#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t n SER 2 N 0.00 2.71 -4.60 1.61 7.64 -1.26 -4.79 113.62 114.93 1x5t n SER 2 Ca 0.00 -2.83 -0.44 0.00 1.01 0.00 0.00 58.87 56.61 1x5t n SER 2 Cb 0.00 -0.46 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 1x5t n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5t n SER 3 N -0.45 3.31 -3.18 6.43 7.64 -1.23 -3.90 113.62 122.23 1x5t n SER 3 Ca 0.20 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1x5t n SER 3 Cb 0.82 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 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 5.63 0.00 3.69 0.23 0.00 -1.26 -4.50 105.19 108.99 1x5t n GLY 4 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1x5t n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5t s SER 5 N -0.93 6.43 0.13 1.61 1.04 -1.25 -4.62 113.70 116.11 1x5t s SER 5 Ca 0.00 2.75 -0.06 0.00 0.48 0.00 0.00 55.95 59.13 1x5t s SER 5 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1x5t s SER 5 CO 0.00 -1.00 1.32 0.77 0.98 0.00 0.00 173.24 175.31 1x5t h SER 6 N 8.46 0.61 -5.76 7.02 4.64 -1.84 -3.49 113.55 123.19 1x5t h SER 6 Ca -0.46 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 1x5t h SER 6 Cb 1.22 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 1x5t h SER 6 CO 0.95 1.25 -0.68 0.61 -0.87 0.00 0.00 176.83 178.09 1x5t n GLY 7 N 0.86 -1.93 3.76 -0.77 0.00 -1.26 -4.73 105.19 101.12 1x5t n GLY 7 Ca -0.07 0.61 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.42 4.51 -0.15 -0.61 -4.36 0.11 -3.41 121.20 116.87 1x5t s ILE 8 Ca -0.09 -0.72 -0.04 0.00 -0.26 0.00 0.00 60.65 59.54 1x5t s ILE 8 Cb 0.01 -3.14 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 1x5t s ILE 8 CO 0.30 0.17 -0.03 0.12 0.24 0.00 0.00 174.94 175.75 1x5t s PHE 9 N -1.34 3.05 -0.05 1.37 5.36 0.25 -2.00 117.98 124.62 1x5t s PHE 9 Ca 0.28 -0.23 0.06 0.00 -0.96 0.00 0.00 56.93 56.07 1x5t s PHE 9 Cb -0.12 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.59 1x5t s PHE 9 CO 0.20 0.01 -0.24 0.42 -1.46 0.00 0.00 175.22 174.15 1x5t s ILE 10 N 0.29 1.93 0.19 3.12 1.01 -0.69 -2.06 121.20 124.99 1x5t s ILE 10 Ca -0.03 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1x5t s ILE 10 Cb -0.14 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1x5t s ILE 10 CO 0.03 0.54 -0.05 -0.83 0.00 0.00 0.00 174.94 174.63 1x5t s GLY 11 N -0.19 1.30 -0.59 6.18 0.00 -1.14 -0.37 107.32 112.51 1x5t s GLY 11 Ca -0.02 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 1x5t s GLY 11 CO 0.03 -1.62 0.22 -2.01 0.00 0.00 0.00 173.10 169.72 1x5t n ASN 12 N -0.30 -3.25 -4.78 1.64 5.15 0.18 -2.58 115.26 111.33 1x5t n ASN 12 Ca -0.08 -0.10 -0.38 0.00 -0.60 0.00 0.00 54.58 53.42 1x5t n ASN 12 Cb 0.62 -2.18 -0.06 0.00 -0.53 0.00 0.00 39.78 37.63 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 -2.81 4.44 0.31 1.20 1.43 -0.99 -4.21 118.68 118.04 1x5t s LEU 13 Ca 0.11 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.69 1x5t s LEU 13 Cb -0.05 -3.77 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 1x5t s LEU 13 CO 0.14 0.03 1.23 -0.62 0.23 0.00 0.00 176.35 177.36 1x5t s ASP 14 N -1.47 6.95 0.15 2.29 -1.08 -1.26 -4.77 116.67 117.47 1x5t s ASP 14 Ca 0.45 2.53 0.19 0.00 -0.52 0.00 0.00 52.55 55.21 1x5t s ASP 14 Cb -0.20 -2.64 0.82 0.00 -1.46 0.00 0.00 42.92 39.44 1x5t s ASP 14 CO 0.25 -0.40 1.60 -0.81 0.52 0.00 0.00 175.17 176.34 1x5t n PRO 15 N 1.02 0.11 0.00 4.34 -0.04 -1.26 -2.05 135.00 137.11 1x5t n PRO 15 Ca -0.00 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 1x5t n PRO 15 Cb 0.43 -1.71 0.46 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.92 0.06 -1.97 0.54 -0.58 -1.26 -4.88 120.64 110.64 1x5t n GLU 16 Ca 0.03 -0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.44 1x5t n GLU 16 Cb 0.20 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.96 4.69 0.07 -3.67 1.01 -0.87 -5.09 121.20 114.38 1x5t s ILE 17 Ca 0.14 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.59 1x5t s ILE 17 Cb 0.18 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1x5t s ILE 17 CO 0.60 -1.09 -0.07 -1.81 0.00 0.00 0.00 174.94 172.56 1x5t s ASP 18 N -4.18 1.04 0.29 3.58 1.11 -1.26 -5.03 116.67 112.21 1x5t s ASP 18 Ca 0.54 -0.79 -0.02 0.00 0.18 0.00 0.00 52.55 52.45 1x5t s ASP 18 Cb -0.11 0.06 0.62 0.00 1.07 0.00 0.00 42.92 44.56 1x5t s ASP 18 CO 0.53 -0.34 1.58 -0.33 1.18 0.00 0.00 175.17 177.79 1x5t h GLU 19 N 3.68 0.02 0.60 8.23 5.08 -1.99 0.04 114.58 130.24 1x5t h GLU 19 Ca -0.36 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1x5t h GLU 19 Cb 1.18 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1x5t h GLU 19 CO 0.53 0.01 -0.51 -0.22 -1.00 0.00 0.00 179.01 177.83 1x5t h LYS 20 N 0.02 -1.04 -0.22 2.33 3.64 -1.96 -2.41 116.57 116.92 1x5t h LYS 20 Ca 0.53 0.07 0.02 0.00 -1.27 0.00 0.00 60.65 60.01 1x5t h LYS 20 Cb 1.01 0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 33.03 1x5t h LYS 20 CO -0.90 -0.69 -0.23 1.25 -2.27 0.00 0.00 179.45 176.60 1x5t h LEU 21 N -1.08 -0.80 -0.93 5.20 5.85 -1.42 -1.28 115.31 120.86 1x5t h LEU 21 Ca -0.08 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1x5t h LEU 21 Cb 0.91 0.33 -0.15 0.00 0.37 0.00 0.00 40.66 42.12 1x5t h LEU 21 CO -0.01 -0.15 -0.35 0.18 -0.34 0.00 0.00 178.44 177.77 1x5t n LEU 22 N -3.83 -0.57 -0.29 2.25 4.77 -0.78 -0.47 117.00 118.07 1x5t n LEU 22 Ca -0.01 1.62 -0.10 0.00 -0.03 0.00 0.00 56.01 57.49 1x5t n LEU 22 Cb 0.13 -0.39 -0.09 0.00 -2.33 0.00 0.00 43.42 40.75 1x5t n LEU 22 CO -0.01 -1.47 0.49 0.22 -1.33 0.00 0.00 177.39 175.28 1x5t h TYR 23 N 0.00 -1.60 -0.46 -1.77 5.03 -0.71 0.13 116.97 117.59 1x5t h TYR 23 Ca 0.34 0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.74 1x5t h TYR 23 Cb 0.57 0.79 -0.02 0.00 1.55 0.00 0.00 36.73 39.63 1x5t h TYR 23 CO -0.81 -0.35 0.23 0.22 -1.32 0.00 0.00 178.16 176.13 1x5t h ASP 24 N -0.10 0.59 -0.86 -2.11 3.58 -0.69 0.62 116.42 117.44 1x5t h ASP 24 Ca 0.12 -0.12 0.21 0.00 0.42 0.00 0.00 57.03 57.66 1x5t h ASP 24 Cb 0.40 -0.15 -0.12 0.00 1.72 0.00 0.00 39.33 41.18 1x5t h ASP 24 CO -0.73 0.54 0.34 0.74 -2.88 0.00 0.00 179.24 177.25 1x5t h THR 25 N 0.59 0.47 -0.01 2.25 2.02 0.11 0.24 112.91 118.59 1x5t h THR 25 Ca 0.16 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1x5t h THR 25 Cb 0.10 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1x5t