#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2y s HIS 2 N 0.00 1.54 -0.42 1.12 -0.00 -1.26 -4.86 115.29 111.42 1y2y s HIS 2 Ca 0.00 -1.26 -0.23 0.00 -0.00 0.00 0.00 55.06 53.58 1y2y s HIS 2 Cb 0.00 -0.87 0.03 0.00 -0.00 0.00 0.00 32.58 31.74 1y2y s HIS 2 CO 0.00 -0.41 0.57 -0.11 -0.00 0.00 0.00 174.74 174.79 1y2y n LEU 3 N -0.50 -6.05 -4.71 5.38 -0.00 -1.25 -4.94 117.00 104.92 1y2y n LEU 3 Ca 0.00 0.35 -0.23 0.00 -0.00 0.00 0.00 56.01 56.14 1y2y n LEU 3 Cb 0.66 -2.76 -0.06 0.00 -0.00 0.00 0.00 43.42 41.25 1y2y n LEU 3 CO 0.36 -1.61 -0.24 -0.32 -0.00 0.00 0.00 177.39 175.58 1y2y s MET 4 N -2.46 2.43 -0.02 1.96 1.75 -0.64 -4.86 119.30 117.46 1y2y s MET 4 Ca 0.28 -1.43 -0.00 0.00 -1.25 0.00 0.00 55.69 53.29 1y2y s MET 4 Cb -0.05 -2.23 0.03 0.00 2.84 0.00 0.00 34.83 35.42 1y2y s MET 4 CO 0.78 0.25 0.03 1.52 -0.65 0.00 0.00 175.02 176.95 1y2y s TYR 5 N -2.35 0.06 -0.05 4.11 1.13 -1.25 -1.46 117.35 117.55 1y2y s TYR 5 Ca 0.35 0.14 0.02 0.00 -1.41 0.00 0.00 57.07 56.17 1y2y s TYR 5 Cb -0.05 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 1y2y s TYR 5 CO 0.22 -0.11 -0.09 0.95 -2.51 0.00 0.00 175.55 174.01 1y2y s THR 6 N 1.28 3.52 -0.01 -3.49 -4.23 -0.92 -4.73 115.64 107.06 1y2y s THR 6 Ca -0.06 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1y2y s THR 6 Cb -0.13 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1y2y s THR 6 CO -0.03 0.56 0.55 0.18 -0.54 0.00 0.00 174.62 175.35 1y2y n LEU 7 N 2.13 1.11 -0.34 4.79 4.77 -0.23 0.94 117.00 130.18 1y2y n LEU 7 Ca -0.17 -1.10 0.17 0.00 -0.03 0.00 0.00 56.01 54.88 1y2y n LEU 7 Cb 0.53 -0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.94 1y2y n LEU 7 CO 0.27 0.28 0.82 0.61 -1.33 0.00 0.00 177.39 178.04 1y2y n GLY 8 N -0.04 -1.27 0.38 -0.72 0.00 -1.26 0.25 105.19 102.53 1y2y n GLY 8 Ca 0.00 0.95 0.15 0.00 0.00 0.00 0.00 46.02 47.12 1y2y n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y2y h PRO 9 N 0.00 0.53 0.00 1.61 0.13 -1.88 -3.41 132.00 128.98 1y2y h PRO 9 Ca 0.63 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.73 1y2y h PRO 9 Cb 1.36 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1y2y h PRO 9 CO -0.91 0.35 0.00 -0.25 -0.23 0.00 0.00 178.00 176.96 1y2y n ASP 10 N -4.54 0.00 0.00 1.44 8.00 0.12 -4.96 116.55 116.60 1y2y n ASP 10 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1y2y n ASP 10 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1y2y n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y2y n GLY 11 N 0.00 1.93 3.97 0.44 0.00 0.69 -5.09 105.19 107.13 1y2y n GLY 11 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1y2y n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y2y s LYS 12 N -0.87 2.72 -0.59 1.61 3.01 -1.16 -4.88 119.74 119.57 1y2y s LYS 12 Ca 0.00 -0.72 0.02 0.00 -1.01 0.00 0.00 55.97 54.26 1y2y s LYS 12 Cb 0.00 -2.53 0.41 0.00 -1.01 0.00 0.00 37.83 34.70 1y2y s LYS 12 CO 0.00 -0.55 1.57 0.54 0.51 0.00 0.00 175.35 177.42 1y2y n ARG 13 N -2.23 3.12 -1.01 1.68 1.74 -1.09 -1.07 116.66 117.80 1y2y n ARG 13 Ca 0.06 -3.95 -0.17 0.00 -0.77 