84 1x5t s MET 39 Ca -0.02 1.64 0.01 0.00 -1.71 0.00 0.00 55.69 55.61 1x5t s MET 39 Cb -0.15 -3.27 -0.05 0.00 2.01 0.00 0.00 34.83 33.37 1x5t s MET 39 CO -0.02 0.24 0.05 1.03 -0.01 0.00 0.00 175.02 176.30 1x5t s ARG 40 N -0.75 1.16 -0.23 2.03 0.52 -1.26 -1.50 118.95 118.92 1x5t s ARG 40 Ca 0.46 -1.59 -0.15 0.00 -0.52 0.00 0.00 55.73 53.93 1x5t s ARG 40 Cb -0.28 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.02 1x5t s ARG 40 CO 0.35 -0.22 0.39 0.34 0.02 0.00 0.00 175.30 176.18 1x5t s ASP 41 N -3.19 6.36 0.26 0.23 -1.08 -1.01 -4.81 116.67 113.43 1x5t s ASP 41 Ca 0.29 0.42 0.23 0.00 -0.52 0.00 0.00 52.55 52.98 1x5t s ASP 41 Cb 0.07 -2.22 0.98 0.00 -1.46 0.00 0.00 42.92 40.28 1x5t s ASP 41 CO 0.07 -0.12 1.71 -0.81 0.52 0.00 0.00 175.17 176.53 1x5t n PRO 42 N 4.82 0.19 -0.05 4.34 -0.04 -1.26 0.16 135.00 143.16 1x5t n PRO 42 Ca -0.08 0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 63.77 1x5t n PRO 42 Cb 0.51 -1.87 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.23 1.24 0.02 3.54 9.92 -1.26 -4.65 116.55 123.13 1x5t n ASP 43 Ca 0.02 0.49 -0.18 0.00 -0.53 0.00 0.00 54.79 54.59 1x5t n ASP 43 Cb 0.22 -0.75 -0.12 0.00 -0.64 0.00 0.00 41.12 39.84 1x5t n ASP 43 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 1x5t h THR 44 N -0.68 1.43 -0.75 -3.53 1.35 -2.00 -3.48 112.91 105.25 1x5t h THR 44 Ca 0.00 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 1x5t h THR 44 Cb 0.37 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1x5t h THR 44 CO 0.00 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1x5t n GLY 45 N 1.21 0.85 3.26 5.82 0.00 0.12 -5.03 105.19 111.44 1x5t n GLY 45 Ca -0.11 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1x5t n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5t s ASN 46 N -2.52 2.14 -0.41 1.61 -0.87 -1.25 -4.88 114.94 108.75 1x5t s ASN 46 Ca 0.00 -0.85 -0.27 0.00 -1.57 0.00 0.00 52.86 50.17 1x5t s ASN 46 Cb 0.00 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.25 41.08 1x5t s ASN 46 CO 0.00 -0.14 2.36 -0.24 -2.57 0.00 0.00 177.10 176.51 1x5t n SER 47 N 0.38 2.55 -0.25 -1.22 2.88 -1.26 -2.39 113.62 114.30 1x5t n SER 47 Ca -0.14 -0.23 0.22 0.00 -1.33 0.00 0.00 58.87 57.39 1x5t n SER 47 Cb 0.57 -1.55 0.41 0.00 -0.75 0.00 0.00 64.21 62.90 1x5t n SER 47 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x5t n LYS 48 N 8.89 -0.05 0.00 -1.46 4.76 -0.56 -4.72 118.16 125.01 1x5t n LYS 48 Ca 0.36 1.08 0.00 0.00 -2.87 0.00 0.00 58.31 56.88 1x5t n LYS 48 Cb 0.49 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 1x5t n LYS 48 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5t n GLY 49 N -1.24 1.59 3.21 0.72 0.00 -1.26 -5.02 105.19 103.20 1x5t n GLY 49 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.64 1.91 0.22 1.61 -0.85 -1.26 -0.18 117.35 117.16 1x5t s TYR 50 Ca 0.00 -0.44 0.01 0.00 -0.52 0.00 0.00 57.07 56.13 1x5t s TYR 50 Cb 0.00 -1.25 -0.05 0.00 0.38 0.00 0.00 41.96 41.04 1x5t s TYR 50 CO 0.00 -0.09 0.06 0.00 -1.52 0.00 0.00 175.55 