h THR 25 CO -0.02 0.07 -0.60 0.49 0.37 0.00 0.00 175.52 175.82 1x5t n PHE 26 N -5.08 0.00 -0.10 3.16 3.01 0.25 -4.31 117.46 114.39 1x5t n PHE 26 Ca 0.20 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.56 1x5t n PHE 26 Cb 0.61 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 40.00 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 1.18 0.50 -0.79 4.37 0.87 0.37 -3.13 113.55 116.92 1x5t h SER 27 Ca 0.00 -0.26 0.12 0.00 -1.23 0.00 0.00 61.79 60.42 1x5t h SER 27 Cb 0.60 -0.13 -0.13 0.00 -0.44 0.00 0.00 62.40 62.30 1x5t h SER 27 CO 0.00 0.63 -0.40 0.00 -0.53 0.00 0.00 176.83 176.54 1x5t h ALA 28 N 0.88 -0.06 0.08 6.23 0.00 -1.68 -2.50 119.26 122.21 1x5t h ALA 28 Ca 0.09 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x5t h ALA 28 Cb 0.35 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1x5t h ALA 28 CO 0.01 -0.71 -0.08 0.74 0.00 0.00 0.00 179.25 179.21 1x5t h PHE 29 N -0.10 -0.23 -2.34 0.00 0.04 -1.83 -3.47 116.94 109.02 1x5t h PHE 29 Ca 0.26 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 1x5t h PHE 29 Cb 0.56 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1x5t h PHE 29 CO -0.78 -0.11 -0.03 0.41 -0.60 0.00 0.00 178.31 177.20 1x5t n GLY 30 N -1.09 3.97 3.75 -1.45 0.00 -0.94 -4.98 105.19 104.45 1x5t n GLY 30 Ca -0.02 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.01 5.23 0.13 1.61 1.01 -1.26 -4.17 120.40 120.93 1x5t s VAL 31 Ca 0.02 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 1x5t s VAL 31 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1x5t s VAL 31 CO 0.02 0.42 0.72 -0.63 0.00 0.00 0.00 175.10 175.63 1x5t s ILE 32 N 0.14 4.50 0.10 2.22 1.01 -1.26 -2.15 121.20 125.76 1x5t s ILE 32 Ca 0.20 1.57 -0.18 0.00 0.00 0.00 0.00 60.65 62.25 1x5t s ILE 32 Cb -0.14 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1x5t s ILE 32 CO 0.07 0.51 1.54 -0.07 0.00 0.00 0.00 174.94 177.00 1x5t h LEU 33 N 4.53 0.49 -7.00 2.97 3.38 -1.67 -3.46 115.31 114.55 1x5t h LEU 33 Ca -0.47 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 1x5t h LEU 33 Cb 1.21 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1x5t h LEU 33 CO 0.66 0.67 0.23 0.00 0.09 0.00 0.00 178.44 180.09 1x5t s GLN 34 N -5.04 1.24 0.10 1.13 1.03 -1.26 -5.07 119.66 111.79 1x5t s GLN 34 Ca -0.13 -0.45 -0.30 0.00 0.04 0.00 0.00 55.36 54.51 1x5t s GLN 34 Cb 0.08 0.57 -0.17 0.00 0.03 0.00 0.00 33.01 33.53 1x5t s GLN 34 CO 0.76 -0.54 0.69 2.41 -2.54 0.00 0.00 175.29 176.07 1x5t n THR 35 N -0.36 0.99 -2.21 3.63 -1.04 -1.26 -4.75 114.28 109.27 1x5t n THR 35 Ca -0.16 -0.25 -0.35 0.00 -2.04 0.00 0.00 64.05 61.25 1x5t n THR 35 Cb 0.65 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.16 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 -0.50 3.30 -0.12 -2.82 0.04 -1.26 -4.97 135.00 128.68 1x5t s PRO 36 Ca 0.69 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 63.28 1x5t s PRO 36 Cb -0.98 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1x5t s PRO 36 CO 0.51 -0.88 0.00 0.15 0.04 0.00 0.00 177.00 176.82 1x5t s LYS 37 N -3.36 3.38 -0.06 4.56 1.02 -0.57 -4.85 119.74 119.87 1x5t s LYS 37 Ca 0.72 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.33 