#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 0.88 -4.15 1.61 3.41 -1.26 -5.00 113.62 109.11 1x5t n SER 2 Ca 0.00 -0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 57.73 1x5t n SER 2 Cb 0.00 1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.92 1x5t n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5t n SER 3 N -1.22 -1.59 0.00 4.04 2.88 -1.26 -4.09 113.62 112.38 1x5t n SER 3 Ca 0.01 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 1x5t n SER 3 Cb 0.09 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 1x5t n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5t n GLY 4 N -0.99 0.68 3.61 0.46 0.00 -1.26 -4.88 105.19 102.81 1x5t n GLY 4 Ca 0.10 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1x5t n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5t s SER 5 N 0.00 6.54 -0.20 1.61 0.01 -1.26 -4.65 113.70 115.76 1x5t s SER 5 Ca 0.00 0.54 -0.17 0.00 1.31 0.00 0.00 55.95 57.62 1x5t s SER 5 Cb 0.00 -2.34 -0.20 0.00 0.21 0.00 0.00 66.02 63.69 1x5t s SER 5 CO 0.00 -0.47 0.19 -0.24 0.41 0.00 0.00 173.24 173.14 1x5t n SER 6 N 5.87 1.93 -2.14 2.44 2.88 -1.26 -5.08 113.62 118.26 1x5t n SER 6 Ca -0.00 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x5t n SER 6 Cb 0.49 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1x5t n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5t n GLY 7 N 1.56 -5.29 3.31 0.46 0.00 -1.26 -4.75 105.19 99.21 1x5t n GLY 7 Ca -0.34 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.52 2.00 -0.13 -0.61 -4.36 0.57 -3.58 121.20 114.56 1x5t s ILE 8 Ca 0.00 -1.18 -0.11 0.00 -0.26 0.00 0.00 60.65 59.10 1x5t s ILE 8 Cb 0.00 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.98 1x5t s ILE 8 CO 0.00 0.47 0.23 0.12 0.24 0.00 0.00 174.94 175.99 1x5t s PHE 9 N -0.67 3.54 -0.03 1.37 5.36 -0.48 -1.94 117.98 125.13 1x5t s PHE 9 Ca 0.10 0.59 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 1x5t s PHE 9 Cb -0.10 -2.16 -0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1x5t s PHE 9 CO 0.00 0.49 -0.13 0.42 -1.46 0.00 0.00 175.22 174.54 1x5t s ILE 10 N -0.34 1.09 0.19 3.12 1.01 -0.43 -2.16 121.20 123.69 1x5t s ILE 10 Ca 0.15 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1x5t s ILE 10 Cb -0.13 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 1x5t s ILE 10 CO 0.04 0.32 -0.06 -0.83 0.00 0.00 0.00 174.94 174.42 1x5t s GLY 11 N 0.03 1.34 -0.48 6.18 0.00 -1.19 0.06 107.32 113.27 1x5t s GLY 11 Ca -0.02 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.05 1x5t s GLY 11 CO 0.01 -1.64 0.41 -2.01 0.00 0.00 0.00 173.10 169.86 1x5t n ASN 12 N -0.32 -2.67 -4.59 1.64 5.15 -0.34 -2.69 115.26 111.43 1x5t n ASN 12 Ca -0.07 -0.27 -0.36 0.00 -0.60 0.00 0.00 54.58 53.27 1x5t n ASN 12 Cb 0.62 -2.45 -0.10 0.00 -0.53 0.00 0.00 39.78 37.32 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 -3.89 3.84 0.28 1.20 1.43 -0.93 -3.85 118.68 116.76 1x5t s LEU 13 Ca 0.06 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 1x5t s LEU 13 Cb -0.01 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.06 1x5t s LEU 13 CO 0.31 0.07 1.03 -0.67 0.23 0.00 0.00 176.35 