#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 0.33 -0.43 0.03 9.09 -2.05 -0.44 114.58 121.11 3a1y h GLU 2 Ca 0.00 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.34 3a1y h GLU 2 Cb 0.00 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.01 3a1y h GLU 2 CO 0.00 0.23 0.07 1.88 0.05 0.00 0.00 179.01 181.24 3a1y h TYR 3 N 0.34 0.76 -0.22 2.06 -1.99 -2.00 0.13 116.97 116.06 3a1y h TYR 3 Ca 0.09 -0.10 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 3a1y h TYR 3 Cb -0.03 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.49 3a1y h TYR 3 CO 0.00 0.73 -0.17 0.28 -0.00 0.00 0.00 178.16 178.99 3a1y h VAL 4 N 0.57 1.32 -1.00 -2.88 2.07 -1.87 -1.55 116.25 112.91 3a1y h VAL 4 Ca 0.13 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3a1y h VAL 4 Cb 0.38 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 3a1y h VAL 4 CO 0.01 0.40 0.65 1.88 0.02 0.00 0.00 177.57 180.53 3a1y h TYR 5 N 0.19 1.20 0.06 1.57 0.05 -1.04 -0.85 116.97 118.15 3a1y h TYR 5 Ca 0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 3a1y h TYR 5 Cb 0.70 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3a1y h TYR 5 CO 0.07 0.63 -0.03 0.00 -1.05 0.00 0.00 178.16 177.78 3a1y h ALA 6 N 1.45 -0.08 -0.86 3.88 0.00 -0.48 0.41 119.26 123.57 3a1y h ALA 6 Ca 0.43 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.52 3a1y h ALA 6 Cb 0.15 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.86 3a1y h ALA 6 CO -0.17 -0.54 0.36 0.00 0.00 0.00 0.00 179.25 178.90 3a1y h ALA 7 N 0.85 1.32 -0.33 0.00 0.00 -1.02 -1.56 119.26 118.52 3a1y h ALA 7 Ca -0.01 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3a1y h ALA 7 Cb 0.07 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a1y h ALA 7 CO 0.01 -0.31 -0.35 -0.07 0.00 0.00 0.00 179.25 178.53 3a1y h LEU 8 N 0.40 0.88 0.21 0.00 4.07 -0.55 -1.52 115.31 118.80 3a1y h LEU 8 Ca 0.52 -0.47 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 3a1y h LEU 8 Cb 0.95 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3a1y h LEU 8 CO -0.51 1.18 -0.13 0.25 -1.08 0.00 0.00 178.44 178.14 3a1y h LEU 9 N 0.61 -0.33 -0.26 1.67 5.85 -0.54 -0.32 115.31 121.98 3a1y h LEU 9 Ca 0.05 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.85 3a1y h LEU 9 Cb 0.93 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 3a1y h LEU 9 CO 0.09 -0.21 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.77 3a1y h LEU 10 N -0.34 -0.44 -0.55 2.25 4.07 -1.29 -2.42 115.31 116.59 3a1y h LEU 10 Ca -0.02 0.10 0.06 0.00 0.08 0.00 0.00 57.88 58.11 3a1y h LEU 10 Cb 0.28 0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.21 3a1y h LEU 10 CO 0.02 -0.17 0.25 -0.74 -1.08 0.00 0.00 178.44 176.72 3a1y h HIS 11 N -0.10 0.46 0.00 1.13 2.76 -1.18 -0.08 115.15 118.13 3a1y h HIS 11 Ca 0.14 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3a1y h HIS 11 Cb 0.31 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3a1y h HIS 11 CO -0.32 0.19 0.01 0.66 -1.30 0.00 0.00 177.93 177.18 3a1y h SER 12 N 0.48 0.00 0.00 3.26 4.64 -0.54 -1.30 113.55 120.09 3a1y h SER 12 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3a1y h SER 12 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3a1y h SER 12 CO -0.21 0.00 -0.20 0.55 -0.87 0.00 0.00 176.83 176.10 3a1y n VAL 13 N -2.75 1.47 -1.18 0.95 3.14 -0.93 -5.00 118.33 114.03 3a1y n VAL 13 Ca -0.02 -1.88 -0.06 0.00 -2.96 0.00 0.00 64.34 59.41 3a1y n VAL 13 Cb 0.07 -0.