1x5t s LYS 37 Cb -0.24 -2.91 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1x5t s LYS 37 CO 0.28 0.49 -0.20 0.42 -0.92 0.00 0.00 175.35 175.42 1x5t s ILE 38 N -0.28 1.69 0.03 2.17 1.01 -1.26 -0.55 121.20 124.01 1x5t s ILE 38 Ca 0.06 -0.85 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 1x5t s ILE 38 Cb -0.12 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 1x5t s ILE 38 CO 0.02 0.48 0.80 -0.04 0.00 0.00 0.00 174.94 176.20 1x5t s MET 39 N 0.05 4.52 -0.11 2.79 -1.94 -1.11 -5.01 119.30 118.49 1x5t s MET 39 Ca -0.06 1.12 -0.02 0.00 -1.71 0.00 0.00 55.69 55.02 1x5t s MET 39 Cb -0.13 -3.39 0.04 0.00 2.01 0.00 0.00 34.83 33.36 1x5t s MET 39 CO 0.04 0.21 -0.00 1.03 -0.01 0.00 0.00 175.02 176.29 1x5t s ARG 40 N 0.17 0.77 -0.74 2.03 3.00 -1.26 -0.49 118.95 122.43 1x5t s ARG 40 Ca 0.41 -0.09 -0.24 0.00 0.00 0.00 0.00 55.73 55.80 1x5t s ARG 40 Cb -0.20 -1.38 -0.17 0.00 0.00 0.00 0.00 34.95 33.20 1x5t s ARG 40 CO 0.24 -0.39 2.03 -3.47 0.00 0.00 0.00 175.30 173.71 1x5t n ASP 41 N 5.09 0.25 0.02 0.23 -0.08 0.15 -4.70 116.55 117.50 1x5t n ASP 41 Ca -0.08 0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.44 1x5t n ASP 41 Cb 0.49 -0.70 0.33 0.00 2.34 0.00 0.00 41.12 43.58 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x5t n PRO 42 N 6.45 0.03 -0.09 -0.67 -0.04 -1.26 0.11 135.00 139.53 1x5t n PRO 42 Ca 0.50 0.28 -0.15 0.00 -0.04 0.00 0.00 63.50 64.09 1x5t n PRO 42 Cb 0.02 -1.55 -0.08 0.00 -0.04 0.00 0.00 33.50 31.84 1x5t n PRO 42 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1x5t h ASP 43 N 0.00 0.00 0.09 3.54 3.58 -1.97 -3.42 116.42 118.24 1x5t h ASP 43 Ca 0.00 -0.41 -0.37 0.00 0.42 0.00 0.00 57.03 56.67 1x5t h ASP 43 Cb 0.26 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 1x5t h ASP 43 CO 0.00 1.16 -2.09 0.35 -2.88 0.00 0.00 179.24 175.78 1x5t n THR 44 N -4.53 1.69 0.00 2.25 -2.24 -1.20 -5.04 114.28 105.21 1x5t n THR 44 Ca -0.20 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1x5t n THR 44 Cb 0.49 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1x5t n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5t n GLY 45 N 2.02 0.59 2.96 3.38 0.00 0.31 -5.07 105.19 109.38 1x5t n GLY 45 Ca -0.36 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.02 -0.04 -0.30 1.61 0.01 -1.18 -4.91 114.94 109.10 1x5t s ASN 46 Ca 0.00 0.07 -0.43 0.00 -0.71 0.00 0.00 52.86 51.79 1x5t s ASN 46 Cb 0.00 0.15 -0.18 0.00 0.41 0.00 0.00 41.25 41.63 1x5t s ASN 46 CO 0.00 -0.07 1.55 -1.54 -1.51 0.00 0.00 177.10 175.53 1x5t n SER 47 N 2.80 1.50 0.34 -1.22 3.41 -1.26 0.31 113.62 119.50 1x5t n SER 47 Ca -0.14 1.14 -0.18 0.00 -0.26 0.00 0.00 58.87 59.42 1x5t n SER 47 Cb 0.59 -1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.44 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1x5t h LYS 48 N 5.47 -1.00 0.00 4.33 1.79 -1.10 -3.43 116.57 122.63 1x5t h LYS 48 Ca -0.46 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1x5t h LYS 48 Cb 1.36 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 1x5t h LYS 48 CO 0.91 -0.67 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 1x5t n GLY 49 N -1.57 -0.46 3.02 