174.00 1x5t s ALA 51 N -0.32 1.55 -0.05 9.51 0.00 -0.03 -3.12 121.76 129.29 1x5t s ALA 51 Ca 0.04 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.27 1x5t s ALA 51 Cb -0.10 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1x5t s ALA 51 CO 0.01 -0.41 -0.12 -0.06 0.00 0.00 0.00 175.76 175.18 1x5t s PHE 52 N -3.74 1.34 0.01 0.00 0.40 -0.22 -1.70 117.98 114.08 1x5t s PHE 52 Ca 0.32 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1x5t s PHE 52 Cb 0.07 -0.98 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 1x5t s PHE 52 CO 0.10 -0.22 -0.11 0.42 0.70 0.00 0.00 175.22 176.11 1x5t s ILE 53 N 0.50 0.83 -0.08 0.64 1.01 -0.93 -1.88 121.20 121.29 1x5t s ILE 53 Ca -0.11 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1x5t s ILE 53 Cb -0.14 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1x5t s ILE 53 CO 0.03 0.07 -0.19 0.20 0.00 0.00 0.00 174.94 175.05 1x5t s ASN 54 N -0.69 3.60 0.33 3.58 -0.87 -1.26 -0.25 114.94 119.39 1x5t s ASN 54 Ca 0.01 -0.38 0.07 0.00 -1.57 0.00 0.00 52.86 50.99 1x5t s ASN 54 Cb -0.06 -1.10 -0.02 0.00 -0.02 0.00 0.00 41.25 40.05 1x5t s ASN 54 CO 0.00 0.24 0.40 -0.36 -2.57 0.00 0.00 177.10 174.82 1x5t s PHE 55 N -0.14 3.04 0.11 2.20 0.08 -1.26 -1.28 117.98 120.73 1x5t s PHE 55 Ca -0.03 -0.25 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 1x5t s PHE 55 Cb -0.14 -1.91 -0.09 0.00 -0.57 0.00 0.00 43.02 40.31 1x5t s PHE 55 CO 0.04 0.07 1.63 0.00 -0.10 0.00 0.00 175.22 176.86 1x5t h ALA 56 N 1.03 -0.52 -2.68 5.36 0.00 -1.49 -3.42 119.26 117.54 1x5t h ALA 56 Ca -0.45 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1x5t h ALA 56 Cb 1.25 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 1x5t h ALA 56 CO 0.55 -0.84 -0.57 0.45 0.00 0.00 0.00 179.25 178.83 1x5t s SER 57 N -4.77 0.72 0.19 0.00 0.15 -1.26 -4.88 113.70 103.84 1x5t s SER 57 Ca -0.16 -1.52 -0.12 0.00 0.70 0.00 0.00 55.95 54.85 1x5t s SER 57 Cb 0.08 0.44 0.16 0.00 -1.71 0.00 0.00 66.02 64.98 1x5t s SER 57 CO 0.65 -0.91 1.80 -0.26 1.20 0.00 0.00 173.24 175.71 1x5t h PHE 58 N 2.44 0.55 -0.88 3.44 -1.00 -1.89 -2.20 116.94 117.40 1x5t h PHE 58 Ca -0.32 0.02 0.23 0.00 2.81 0.00 0.00 57.97 60.71 1x5t h PHE 58 Cb 1.24 -0.17 -0.14 0.00 3.61 0.00 0.00 35.95 40.49 1x5t h PHE 58 CO 0.83 0.28 0.21 0.22 -1.61 0.00 0.00 178.31 178.24 1x5t h ASP 59 N 0.58 -0.05 -0.16 2.17 3.58 -1.99 0.19 116.42 120.73 1x5t h ASP 59 Ca 0.24 0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.88 1x5t h ASP 59 Cb 0.12 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1x5t h ASP 59 CO -0.15 -0.17 0.06 0.00 -2.88 0.00 0.00 179.24 176.10 1x5t h ALA 60 N 1.79 0.22 -0.98 -0.78 0.00 -1.77 -2.93 119.26 114.80 1x5t h ALA 60 Ca 0.55 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.36 1x5t h ALA 60 Cb 1.10 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1x5t h ALA 60 CO -0.67 -0.18 0.65 0.77 0.00 0.00 0.00 179.25 179.82 1x5t h SER 61 N 0.10 1.10 -0.33 0.00 0.02 -0.63 -2.73 113.55 111.07 1x5t h SER 61 Ca 0.05 