0.00 0.00 57.85 53.02 1y2y n ARG 13 Cb 0.59 -2.27 -0.14 0.00 -1.02 0.00 0.00 32.46 29.62 1y2y n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1y2y n ILE 14 N -0.59 0.00 -2.11 0.55 5.41 0.27 -4.33 119.36 118.55 1y2y n ILE 14 Ca 0.48 -0.27 -0.42 0.00 1.00 0.00 0.00 62.75 63.54 1y2y n ILE 14 Cb 0.55 -0.07 -0.03 0.00 -0.71 0.00 0.00 39.64 39.39 1y2y n ILE 14 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1y2y s TYR 15 N 1.21 2.33 -0.29 1.39 2.02 0.24 -2.16 117.35 122.09 1y2y s TYR 15 Ca 0.90 0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 58.02 1y2y s TYR 15 Cb -0.63 -3.80 0.19 0.00 -0.40 0.00 0.00 41.96 37.32 1y2y s TYR 15 CO 0.37 -3.23 0.84 -0.08 -1.57 0.00 0.00 175.55 171.89 1y2y s THR 16 N 3.50 -0.59 -0.12 -0.71 -1.32 -0.53 -4.35 115.64 111.53 1y2y s THR 16 Ca 0.68 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 61.11 1y2y s THR 16 Cb -0.32 -0.59 -0.17 0.00 -1.51 0.00 0.00 72.50 69.92 1y2y s THR 16 CO 0.27 0.00 3.33 0.18 -2.21 0.00 0.00 174.62 176.18 1y2y n LEU 17 N 5.25 5.57 0.00 9.08 4.32 -1.26 -1.62 117.00 138.35 1y2y n LEU 17 Ca 0.07 -3.38 0.00 0.00 -0.02 0.00 0.00 56.01 52.69 1y2y n LEU 17 Cb 0.56 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.00 1y2y n LEU 17 CO -0.12 1.67 0.00 1.17 -1.22 0.00 0.00 177.39 178.90 1y2y n LYS 18 N 2.02 0.00 0.00 3.23 3.00 -1.26 -3.91 118.16 121.24 1y2y n LYS 18 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1y2y n LYS 18 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.84 1y2y n LYS 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1y2y n LYS 19 N 0.00 0.00 0.00 1.64 3.00 -1.26 -4.73 118.16 116.81 1y2y n LYS 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1y2y n LYS 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1y2y n LYS 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1y2y n VAL 20 N 0.00 0.00 -2.01 3.15 0.31 -1.26 -5.04 118.33 113.48 1y2y n VAL 20 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1y2y n VAL 20 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1y2y n VAL 20 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1y2y s THR 21 N 0.00 3.43 0.30 2.52 2.01 -1.26 -4.08 115.64 118.55 1y2y s THR 21 Ca 0.00 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.57 1y2y s THR 21 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1y2y s THR 21 CO 0.00 -0.88 0.00 -0.62 -0.69 0.00 0.00 174.62 172.43 1y2y n GLU 22 N 8.75 0.00 -2.32 4.92 1.02 -1.26 -5.15 120.64 126.60 1y2y n GLU 22 Ca 0.41 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.30 1y2y n GLU 22 Cb 0.47 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.00 1y2y n GLU 22 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1y2y s SER 23 N -2.23 4.16 0.00 1.62 0.01 -1.26 -4.20 113.70 111.79 1y2y s SER 23 Ca 0.00 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1y2y s SER 23 Cb 0.00 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1y2y s SER 23 CO 0.00 -2.01 0.00 0.61 0.41 0.00 0.00 173.24 172.25 1y2y n GLY 24 N -3.09 0.62 0.39 3.44 0.00 -1.26 -4.74 105.19 100.55 1y2y