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.78 3a1y n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3a1y n GLY 14 N -1.03 0.74 3.82 7.55 0.00 -0.49 -5.00 105.19 110.78 3a1y n GLY 14 Ca 0.13 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3a1y n GLY 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a1y s LYS 15 N -2.18 4.20 0.35 1.61 2.47 -0.09 -4.98 119.74 121.11 3a1y s LYS 15 Ca 0.00 0.83 -0.28 0.00 -1.56 0.00 0.00 55.97 54.97 3a1y s LYS 15 Cb 0.00 -2.78 -0.10 0.00 -1.46 0.00 0.00 37.83 33.50 3a1y s LYS 15 CO 0.00 0.34 1.24 -2.00 0.16 0.00 0.00 175.35 175.09 3a1y s GLU 16 N -2.20 4.29 -1.09 4.03 2.12 -1.26 -3.99 118.70 120.60 3a1y s GLU 16 Ca 0.46 2.05 -0.17 0.00 0.36 0.00 0.00 54.97 57.67 3a1y s GLU 16 Cb -0.15 -2.97 0.14 0.00 0.26 0.00 0.00 34.13 31.42 3a1y s GLU 16 CO 0.20 -0.18 1.32 0.42 -0.54 0.00 0.00 175.26 176.48 3a1y s ILE 17 N -1.22 4.80 0.50 -3.70 -1.09 -1.26 -4.78 121.20 114.45 3a1y s ILE 17 Ca 0.51 -2.07 0.01 0.00 -2.23 0.00 0.00 60.65 56.88 3a1y s ILE 17 Cb -0.36 -4.88 -0.01 0.00 -1.58 0.00 0.00 42.46 35.63 3a1y s ILE 17 CO 0.47 -1.61 0.04 0.54 -1.23 0.00 0.00 174.94 173.16 3a1y s ASN 18 N 3.34 3.79 0.10 3.58 2.20 -1.26 -4.83 114.94 121.87 3a1y s ASN 18 Ca 0.39 -1.71 -0.17 0.00 -0.94 0.00 0.00 52.86 50.43 3a1y s ASN 18 Cb -0.03 0.64 -0.06 0.00 -2.00 0.00 0.00 41.25 39.80 3a1y s ASN 18 CO -0.04 -0.93 1.57 -0.33 -2.94 0.00 0.00 177.10 174.42 3a1y h GLU 19 N 1.42 0.51 -0.30 3.55 5.08 -1.92 -2.48 114.58 120.43 3a1y h GLU 19 Ca -0.41 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 3a1y h GLU 19 Cb 1.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3a1y h GLU 19 CO 0.68 0.62 0.15 1.49 -1.00 0.00 0.00 179.01 180.95 3a1y h GLU 20 N 0.32 0.42 -0.31 2.33 4.81 -1.97 -1.86 114.58 118.32 3a1y h GLU 20 Ca 0.09 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 3a1y h GLU 20 Cb 0.37 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3a1y h GLU 20 CO 0.01 0.38 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.29 3a1y h ASN 21 N 0.36 0.94 -0.37 1.04 2.35 -1.86 -1.98 115.58 116.06 3a1y h ASN 21 Ca 0.10 -0.51 0.03 0.00 -0.55 0.00 0.00 56.30 55.37 3a1y h ASN 21 Cb 0.09 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 3a1y h ASN 21 CO -0.02 1.27 0.17 -0.07 -1.65 0.00 0.00 177.43 177.13 3a1y h LEU 22 N 0.64 0.23 -0.75 1.61 3.38 -1.42 -2.66 115.31 116.34 3a1y h LEU 22 Ca 0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3a1y h LEU 22 Cb 1.07 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3a1y h LEU 22 CO 0.11 0.17 0.24 0.11 0.09 0.00 0.00 178.44 179.16 3a1y h LYS 23 N 0.35 1.17 -0.17 1.13 1.57 -1.23 -1.07 116.57 118.32 3a1y h LYS 23 Ca 0.16 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3a1y h LYS 23 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3a1y h LYS 23 CO -0.13 0.99 0.11 0.00 -0.57 0.00 0.00 179.45 179.85 3a1y h ALA 24 N 1.12 0.21 -0.44 3.86 0.00 -1.28 0.15 