#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 0.00 -3.59 1.61 2.88 -1.26 -4.83 113.62 108.43 1x5t n SER 2 Ca 0.00 0.96 -0.16 0.00 -1.33 0.00 0.00 58.87 58.34 1x5t n SER 2 Cb 0.00 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 1x5t n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5t s SER 3 N -2.77 -0.51 0.00 -3.46 0.15 -1.26 -5.10 113.70 100.75 1x5t s SER 3 Ca 0.00 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1x5t s SER 3 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1x5t s SER 3 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1x5t n GLY 4 N 0.94 0.24 2.04 9.45 0.00 -1.26 -4.80 105.19 111.80 1x5t n GLY 4 Ca -0.20 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 1x5t n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5t n SER 5 N -0.49 3.41 -4.16 1.61 3.41 -1.26 -4.77 113.62 111.37 1x5t n SER 5 Ca 0.00 -3.20 -0.39 0.00 -0.26 0.00 0.00 58.87 55.01 1x5t n SER 5 Cb 0.00 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 1x5t n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5t s SER 6 N -3.52 5.67 0.22 4.04 1.04 -1.26 -4.96 113.70 114.92 1x5t s SER 6 Ca 0.42 -2.82 0.11 0.00 0.48 0.00 0.00 55.95 54.13 1x5t s SER 6 Cb 0.38 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1x5t s SER 6 CO -0.01 -0.42 -0.16 -0.83 0.98 0.00 0.00 173.24 172.80 1x5t s GLY 7 N 1.08 1.75 0.01 7.32 0.00 -1.26 -3.30 107.32 112.92 1x5t s GLY 7 Ca 0.17 -1.64 0.07 0.00 0.00 0.00 0.00 44.72 43.32 1x5t s GLY 7 CO -0.05 -1.69 -0.22 -0.26 0.00 0.00 0.00 173.10 170.89 1x5t s ILE 8 N -1.94 2.47 -0.15 0.90 -4.36 0.29 -2.23 121.20 116.18 1x5t s ILE 8 Ca 0.25 -1.13 -0.08 0.00 -0.26 0.00 0.00 60.65 59.44 1x5t s ILE 8 Cb -0.07 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1x5t s ILE 8 CO 0.14 0.46 0.14 0.12 0.24 0.00 0.00 174.94 176.04 1x5t s PHE 9 N -0.77 3.54 -0.02 1.37 5.36 -0.14 -2.19 117.98 125.13 1x5t s PHE 9 Ca 0.12 0.47 0.04 0.00 -0.96 0.00 0.00 56.93 56.60 1x5t s PHE 9 Cb -0.10 -2.02 -0.00 0.00 -0.34 0.00 0.00 43.02 40.55 1x5t s PHE 9 CO 0.02 0.59 -0.13 0.42 -1.46 0.00 0.00 175.22 174.65 1x5t s ILE 10 N -0.56 1.07 0.10 3.12 1.01 -0.32 -2.19 121.20 123.43 1x5t s ILE 10 Ca 0.13 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1x5t s ILE 10 Cb -0.12 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1x5t s ILE 10 CO 0.02 0.31 -0.11 -0.83 0.00 0.00 0.00 174.94 174.33 1x5t s GLY 11 N -0.07 0.90 -0.36 6.18 0.00 -1.21 -0.30 107.32 112.46 1x5t s GLY 11 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1x5t s GLY 11 CO 0.00 -1.27 0.30 -2.01 0.00 0.00 0.00 173.10 170.13 1x5t n ASN 12 N 0.58 -2.74 -4.62 1.64 5.15 0.38 -2.96 115.26 112.69 1x5t n ASN 12 Ca -0.16 -0.21 -0.37 0.00 -0.60 0.00 0.00 54.58 53.24 1x5t n ASN 12 Cb 0.57 -1.98 -0.10 0.00 -0.53 0.00 0.00 39.78 37.74 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 -3.57 3.98 0.30 1.20 1.43 0.48 -4.06 118.68 118.44 1x5t s LEU 13 Ca 0.07 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.94 1x5t s LEU 13 Cb -0.01 -2.07 -0.14 0.00 0.03 0.00 0.00 46.19 44.01 1x5t s LEU 13 CO 0.23 0.05 0.95 -0.67 0.23 0.00 0.00 176.35 177.14 1x5t n ASP 14 N 4.41 0.99 0.15 2.29 2.03 -1.26 -4.71 116.55 120.45 1x5t n ASP 14 Ca -0.15 1.15 0.13 0.00 0.52 0.00 0.00 54.79 56.43 1x5t n ASP 14 Cb 0.52 -1.26 0.53 0.00 -0.72 0.00 0.00 41.12 40.19 1x5t n ASP 14 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x5t h PRO 15 N 1.81 0.00 0.02 -0.67 0.13 -1.92 -2.97 132.00 128.39 1x5t h PRO 15 Ca -0.39 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.47 1x5t h PRO 15 Cb 1.