#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1y h GLU 2 N 0.00 0.79 -0.36 0.03 4.11 -2.05 0.31 114.58 117.42 3a1y h GLU 2 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 3a1y h GLU 2 Cb 0.00 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3a1y h GLU 2 CO 0.00 0.52 0.11 1.88 0.07 0.00 0.00 179.01 181.59 3a1y h TYR 3 N 0.81 0.57 -0.60 2.06 0.05 -1.99 -2.27 116.97 115.60 3a1y h TYR 3 Ca 0.47 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 59.15 3a1y h TYR 3 Cb 0.62 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 3a1y h TYR 3 CO -0.00 0.55 0.21 0.28 -1.05 0.00 0.00 178.16 178.16 3a1y h VAL 4 N 0.42 1.24 -0.64 -2.88 2.07 -1.44 -1.90 116.25 113.12 3a1y h VAL 4 Ca 0.11 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 3a1y h VAL 4 Cb 0.25 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3a1y h VAL 4 CO -0.00 0.30 0.22 1.88 0.02 0.00 0.00 177.57 179.99 3a1y h TYR 5 N 0.85 1.00 -0.62 1.57 0.05 -0.46 -0.80 116.97 118.56 3a1y h TYR 5 Ca 0.20 -0.09 0.09 0.00 0.05 0.00 0.00 58.73 58.98 3a1y h TYR 5 Cb 0.25 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 37.62 3a1y h TYR 5 CO 0.01 0.81 0.25 0.00 -1.05 0.00 0.00 178.16 178.18 3a1y h ALA 6 N 1.09 0.81 0.00 3.88 0.00 -1.27 -0.08 119.26 123.69 3a1y h ALA 6 Ca 0.21 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3a1y h ALA 6 Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a1y h ALA 6 CO -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.08 3a1y h ALA 7 N 1.41 -0.00 -0.16 0.00 0.00 -0.75 -2.24 119.26 117.52 3a1y h ALA 7 Ca 0.31 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3a1y h ALA 7 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3a1y h ALA 7 CO -0.29 -0.47 -0.37 -0.07 0.00 0.00 0.00 179.25 178.05 3a1y h LEU 8 N -0.06 0.36 0.04 0.00 3.38 -0.95 -0.08 115.31 118.00 3a1y h LEU 8 Ca -0.00 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3a1y h LEU 8 Cb 0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3a1y h LEU 8 CO 0.00 0.71 -0.22 0.25 0.09 0.00 0.00 178.44 179.26 3a1y h LEU 9 N 0.29 -0.65 -0.27 1.67 5.85 -0.95 0.35 115.31 121.60 3a1y h LEU 9 Ca 0.03 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3a1y h LEU 9 Cb 0.80 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3a1y h LEU 9 CO 0.06 -0.30 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.64 3a1y h LEU 10 N -0.38 -0.52 -0.75 2.25 4.07 -0.83 -1.91 115.31 117.24 3a1y h LEU 10 Ca 0.05 0.12 0.03 0.00 0.08 0.00 0.00 57.88 58.16 3a1y h LEU 10 Cb 0.44 0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 3a1y h LEU 10 CO -0.18 -0.19 0.47 -0.74 -1.08 0.00 0.00 178.44 176.72 3a1y h HIS 11 N -0.13 0.88 0.00 1.13 2.76 -0.79 0.14 115.15 119.15 3a1y h HIS 11 Ca 0.15 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3a1y h HIS 11 Cb 0.35 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3a1y h HIS 11 CO -0.34 0.50 -0.22 0.66 -1.30 0.00 0.00 177.93 177.23 3a1y h SER 12 N 0.91 0.00 -0.67 3.26 4.64 0.43 -1.88 113.55 120.25 3a1y h SER 12 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3a1y h SER 12 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3a1y h SER 12 CO -0.12 