3.86 0.00 -1.26 -4.98 105.19 103.81 1x5t n GLY 49 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 0.15 0.21 1.61 1.13 -1.26 0.50 117.35 119.69 1x5t s TYR 50 Ca 0.00 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.34 1x5t s TYR 50 Cb 0.00 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.70 1x5t s TYR 50 CO 0.00 -0.21 0.09 0.00 -2.51 0.00 0.00 175.55 172.92 1x5t s ALA 51 N -1.30 1.35 -0.00 9.51 0.00 0.51 -2.73 121.76 129.09 1x5t s ALA 51 Ca -0.14 -1.71 0.06 0.00 0.00 0.00 0.00 51.96 50.17 1x5t s ALA 51 Cb -0.08 1.07 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 1x5t s ALA 51 CO 0.00 -0.49 -0.19 -0.06 0.00 0.00 0.00 175.76 175.02 1x5t s PHE 52 N -3.92 1.73 -0.07 0.00 0.40 0.29 -1.71 117.98 114.69 1x5t s PHE 52 Ca 0.34 -0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 56.28 1x5t s PHE 52 Cb 0.07 -1.10 0.03 0.00 0.51 0.00 0.00 43.02 42.53 1x5t s PHE 52 CO 0.10 -0.00 0.19 0.42 0.70 0.00 0.00 175.22 176.62 1x5t s ILE 53 N -0.53 -0.02 -0.14 0.64 1.01 -0.85 -1.50 121.20 119.81 1x5t s ILE 53 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 1x5t s ILE 53 Cb -0.08 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 1x5t s ILE 53 CO -0.00 0.03 -0.08 0.20 0.00 0.00 0.00 174.94 175.08 1x5t s ASN 54 N 0.52 4.41 0.53 3.58 -0.87 -1.26 0.09 114.94 121.94 1x5t s ASN 54 Ca -0.03 -0.22 0.02 0.00 -1.57 0.00 0.00 52.86 51.06 1x5t s ASN 54 Cb -0.05 -1.66 0.03 0.00 -0.02 0.00 0.00 41.25 39.55 1x5t s ASN 54 CO -0.03 0.18 0.74 -0.36 -2.57 0.00 0.00 177.10 175.07 1x5t s PHE 55 N 0.28 2.88 -0.03 2.20 0.40 -1.26 -2.13 117.98 120.32 1x5t s PHE 55 Ca -0.06 -0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 55.97 1x5t s PHE 55 Cb -0.15 -2.68 -0.20 0.00 0.51 0.00 0.00 43.02 40.50 1x5t s PHE 55 CO 0.04 -0.78 1.21 0.00 0.70 0.00 0.00 175.22 176.39 1x5t h ALA 56 N 0.16 -0.02 -4.71 5.36 0.00 -1.74 -3.36 119.26 114.95 1x5t h ALA 56 Ca -0.42 -0.26 -0.45 0.00 0.00 0.00 0.00 54.91 53.77 1x5t h ALA 56 Cb 1.29 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 1x5t h ALA 56 CO 0.52 -0.25 -0.41 0.45 0.00 0.00 0.00 179.25 179.56 1x5t n SER 57 N -4.85 0.17 -0.03 0.00 2.88 -1.26 -3.54 113.62 106.99 1x5t n SER 57 Ca -0.09 -2.93 -0.15 0.00 -1.33 0.00 0.00 58.87 54.37 1x5t n SER 57 Cb 0.27 1.23 -0.11 0.00 -0.75 0.00 0.00 64.21 64.85 1x5t n SER 57 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1x5t h PHE 58 N 1.79 0.25 -1.30 0.66 -1.00 -1.84 -3.03 116.94 112.47 1x5t h PHE 58 Ca -0.24 -0.12 0.41 0.00 2.81 0.00 0.00 57.97 60.83 1x5t h PHE 58 Cb 1.07 -0.03 -0.12 0.00 3.61 0.00 0.00 35.95 40.48 1x5t h PHE 58 CO 0.00 0.88 0.85 0.22 -1.61 0.00 0.00 178.31 178.64 1x5t h ASP 59 N -0.45 0.25 0.08 2.17 1.82 -1.99 0.53 116.42 118.83 1x5t h ASP 59 Ca -0.02 0.12 -0.18 0.00 -0.39 0.00 0.00 57.03 56.56 1x5t h ASP 59 Cb 0.92 0.10 0.02 0.00 0.68 0.00 0.00 39.33 41.05 1x5t h ASP 59 CO 0.04 -0.13 -0.77 0.00 -1.61 0.00 0.00 179.24 176.77 1x5t h ALA 60 N 1.57 -0.01 -0.68 -0.78 0.00 -1.94 -3.23 119.26 114.19 1x5t h ALA 60 Ca 0.79 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1x5t h ALA 60 Cb 2.47 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 