n GLY 24 Ca 0.13 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.54 1y2y n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1y2y h GLU 25 N 0.00 0.00 -6.20 1.61 4.81 -1.99 -3.43 114.58 109.39 1y2y h GLU 25 Ca 0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 1y2y h GLU 25 Cb 0.00 0.00 0.16 0.00 0.63 0.00 0.00 28.75 29.54 1y2y h GLU 25 CO 0.00 0.00 -0.68 1.51 -0.73 0.00 0.00 179.01 179.11 1y2y n ILE 26 N -3.17 1.23 0.21 2.32 0.00 -1.26 -4.76 119.36 113.93 1y2y n ILE 26 Ca 0.06 -0.50 0.18 0.00 0.00 0.00 0.00 62.75 62.49 1y2y n ILE 26 Cb 0.77 -0.30 0.84 0.00 0.00 0.00 0.00 39.64 40.95 1y2y n ILE 26 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1y2y h THR 27 N 0.46 0.41 0.00 9.51 2.02 -1.84 -3.46 112.91 120.01 1y2y h THR 27 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1y2y h THR 27 Cb 1.42 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1y2y h THR 27 CO 0.48 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.54 1y2y n LYS 28 N -3.70 0.00 0.00 6.66 4.81 -1.26 -5.10 118.16 119.57 1y2y n LYS 28 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1y2y n LYS 28 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 1y2y n LYS 28 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1y2y n SER 29 N 0.00 -0.30 -3.84 3.14 3.41 -1.26 -4.28 113.62 110.49 1y2y n SER 29 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1y2y n SER 29 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1y2y n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y2y n ALA 30 N 1.76 5.55 -2.74 7.33 0.00 -1.26 -3.40 120.51 127.75 1y2y n ALA 30 Ca 0.00 -4.47 -0.09 0.00 0.00 0.00 0.00 53.44 48.88 1y2y n ALA 30 Cb 0.00 -2.69 0.08 0.00 0.00 0.00 0.00 19.45 16.84 1y2y n ALA 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y2y n HIS 31 N 2.46 -1.49 0.44 0.00 -0.00 -1.26 -3.74 115.22 111.63 1y2y n HIS 31 Ca 0.39 -2.33 0.13 0.00 -0.00 0.00 0.00 57.72 55.91 1y2y n HIS 31 Cb 0.33 0.98 0.47 0.00 -0.00 0.00 0.00 29.99 31.77 1y2y n HIS 31 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1y2y h PRO 32 N 2.51 0.00 0.00 -0.41 0.13 -1.90 -3.44 132.00 128.89 1y2y h PRO 32 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1y2y h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1y2y h PRO 32 CO 0.15 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.92 1y2y n ALA 33 N -1.84 0.00 -1.28 -0.56 0.00 -1.26 -4.95 120.51 110.62 1y2y n ALA 33 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1y2y n ALA 33 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1y2y n ALA 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y2y n ARG 34 N 0.00 0.00 -1.64 0.00 1.74 -1.26 -5.14 116.66 110.36 1y2y n ARG 34 Ca 0.00 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 1y2y n ARG 34 Cb 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 1y2y n ARG 34 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1y2y n PHE 35 N 0.00 -3.25 0.00 -1.55 1.16 -1.25 -4.99 117.46 107.59 1y2y n PHE 35 Ca 0.00 1.71 0.00 0.00 -1.87 0.00 0.00 57.45 57.29 1y2y n PHE 35 Cb 0.54 -2.66 