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1x5t h SER 61 Cb 0.20 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 1x5t h SER 61 CO -0.00 0.78 -0.24 -0.78 -1.14 0.00 0.00 176.83 175.44 1x5t h ASP 62 N 1.29 -0.79 -0.54 3.07 3.58 -0.58 -1.37 116.42 121.08 1x5t h ASP 62 Ca 0.37 0.16 0.11 0.00 0.42 0.00 0.00 57.03 58.09 1x5t h ASP 62 Cb -0.08 0.39 -0.11 0.00 1.72 0.00 0.00 39.33 41.25 1x5t h ASP 62 CO -0.10 -0.27 -0.24 0.00 -2.88 0.00 0.00 179.24 175.75 1x5t h ALA 63 N 0.93 0.14 -0.66 -0.78 0.00 -1.42 -0.27 119.26 117.19 1x5t h ALA 63 Ca 0.17 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1x5t h ALA 63 Cb 0.46 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x5t h ALA 63 CO -0.45 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.23 1x5t n ALA 64 N -3.05 -0.36 -0.35 0.00 0.00 -0.70 -0.80 120.51 115.24 1x5t n ALA 64 Ca 0.05 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.84 1x5t n ALA 64 Cb 0.33 0.03 0.54 0.00 0.00 0.00 0.00 19.45 20.35 1x5t n ALA 64 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x5t n ILE 65 N -1.73 0.00 -0.02 0.00 5.41 -0.60 0.13 119.36 122.55 1x5t n ILE 65 Ca 0.00 1.31 -0.03 0.00 1.00 0.00 0.00 62.75 65.03 1x5t n ILE 65 Cb 0.00 -2.31 -0.02 0.00 -0.71 0.00 0.00 39.64 36.60 1x5t n ILE 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1x5t h GLU 66 N 0.00 -0.07 0.00 0.38 4.57 -0.59 -3.33 114.58 115.54 1x5t h GLU 66 Ca 0.61 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.78 1x5t h GLU 66 Cb 3.16 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 31.76 1x5t h GLU 66 CO -0.01 0.10 -0.75 0.00 -1.18 0.00 0.00 179.01 177.17 1x5t n ALA 67 N -2.74 0.62 -0.44 2.92 0.00 0.98 -4.34 120.51 117.51 1x5t n ALA 67 Ca -0.02 -0.57 0.36 0.00 0.00 0.00 0.00 53.44 53.21 1x5t n ALA 67 Cb 0.10 -0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.20 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 0.11 -5.27 0.00 2.86 0.96 -3.24 114.93 109.35 1x5t h MET 68 Ca -0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1x5t h MET 68 Cb 0.73 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1x5t h MET 68 CO -0.02 0.07 0.16 -1.71 1.06 0.00 0.00 176.91 176.47 1x5t n ASN 69 N -4.62 1.44 0.00 1.22 5.15 -0.78 -0.78 115.26 116.89 1x5t n ASN 69 Ca 0.36 -1.60 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 1x5t n ASN 69 Cb 1.40 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5t n GLY 70 N 6.57 1.72 2.63 8.20 0.00 -0.70 -4.88 105.19 118.74 1x5t n GLY 70 Ca 0.47 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.23 0.00 -1.93 1.61 1.13 0.04 -4.28 117.38 113.72 1x5t n GLN 71 Ca 0.00 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.68 1x5t n GLN 71 Cb 0.00 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 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 1.81 1.53 0.76 1.08 5.04 -1.26 -3.00 117.35 123.31 1x5t s TYR 72 Ca 0.73 0.95 -0.06 0.00 -2.44 0.00 0.00 57.07 56.25 1x5t s TYR 72 Cb -1.04 -3.98 0.11 0.00 0.35 0.00 0.00 41.96 37.41 1x5t s TYR 72 CO 0.56 -2.40 1.06 -1.17 -1.34 0.00 0.00 175.55 172.25 1x5t s LEU 73 N 9.67 2.87 -0.65 6.97 2.96 -0.58 -4.81 118.68 135.10 1x5t s LEU 73 Ca 0.75 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 54.72 1x5t s LEU 73 Cb -0.14 -2.57 -0.22 0.00 0.50 0.00 0.00 46.19 43.76 1x5t s LEU 73 CO 0.23 -1.90 1.43 0.00 -1.32 0.00 0.00 176.35 174.79 1x5t n ASN 75 N 3.84 -0.03 -3.18 0.00 3.02 -1.26 -4.56 115.26 113.09 1x5t n ASN 75 Ca 0.44 -1.25 0.05 0.00 -0.03 0.00 0.00 54.58 53.79 1x5t n ASN 75 Cb 0.09 -1.68 -0.02 0.00 -0.61 0.00 0.00 39.78 37.56 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x5t s ARG 76 N -7.30 0.29 -0.35 3.52 0.52 0.15 -4.93 118.95 110.85 1x5t s ARG 76 Ca 0.27 0.54 -0.28 0.00 -0.52 0.00 0.00 55.73 55.74 1x5t s ARG 76 Cb -0.16 0.30 -0.01 0.00 0.52 0.00 0.00 34.95 35.61 1x5t s ARG 76 CO 1.00 -0.29 1.70 -1.25 0.02 0.00 0.00 175.30 176.48 1x5t s PRO 77 N 2.88 3.38 0.65 3.54 0.04 -1.26 -1.53 135.00 142.70 1x5t s PRO 77 Ca 0.04 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.26 1x5t s PRO 77 Cb -0.11 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 1x5t s PRO 77 CO -0.14 -1.80 1.05 0.96 0.04 0.00 0.00 177.00 177.11 1x5t s ILE 78 N 6.56 4.24 -0.13 0.56 -4.36 -1.16 -4.70 121.20 122.21 1x5t s ILE 78 Ca 0.75 0.72 -0.03 0.00 -0.26 0.00 0.00 60.65 61.83 1x5t s ILE 78 Cb -0.20 -3.72 0.05 0.00 1.25 0.00 0.00 42.46 39.84 1x5t s ILE 78 CO 0.33 -0.95 0.05 0.42 0.24 0.00 0.00 174.94 175.03 1x5t s THR 79 N -3.25 0.18 -0.22 8.37 -4.23 -1.15 -1.71 115.64 113.63 1x5t s THR 79 Ca 0.56 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 1x5t s THR 79 Cb -0.11 -0.60 -0.05 0.00 1.34 0.00 0.00 72.50 73.08 1x5t s THR 79 CO 0.53 -0.04 0.15 -0.69 -0.54 0.00 0.00 174.62 174.03 1x5t s VAL 80 N 2.03 5.38 -0.16 2.29 1.01 -1.26 -3.27 120.40 126.42 1x5t s VAL 80 Ca 0.03 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1x5t s VAL 80 Cb -0.15 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1x5t s VAL 80 CO -0.07 0.38 0.40 -0.44 0.00 0.00 0.00 175.10 175.38 1x5t s SER 81 N 0.78 -0.48 -0.09 3.32 0.01 -0.86 -4.70 113.70 111.68 1x5t s SER 81 Ca 0.08 0.85 -0.39 0.00 1.31 0.00 0.00 55.95 57.80 1x5t s SER 81 Cb -0.12 0.76 -0.18 0.00 0.21 0.00 0.00 66.02 66.69 1x5t s SER 81 CO 0.02 -0.18 1.41 -1.22 0.41 0.00 0.00 173.24 173.68 1x5t n TYR 82 N 3.93 1.48 -1.83 2.43 4.01 -1.26 -1.63 117.16 124.28 1x5t n TYR 82 Ca -0.21 0.77 -0.36 0.00 -0.16 0.00 0.00 57.90 57.93 1x5t n TYR 82 Cb 0.56 -2.30 0.06 0.00 -0.31 0.00 0.00 39.34 37.34 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t s ALA 83 N 1.41 2.43 -0.37 -0.72 0.00 -1.25 -4.77 121.76 118.48 1x5t s ALA 83 Ca 0.92 1.11 0.05 0.00 0.00 0.00 0.00 51.96 54.04 1x5t s ALA 83 Cb -1.11 -3.51 0.45 0.00 0.00 0.00 0.00 23.12 18.95 1x5t s ALA 83 CO 0.58 -1.44 1.30 1.19 0.00 0.00 0.00 175.76 177.38 1x5t n PHE 84 N -1.83 2.92 -0.55 0.00 3.72 -1.26 -4.82 117.46 115.64 1x5t n PHE 84 Ca 0.15 -2.46 0.45 0.00 -0.05 0.00 0.00 57.45 55.54 1x5t n PHE 84 Cb 0.49 -0.45 0.77 0.00 -0.94 