177.32 1x5t n ASP 14 N 4.24 1.34 0.00 2.29 -0.08 -1.26 -4.81 116.55 118.26 1x5t n ASP 14 Ca -0.16 1.18 0.07 0.00 -1.51 0.00 0.00 54.79 54.37 1x5t n ASP 14 Cb 0.52 -1.29 0.43 0.00 2.34 0.00 0.00 41.12 43.13 1x5t n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x5t n PRO 15 N 0.85 0.49 0.00 -0.67 -0.04 -1.26 -1.90 135.00 132.47 1x5t n PRO 15 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1x5t n PRO 15 Cb 0.31 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.97 0.19 -1.84 0.54 -0.58 -1.26 -4.96 120.64 111.76 1x5t n GLU 16 Ca 0.11 -0.05 -0.31 0.00 -0.42 0.00 0.00 57.16 56.50 1x5t n GLU 16 Cb 0.05 -1.52 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 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 -3.15 4.23 0.05 -3.67 1.01 -0.80 -5.09 121.20 113.79 1x5t s ILE 17 Ca 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 1x5t s ILE 17 Cb 0.15 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1x5t s ILE 17 CO 0.86 -0.95 0.03 -0.62 0.00 0.00 0.00 174.94 174.27 1x5t s ASP 18 N -4.19 0.35 0.28 3.58 -1.08 -1.26 -5.02 116.67 109.32 1x5t s ASP 18 Ca 0.56 -0.81 -0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1x5t s ASP 18 Cb -0.11 0.22 0.57 0.00 -1.46 0.00 0.00 42.92 42.14 1x5t s ASP 18 CO 0.53 -0.58 1.59 -0.33 0.52 0.00 0.00 175.17 176.91 1x5t h GLU 19 N 3.31 0.04 -0.41 4.34 5.08 -1.98 0.13 114.58 125.09 1x5t h GLU 19 Ca -0.34 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1x5t h GLU 19 Cb 1.16 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1x5t h GLU 19 CO 0.59 0.03 -0.35 0.87 -1.00 0.00 0.00 179.01 179.15 1x5t h LYS 20 N 0.04 -0.26 0.76 2.33 1.79 -1.96 -1.52 116.57 117.76 1x5t h LYS 20 Ca 0.50 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.95 1x5t h LYS 20 Cb 0.93 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1x5t h LYS 20 CO -0.84 -0.17 -0.36 1.25 -1.08 0.00 0.00 179.45 178.25 1x5t h LEU 21 N -0.27 -0.86 -0.93 2.94 5.85 -1.22 -2.48 115.31 118.34 1x5t h LEU 21 Ca 0.17 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.12 1x5t h LEU 21 Cb 0.55 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1x5t h LEU 21 CO -0.56 -0.54 1.11 -0.07 -0.34 0.00 0.00 178.44 178.04 1x5t h LEU 22 N -1.16 0.00 0.00 2.25 3.38 -0.83 0.38 115.31 119.33 1x5t h LEU 22 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1x5t h LEU 22 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x5t h LEU 22 CO 0.17 0.00 -0.07 0.22 0.09 0.00 0.00 178.44 178.86 1x5t h TYR 23 N 0.00 0.00 -0.36 1.13 5.03 -0.83 -3.25 116.97 118.69 1x5t h TYR 23 Ca 0.37 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.67 1x5t h TYR 23 Cb 2.58 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 40.85 1x5t h TYR 23 CO 0.00 0.30 0.19 0.38 -1.32 0.00 0.00 178.16 177.71 1x5t h ASP 24 N -1.00 0.46 -0.98 -2.11 3.04 -0.17 1.15 116.42 116.81 1x5t h ASP 24 Ca -0.01 -0.10 0.22 0.00 -3.24 0.00 0.00 57.03 53.90 1x5t h ASP 24 Cb 0.33 -0.12 -0.12 0.00 -1.04 0.00 0.00 39.33 38.39 1x5t h ASP 24 CO -0.01 0.43 0.56 0.74 -2.04 0.00 0.00 179.24 178.92 1x5t h THR 25 N 0.45 0.58 0.00 1.15 2.02 -0.67 0.45 112.91 116.89 1x5t h THR 