20.29 1x5t h ALA 60 CO -0.37 0.40 0.45 0.66 0.00 0.00 0.00 179.25 180.38 1x5t h SER 61 N -0.18 0.73 -0.61 0.00 4.64 0.07 -2.13 113.55 116.07 1x5t h SER 61 Ca -0.12 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1x5t h SER 61 Cb 1.53 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 1x5t h SER 61 CO 0.15 0.51 0.34 -0.78 -0.87 0.00 0.00 176.83 176.17 1x5t h ASP 62 N 0.85 0.76 -0.62 4.97 1.82 -0.95 -2.22 116.42 121.03 1x5t h ASP 62 Ca 0.27 -0.09 0.13 0.00 -0.39 0.00 0.00 57.03 56.94 1x5t h ASP 62 Cb 0.02 -0.19 -0.10 0.00 0.68 0.00 0.00 39.33 39.73 1x5t h ASP 62 CO -0.07 0.63 0.03 0.00 -1.61 0.00 0.00 179.24 178.22 1x5t h ALA 63 N 1.16 0.64 0.45 -0.78 0.00 -1.40 0.44 119.26 119.77 1x5t h ALA 63 Ca 0.21 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1x5t h ALA 63 Cb 0.04 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x5t h ALA 63 CO -0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 179.25 178.62 1x5t h ALA 64 N 1.55 -0.85 0.00 0.00 0.00 -1.49 -0.43 119.26 118.04 1x5t h ALA 64 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1x5t h ALA 64 Cb 0.52 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x5t h ALA 64 CO -0.50 -0.80 0.61 0.82 0.00 0.00 0.00 179.25 179.38 1x5t h ILE 65 N -0.82 0.00 0.03 0.00 2.04 -1.21 1.26 117.51 118.81 1x5t h ILE 65 Ca -0.06 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.57 1x5t h ILE 65 Cb 0.47 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1x5t h ILE 65 CO 0.10 0.00 -1.25 -0.08 0.00 0.00 0.00 178.15 176.93 1x5t h GLU 66 N 0.00 0.07 0.00 2.37 4.81 -0.71 -3.36 114.58 117.76 1x5t h GLU 66 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1x5t h GLU 66 Cb 1.23 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1x5t h GLU 66 CO 0.00 1.06 -0.87 0.00 -0.73 0.00 0.00 179.01 178.46 1x5t n ALA 67 N -3.22 1.05 -0.12 2.92 0.00 0.64 -4.49 120.51 117.29 1x5t n ALA 67 Ca -0.29 -0.72 0.27 0.00 0.00 0.00 0.00 53.44 52.70 1x5t n ALA 67 Cb 0.74 0.05 0.72 0.00 0.00 0.00 0.00 19.45 20.95 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 -0.87 0.00 -5.69 0.00 2.86 0.13 -3.30 114.93 108.05 1x5t h MET 68 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1x5t h MET 68 Cb 0.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1x5t h MET 68 CO 0.00 0.00 1.60 -1.71 1.06 0.00 0.00 176.91 177.86 1x5t n ASN 69 N -4.01 2.48 0.00 1.22 5.15 0.19 -0.62 115.26 119.67 1x5t n ASN 69 Ca 0.16 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1x5t n ASN 69 Cb 0.94 -1.55 0.00 0.00 -0.53 0.00 0.00 39.78 38.63 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 5.98 1.55 3.42 8.20 0.00 -0.83 -4.87 105.19 118.63 1x5t n GLY 70 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 1x5t n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5t n GLN 71 N -2.00 0.43 -2.98 1.61 -0.00 0.21 -4.46 117.38 110.19 1x5t n GLN 71 Ca 0.00 0.16 -0.42 0.00 -0.00 0.00 0.00 57.00 56.74 1x5t n GLN 71 Cb 0.00 -1.43 -0.05 0.00 -0.00 0.00 0.00 30.24 28.76 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1x5t s TYR 72 N -1.60 3.24 0.52 2.61 5.04 -1.26 -1.95 117.35 123.95 1x5t s TYR 72 Ca 0.63 0.87 0.07 0.00 -2.44 