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.50 1x5t h PRO 15 CO 0.59 0.00 -1.06 0.93 -0.23 0.00 0.00 178.00 178.23 1x5t h GLU 16 N 0.00 0.68 -6.73 0.86 3.07 -1.96 -3.47 114.58 107.03 1x5t h GLU 16 Ca 0.00 -0.76 -0.51 0.00 -0.50 0.00 0.00 59.36 57.59 1x5t h GLU 16 Cb 0.38 0.22 0.22 0.00 -0.84 0.00 0.00 28.75 28.73 1x5t h GLU 16 CO 0.00 1.33 -0.78 -0.89 -1.40 0.00 0.00 179.01 177.28 1x5t n ILE 17 N -3.86 0.00 -4.24 3.13 5.41 -1.13 -5.04 119.36 113.63 1x5t n ILE 17 Ca -0.11 -0.23 -0.15 0.00 1.00 0.00 0.00 62.75 63.25 1x5t n ILE 17 Cb 0.89 -0.60 -0.09 0.00 -0.71 0.00 0.00 39.64 39.12 1x5t n ILE 17 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1x5t s ASP 18 N -1.94 0.80 0.13 4.38 -4.77 -1.26 -5.04 116.67 108.97 1x5t s ASP 18 Ca 0.56 -1.52 -0.21 0.00 -3.30 0.00 0.00 52.55 48.09 1x5t s ASP 18 Cb -0.18 0.42 -0.02 0.00 -1.09 0.00 0.00 42.92 42.05 1x5t s ASP 18 CO 0.67 -0.91 1.69 -0.33 0.70 0.00 0.00 175.17 177.00 1x5t h GLU 19 N 2.42 -0.06 0.38 2.11 5.08 -1.96 -1.78 114.58 120.77 1x5t h GLU 19 Ca -0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1x5t h GLU 19 Cb 1.24 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1x5t h GLU 19 CO 0.48 -0.04 -0.49 0.87 -1.00 0.00 0.00 179.01 178.83 1x5t h LYS 20 N -0.07 -0.87 -0.18 2.33 1.79 -1.97 -1.73 116.57 115.88 1x5t h LYS 20 Ca 0.10 0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 1x5t h LYS 20 Cb 0.21 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 1x5t h LYS 20 CO -0.22 -0.58 -0.28 1.25 -1.08 0.00 0.00 179.45 178.54 1x5t h LEU 21 N -0.90 -0.91 -0.90 2.94 5.85 -1.93 -1.74 115.31 117.71 1x5t h LEU 21 Ca -0.04 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.94 1x5t h LEU 21 Cb 0.82 0.37 -0.15 0.00 0.37 0.00 0.00 40.66 42.07 1x5t h LEU 21 CO -0.12 -0.21 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.32 1x5t h LEU 22 N -0.21 -1.39 -0.74 2.25 3.38 -1.26 0.34 115.31 117.68 1x5t h LEU 22 Ca 0.03 0.29 0.15 0.00 0.09 0.00 0.00 57.88 58.44 1x5t h LEU 22 Cb 0.30 0.72 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 1x5t h LEU 22 CO -0.28 -0.29 -0.18 0.22 0.09 0.00 0.00 178.44 177.99 1x5t h TYR 23 N -0.04 -0.39 0.30 1.13 5.03 -0.45 0.48 116.97 123.03 1x5t h TYR 23 Ca 0.32 0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.68 1x5t h TYR 23 Cb 0.58 0.29 0.00 0.00 1.55 0.00 0.00 36.73 39.15 1x5t h TYR 23 CO -0.82 -0.32 -0.14 -0.44 -1.32 0.00 0.00 178.16 175.12 1x5t h ASP 24 N 0.00 -0.34 -1.30 -2.11 5.19 0.10 0.60 116.42 118.56 1x5t h ASP 24 Ca 0.36 -0.19 0.39 0.00 -0.62 0.00 0.00 57.03 56.96 1x5t h ASP 24 Cb 0.55 0.09 -0.10 0.00 0.18 0.00 0.00 39.33 40.05 1x5t h ASP 24 CO -0.76 0.07 0.87 0.74 -3.12 0.00 0.00 179.24 177.03 1x5t h THR 25 