25 Ca 0.13 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1x5t h THR 25 Cb 0.08 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1x5t h THR 25 CO -0.02 0.11 -1.45 0.49 0.37 0.00 0.00 175.52 175.02 1x5t n PHE 26 N -4.88 0.32 0.32 3.16 3.01 -1.01 -4.13 117.46 114.26 1x5t n PHE 26 Ca 0.25 0.09 0.19 0.00 1.01 0.00 0.00 57.45 59.00 1x5t n PHE 26 Cb 0.68 -0.58 1.03 0.00 -0.01 0.00 0.00 39.48 40.60 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 0.00 0.00 -0.06 4.37 0.87 0.37 -1.67 113.55 117.42 1x5t h SER 27 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1x5t h SER 27 Cb 0.91 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1x5t h SER 27 CO 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 176.23 1x5t h ALA 28 N 1.78 0.10 0.50 6.23 0.00 -1.68 -3.33 119.26 122.85 1x5t h ALA 28 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1x5t h ALA 28 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x5t h ALA 28 CO 0.00 -0.08 -0.24 0.74 0.00 0.00 0.00 179.25 179.67 1x5t h PHE 29 N -0.29 -0.62 -3.22 0.00 0.04 -1.58 -3.48 116.94 107.80 1x5t h PHE 29 Ca 0.01 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1x5t h PHE 29 Cb 0.60 0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1x5t h PHE 29 CO 0.10 -0.30 -0.11 0.41 -0.60 0.00 0.00 178.31 177.81 1x5t n GLY 30 N -0.77 2.67 3.81 -1.45 0.00 -1.07 -4.97 105.19 103.41 1x5t n GLY 30 Ca -0.11 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.67 5.03 0.06 1.61 1.01 -1.26 -4.06 120.40 120.12 1x5t s VAL 31 Ca 0.17 0.89 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 1x5t s VAL 31 Cb -0.00 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 1x5t s VAL 31 CO 0.13 0.53 0.52 -0.63 0.00 0.00 0.00 175.10 175.65 1x5t s ILE 32 N -0.76 4.83 0.09 2.22 1.01 -1.26 -1.55 121.20 125.78 1x5t s ILE 32 Ca 0.24 1.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 1x5t s ILE 32 Cb -0.17 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1x5t s ILE 32 CO 0.13 0.54 1.51 -0.07 0.00 0.00 0.00 174.94 177.05 1x5t h LEU 33 N 4.51 0.51 -7.31 2.97 3.38 -1.45 -3.44 115.31 114.48 1x5t h LEU 33 Ca -0.50 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.18 1x5t h LEU 33 Cb 1.21 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 1x5t h LEU 33 CO 0.63 0.72 0.30 0.00 0.09 0.00 0.00 178.44 180.18 1x5t s GLN 34 N -4.89 1.30 0.12 1.13 -2.07 -1.26 -5.03 119.66 108.96 1x5t s GLN 34 Ca -0.13 -0.58 -0.32 0.00 -1.82 0.00 0.00 55.36 52.51 1x5t s GLN 34 Cb 0.08 0.53 -0.18 0.00 -1.09 0.00 0.00 33.01 32.36 1x5t s GLN 34 CO 0.76 -0.58 0.71 2.41 -1.32 0.00 0.00 175.29 177.27 1x5t n THR 35 N -0.38 1.17 -1.69 3.63 -1.04 -1.26 -4.70 114.28 110.01 1x5t n THR 35 Ca -0.11 -0.29 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 1x5t n THR 35 Cb 0.63 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.19 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 -0.58 2.73 -0.09 -2.82 0.04 -1.26 -4.94 135.00 128.08 1x5t s PRO 36 Ca 0.72 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 63.12 1x5t s PRO 36 Cb -1.03 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1x5t