0.00 0.00 -1.61 0.00 0.00 39.48 35.75 1y2y n PHE 35 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y2y n SER 36 N -0.19 0.00 -3.23 5.98 2.88 -1.25 -4.90 113.62 112.91 1y2y n SER 36 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1y2y n SER 36 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1y2y n SER 36 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1y2y n PRO 37 N 0.00 0.77 -0.53 -1.46 -0.02 -1.26 -4.57 135.00 127.93 1y2y n PRO 37 Ca 0.00 -0.13 0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1y2y n PRO 37 Cb 0.00 -0.44 0.67 0.00 -0.02 0.00 0.00 33.50 33.70 1y2y n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y2y n ASP 38 N -0.15 0.09 -1.03 2.55 5.75 -1.26 -4.45 116.55 118.04 1y2y n ASP 38 Ca 0.01 1.04 -0.13 0.00 -0.01 0.00 0.00 54.79 55.70 1y2y n ASP 38 Cb 0.05 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 1y2y n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1y2y n ASP 39 N -4.06 -5.39 -2.71 -1.12 -0.08 -1.22 -2.21 116.55 99.76 1y2y n ASP 39 Ca 0.38 0.33 -0.05 0.00 -1.51 0.00 0.00 54.79 53.94 1y2y n ASP 39 Cb 1.60 -4.08 -0.01 0.00 2.34 0.00 0.00 41.12 40.98 1y2y n ASP 39 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1y2y n LYS 40 N -1.58 -2.76 0.00 -0.67 4.76 -1.26 -4.25 118.16 112.39 1y2y n LYS 40 Ca -0.13 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1y2y n LYS 40 Cb 0.57 -4.53 0.00 0.00 -1.84 0.00 0.00 35.03 29.23 1y2y n LYS 40 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1y2y n TYR 41 N -2.67 0.00 0.00 2.13 4.01 -0.95 0.79 117.16 120.47 1y2y n TYR 41 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1y2y n TYR 41 Cb 0.50 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1y2y n TYR 41 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1y2y n SER 42 N -0.86 0.00 -0.10 7.72 2.88 -1.26 -3.77 113.62 118.23 1y2y n SER 42 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1y2y n SER 42 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1y2y n SER 42 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1y2y n ARG 43 N -0.72 -0.10 -3.57 -1.46 0.63 -1.26 -4.63 116.66 105.54 1y2y n ARG 43 Ca 0.00 0.87 -0.16 0.00 -0.92 0.00 0.00 57.85 57.65 1y2y n ARG 43 Cb 0.00 -1.30 -0.06 0.00 0.45 0.00 0.00 32.46 31.55 1y2y n ARG 43 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1y2y s GLN 44 N -3.72 0.99 0.14 -0.14 -0.44 -1.26 -4.63 119.66 110.60 1y2y s GLN 44 Ca -0.03 0.01 0.00 0.00 -2.50 0.00 0.00 55.36 52.85 1y2y s GLN 44 Cb 0.03 0.46 0.00 0.00 -1.64 0.00 0.00 33.01 31.85 1y2y s GLN 44 CO 0.14 -0.32 0.00 0.54 0.50 0.00 0.00 175.29 176.15 1y2y n ARG 45 N 0.78 0.00 0.00 1.67 1.74 -1.26 -5.04 116.66 114.55 1y2y n ARG 45 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1y2y n ARG 45 Cb 0.58 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 1y2y n ARG 45 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1y2y n VAL 46 N -3.31 0.00 -0.58 1.55 0.31 -1.26 -5.13 118.33 109.92 1y2y n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1y2y n VAL 46 Cb 0.07 