N -0.81 0.27 0.00 0.35 2.02 0.19 0.80 112.91 115.73 1x5t h THR 25 Ca -0.04 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1x5t h THR 25 Cb 0.51 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1x5t h THR 25 CO 0.07 0.03 -1.76 0.49 0.37 0.00 0.00 175.52 174.71 1x5t n PHE 26 N -4.49 0.27 -0.08 3.16 3.01 0.08 -4.36 117.46 115.05 1x5t n PHE 26 Ca 0.33 0.08 -0.08 0.00 1.01 0.00 0.00 57.45 58.78 1x5t n PHE 26 Cb 1.31 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 40.11 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 0.26 -0.96 4.37 0.87 0.64 -2.95 113.55 115.78 1x5t h SER 27 Ca -0.04 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.65 1x5t h SER 27 Cb 1.09 -0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 62.86 1x5t h SER 27 CO 0.00 0.19 -0.46 0.00 -0.53 0.00 0.00 176.83 176.04 1x5t n ALA 28 N -2.21 -0.33 0.01 6.23 0.00 -0.89 -2.03 120.51 121.28 1x5t n ALA 28 Ca -0.01 0.90 -0.00 0.00 0.00 0.00 0.00 53.44 54.33 1x5t n ALA 28 Cb 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 1x5t n ALA 28 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1x5t h PHE 29 N 0.00 -0.03 -4.61 0.00 0.04 -1.79 -3.47 116.94 107.09 1x5t h PHE 29 Ca 0.26 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.57 1x5t h PHE 29 Cb 0.50 0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.55 1x5t h PHE 29 CO -0.91 -0.01 -0.41 0.41 -0.60 0.00 0.00 178.31 176.78 1x5t n GLY 30 N -1.01 3.20 3.76 -1.45 0.00 -0.86 -5.01 105.19 103.82 1x5t n GLY 30 Ca -0.00 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.05 4.82 0.31 1.61 1.01 -1.26 -4.07 120.40 119.76 1x5t s VAL 31 Ca 0.26 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.43 1x5t s VAL 31 Cb 0.01 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1x5t s VAL 31 CO 0.19 0.43 0.77 -0.63 0.00 0.00 0.00 175.10 175.85 1x5t s ILE 32 N -0.31 4.59 -0.14 2.22 1.01 -1.26 -1.64 121.20 125.67 1x5t s ILE 32 Ca 0.33 1.14 -0.24 0.00 0.00 0.00 0.00 60.65 61.88 1x5t s ILE 32 Cb -0.19 -3.70 -0.21 0.00 0.01 0.00 0.00 42.46 38.37 1x5t s ILE 32 CO 0.19 -0.08 0.61 -0.07 0.00 0.00 0.00 174.94 175.59 1x5t h LEU 33 N 2.58 0.00 -7.38 2.97 3.38 -1.80 -3.45 115.31 111.60 1x5t h LEU 33 Ca -0.48 -0.81 -0.06 0.00 0.09 0.00 0.00 57.88 56.62 1x5t h LEU 33 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 1x5t h LEU 33 CO 0.65 0.96 -0.08 -1.10 0.09 0.00 0.00 178.44 178.96 1x5t s GLN 34 N -2.13 1.02 0.03 1.13 -0.21 -1.26 -4.35 119.66 113.89 1x5t s GLN 34 Ca -0.17 -0.58 -0.34 0.00 0.02 0.00 0.00 55.36 54.29 1x5t s GLN 34 Cb -0.02 0.45 -0.17 0.00 1.00 0.00 0.00 33.01 34.27 1x5t s GLN 34 CO 0.58 -0.39 0.86 2.41 -2.12 0.00 0.00 175.29 176.63 1x5t n THR 35 N 0.02 0.32 -2.13 -0.19 -1.04 -1.26 -4.75 114.28 105.25 1x5t n THR 35 Ca -0.17 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 1x5t n THR 35 Cb 0.62 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 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 -0.16 3.21 -0.18 -2.82 0.04 -1.26 -4.98 135.00 128.85 1x5t s PRO 36 Ca 0.76 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 1x5t s PRO 36 Cb -1.07 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 