s PRO 36 CO 0.54 -1.30 -0.07 0.15 0.04 0.00 0.00 177.00 176.37 1x5t s LYS 37 N -4.21 2.95 -0.14 4.56 1.02 -0.60 -4.88 119.74 118.44 1x5t s LYS 37 Ca 0.66 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1x5t s LYS 37 Cb -0.20 -2.65 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1x5t s LYS 37 CO 0.43 0.56 -0.11 0.42 -0.92 0.00 0.00 175.35 175.74 1x5t s ILE 38 N -0.53 1.34 0.19 2.17 1.01 -1.26 -1.23 121.20 122.89 1x5t s ILE 38 Ca 0.08 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1x5t s ILE 38 Cb -0.12 -1.31 -0.08 0.00 0.01 0.00 0.00 42.46 40.96 1x5t s ILE 38 CO 0.02 0.38 1.13 -0.04 0.00 0.00 0.00 174.94 176.43 1x5t s MET 39 N 1.58 4.57 -0.02 2.79 -1.94 -1.24 -4.98 119.30 120.05 1x5t s MET 39 Ca 0.04 1.77 0.02 0.00 -1.71 0.00 0.00 55.69 55.81 1x5t s MET 39 Cb -0.13 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1x5t s MET 39 CO -0.09 0.04 -0.07 1.03 -0.01 0.00 0.00 175.02 175.91 1x5t s ARG 40 N -0.42 0.79 -0.14 2.03 0.52 -1.26 -1.20 118.95 119.26 1x5t s ARG 40 Ca 0.50 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.18 1x5t s ARG 40 Cb -0.30 -0.76 -0.06 0.00 0.52 0.00 0.00 34.95 34.34 1x5t s ARG 40 CO 0.36 0.09 2.15 -0.25 0.02 0.00 0.00 175.30 177.67 1x5t n ASP 41 N 3.31 3.52 0.00 0.23 9.92 0.20 -4.82 116.55 128.92 1x5t n ASP 41 Ca -0.18 0.41 0.07 0.00 -0.53 0.00 0.00 54.79 54.56 1x5t n ASP 41 Cb 0.55 -1.55 0.39 0.00 -0.64 0.00 0.00 41.12 39.87 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1x5t n PRO 42 N 8.39 0.28 -0.09 -0.24 -0.04 -1.26 0.18 135.00 142.22 1x5t n PRO 42 Ca 0.27 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 1x5t n PRO 42 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x5t h ASP 43 N 0.00 0.00 -0.01 3.54 3.32 -1.97 -3.40 116.42 117.90 1x5t h ASP 43 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1x5t h ASP 43 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1x5t h ASP 43 CO 0.00 1.22 -0.34 0.35 -1.72 0.00 0.00 179.24 178.76 1x5t n THR 44 N -4.51 0.00 -3.40 0.35 -2.24 -1.19 -5.00 114.28 98.29 1x5t n THR 44 Ca -0.22 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.03 1x5t n THR 44 Cb 0.53 1.14 0.08 0.00 -2.10 0.00 0.00 70.33 69.98 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 1.09 -0.35 3.35 3.38 0.00 0.48 -5.02 105.19 108.13 1x5t n GLY 45 Ca 0.05 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1x5t n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x5t s ASN 46 N -3.65 3.03 -0.08 1.61 3.84 -1.18 -4.87 114.94 113.64 1x5t s ASN 46 Ca 0.32 -0.70 -0.37 0.00 0.21 0.00 0.00 52.86 52.32 1x5t s ASN 46 Cb -0.14 -0.20 -0.15 0.00 -0.55 0.00 0.00 41.25 40.20 1x5t s ASN 46 CO 0.65 0.15 1.63 -1.20 -2.79 0.00 0.00 177.10 175.54 1x5t n SER 47 N 1.12 2.44 0.04 -4.21 7.64 -1.26 -0.62 113.62 118.76 1x5t n SER 47 Ca -0.18 1.07 -0.11 0.00 1.01 0.00 0.00 58.87 60.65 1x5t n SER 47 Cb 0.53 -1.23 -0.06 0.00 -1.01 0.00 0.00 64.21 62.44 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1x5t h LYS 48 N 6.61 -0.05 0.00 1.43 1.79 -1.49 -3.45 116.57 121.42 1x5t h LYS 48 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1x5t h LYS 48 Cb 1.31 