119.26 122.89 3a1y h ALA 24 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3a1y h ALA 24 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a1y h ALA 24 CO -0.01 -0.28 -0.17 -0.39 0.00 0.00 0.00 179.25 178.40 3a1y h VAL 25 N 0.21 1.27 -0.11 0.00 -1.51 -1.37 -1.92 116.25 112.82 3a1y h VAL 25 Ca 0.06 -1.31 0.01 0.00 -1.23 0.00 0.00 66.70 64.23 3a1y h VAL 25 Cb 0.01 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 3a1y h VAL 25 CO -0.01 0.45 0.04 -0.07 -1.23 0.00 0.00 177.57 176.75 3a1y h LEU 26 N 0.73 0.05 -1.17 4.19 -0.00 -1.11 -2.27 115.31 115.74 3a1y h LEU 26 Ca 0.10 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 58.12 3a1y h LEU 26 Cb 0.73 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.32 3a1y h LEU 26 CO 0.06 0.05 0.60 1.56 -0.00 0.00 0.00 178.44 180.70 3a1y h GLN 27 N 0.10 0.80 0.00 1.13 1.08 -0.66 -0.54 115.11 117.03 3a1y h GLN 27 Ca 0.05 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 3a1y h GLN 27 Cb 0.02 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3a1y h GLN 27 CO -0.04 0.53 -0.21 0.00 -0.95 0.00 0.00 178.83 178.15 3a1y h ALA 28 N 1.58 1.18 -0.33 3.87 0.00 -0.85 -1.95 119.26 122.75 3a1y h ALA 28 Ca 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3a1y h ALA 28 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a1y h ALA 28 CO -0.23 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3a1y n ALA 29 N -2.29 2.71 -1.04 0.00 0.00 -0.32 -4.91 120.51 114.67 3a1y n ALA 29 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 3a1y n ALA 29 Cb 0.35 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.78 0.43 3.72 0.00 0.00 -0.73 -5.01 105.19 104.38 3a1y n GLY 30 Ca 0.12 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3a1y n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1y s VAL 31 N -1.74 5.13 -0.44 1.61 1.01 -0.54 -4.98 120.40 120.45 3a1y s VAL 31 Ca 0.00 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.86 3a1y s VAL 31 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3a1y s VAL 31 CO 0.00 0.31 0.87 -0.70 0.00 0.00 0.00 175.10 175.57 3a1y s GLU 32 N 0.65 3.53 0.42 2.72 2.56 -1.26 -3.22 118.70 124.09 3a1y s GLU 32 Ca 0.30 0.12 -0.26 0.00 0.00 0.00 0.00 54.97 55.13 3a1y s GLU 32 Cb -0.16 -3.91 -0.08 0.00 2.00 0.00 0.00 34.13 31.97 3a1y s GLU 32 CO 0.13 -1.14 1.32 -2.14 -0.56 0.00 0.00 175.26 172.87 3a1y s PRO 33 N 3.53 3.89 -0.35 4.30 0.02 -1.26 -4.99 135.00 140.14 3a1y s PRO 33 Ca 0.34 2.18 -0.16 0.00 0.02 0.00 0.00 61.00 63.38 3a1y s PRO 33 Cb -0.11 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.69 3a1y s PRO 33 CO 0.24 -0.57 0.41 -2.00 -0.33 0.00 0.00 177.00 174.75 3a1y s GLU 34 N -2.31 3.54 0.23 5.54 2.12 -1.26 -4.98 118.70 121.57 3a1y s GLU 34 Ca 0.58 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 55.47 3a1y s GLU 34 Cb -0.38 -3.82 0.38 0.00 0.26 0.00 0.00 34.13 30.57 3a1y s GLU 34 CO 0.49 -0.58 1.71 1.49 -0.54 0.00 0.00 175.26 177.83 3a1y h GLU 35 N 8.48 0.32 -0.79 4.30 4.57 -1.99 0.58 114.58 130.06 3a1y h GLU 35 Ca -0.29 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 57.97 3a1y h GLU 35 Cb 1.14 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.58 3a1y h