0.22 0.00 1.33 -0.87 0.00 0.00 176.83 177.39 3a1y n VAL 13 N -3.95 1.51 -1.26 0.95 0.24 -0.82 -4.96 118.33 110.05 3a1y n VAL 13 Ca -0.02 -1.13 -0.03 0.00 -2.04 0.00 0.00 64.34 61.12 3a1y n VAL 13 Cb 0.30 0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 3a1y n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a1y n GLY 14 N 1.28 0.56 3.87 7.63 0.00 -0.71 -5.03 105.19 112.78 3a1y n GLY 14 Ca 0.25 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 3a1y n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1y s LYS 15 N -2.59 3.35 0.16 1.61 -0.14 0.44 -5.00 119.74 117.58 3a1y s LYS 15 Ca 0.00 -0.30 -0.31 0.00 -1.36 0.00 0.00 55.97 54.00 3a1y s LYS 15 Cb 0.00 -3.07 -0.09 0.00 -1.68 0.00 0.00 37.83 32.99 3a1y s LYS 15 CO 0.00 0.70 1.48 -2.00 -0.76 0.00 0.00 175.35 174.77 3a1y s GLU 16 N -1.61 4.27 -0.92 1.68 2.56 -1.26 -3.77 118.70 119.64 3a1y s GLU 16 Ca 0.23 2.24 -0.24 0.00 0.00 0.00 0.00 54.97 57.19 3a1y s GLU 16 Cb -0.12 -3.18 0.05 0.00 2.00 0.00 0.00 34.13 32.87 3a1y s GLU 16 CO 0.13 -0.50 1.38 0.42 -0.56 0.00 0.00 175.26 176.12 3a1y s ILE 17 N 0.92 3.90 0.41 -3.70 1.01 -1.26 -4.76 121.20 117.71 3a1y s ILE 17 Ca 0.66 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.91 3a1y s ILE 17 Cb -0.41 -5.00 -0.02 0.00 0.01 0.00 0.00 42.46 37.04 3a1y s ILE 17 CO 0.33 -1.89 0.12 0.54 0.00 0.00 0.00 174.94 174.04 3a1y s ASN 18 N 4.53 2.86 0.19 3.58 6.03 -1.26 -4.91 114.94 125.96 3a1y s ASN 18 Ca 0.42 -1.67 -0.12 0.00 -1.03 0.00 0.00 52.86 50.46 3a1y s ASN 18 Cb -0.03 0.50 0.12 0.00 -3.03 0.00 0.00 41.25 38.80 3a1y s ASN 18 CO -0.02 -0.92 1.85 -0.08 -2.03 0.00 0.00 177.10 175.89 3a1y h GLU 19 N 1.77 0.88 -0.21 3.55 4.22 -1.92 -2.37 114.58 120.51 3a1y h GLU 19 Ca -0.36 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 58.99 3a1y h GLU 19 Cb 1.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3a1y h GLU 19 CO 0.58 0.61 0.02 0.93 -2.18 0.00 0.00 179.01 178.96 3a1y h GLU 20 N 0.90 0.36 -0.28 1.92 3.07 -1.97 -1.60 114.58 116.96 3a1y h GLU 20 Ca 0.24 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3a1y h GLU 20 Cb -0.07 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3a1y h GLU 20 CO -0.05 0.53 0.04 -0.91 -1.40 0.00 0.00 179.01 177.22 3a1y h ASN 21 N 0.14 0.45 -0.03 1.42 -0.26 -1.84 -2.40 115.58 113.06 3a1y h ASN 21 Ca 0.06 -0.27 0.03 0.00 -0.56 0.00 0.00 56.30 55.57 3a1y h ASN 21 Cb 0.35 -0.12 -0.04 0.00 -1.06 0.00 0.00 38.32 37.45 3a1y h ASN 21 CO 0.01 0.60 -0.20 -0.07 -1.06 0.00 0.00 177.43 176.71 3a1y h LEU 22 N 0.28 -0.59 -0.53 1.61 4.07 -1.43 -2.50 115.31 116.22 3a1y h LEU 22 Ca 0.08 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.23 3a1y h LEU 22 Cb 0.35 0.25 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 3a1y h LEU 22 CO 0.01 -0.26 0.10 0.50 -1.08 0.00 0.00 178.44 177.70 3a1y h LYS 23 N -0.31 0.23 -0.18 1.13 3.64 -1.21 -1.94 116.57 117.93 3a1y h LYS 23 Ca 0.07 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3a1y h LYS 23 Cb 0.40 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3a1y h LYS 23 CO -0.20 0.15 0.09 0.00 -2.27 0.00 0.00 179.45 177.22 3a1y h ALA 24 N 1.42 0.24 -0.44 5.00 0.00 -1.21 -0.65 119.26 