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1x5t h LYS 48 CO 0.89 -0.04 0.00 0.41 -1.08 0.00 0.00 179.45 179.64 1x5t n GLY 49 N -1.14 1.26 3.28 3.86 0.00 -1.26 -5.01 105.19 106.17 1x5t n GLY 49 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.33 1.81 0.28 1.61 -0.85 -1.26 -1.19 117.35 117.42 1x5t s TYR 50 Ca 0.00 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1x5t s TYR 50 Cb 0.00 -1.02 -0.05 0.00 0.38 0.00 0.00 41.96 41.27 1x5t s TYR 50 CO 0.00 0.17 0.09 0.00 -1.52 0.00 0.00 175.55 174.29 1x5t s ALA 51 N -1.04 1.95 -0.04 9.51 0.00 0.11 -3.59 121.76 128.66 1x5t s ALA 51 Ca 0.07 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.15 1x5t s ALA 51 Cb -0.10 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1x5t s ALA 51 CO 0.03 -0.41 -0.13 -0.06 0.00 0.00 0.00 175.76 175.19 1x5t s PHE 52 N -3.60 1.36 -0.02 0.00 0.40 -0.36 -1.32 117.98 114.44 1x5t s PHE 52 Ca 0.37 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1x5t s PHE 52 Cb 0.08 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.66 1x5t s PHE 52 CO 0.14 -0.18 -0.06 0.42 0.70 0.00 0.00 175.22 176.25 1x5t s ILE 53 N 0.29 0.54 -0.16 0.64 1.01 -0.82 -1.56 121.20 121.15 1x5t s ILE 53 Ca -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1x5t s ILE 53 Cb -0.12 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 1x5t s ILE 53 CO 0.02 0.18 -0.02 0.21 0.00 0.00 0.00 174.94 175.34 1x5t s ASN 54 N 0.28 4.99 0.32 3.58 2.47 -1.26 -0.32 114.94 125.00 1x5t s ASN 54 Ca -0.03 -0.08 0.03 0.00 0.42 0.00 0.00 52.86 53.20 1x5t s ASN 54 Cb -0.08 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.88 1x5t s ASN 54 CO -0.00 0.18 0.49 -0.36 -3.72 0.00 0.00 177.10 173.68 1x5t s PHE 55 N 0.33 3.41 0.08 0.43 0.08 -1.26 -1.38 117.98 119.67 1x5t s PHE 55 Ca -0.02 0.14 -0.17 0.00 0.12 0.00 0.00 56.93 57.00 1x5t s PHE 55 Cb -0.14 -1.84 -0.09 0.00 -0.57 0.00 0.00 43.02 40.39 1x5t s PHE 55 CO 0.02 0.16 1.45 0.00 -0.10 0.00 0.00 175.22 176.75 1x5t h ALA 56 N 0.87 0.37 -2.22 5.36 0.00 -1.57 -3.40 119.26 118.68 1x5t h ALA 56 Ca -0.50 -0.32 -0.37 0.00 0.00 0.00 0.00 54.91 53.73 1x5t h ALA 56 Cb 1.23 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1x5t h ALA 56 CO 0.60 0.25 -0.71 -1.54 0.00 0.00 0.00 179.25 177.85 1x5t s SER 57 N -6.25 2.02 0.14 0.00 1.04 -1.26 -4.65 113.70 104.74 1x5t s SER 57 Ca -0.13 -1.04 -0.14 0.00 0.48 0.00 0.00 55.95 55.12 1x5t s SER 57 Cb 0.08 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1x5t s SER 57 CO 0.79 -0.31 1.61 -0.26 0.98 0.00 0.00 173.24 176.05 1x5t h PHE 58 N 2.67 0.82 -0.99 5.02 -1.00 -1.89 -2.88 116.94 118.69 1x5t h PHE 58 Ca -0.37 -0.12 0.22 0.00 2.81 0.00 0.00 57.97 60.51 1x5t h PHE 58 Cb 1.20 -0.22 -0.12 0.00 3.61 0.00 0.00 35.95 40.42 1x5t h PHE 58 CO 0.66 0.78 0.58 -0.44 -1.61 0.00 0.00 178.31 178.28 1x5t h ASP 59 N 0.62 0.69 -0.43 2.17 3.32 -2.00 0.30 116.42 121.09 1x5t h ASP 59 Ca 0.14 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1x5t h ASP 59 Cb 0.41 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1x5t h ASP 59 CO 0.01 0.16 0.11 0.00 -1.72 0.00 0.00 179.24 177.81 1x5t h ALA 60 N 1.70 1.27 0.00 3.45 0.00 -1.89 -2.08 119.26 121.71 1x5t h ALA 60 Ca 0.61 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1x5t h ALA 60 Cb 1.