0.00 0.00 57.07 56.20 1x5t s TYR 72 Cb -0.57 -3.09 0.04 0.00 0.35 0.00 0.00 41.96 38.69 1x5t s TYR 72 CO 0.59 -0.47 0.50 -1.17 -1.34 0.00 0.00 175.55 173.66 1x5t s LEU 73 N 2.81 3.01 -0.57 6.97 2.96 -0.60 -4.92 118.68 128.35 1x5t s LEU 73 Ca 0.31 -0.99 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 1x5t s LEU 73 Cb -0.15 -1.57 -0.18 0.00 0.50 0.00 0.00 46.19 44.79 1x5t s LEU 73 CO 0.10 -1.04 1.28 0.00 -1.32 0.00 0.00 176.35 175.37 1x5t n ASN 75 N 3.65 -0.01 -3.15 0.00 3.02 -1.26 -4.64 115.26 112.86 1x5t n ASN 75 Ca 0.38 -1.16 0.05 0.00 -0.03 0.00 0.00 54.58 53.82 1x5t n ASN 75 Cb 0.07 -1.46 -0.02 0.00 -0.61 0.00 0.00 39.78 37.77 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 -6.91 0.25 -0.15 3.52 0.52 0.19 -5.00 118.95 111.37 1x5t s ARG 76 Ca 0.27 0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 55.62 1x5t s ARG 76 Cb -0.16 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.52 1x5t s ARG 76 CO 0.92 -0.27 1.56 -1.25 0.02 0.00 0.00 175.30 176.28 1x5t s PRO 77 N 2.94 4.02 0.50 3.54 0.04 -1.26 -1.55 135.00 143.23 1x5t s PRO 77 Ca 0.03 1.86 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1x5t s PRO 77 Cb -0.11 -3.96 0.02 0.00 0.04 0.00 0.00 34.50 30.49 1x5t s PRO 77 CO -0.13 -1.01 0.71 0.96 0.04 0.00 0.00 177.00 177.57 1x5t s ILE 78 N 4.44 3.10 -0.03 0.56 -4.36 -0.82 -4.66 121.20 119.42 1x5t s ILE 78 Ca 0.69 -0.68 -0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1x5t s ILE 78 Cb -0.27 -3.14 0.03 0.00 1.25 0.00 0.00 42.46 40.33 1x5t s ILE 78 CO 0.26 -0.09 0.02 0.42 0.24 0.00 0.00 174.94 175.80 1x5t s THR 79 N -2.63 0.05 -0.22 8.37 -4.23 -1.07 -1.97 115.64 113.94 1x5t s THR 79 Ca 0.54 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 61.20 1x5t s THR 79 Cb -0.10 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 1x5t s THR 79 CO 0.37 0.15 0.05 -0.69 -0.54 0.00 0.00 174.62 173.96 1x5t s VAL 80 N 1.40 4.34 0.08 2.29 1.01 -1.26 -2.88 120.40 125.39 1x5t s VAL 80 Ca -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1x5t s VAL 80 Cb -0.13 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1x5t s VAL 80 CO -0.03 0.38 0.09 -0.55 0.00 0.00 0.00 175.10 175.00 1x5t s SER 81 N 1.20 0.29 -0.73 3.32 0.15 -0.87 -4.67 113.70 112.38 1x5t s SER 81 Ca 0.04 -0.85 -0.27 0.00 0.70 0.00 0.00 55.95 55.58 1x5t s SER 81 Cb -0.14 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1x5t s SER 81 CO 0.03 -0.68 1.46 -0.31 1.20 0.00 0.00 173.24 174.93 1x5t s TYR 82 N -3.90 2.13 -0.86 3.44 2.02 -1.26 -0.59 117.35 118.33 1x5t s TYR 82 Ca 0.08 0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.71 1x5t s TYR 82 Cb 0.06 -4.48 -0.22 0.00 -0.40 0.00 0.00 41.96 36.92 1x5t s TYR 82 CO -0.09 -2.12 2.26 0.00 -1.57 0.00 0.00 175.55 174.03 1x5t n ALA 83 N 10.31 0.65 -2.29 3.71 0.00 -1.22 -4.84 120.51 126.84 1x5t n ALA 83 Ca 0.11 -1.19 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 1x5t n ALA 83 Cb 0.50 -2.86 -0.10 0.00 0.00 0.00 0.00 19.45 16.99 1x5t n ALA 83 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x5t s PHE 84 N 8.62 1.41 0.00 0.00 5.36 -1.26 -4.99 117.98 127.12 1x5t s PHE 84 Ca 1.06 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 