123.62 3a1y h ALA 24 Ca 0.27 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3a1y h ALA 24 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3a1y h ALA 24 CO -0.35 -0.21 0.23 0.28 0.00 0.00 0.00 179.25 179.20 3a1y h VAL 25 N 0.17 0.98 -0.40 0.00 2.07 -1.33 -0.25 116.25 117.50 3a1y h VAL 25 Ca 0.06 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3a1y h VAL 25 Cb 0.11 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3a1y h VAL 25 CO -0.01 0.08 0.05 -0.07 0.02 0.00 0.00 177.57 177.65 3a1y h LEU 26 N 0.45 0.64 -1.17 2.57 -0.00 -1.16 -0.74 115.31 115.91 3a1y h LEU 26 Ca 0.18 -0.27 -0.05 0.00 -0.00 0.00 0.00 57.88 57.74 3a1y h LEU 26 Cb 0.08 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 3a1y h LEU 26 CO -0.12 0.75 0.00 1.56 -0.00 0.00 0.00 178.44 180.63 3a1y h GLN 27 N 0.51 0.58 -0.08 1.13 4.20 -0.97 -1.94 115.11 118.54 3a1y h GLN 27 Ca 0.12 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 3a1y h GLN 27 Cb 0.39 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3a1y h GLN 27 CO 0.01 0.60 -0.28 0.00 -0.67 0.00 0.00 178.83 178.49 3a1y h ALA 28 N 1.46 1.38 0.00 3.87 0.00 -0.74 -1.05 119.26 124.18 3a1y h ALA 28 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a1y h ALA 28 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3a1y h ALA 28 CO 0.01 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3a1y n ALA 29 N -2.48 1.87 -0.37 0.00 0.00 -0.31 -4.88 120.51 114.34 3a1y n ALA 29 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3a1y n ALA 29 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3a1y n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1y n GLY 30 N 0.26 0.79 3.59 0.00 0.00 -0.40 -5.08 105.19 104.35 3a1y n GLY 30 Ca 0.06 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 3a1y n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1y s VAL 31 N -2.00 3.32 -0.50 1.61 0.11 -1.01 -5.01 120.40 116.93 3a1y s VAL 31 Ca 0.00 -1.53 -0.18 0.00 -2.93 0.00 0.00 61.98 57.34 3a1y s VAL 31 Cb 0.00 -2.63 0.06 0.00 -1.53 0.00 0.00 36.38 32.28 3a1y s VAL 31 CO 0.00 -0.06 0.55 -0.70 -3.33 0.00 0.00 175.10 171.56 3a1y s GLU 32 N -2.71 3.08 0.40 1.54 2.56 -1.26 -3.53 118.70 118.77 3a1y s GLU 32 Ca 0.25 -1.03 -0.23 0.00 0.00 0.00 0.00 54.97 53.95 3a1y s GLU 32 Cb -0.09 -4.11 -0.09 0.00 2.00 0.00 0.00 34.13 31.83 3a1y s GLU 32 CO 0.15 -1.16 1.02 -1.25 -0.56 0.00 0.00 175.26 173.47 3a1y s PRO 33 N 2.33 4.18 -0.01 4.30 0.04 -1.26 -4.99 135.00 139.59 3a1y s PRO 33 Ca 0.12 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 3a1y s PRO 33 Cb -0.21 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 3a1y s PRO 33 CO 0.10 -0.11 1.26 -1.21 0.04 0.00 0.00 177.00 177.08 3a1y s GLU 34 N -2.60 4.35 0.25 4.56 0.41 -1.26 -4.93 118.70 119.48 3a1y s GLU 34 Ca 0.58 1.78 -0.04 0.00 -0.41 0.00 0.00 54.97 56.89 3a1y s GLU 34 Cb -0.19 -3.50 0.29 0.00 -1.78 0.00 0.00 34.13 28.95 3a1y s GLU 34 CO 0.25 -0.43 1.77 1.49 -0.49 0.00 0.00 175.26 177.85 3a1y h GLU 35 N 7.36 0.91 -0.18 1.61 4.57 -1.99 -2.02 114.58 124.83 3a1y h GLU 35 Ca -0.37 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 57.49 3a1y h GLU 35 Cb 1.18 