1x5t s PRO 36 CO 0.50 -0.95 0.10 0.15 0.04 0.00 0.00 177.00 176.84 1x5t s LYS 37 N -3.49 3.99 -0.17 4.56 1.02 -0.70 -4.97 119.74 119.97 1x5t s LYS 37 Ca 0.71 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1x5t s LYS 37 Cb -0.23 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1x5t s LYS 37 CO 0.31 0.36 -0.10 0.42 -0.92 0.00 0.00 175.35 175.41 1x5t s ILE 38 N 0.16 1.47 0.25 2.17 1.01 -1.26 -0.86 121.20 124.15 1x5t s ILE 38 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 1x5t s ILE 38 Cb -0.12 -1.52 -0.10 0.00 0.01 0.00 0.00 42.46 40.74 1x5t s ILE 38 CO -0.00 0.26 1.34 -0.04 0.00 0.00 0.00 174.94 176.49 1x5t s MET 39 N 1.49 4.36 -0.12 2.79 -1.94 -1.23 -4.96 119.30 119.69 1x5t s MET 39 Ca 0.01 2.16 -0.04 0.00 -1.71 0.00 0.00 55.69 56.11 1x5t s MET 39 Cb -0.15 -3.13 0.06 0.00 2.01 0.00 0.00 34.83 33.62 1x5t s MET 39 CO -0.09 -0.26 0.24 1.03 -0.01 0.00 0.00 175.02 175.93 1x5t s ARG 40 N -0.73 0.13 -0.45 2.03 0.52 -1.26 -0.71 118.95 118.48 1x5t s ARG 40 Ca 0.55 0.70 -0.42 0.00 -0.52 0.00 0.00 55.73 56.03 1x5t s ARG 40 Cb -0.39 -0.12 -0.18 0.00 0.52 0.00 0.00 34.95 34.78 1x5t s ARG 40 CO 0.44 -0.30 1.59 -3.47 0.02 0.00 0.00 175.30 173.58 1x5t n ASP 41 N 5.35 0.98 0.00 0.23 2.03 0.80 -4.70 116.55 121.23 1x5t n ASP 41 Ca -0.06 0.95 0.07 0.00 0.52 0.00 0.00 54.79 56.28 1x5t n ASP 41 Cb 0.50 -0.80 0.42 0.00 -0.72 0.00 0.00 41.12 40.51 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5t n PRO 42 N 4.55 0.35 -0.09 -0.67 -0.04 -1.26 0.88 135.00 138.72 1x5t n PRO 42 Ca 0.34 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1x5t n PRO 42 Cb -0.05 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.87 1x5t n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x5t n ASP 43 N -1.14 1.90 0.09 3.54 -0.08 -1.26 -4.61 116.55 114.99 1x5t n ASP 43 Ca 0.09 0.43 0.09 0.00 -1.51 0.00 0.00 54.79 53.89 1x5t n ASP 43 Cb 0.08 -0.81 -0.02 0.00 2.34 0.00 0.00 41.12 42.72 1x5t n ASP 43 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1x5t h THR 44 N -1.00 0.10 -0.47 5.18 1.35 -1.94 -3.48 112.91 112.66 1x5t h THR 44 Ca -0.14 -1.21 -0.07 0.00 -0.55 0.00 0.00 66.41 64.45 1x5t h THR 44 Cb 0.98 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1x5t h THR 44 CO -0.08 0.06 -0.09 0.61 -0.25 0.00 0.00 175.52 175.77 1x5t n GLY 45 N 1.22 0.26 3.78 5.82 0.00 0.25 -5.03 105.19 111.49 1x5t n GLY 45 Ca -0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.85 5.16 -0.05 1.61 0.01 -1.22 -4.85 114.94 112.74 1x5t s ASN 46 Ca 0.00 -0.44 -0.30 0.00 -0.71 0.00 0.00 52.86 51.41 1x5t s ASN 46 Cb 0.00 -1.13 -0.05 0.00 0.41 0.00 0.00 41.25 40.48 1x5t s ASN 46 CO 0.00 -0.11 1.59 -0.44 -1.51 0.00 0.00 177.10 176.64 1x5t s SER 47 N -3.83 6.71 0.12 -1.22 0.01 -1.26 -0.14 113.70 114.08 1x5t s SER 47 Ca 0.34 2.19 -0.32 0.00 1.31 0.00 0.00 55.95 59.46 1x5t s SER 47 Cb -0.07 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 1x5t s SER 47 CO 0.24 -0.89 1.57 0.11 0.41 0.00 0.00 173.24 174.68 1x5t h LYS 48 N 9.16 -0.61 0.00 12.44 1.79 -1.25 -3.46 116.57 134.65 1x5t h LYS 48 Ca -0.38 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1x5t