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1y2y n VAL 46 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1y2y n THR 47 N -2.08 0.00 -2.02 2.52 -2.24 -1.26 -4.99 114.28 104.21 1y2y n THR 47 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1y2y n THR 47 Cb 0.00 -1.81 0.03 0.00 -2.10 0.00 0.00 70.33 66.45 1y2y n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y2y n LEU 48 N 0.00 6.21 -4.77 3.22 -0.00 -1.26 -4.98 117.00 115.42 1y2y n LEU 48 Ca 0.00 -4.86 -0.40 0.00 -0.00 0.00 0.00 56.01 50.75 1y2y n LEU 48 Cb 0.00 -0.73 -0.01 0.00 -0.00 0.00 0.00 43.42 42.67 1y2y n LEU 48 CO 0.00 1.93 1.00 -0.54 -0.00 0.00 0.00 177.39 179.77 1y2y s LYS 49 N -3.78 4.22 -0.35 1.47 1.02 -1.26 -4.94 119.74 116.12 1y2y s LYS 49 Ca 0.53 2.26 0.07 0.00 0.02 0.00 0.00 55.97 58.84 1y2y s LYS 49 Cb 0.43 -2.98 0.49 0.00 -0.52 0.00 0.00 37.83 35.25 1y2y s LYS 49 CO -0.20 -0.31 1.48 1.63 -0.92 0.00 0.00 175.35 177.03 1y2y n LYS 50 N 0.58 2.42 -2.72 1.68 5.02 -1.26 -4.76 118.16 119.13 1y2y n LYS 50 Ca 0.01 -3.47 -0.21 0.00 -2.02 0.00 0.00 58.31 52.62 1y2y n LYS 50 Cb 0.42 -2.01 0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1y2y n LYS 50 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1y2y s ARG 51 N -3.43 2.39 0.00 1.97 1.81 -1.26 -4.36 118.95 116.06 1y2y s ARG 51 Ca 0.49 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.51 1y2y s ARG 51 Cb 0.42 -2.51 0.00 0.00 -0.45 0.00 0.00 34.95 32.41 1y2y s ARG 51 CO 0.01 -0.81 0.00 0.34 -0.68 0.00 0.00 175.30 174.16 1y2y n PHE 52 N -2.36 0.00 -2.94 -0.53 7.35 -0.94 -4.22 117.46 113.82 1y2y n PHE 52 Ca 0.10 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.50 1y2y n PHE 52 Cb 0.60 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.39 1y2y n PHE 52 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1y2y n GLY 53 N -2.00 5.61 1.45 7.13 0.00 -1.26 -4.36 105.19 111.77 1y2y n GLY 53 Ca 0.00 -2.76 0.19 0.00 0.00 0.00 0.00 46.02 43.45 1y2y n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y2y n LEU 54 N -0.11 -0.84 0.19 0.99 4.77 -1.26 -4.86 117.00 115.88 1y2y n LEU 54 Ca 0.33 1.91 0.00 0.00 -0.03 0.00 0.00 56.01 58.21 1y2y n LEU 54 Cb 0.37 -4.63 0.00 0.00 -2.33 0.00 0.00 43.42 36.83 1y2y n LEU 54 CO 0.37 -3.23 0.00 0.52 -1.33 0.00 0.00 177.39 173.72 1y2y n VAL 55 N -4.29 0.00 -0.45 4.08 0.31 -1.26 -4.12 118.33 112.60 1y2y n VAL 55 Ca -0.03 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.65 1y2y n VAL 55 Cb 0.68 0.00 0.55 0.00 -0.91 0.00 0.00 33.84 34.17 1y2y n VAL 55 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1y2y n PRO 56 N -3.37 -0.01 0.00 5.55 -0.01 -1.26 -4.61 135.00 131.29 1y2y n PRO 56 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 63.50 64.31 1y2y n PRO 56 Cb 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 33.50 31.70 1y2y n PRO 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1y2y n GLY 57 N -1.56 -0.29 0.00 -1.23 0.00 -1.26 -5.09 105.19 95.76 1y2y n GLY 57 Ca 0.31 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1y2y n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93