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 3a1y h GLU 35 CO 0.87 0.84 -0.34 0.00 -1.18 0.00 0.00 179.01 179.20 3a1y h ALA 36 N 1.24 1.07 -0.56 2.92 0.00 -1.99 -1.00 119.26 120.93 3a1y h ALA 36 Ca 0.18 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3a1y h ALA 36 Cb 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3a1y h ALA 36 CO 0.01 0.58 0.07 0.00 0.00 0.00 0.00 179.25 179.91 3a1y h ARG 37 N 0.33 0.95 0.38 0.00 2.47 -1.88 -0.99 114.38 115.63 3a1y h ARG 37 Ca 0.04 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 3a1y h ARG 37 Cb 0.76 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 3a1y h ARG 37 CO 0.06 0.92 -0.18 0.82 0.56 0.00 0.00 179.97 182.15 3a1y h ILE 38 N 0.84 0.64 -0.48 2.04 2.04 -1.01 -2.27 117.51 119.31 3a1y h ILE 38 Ca 0.17 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3a1y h ILE 38 Cb 0.44 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3a1y h ILE 38 CO 0.01 0.04 -0.03 0.50 0.00 0.00 0.00 178.15 178.68 3a1y h LYS 39 N -0.61 0.81 -0.84 2.37 1.63 -1.21 -2.33 116.57 116.40 3a1y h LYS 39 Ca -0.05 -0.23 0.07 0.00 -0.85 0.00 0.00 60.65 59.58 3a1y h LYS 39 Cb 0.45 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 3a1y h LYS 39 CO 0.09 0.84 0.51 0.00 -3.45 0.00 0.00 179.45 177.43 3a1y h ALA 40 N 1.21 1.16 0.10 5.00 0.00 -1.16 -0.65 119.26 124.93 3a1y h ALA 40 Ca 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a1y h ALA 40 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a1y h ALA 40 CO 0.02 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.71 3a1y h LEU 41 N 0.92 -0.12 -0.53 0.00 5.85 -1.01 -0.40 115.31 120.03 3a1y h LEU 41 Ca 0.37 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.04 3a1y h LEU 41 Cb 0.20 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3a1y h LEU 41 CO -0.18 0.08 0.10 0.58 -0.34 0.00 0.00 178.44 178.67 3a1y h VAL 42 N -0.31 0.68 -0.42 1.05 2.07 -1.15 0.45 116.25 118.62 3a1y h VAL 42 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3a1y h VAL 42 Cb 0.26 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3a1y h VAL 42 CO 0.02 0.04 0.19 0.00 0.02 0.00 0.00 177.57 177.85 3a1y h ALA 43 N 1.42 0.54 -0.43 1.67 0.00 -1.00 -2.90 119.26 118.56 3a1y h ALA 43 Ca 0.27 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3a1y h ALA 43 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3a1y h ALA 43 CO -0.36 0.11 -0.04 0.00 0.00 0.00 0.00 179.25 178.96 3a1y h ALA 44 N 1.04 1.14 0.00 0.00 0.00 -0.48 -2.31 119.26 118.64 3a1y h ALA 44 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a1y h ALA 44 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a1y h ALA 44 CO -0.02 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.06 3a1y n LEU 45 N -4.21 0.00 -4.72 0.00 4.32 0.10 -4.63 117.00 107.86 3a1y n LEU 45 Ca 0.02 0.45 -0.42 0.00 -0.02 0.00 0.00 56.01 56.03 3a1y n LEU 45 Cb 0.31 -0.45 -0.03 0.00 -1.62 0.00 0.00 43.42 41.63 3a1y n LEU 45 CO 0.41 -0.20 1.11 -0.70 -1.22 0.00 0.00 177.39 176.79 3a1y s GLU 46 N -2.89 4.29 0.00 3.23 2.12 -0.87 -2.36 118.70 122.22 3a1y s GLU 46 Ca 0.10 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.58 3a1y s GLU 46 Cb 0.11 