h LYS 48 Cb 1.17 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1x5t h LYS 48 CO 0.95 -0.41 0.00 0.41 -1.08 0.00 0.00 179.45 179.32 1x5t n GLY 49 N -1.46 0.29 3.09 3.86 0.00 -1.26 -5.02 105.19 104.68 1x5t n GLY 49 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.75 0.21 1.61 -0.85 -1.26 0.14 117.35 117.95 1x5t s TYR 50 Ca 0.00 -0.58 -0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1x5t s TYR 50 Cb 0.00 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 1x5t s TYR 50 CO 0.00 -0.09 0.10 0.00 -1.52 0.00 0.00 175.55 174.05 1x5t s ALA 51 N -1.83 1.34 0.06 9.51 0.00 0.59 -3.47 121.76 127.96 1x5t s ALA 51 Ca -0.05 -1.73 0.07 0.00 0.00 0.00 0.00 51.96 50.25 1x5t s ALA 51 Cb -0.07 1.17 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 1x5t s ALA 51 CO -0.01 -0.52 -0.19 -0.06 0.00 0.00 0.00 175.76 174.98 1x5t s PHE 52 N -3.98 1.69 -0.12 0.00 0.40 -0.04 -1.18 117.98 114.76 1x5t s PHE 52 Ca 0.36 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.22 1x5t s PHE 52 Cb 0.07 -0.99 0.04 0.00 0.51 0.00 0.00 43.02 42.65 1x5t s PHE 52 CO 0.11 0.10 0.31 0.42 0.70 0.00 0.00 175.22 176.87 1x5t s ILE 53 N -0.89 -0.01 -0.18 0.64 1.01 -0.93 -1.72 121.20 119.11 1x5t s ILE 53 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 1x5t s ILE 53 Cb -0.09 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 1x5t s ILE 53 CO 0.02 0.02 0.00 0.20 0.00 0.00 0.00 174.94 175.18 1x5t s ASN 54 N 0.54 5.04 0.32 3.58 -0.87 -1.26 -0.55 114.94 121.75 1x5t s ASN 54 Ca -0.03 -0.09 0.01 0.00 -1.57 0.00 0.00 52.86 51.18 1x5t s ASN 54 Cb -0.05 -1.85 -0.03 0.00 -0.02 0.00 0.00 41.25 39.30 1x5t s ASN 54 CO -0.03 0.14 0.51 -0.36 -2.57 0.00 0.00 177.10 174.78 1x5t s PHE 55 N 0.56 3.49 0.13 2.20 0.08 -1.21 -2.76 117.98 120.48 1x5t s PHE 55 Ca -0.01 0.27 -0.28 0.00 0.12 0.00 0.00 56.93 57.03 1x5t s PHE 55 Cb -0.14 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1x5t s PHE 55 CO 0.02 0.19 1.60 0.00 -0.10 0.00 0.00 175.22 176.94 1x5t h ALA 56 N 0.86 -0.52 -2.43 5.36 0.00 -1.62 -3.44 119.26 117.47 1x5t h ALA 56 Ca -0.50 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 1x5t h ALA 56 Cb 1.22 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 19.52 1x5t h ALA 56 CO 0.61 -0.87 -0.64 0.45 0.00 0.00 0.00 179.25 178.80 1x5t s SER 57 N -4.85 0.54 0.27 0.00 0.15 -1.26 -4.99 113.70 103.55 1x5t s SER 57 Ca -0.16 -1.27 -0.00 0.00 0.70 0.00 0.00 55.95 55.22 1x5t s SER 57 Cb 0.09 0.27 0.52 0.00 -1.71 0.00 0.00 66.02 65.19 1x5t s SER 57 CO 0.65 -0.73 1.82 -0.26 1.20 0.00 0.00 173.24 175.92 1x5t h PHE 58 N 2.72 1.02 -0.51 3.44 -1.00 -1.91 -2.32 116.94 118.38 1x5t h PHE 58 Ca -0.36 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.54 1x5t h PHE 58 Cb 1.22 -0.32 -0.10 0.00 3.61 0.00 0.00 35.95 40.36 1x5t h PHE 58 CO 0.43 0.38 -0.39 -0.44 -1.61 0.00 0.00 178.31 176.69 1x5t h ASP 59 N 0.89 -1.32 -0.80 2.17 5.19 -1.99 0.17 116.42 120.73 1x5t h ASP 59 Ca 0.47 0.22 0.07 0.00 -0.62 0.00 0.00 57.03 57.17 1x5t h ASP 59 Cb 0.50 0.61 -0.06 0.00 0.18 0.00 0.00 39.33 40.56 1x5t h ASP 59 CO -0.28 -0.33 0.48 0.00 -3.12 0.00 0.00 179.24 175.99 1x5t h ALA 60 N 