GLU 35 CO 0.72 0.21 0.43 0.00 -1.18 0.00 0.00 179.01 179.20 3a1y h ALA 36 N 1.53 1.12 -0.34 2.92 0.00 -1.99 0.14 119.26 122.64 3a1y h ALA 36 Ca 0.37 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.15 3a1y h ALA 36 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a1y h ALA 36 CO -0.42 0.05 -0.46 0.00 0.00 0.00 0.00 179.25 178.42 3a1y h ARG 37 N 0.73 0.91 -0.00 0.00 3.08 -1.39 -1.54 114.38 116.16 3a1y h ARG 37 Ca 0.38 -0.52 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3a1y h ARG 37 Cb 0.38 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3a1y h ARG 37 CO -0.26 1.17 -0.10 0.82 -1.07 0.00 0.00 179.97 180.53 3a1y h ILE 38 N 0.72 0.75 0.40 2.04 1.08 -0.54 -1.53 117.51 120.43 3a1y h ILE 38 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3a1y h ILE 38 Cb 1.06 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 3a1y h ILE 38 CO 0.11 0.00 -0.37 0.11 -0.69 0.00 0.00 178.15 177.31 3a1y h LYS 39 N -0.16 -0.75 -0.65 2.37 1.57 -0.72 -2.25 116.57 115.97 3a1y h LYS 39 Ca 0.04 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 3a1y h LYS 39 Cb 0.21 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.59 3a1y h LYS 39 CO -0.10 -0.50 0.03 0.00 -0.57 0.00 0.00 179.45 178.31 3a1y h ALA 40 N -0.36 0.68 0.65 3.86 0.00 -1.22 -1.22 119.26 121.65 3a1y h ALA 40 Ca -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3a1y h ALA 40 Cb 0.69 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.81 3a1y h ALA 40 CO -0.05 -0.38 -0.31 1.25 0.00 0.00 0.00 179.25 179.75 3a1y h LEU 41 N 0.14 -0.74 -1.15 0.00 5.85 -1.15 0.10 115.31 118.37 3a1y h LEU 41 Ca 0.35 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.08 3a1y h LEU 41 Cb 0.57 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3a1y h LEU 41 CO -0.54 -0.53 0.36 1.62 -0.34 0.00 0.00 178.44 179.01 3a1y h VAL 42 N -0.87 1.21 -0.32 1.05 3.04 -1.17 -1.13 116.25 118.05 3a1y h VAL 42 Ca -0.09 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 3a1y h VAL 42 Cb 0.67 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 3a1y h VAL 42 CO 0.15 0.24 0.11 0.00 -1.01 0.00 0.00 177.57 177.06 3a1y h ALA 43 N 1.44 0.42 -0.29 3.17 0.00 -1.18 -2.03 119.26 120.79 3a1y h ALA 43 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a1y h ALA 43 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a1y h ALA 43 CO -0.04 0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.45 3a1y h ALA 44 N 0.95 1.79 -0.00 0.00 0.00 -0.26 -2.87 119.26 118.87 3a1y h ALA 44 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a1y h ALA 44 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3a1y h ALA 44 CO -0.01 0.20 -0.47 1.28 0.00 0.00 0.00 179.25 180.25 3a1y n LEU 45 N -4.49 0.87 -4.68 0.00 4.32 -0.48 -4.72 117.00 107.82 3a1y n LEU 45 Ca 0.01 -0.21 -0.42 0.00 -0.02 0.00 0.00 56.01 55.37 3a1y n LEU 45 Cb 0.07 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 41.68 3a1y n LEU 45 CO 0.35 0.18 1.52 -1.61 -1.22 0.00 0.00 177.39 176.62 3a1y s GLU 46 N -2.78 4.14 0.00 3.23 2.02 -0.79 -2.81 118.70 121.71 3a1y s GLU 46 Ca 0.16 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.75 3a1y s GLU 46 Cb 0.18 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 