1x5t s PHE 84 Cb -0.41 -0.82 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 1x5t s PHE 84 CO 0.28 -0.18 0.00 1.17 -1.46 0.00 0.00 175.22 175.03 1x5t n LYS 85 N -0.36 0.00 -1.43 10.12 3.00 -1.26 -5.08 118.16 123.14 1x5t n LYS 85 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.86 1x5t n LYS 85 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.69 1x5t n LYS 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1x5t n LYS 86 N -1.86 0.49 -3.64 1.64 4.81 -1.26 -5.00 118.16 113.34 1x5t n LYS 86 Ca 0.00 0.18 -0.10 0.00 -0.87 0.00 0.00 58.31 57.52 1x5t n LYS 86 Cb 0.00 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.49 1x5t n LYS 86 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1x5t s ASP 87 N -1.00 -0.86 0.13 3.14 -4.77 -1.26 -5.18 116.67 106.87 1x5t s ASP 87 Ca 0.64 1.48 0.02 0.00 -3.30 0.00 0.00 52.55 51.39 1x5t s ASP 87 Cb -0.56 1.41 -0.04 0.00 -1.09 0.00 0.00 42.92 42.63 1x5t s ASP 87 CO 0.58 -0.24 -0.06 -0.55 0.70 0.00 0.00 175.17 175.60 1x5t s SER 88 N 1.13 1.29 -0.10 2.11 0.15 -1.26 -5.08 113.70 111.95 1x5t s SER 88 Ca -0.06 -1.05 -0.05 0.00 0.70 0.00 0.00 55.95 55.49 1x5t s SER 88 Cb -0.05 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 1x5t s SER 88 CO -0.12 -0.46 -0.13 1.17 1.20 0.00 0.00 173.24 174.90 1x5t n LYS 89 N -0.12 0.21 -4.15 5.44 3.00 -1.26 -5.00 118.16 116.29 1x5t n LYS 89 Ca -0.10 0.09 -0.33 0.00 -0.00 0.00 0.00 58.31 57.97 1x5t n LYS 89 Cb 0.61 -0.86 -0.16 0.00 0.00 0.00 0.00 35.03 34.62 1x5t n LYS 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1x5t s GLY 90 N -5.18 1.35 1.12 3.14 0.00 -1.26 -5.12 107.32 101.37 1x5t s GLY 90 Ca -0.14 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.28 1x5t s GLY 90 CO 0.18 0.29 1.05 -0.56 0.00 0.00 0.00 173.10 174.05 1x5t s SER 91 N 1.28 1.39 0.00 1.64 0.01 -1.26 -5.06 113.70 111.70 1x5t s SER 91 Ca 0.04 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1x5t s SER 91 Cb -0.13 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1x5t s SER 91 CO -0.12 -3.94 0.00 0.61 0.41 0.00 0.00 173.24 170.20 1x5t n GLY 92 N 0.38 2.34 0.19 3.44 0.00 -1.26 -5.04 105.19 105.24 1x5t n GLY 92 Ca 0.04 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 1x5t n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5t h PRO 93 N 0.00 0.62 -5.26 1.61 0.13 -2.10 -3.42 132.00 123.58 1x5t h PRO 93 Ca 0.00 -0.33 -0.46 0.00 -0.87 0.00 0.00 66.00 64.35 1x5t h PRO 93 Cb 0.00 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 1x5t h PRO 93 CO 0.00 0.93 1.65 0.43 -0.23 0.00 0.00 178.00 180.78 1x5t n SER 94 N -4.33 1.09 0.18 1.44 7.64 -1.26 -4.79 113.62 113.58 1x5t n SER 94 Ca -0.04 -0.21 -0.15 0.00 1.01 0.00 0.00 58.87 59.48 1x5t n SER 94 Cb 0.44 -1.20 -0.08 0.00 -1.01 0.00 0.00 64.21 62.36 1x5t n SER 94 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1x5t h SER 95 N 15.10 -0.33 0.00 6.43 0.87 -2.04 -3.53 113.55 130.06 1x5t h SER 95 Ca -0.12 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x5t h SER 95 Cb 1.27 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1x5t h SER 95 CO 1.29 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.97