0.69 1.11 -0.73 3.45 0.00 -1.81 -1.59 119.26 120.38 1x5t h ALA 60 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x5t h ALA 60 Cb 0.56 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1x5t h ALA 60 CO -0.63 0.19 0.39 0.77 0.00 0.00 0.00 179.25 179.97 1x5t h SER 61 N 0.87 0.91 -0.43 0.00 0.02 -0.74 -2.65 113.55 111.52 1x5t h SER 61 Ca 0.36 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1x5t h SER 61 Cb 0.21 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1x5t h SER 61 CO -0.19 0.73 0.22 -0.78 -1.14 0.00 0.00 176.83 175.68 1x5t h ASP 62 N 1.02 0.32 -0.06 3.07 1.82 0.25 -1.15 116.42 121.68 1x5t h ASP 62 Ca 0.26 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.96 1x5t h ASP 62 Cb 0.03 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 39.94 1x5t h ASP 62 CO -0.04 0.23 -0.39 0.00 -1.61 0.00 0.00 179.24 177.43 1x5t h ALA 63 N 1.23 -0.57 0.43 -0.78 0.00 -1.24 0.14 119.26 118.47 1x5t h ALA 63 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1x5t h ALA 63 Cb 0.09 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1x5t h ALA 63 CO -0.13 -0.90 -0.31 0.00 0.00 0.00 0.00 179.25 177.91 1x5t h ALA 64 N 0.13 -0.73 0.00 0.00 0.00 -1.47 0.84 119.26 118.03 1x5t h ALA 64 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x5t h ALA 64 Cb 0.62 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1x5t h ALA 64 CO -0.34 -0.93 0.34 0.82 0.00 0.00 0.00 179.25 179.13 1x5t h ILE 65 N -0.72 0.00 0.12 0.00 2.04 -0.95 1.76 117.51 119.75 1x5t h ILE 65 Ca -0.04 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.47 1x5t h ILE 65 Cb 0.62 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1x5t h ILE 65 CO 0.01 0.00 -1.86 -0.08 0.00 0.00 0.00 178.15 176.22 1x5t h GLU 66 N 0.00 0.25 0.00 2.37 4.57 0.27 -3.36 114.58 118.68 1x5t h GLU 66 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1x5t h GLU 66 Cb 0.68 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1x5t h GLU 66 CO 0.00 1.20 -0.70 0.00 -1.18 0.00 0.00 179.01 178.33 1x5t n ALA 67 N -3.04 1.34 0.21 2.92 0.00 0.17 -4.51 120.51 117.60 1x5t n ALA 67 Ca -0.31 -0.59 0.17 0.00 0.00 0.00 0.00 53.44 52.71 1x5t n ALA 67 Cb 1.00 0.08 0.69 0.00 0.00 0.00 0.00 19.45 21.22 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 -0.70 0.00 -5.10 0.00 2.86 0.24 -3.26 114.93 108.97 1x5t h MET 68 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 1x5t h MET 68 Cb 0.70 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.37 1x5t h MET 68 CO 0.00 0.00 1.17 -1.71 1.06 0.00 0.00 176.91 177.43 1x5t n ASN 69 N -3.18 2.32 0.00 1.22 2.85 -0.08 -1.71 115.26 116.69 1x5t n ASN 69 Ca 0.03 -2.63 0.00 0.00 -0.11 0.00 0.00 54.58 51.88 1x5t n ASN 69 Cb 0.60 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 40.18 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5t n GLY 70 N 5.47 1.29 3.62 8.20 0.00 -0.74 -4.85 105.19 118.19 1x5t n GLY 70 Ca 0.45 0.00 -0.46 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 -0.00 1.55 -2.54 1.61 1.13 -0.69 -4.61 117.38 113.82 1x5t n GLN 71 Ca 0.00 0.55 -0.41 0.00 -1.94 0.00 0.00 57.00 55.19 1x5t n GLN 71 Cb 0.00 -2.06 -0.03 0.00 0.11 0.00 0.00 30.24 