30.59 3a1y s GLU 46 CO 0.64 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 175.45 3a1y n GLY 47 N 4.36 2.57 3.77 -1.39 0.00 -1.26 -5.02 105.19 108.21 3a1y n GLY 47 Ca 0.19 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3a1y n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1y s VAL 48 N -0.51 2.44 -0.30 1.61 -7.23 -1.12 -4.97 120.40 110.32 3a1y s VAL 48 Ca 0.00 0.44 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 3a1y s VAL 48 Cb 0.00 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 3a1y s VAL 48 CO 0.00 0.10 0.18 0.54 -0.31 0.00 0.00 175.10 175.61 3a1y s ASN 49 N -0.36 5.80 0.27 4.85 2.20 -1.26 -4.95 114.94 121.49 3a1y s ASN 49 Ca 0.51 -0.27 -0.00 0.00 -0.94 0.00 0.00 52.86 52.15 3a1y s ASN 49 Cb -0.42 -2.07 0.36 0.00 -2.00 0.00 0.00 41.25 37.11 3a1y s ASN 49 CO 0.57 -0.13 1.73 0.40 -2.94 0.00 0.00 177.10 176.73 3a1y h ILE 50 N 5.49 1.25 -0.39 0.54 1.08 -1.95 -3.01 117.51 120.54 3a1y h ILE 50 Ca -0.34 -1.12 0.08 0.00 -0.39 0.00 0.00 64.86 63.09 3a1y h ILE 50 Cb 1.17 1.09 -0.09 0.00 -3.07 0.00 0.00 36.82 35.93 3a1y h ILE 50 CO 0.59 0.38 -0.21 0.44 -0.69 0.00 0.00 178.15 178.66 3a1y h ASP 51 N 0.61 -0.71 0.14 1.72 5.19 -2.00 0.45 116.42 121.83 3a1y h ASP 51 Ca 0.11 0.16 -0.14 0.00 -0.62 0.00 0.00 57.03 56.53 3a1y h ASP 51 Cb 0.56 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 3a1y h ASP 51 CO 0.03 -0.24 -0.49 -0.33 -3.12 0.00 0.00 179.24 175.09 3a1y h GLU 52 N -0.14 0.40 0.10 3.56 5.08 -1.97 -1.39 114.58 120.23 3a1y h GLU 52 Ca 0.19 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3a1y h GLU 52 Cb 0.44 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3a1y h GLU 52 CO -0.47 0.81 -0.05 0.28 -1.00 0.00 0.00 179.01 178.57 3a1y h VAL 53 N 0.32 0.89 -0.72 3.13 2.07 -1.27 0.52 116.25 121.19 3a1y h VAL 53 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 3a1y h VAL 53 Cb 0.98 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3a1y h VAL 53 CO 0.09 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.41 3a1y h ILE 54 N -0.14 0.79 -0.52 4.57 1.08 -0.66 -1.26 117.51 121.38 3a1y h ILE 54 Ca -0.01 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 3a1y h ILE 54 Cb 0.11 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 3a1y h ILE 54 CO 0.02 0.10 0.09 -0.33 -0.69 0.00 0.00 178.15 177.34 3a1y h GLU 55 N 0.55 0.85 0.00 2.37 5.08 -0.90 -2.82 114.58 119.71 3a1y h GLU 55 Ca 0.36 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3a1y h GLU 55 Cb 0.44 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3a1y h GLU 55 CO -0.31 0.83 -0.44 0.87 -1.00 0.00 0.00 179.01 178.96 3a1y h LYS 56 N 0.73 0.00 0.00 2.33 1.57 -0.44 -3.12 116.57 117.65 3a1y h LYS 56 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3a1y h LYS 56 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3a1y h LYS 56 CO 0.01 0.44 -0.48 0.00 -0.57 0.00 0.00 179.45 178.85 3a1y h ALA 57 N 1.56 0.73 0.00 3.86 0.00 -1.11 -3.51 119.26 120.78 3a1y h ALA 57 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3a1y h ALA 57 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a1y h ALA 57 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.83