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1x5t h ALA 60 CO -0.44 0.51 -0.30 1.03 0.00 0.00 0.00 179.25 180.05 1x5t h SER 61 N 0.73 0.00 -0.32 0.00 0.87 -0.43 -3.04 113.55 111.36 1x5t h SER 61 Ca 0.16 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.61 1x5t h SER 61 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1x5t h SER 61 CO -0.00 0.30 -0.24 -0.78 -0.53 0.00 0.00 176.83 175.57 1x5t h ASP 62 N 0.00 0.77 -0.45 6.23 3.58 -0.63 -2.28 116.42 123.64 1x5t h ASP 62 Ca -0.00 -0.44 0.06 0.00 0.42 0.00 0.00 57.03 57.06 1x5t h ASP 62 Cb 0.75 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 1x5t h ASP 62 CO 0.04 1.05 0.17 0.00 -2.88 0.00 0.00 179.24 177.61 1x5t h ALA 63 N 0.74 0.54 0.70 -0.78 0.00 -1.40 -1.93 119.26 117.13 1x5t h ALA 63 Ca 0.06 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1x5t h ALA 63 Cb 0.80 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1x5t h ALA 63 CO 0.06 -0.22 -0.33 0.00 0.00 0.00 0.00 179.25 178.76 1x5t h ALA 64 N 1.29 -1.02 -0.16 0.00 0.00 -1.57 -0.27 119.26 117.52 1x5t h ALA 64 Ca 0.21 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1x5t h ALA 64 Cb 0.20 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x5t h ALA 64 CO -0.21 -0.95 0.71 0.82 0.00 0.00 0.00 179.25 179.63 1x5t h ILE 65 N -1.14 0.04 0.04 0.00 2.04 -1.34 1.49 117.51 118.64 1x5t h ILE 65 Ca -0.10 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.50 1x5t h ILE 65 Cb 0.72 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1x5t h ILE 65 CO 0.16 0.00 -1.44 -0.08 0.00 0.00 0.00 178.15 176.78 1x5t h GLU 66 N 0.00 0.09 0.00 2.37 4.81 -1.04 -3.35 114.58 117.45 1x5t h GLU 66 Ca 0.08 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1x5t h GLU 66 Cb 1.51 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.94 1x5t h GLU 66 CO -0.00 1.07 -0.97 0.00 -0.73 0.00 0.00 179.01 178.38 1x5t n ALA 67 N -3.27 0.85 -0.02 2.92 0.00 0.84 -4.44 120.51 117.40 1x5t n ALA 67 Ca -0.31 -0.80 0.24 0.00 0.00 0.00 0.00 53.44 52.56 1x5t n ALA 67 Cb 0.79 0.03 0.71 0.00 0.00 0.00 0.00 19.45 20.98 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 -0.99 0.00 -5.16 0.00 2.86 0.17 -3.20 114.93 108.62 1x5t h MET 68 Ca 0.00 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 1x5t h MET 68 Cb 0.97 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.64 1x5t h MET 68 CO 0.00 0.00 1.04 -1.71 1.06 0.00 0.00 176.91 177.30 1x5t n ASN 69 N -3.79 2.33 0.00 1.22 5.15 -0.06 -1.68 115.26 118.43 1x5t n ASN 69 Ca 0.12 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 1x5t n ASN 69 Cb 0.82 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 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 5.58 1.42 3.61 8.20 0.00 -0.92 -4.83 105.19 118.25 1x5t n GLY 70 Ca 0.45 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.94 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 1.15 -2.15 1.61 1.13 -0.67 -4.58 117.38 113.86 1x5t n GLN 71 Ca 0.00 0.42 -0.39 0.00 -1.94 0.00 0.00 57.00 