28.26 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 -0.46 2.40 0.62 1.08 5.04 -1.26 -2.63 117.35 122.14 1x5t s TYR 72 Ca 0.66 0.20 0.03 0.00 -2.44 0.00 0.00 57.07 55.52 1x5t s TYR 72 Cb -0.73 -4.55 0.09 0.00 0.35 0.00 0.00 41.96 37.11 1x5t s TYR 72 CO 0.54 -1.87 0.86 -1.17 -1.34 0.00 0.00 175.55 172.57 1x5t s LEU 73 N 5.52 3.13 -0.35 6.97 2.96 -0.88 -4.84 118.68 131.19 1x5t s LEU 73 Ca 0.40 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1x5t s LEU 73 Cb -0.08 -2.17 -0.12 0.00 0.50 0.00 0.00 46.19 44.32 1x5t s LEU 73 CO 0.20 -1.49 0.77 0.00 -1.32 0.00 0.00 176.35 174.51 1x5t n ASN 75 N 2.05 0.48 -3.15 0.00 4.13 -1.26 -4.61 115.26 112.90 1x5t n ASN 75 Ca 0.24 -0.94 0.05 0.00 1.68 0.00 0.00 54.58 55.61 1x5t n ASN 75 Cb 0.05 -1.16 -0.02 0.00 -1.54 0.00 0.00 39.78 37.11 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x5t s ARG 76 N -6.25 0.21 -0.29 3.52 0.52 0.21 -4.98 118.95 111.90 1x5t s ARG 76 Ca 0.02 0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 55.32 1x5t s ARG 76 Cb -0.01 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 1x5t s ARG 76 CO 0.73 -0.24 1.66 -1.25 0.02 0.00 0.00 175.30 176.22 1x5t s PRO 77 N 2.95 3.58 0.50 3.54 0.04 -1.26 -2.06 135.00 142.28 1x5t s PRO 77 Ca 0.02 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1x5t s PRO 77 Cb -0.10 -4.10 0.02 0.00 0.04 0.00 0.00 34.50 30.35 1x5t s PRO 77 CO -0.12 -1.56 0.72 0.96 0.04 0.00 0.00 177.00 177.03 1x5t s ILE 78 N 5.92 3.21 0.05 0.56 -4.36 -1.08 -4.75 121.20 120.74 1x5t s ILE 78 Ca 0.73 -0.63 0.03 0.00 -0.26 0.00 0.00 60.65 60.52 1x5t s ILE 78 Cb -0.22 -3.18 -0.03 0.00 1.25 0.00 0.00 42.46 40.28 1x5t s ILE 78 CO 0.32 -0.12 -0.09 0.28 0.24 0.00 0.00 174.94 175.56 1x5t s THR 79 N -2.65 0.66 -0.19 8.37 -1.32 -1.15 -1.79 115.64 117.58 1x5t s THR 79 Ca 0.54 -1.14 -0.00 0.00 -1.21 0.00 0.00 61.69 59.87 1x5t s THR 79 Cb -0.10 -0.73 0.05 0.00 -1.51 0.00 0.00 72.50 70.21 1x5t s THR 79 CO 0.38 -0.36 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.69 1x5t s VAL 80 N -1.40 1.20 0.01 5.08 1.01 -1.26 -3.35 120.40 121.68 1x5t s VAL 80 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1x5t s VAL 80 Cb -0.10 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1x5t s VAL 80 CO 0.01 0.01 -0.05 -0.44 0.00 0.00 0.00 175.10 174.62 1x5t s SER 81 N 1.57 0.63 -0.42 3.32 0.01 -0.93 -4.51 113.70 113.37 1x5t s SER 81 Ca -0.02 -0.18 -0.35 0.00 1.31 0.00 0.00 55.95 56.71 1x5t s SER 81 Cb -0.17 -0.04 -0.12 0.00 0.21 0.00 0.00 66.02 65.90 1x5t s SER 81 CO -0.07 0.01 2.24 -1.22 0.41 0.00 0.00 173.24 174.61 1x5t n TYR 82 N 2.66 1.47 -0.33 2.43 4.01 -1.26 -0.96 117.16 125.17 1x5t n TYR 82 Ca -0.15 0.31 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1x5t n TYR 82 Cb 0.58 -2.51 -0.06 0.00 -0.31 0.00 0.00 39.34 37.03 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 12.68 -0.41 -3.57 -0.72 0.00 -1.73 -3.42 119.26 122.09 1x5t h ALA 83 Ca -0.24 0.13 -0.37 0.00 0.00 0.00 0.00 54.91 54.44 1x5t h ALA 83 Cb 1.32 1.20 -0.24 0.00 0.00 0.00 0.00 17.79 20.07 1x5t h ALA 83 CO 1.06 -0.89 -0.77 -0.06 0.00 0.00 0.00 179.25 178.60 1x5t s PHE 84 N -5.67 0.91 -0.72 0.00 0.40 -1.26 -4.93 117.98 106.71 1x5t s PHE 84 Ca -0.13 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1x5t s PHE 84 Cb 0.13 -0.55 0.18 0.00 0.51 0.00 0.00 43.02 43.29 1x5t s PHE 84 CO 0.64 -0.01 0.54 0.21 0.70 0.00 0.00 175.22 177.30 1x5t s LYS 85 N -1.15 2.70 -0.69 0.44 2.47 -1.26 -4.91 119.74 117.33 1x5t s LYS 85 Ca -0.02 -2.97 -0.26 0.00 -1.56 0.00 0.00 55.97 51.16 1x5t s LYS 85 Cb -0.08 -3.68 -0.08 0.00 -1.46 0.00 0.00 37.83 32.53 1x5t s LYS 85 CO 0.01 -1.22 2.24 0.15 0.16 0.00 0.00 175.35 176.69 1x5t s LYS 86 N -0.82 2.08 0.52 4.03 3.01 -1.26 -4.93 119.74 122.36 1x5t s LYS 86 Ca 0.22 0.64 -0.03 0.00 -1.01 0.00 0.00 55.97 55.79 1x5t s LYS 86 Cb -0.14 -4.72 0.11 0.00 -1.01 0.00 0.00 37.83 32.08 1x5t s LYS 86 CO -0.09 -3.65 0.71 -3.47 0.51 0.00 0.00 175.35 169.36 1x5t n ASP 87 N 16.11 0.66 -4.14 2.83 2.03 -1.26 -4.49 116.55 128.29 1x5t n ASP 87 Ca 0.39 -1.62 -0.28 0.00 0.52 0.00 0.00 54.79 53.79 1x5t n ASP 87 Cb 0.49 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 1x5t n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x5t n SER 88 N -3.11 0.17 -4.55 1.67 7.64 -1.26 -4.77 113.62 109.42 1x5t n SER 88 Ca 0.11 -1.13 -0.37 0.00 1.01 0.00 0.00 58.87 58.49 1x5t n SER 88 Cb 0.38 -2.36 -0.03 0.00 -1.01 0.00 0.00 64.21 61.19 1x5t n SER 88 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1x5t s LYS 89 N -6.95 2.41 7.87 1.43 1.02 -1.26 -4.74 119.74 119.52 1x5t s LYS 89 Ca 0.03 0.87 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1x5t s LYS 89 Cb -0.02 -4.49 0.00 0.00 -0.52 0.00 0.00 37.83 32.80 1x5t s LYS 89 CO 0.94 -2.99 0.00 0.41 -0.92 0.00 0.00 175.35 172.79 1x5t n GLY 90 N 5.87 4.16 3.47 -3.33 0.00 -1.26 -4.78 105.19 109.32 1x5t n GLY 90 Ca 0.27 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.00 -0.53 -0.01 1.61 1.04 -1.26 -5.18 113.70 105.37 1x5t s SER 91 Ca 0.00 0.20 -0.03 0.00 0.48 0.00 0.00 55.95 56.59 1x5t s SER 91 Cb 0.00 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1x5t s SER 91 CO 0.00 -0.76 0.07 -0.83 0.98 0.00 0.00 173.24 172.69 1x5t s GLY 92 N -2.21 0.05 0.02 7.32 0.00 -1.26 -5.06 107.32 106.18 1x5t s GLY 92 Ca -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.38 1x5t s GLY 92 CO -0.06 -0.17 1.31 -0.56 0.00 0.00 0.00 173.10 173.62 1x5t h PRO 93 N 5.12 0.22 -6.27 2.90 0.13 -2.03 -3.46 132.00 128.61 1x5t h PRO 93 Ca -0.28 -0.11 -0.37 0.00 -0.87 0.00 0.00 66.00 64.36 1x5t h PRO 93 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1x5t h PRO 93 CO 0.43 0.64 -0.54 0.43 -0.23 0.00 0.00 178.00 178.73 1x5t n SER 94 N -4.67 -1.48 -4.85 1.44 7.64 -1.26 -4.87 113.62 105.58 1x5t n SER 94 Ca -0.07 -0.54 -0.32 0.00 1.01 0.00 0.00 58.87 58.95 1x5t n SER 94 Cb 0.32 -1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 62.17 1x5t n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5t s SER 95 N -2.72 6.34 0.00 6.43 1.04 -1.26 -5.36 113.70 118.17 1x5t s SER 95 Ca 0.50 1.54 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1x5t s SER 95 Cb -0.29 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1x5t s SER 95 CO 0.61 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.65