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.28 3a1y s GLU 46 CO 0.28 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3a1y n GLY 47 N 3.55 2.68 3.58 -1.50 0.00 -1.26 -5.00 105.19 107.24 3a1y n GLY 47 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3a1y n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1y s VAL 48 N -2.48 4.66 -0.75 1.61 1.01 -0.99 -5.00 120.40 118.45 3a1y s VAL 48 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3a1y s VAL 48 Cb 0.00 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.15 3a1y s VAL 48 CO 0.00 -0.53 1.21 0.21 0.00 0.00 0.00 175.10 175.99 3a1y s ASN 49 N 1.93 6.21 0.15 3.32 3.84 -1.26 -4.89 114.94 124.23 3a1y s ASN 49 Ca 0.34 -0.73 -0.17 0.00 0.21 0.00 0.00 52.86 52.51 3a1y s ASN 49 Cb -0.12 -2.52 0.05 0.00 -0.55 0.00 0.00 41.25 38.11 3a1y s ASN 49 CO 0.19 -1.69 1.73 0.40 -2.79 0.00 0.00 177.10 174.95 3a1y h ILE 50 N 6.08 0.85 -0.51 -5.21 2.04 -1.94 -0.06 117.51 118.77 3a1y h ILE 50 Ca -0.22 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3a1y h ILE 50 Cb 1.05 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 3a1y h ILE 50 CO 1.27 0.04 0.32 0.44 0.00 0.00 0.00 178.15 180.21 3a1y h ASP 51 N 0.20 0.54 -0.27 1.72 5.19 -1.99 0.43 116.42 122.23 3a1y h ASP 51 Ca 0.16 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.45 3a1y h ASP 51 Cb 0.16 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3a1y h ASP 51 CO -0.20 0.39 -0.23 -0.33 -3.12 0.00 0.00 179.24 175.75 3a1y h GLU 52 N 0.65 0.75 0.01 3.56 5.08 -1.91 -0.34 114.58 122.37 3a1y h GLU 52 Ca 0.20 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3a1y h GLU 52 Cb -0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3a1y h GLU 52 CO -0.07 0.91 -0.00 0.28 -1.00 0.00 0.00 179.01 179.13 3a1y h VAL 53 N 0.66 1.11 0.02 3.13 2.07 -0.61 -1.47 116.25 121.15 3a1y h VAL 53 Ca 0.09 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3a1y h VAL 53 Cb 0.73 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3a1y h VAL 53 CO 0.06 0.08 -0.17 0.40 0.02 0.00 0.00 177.57 177.96 3a1y h ILE 54 N -0.15 0.59 -0.08 4.57 1.08 0.09 -2.88 117.51 120.73 3a1y h ILE 54 Ca -0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 3a1y h ILE 54 Cb 0.14 0.59 0.01 0.00 -3.07 0.00 0.00 36.82 34.49 3a1y h ILE 54 CO 0.00 0.00 -0.53 -0.08 -0.69 0.00 0.00 178.15 176.85 3a1y h GLU 55 N -0.29 0.50 -1.44 2.37 4.22 -1.10 -3.14 114.58 115.70 3a1y h GLU 55 Ca 0.05 -0.43 -0.31 0.00 0.08 0.00 0.00 59.36 58.75 3a1y h GLU 55 Cb 0.35 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.56 3a1y h GLU 55 CO -0.15 1.06 0.40 1.17 -2.18 0.00 0.00 179.01 179.31 3a1y n LYS 56 N -4.23 1.76 -2.13 1.92 3.00 -0.56 -4.88 118.16 113.05 3a1y n LYS 56 Ca -0.08 -1.53 -0.30 0.00 -0.00 0.00 0.00 58.31 56.40 3a1y n LYS 56 Cb 0.62 -1.60 -0.05 0.00 0.00 0.00 0.00 35.03 34.00 3a1y n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a1y s ALA 57 N -1.77 1.87 -0.18 3.14 0.00 -1.09 -4.92 121.76 118.82 3a1y s ALA 57 Ca 0.30 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3a1y s ALA 57 Cb 0.24 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.83 3a1y s ALA 57 CO 0.00 -4.56 0.04 0.00 0.00 0.00 0.00 175.76 171.25