0.00 0.00 39.48 39.35 1x5t n PHE 84 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1x5t h LYS 85 N 2.24 0.02 -6.77 -1.08 5.09 -2.01 -3.38 116.57 110.69 1x5t h LYS 85 Ca 0.39 -0.00 -0.69 0.00 0.09 0.00 0.00 60.65 60.44 1x5t h LYS 85 Cb 1.32 -0.01 -0.24 0.00 0.10 0.00 0.00 32.23 33.40 1x5t h LYS 85 CO 0.89 0.01 -0.87 0.21 -2.09 0.00 0.00 179.45 177.61 1x5t s LYS 86 N -4.97 1.71 0.84 0.07 2.20 -1.26 -5.14 119.74 113.19 1x5t s LYS 86 Ca -0.06 -1.17 -0.12 0.00 -0.36 0.00 0.00 55.97 54.26 1x5t s LYS 86 Cb 0.26 -1.98 0.10 0.00 -1.51 0.00 0.00 37.83 34.70 1x5t s LYS 86 CO 0.86 0.49 1.14 0.16 -0.36 0.00 0.00 175.35 177.64 1x5t s ASP 87 N -1.54 4.13 0.16 1.43 1.47 -1.26 -5.08 116.67 115.97 1x5t s ASP 87 Ca 0.13 1.00 0.10 0.00 1.18 0.00 0.00 52.55 54.97 1x5t s ASP 87 Cb -0.10 -1.61 -0.04 0.00 -0.34 0.00 0.00 42.92 40.83 1x5t s ASP 87 CO 0.04 -2.16 -0.20 -0.55 0.68 0.00 0.00 175.17 172.97 1x5t s SER 88 N -4.17 3.68 0.11 2.11 0.15 -1.26 -5.14 113.70 109.19 1x5t s SER 88 Ca 0.62 -0.72 -0.25 0.00 0.70 0.00 0.00 55.95 56.30 1x5t s SER 88 Cb -0.13 -0.41 0.07 0.00 -1.71 0.00 0.00 66.02 63.84 1x5t s SER 88 CO 0.52 0.14 0.80 -1.59 1.20 0.00 0.00 173.24 174.31 1x5t s LYS 89 N -2.47 1.15 0.00 5.44 0.00 -1.26 -5.19 119.74 117.42 1x5t s LYS 89 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 55.65 1x5t s LYS 89 Cb -0.09 0.48 0.00 0.00 0.00 0.00 0.00 37.83 38.21 1x5t s LYS 89 CO 0.10 -0.52 0.00 0.41 0.00 0.00 0.00 175.35 175.35 1x5t n GLY 90 N -0.36 2.93 3.35 0.59 0.00 -1.26 -5.19 105.19 105.25 1x5t n GLY 90 Ca -0.10 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1x5t n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5t s SER 91 N 2.00 0.26 -0.16 1.61 1.04 -1.26 -5.16 113.70 112.04 1x5t s SER 91 Ca 0.00 -1.28 -0.01 0.00 0.48 0.00 0.00 55.95 55.14 1x5t s SER 91 Cb 0.00 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1x5t s SER 91 CO 0.00 -0.99 -0.11 -0.83 0.98 0.00 0.00 173.24 172.29 1x5t s GLY 92 N -3.14 1.56 0.00 7.32 0.00 -1.26 -4.98 107.32 106.82 1x5t s GLY 92 Ca 0.33 -0.97 0.16 0.00 0.00 0.00 0.00 44.72 44.24 1x5t s GLY 92 CO 0.13 -0.01 1.35 -1.55 0.00 0.00 0.00 173.10 173.02 1x5t n PRO 93 N 3.88 0.48 -1.20 2.90 -0.04 -1.26 -4.85 135.00 134.92 1x5t n PRO 93 Ca -0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 1x5t n PRO 93 Cb 0.52 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1x5t n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5t n SER 94 N -1.01 -1.40 -3.85 3.54 2.88 -1.26 -5.02 113.62 107.50 1x5t n SER 94 Ca 0.12 0.55 -0.12 0.00 -1.33 0.00 0.00 58.87 58.09 1x5t n SER 94 Cb 0.06 -1.20 -0.12 0.00 -0.75 0.00 0.00 64.21 62.20 1x5t n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5t s SER 95 N -1.53 -0.07 0.00 -3.46 0.15 -1.26 -5.27 113.70 102.26 1x5t s SER 95 Ca 0.64 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1x5t s SER 95 Cb -0.33 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1x5t s SER 95 CO 0.60 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.47