55.09 1x5t n GLN 71 Cb 0.00 -2.07 -0.03 0.00 0.11 0.00 0.00 30.24 28.25 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 1.07 1.80 0.71 1.08 5.04 -1.26 -2.83 117.35 122.96 1x5t s TYR 72 Ca 0.87 0.59 -0.04 0.00 -2.44 0.00 0.00 57.07 56.06 1x5t s TYR 72 Cb -0.98 -4.21 0.10 0.00 0.35 0.00 0.00 41.96 37.23 1x5t s TYR 72 CO 0.50 -2.25 1.00 -1.17 -1.34 0.00 0.00 175.55 172.29 1x5t s LEU 73 N 8.35 2.96 -0.55 6.97 2.96 -0.66 -4.82 118.68 133.88 1x5t s LEU 73 Ca 0.60 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 1x5t s LEU 73 Cb -0.11 -2.48 -0.18 0.00 0.50 0.00 0.00 46.19 43.91 1x5t s LEU 73 CO 0.19 -1.76 1.21 0.00 -1.32 0.00 0.00 176.35 174.67 1x5t n ASN 75 N 3.25 0.64 -3.15 0.00 6.94 -1.26 -4.59 115.26 117.09 1x5t n ASN 75 Ca 0.37 -1.21 0.05 0.00 -0.02 0.00 0.00 54.58 53.77 1x5t n ASN 75 Cb 0.07 -1.51 -0.01 0.00 -2.36 0.00 0.00 39.78 35.97 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1x5t s ARG 76 N -7.14 0.27 -0.67 -3.83 0.52 0.18 -4.93 118.95 103.35 1x5t s ARG 76 Ca 0.08 0.46 -0.26 0.00 -0.52 0.00 0.00 55.73 55.49 1x5t s ARG 76 Cb -0.05 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 1x5t s ARG 76 CO 0.95 -0.33 1.88 -1.25 0.02 0.00 0.00 175.30 176.58 1x5t s PRO 77 N 2.93 2.60 0.95 3.54 0.04 -1.26 -1.66 135.00 142.14 1x5t s PRO 77 Ca 0.06 0.42 -0.14 0.00 0.04 0.00 0.00 61.00 61.39 1x5t s PRO 77 Cb -0.10 -4.53 0.16 0.00 0.04 0.00 0.00 34.50 30.07 1x5t s PRO 77 CO -0.15 -2.88 1.18 0.96 0.04 0.00 0.00 177.00 176.15 1x5t s ILE 78 N 9.32 1.95 -0.02 0.56 -4.36 -1.13 -4.77 121.20 122.75 1x5t s ILE 78 Ca 0.68 0.00 -0.08 0.00 -0.26 0.00 0.00 60.65 60.99 1x5t s ILE 78 Cb -0.11 -2.80 0.01 0.00 1.25 0.00 0.00 42.46 40.81 1x5t s ILE 78 CO 0.16 0.00 0.17 0.28 0.24 0.00 0.00 174.94 175.79 1x5t s THR 79 N -3.41 0.05 -0.14 8.37 -1.32 -1.10 -2.17 115.64 115.93 1x5t s THR 79 Ca 0.67 -0.45 0.01 0.00 -1.21 0.00 0.00 61.69 60.70 1x5t s THR 79 Cb -0.11 -0.40 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 1x5t s THR 79 CO 0.53 -0.25 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.85 1x5t s VAL 80 N -0.90 1.61 0.03 5.08 1.01 -1.26 -3.15 120.40 122.81 1x5t s VAL 80 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1x5t s VAL 80 Cb -0.05 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1x5t s VAL 80 CO 0.01 0.46 -0.04 -0.55 0.00 0.00 0.00 175.10 174.99 1x5t s SER 81 N 1.38 0.41 -0.47 3.32 0.15 -0.92 -4.62 113.70 112.96 1x5t s SER 81 Ca 0.03 -0.57 -0.27 0.00 0.70 0.00 0.00 55.95 55.83 1x5t s SER 81 Cb -0.13 0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 1x5t s SER 81 CO -0.09 -0.32 1.90 -0.31 1.20 0.00 0.00 173.24 175.62 1x5t s TYR 82 N -1.75 1.65 0.29 3.44 2.02 -1.26 -1.39 117.35 120.36 1x5t s TYR 82 Ca -0.12 0.80 0.03 0.00 -0.37 0.00 0.00 57.07 57.42 1x5t s TYR 82 Cb -0.08 -4.05 0.75 0.00 -0.40 0.00 0.00 41.96 38.19 1x5t s TYR 82 CO -0.02 -2.64 1.45 0.00 -1.57 0.00 0.00 175.55 172.77 1x5t n ALA 83 N 12.01 0.51 -3.62 3.71 0.00 -1.24 -4.43 120.51 127.45 1x5t n ALA 83 Ca 0.23 0.99 -0.04 0.00 0.00 0.00 0.00 53.44 54.62 1x5t n ALA 83 Cb 0.50 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 -5.86 -1.00 0.37 0.00 5.36 -1.26 -5.00 117.98 110.58 1x5t s PHE 84 Ca -0.12 1.91 0.06 0.00 -0.96 0.00 0.00 56.93 57.82 1x5t s PHE 84 Cb 0.28 0.60 -0.00 0.00 -0.34 0.00 0.00 43.02 43.55 1x5t s PHE 84 CO 0.72 -0.50 0.52 -1.59 -1.46 0.00 0.00 175.22 172.91 1x5t s LYS 85 N 1.92 3.04 -0.41 10.12 -2.85 -1.26 -5.05 119.74 125.25 1x5t s LYS 85 Ca -0.08 -1.00 -0.04 0.00 -1.00 0.00 0.00 55.97 53.85 1x5t s LYS 85 Cb -0.06 -2.78 0.10 0.00 -2.06 0.00 0.00 37.83 33.03 1x5t s LYS 85 CO -0.19 -0.05 0.21 0.21 0.10 0.00 0.00 175.35 175.63 1x5t s LYS 86 N -4.26 2.15 0.99 1.78 2.47 -1.26 -5.09 119.74 116.53 1x5t s LYS 86 Ca 0.48 -1.73 -0.17 0.00 -1.56 0.00 0.00 55.97 52.99 1x5t s LYS 86 Cb -0.10 -3.61 -0.09 0.00 -1.46 0.00 0.00 37.83 32.57 1x5t s LYS 86 CO 0.32 -1.04 -0.46 -3.47 0.16 0.00 0.00 175.35 170.86 1x5t n ASP 87 N 4.67 -4.50 0.00 1.43 2.03 -1.26 -4.97 116.55 113.95 1x5t n ASP 87 Ca -0.05 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1x5t n ASP 87 Cb 0.42 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1x5t n ASP 87 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x5t n SER 88 N 1.84 1.29 -4.83 1.67 2.88 -1.26 -5.06 113.62 110.15 1x5t n SER 88 Ca 0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 1x5t n SER 88 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.01 1x5t n SER 88 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1x5t s LYS 89 N -1.98 3.76 0.00 -1.46 2.47 -1.26 -5.03 119.74 116.23 1x5t s LYS 89 Ca 0.00 1.06 0.00 0.00 -1.56 0.00 0.00 55.97 55.47 1x5t s LYS 89 Cb 0.00 -2.10 0.00 0.00 -1.46 0.00 0.00 37.83 34.27 1x5t s LYS 89 CO 0.00 -0.44 0.00 0.41 0.16 0.00 0.00 175.35 175.48 1x5t n GLY 90 N -1.29 0.78 3.21 5.54 0.00 -1.26 -5.16 105.19 107.02 1x5t n GLY 90 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1x5t n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5t s SER 91 N 1.00 1.27 0.38 1.61 0.15 -1.26 -5.17 113.70 111.68 1x5t s SER 91 Ca 0.00 -1.08 0.04 0.00 0.70 0.00 0.00 55.95 55.61 1x5t s SER 91 Cb 0.00 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1x5t s SER 91 CO 0.00 -0.49 0.11 -0.83 1.20 0.00 0.00 173.24 173.24 1x5t s GLY 92 N -3.12 2.45 1.22 9.45 0.00 -1.26 -5.16 107.32 110.90 1x5t s GLY 92 Ca 0.18 -1.44 -0.21 0.00 0.00 0.00 0.00 44.72 43.25 1x5t s GLY 92 CO -0.00 -1.81 1.08 -1.55 0.00 0.00 0.00 173.10 170.82 1x5t n PRO 93 N -0.84 -3.14 -3.68 2.90 -0.04 -1.26 -5.10 135.00 123.84 1x5t n PRO 93 Ca -0.05 -1.73 -0.10 0.00 -0.04 0.00 0.00 63.50 61.58 1x5t n PRO 93 Cb 0.65 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1x5t n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5t s SER 94 N -4.43 -0.16 -1.68 3.54 0.15 -1.26 -4.91 113.70 104.95 1x5t s SER 94 Ca 0.70 -0.36 -0.17 0.00 0.70 0.00 0.00 55.95 56.82 1x5t s SER 94 Cb -0.07 0.44 0.17 0.00 -1.71 0.00 0.00 66.02 64.85 1x5t s SER 94 CO 0.54 -0.81 0.43 -0.24 1.20 0.00 0.00 173.24 174.36 1x5t n SER 95 N -0.12 -1.12 0.00 5.45 2.88 -1.26 -5.38 113.62 114.07 1x5t n SER 95 Ca -0.16 -1.16 0.00 0.00 -1.33 0.00 0.00 58.87 56.22 1x5t n SER 95 Cb 0.63 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42