#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 0.16 -0.11 3.17 9.09 -2.05 -2.71 114.58 122.12 3a1y h GLU 2 Ca 0.00 -0.02 -0.20 0.00 0.05 0.00 0.00 59.36 59.19 3a1y h GLU 2 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 3a1y h GLU 2 CO 0.00 0.21 -0.75 1.88 0.05 0.00 0.00 179.01 180.41 3a1y h TYR 3 N 0.15 0.76 -0.20 2.06 0.05 -1.99 -1.69 116.97 116.12 3a1y h TYR 3 Ca 0.04 -0.34 -0.06 0.00 0.05 0.00 0.00 58.73 58.42 3a1y h TYR 3 Cb 0.18 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3a1y h TYR 3 CO 0.00 1.12 -0.10 0.28 -1.05 0.00 0.00 178.16 178.42 3a1y h VAL 4 N 0.39 1.31 -0.98 -2.88 2.07 -1.92 -1.11 116.25 113.12 3a1y h VAL 4 Ca -0.04 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3a1y h VAL 4 Cb 1.34 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 3a1y h VAL 4 CO 0.14 0.35 0.64 1.88 0.02 0.00 0.00 177.57 180.60 3a1y h TYR 5 N 0.12 1.19 -0.60 1.57 0.05 -1.47 0.15 116.97 117.97 3a1y h TYR 5 Ca 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 3a1y h TYR 5 Cb 0.58 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 3a1y h TYR 5 CO 0.06 0.68 0.28 0.00 -1.05 0.00 0.00 178.16 178.13 3a1y h ALA 6 N 1.44 0.78 -0.62 3.88 0.00 -1.27 -0.02 119.26 123.44 3a1y h ALA 6 Ca 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3a1y h ALA 6 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3a1y h ALA 6 CO -0.13 0.36 0.25 0.00 0.00 0.00 0.00 179.25 179.73 3a1y h ALA 7 N 1.11 0.80 -0.35 0.00 0.00 -0.31 -1.51 119.26 119.00 3a1y h ALA 7 Ca 0.21 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3a1y h ALA 7 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3a1y h ALA 7 CO -0.02 0.42 -0.31 -0.07 0.00 0.00 0.00 179.25 179.27 3a1y h LEU 8 N 0.86 0.79 0.37 0.00 4.07 -0.69 0.15 115.31 120.86 3a1y h LEU 8 Ca 0.21 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3a1y h LEU 8 Cb 0.21 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3a1y h LEU 8 CO -0.02 1.04 -0.28 0.25 -1.08 0.00 0.00 178.44 178.35 3a1y h LEU 9 N 0.64 -0.72 -0.38 1.67 5.85 -0.79 -0.50 115.31 121.08 3a1y h LEU 9 Ca 0.07 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3a1y h LEU 9 Cb 0.83 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 3a1y h LEU 9 CO 0.07 -0.42 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.53 3a1y h LEU 10 N -0.64 -0.53 -0.54 2.25 4.07 -1.09 -2.30 115.31 116.53 3a1y h LEU 10 Ca -0.03 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.10 3a1y h LEU 10 Cb 0.55 0.30 -0.04 0.00 1.08 0.00 0.00 40.66 42.56 3a1y h LEU 10 CO -0.00 -0.19 0.29 -0.74 -1.08 0.00 0.00 178.44 176.72 3a1y h HIS 11 N -0.08 0.54 0.00 1.13 2.76 -0.87 0.23 115.15 118.86 3a1y h HIS 11 Ca 0.19 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3a1y h HIS 11 Cb 0.37 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 3a1y h HIS 11 CO -0.39 0.28 -0.04 0.66 -1.30 0.00 0.00 177.93 177.14 3a1y h SER 12 N 0.57 0.00 -0.26 3.26 4.64 -0.53 -1.85 113.55 119.38 3a1y h SER 12 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3a1y h SER 12 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3a1y h SER 12 CO -0.14 0.04 0.00 0.55 -0.87 0.00 0.00 176.83 176.41 3a1y n VAL 13 N -3.31 0.92 -1.86 0.95 3.14 -1.02 -4.98 118.33 112.18 3a1y n VAL 13 Ca -0.02 -0.96 -0.07 0.00 -2.96 0.00 0.00 64.34 60.33 3a1y n VAL 13 Cb 0.18 0.55 -0.01 0.00 -1.06 0.00 0.00 33.84 33.50 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 0.34 0.33 3.89 7.55 0.00 -0.70 -5.04 105.19 111.56 3a1y n GLY 14 Ca 0.09 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.84 3.38 0.38 1.61 1.02 0.75 -5.00 119.74 118.04 3a1y s LYS 15 Ca 0.00 -0.38 -0.27 0.00 0.02 0.00 0.00 55.97 55.35 3a1y s LYS 15 Cb 0.00 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.17 3a1y s LYS 15 CO 0.00 0.65 1.30 -2.00 -0.92 0.00 0.00 175.35 174.38 3a1y s GLU 16 N -2.06 4.11 -0.66 1.68 2.12 -1.26 -4.00 118.70 118.63 3a1y s GLU 16 Ca 0.29 2.16 -0.19 0.00 0.36 0.00 0.00 54.97 57.58 3a1y s GLU 16 Cb -0.13 -2.86 0.11 0.00 0.26 0.00 0.00 34.13 31.51 3a1y s GLU 16 CO 0.20 -0.37 0.80 0.42 -0.54 0.00 0.00 175.26 175.77 3a1y s ILE 17 N -1.23 4.77 0.00 -3.70 1.01 -1.26 -4.78 121.20 116.00 3a1y s ILE 17 Ca 0.54 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3a1y s ILE 17 Cb -0.38 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.53 3a1y s ILE 17 CO 0.50 -1.23 0.00 -0.46 0.00 0.00 0.00 174.94 173.75 3a1y n ASN 18 N 6.47 0.00 -0.06 3.58 2.04 -1.26 -4.92 115.26 121.11 3a1y n ASN 18 Ca -0.03 -0.73 -0.08 0.00 -0.44 0.00 0.00 54.58 53.30 3a1y n ASN 18 Cb 0.44 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.67 3a1y n ASN 18 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3a1y h GLU 19 N 0.00 0.04 0.16 -3.83 4.22 -1.94 -0.77 114.58 112.46 3a1y h GLU 19 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 3a1y h GLU 19 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3a1y h GLU 19 CO 0.00 0.03 -0.07 0.93 -2.18 0.00 0.00 179.01 177.71 3a1y h GLU 20 N 0.04 -0.20 -0.43 1.92 3.07 -1.97 -0.72 114.58 116.29 3a1y h GLU 20 Ca 0.12 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.87 3a1y h GLU 20 Cb 0.16 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3a1y h GLU 20 CO -0.22 -0.00 -0.20 -0.91 -1.40 0.00 0.00 179.01 176.28 3a1y h ASN 21 N -0.37 0.93 -0.28 1.42 2.35 -1.83 -1.98 115.58 115.83 3a1y h ASN 21 Ca -0.02 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3a1y h ASN 21 Cb 0.29 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3a1y h ASN 21 CO 0.04 1.12 0.18 -0.07 -1.65 0.00 0.00 177.43 177.05 3a1y h LEU 22 N 0.73 0.32 -0.29 1.61 3.38 -1.12 -2.08 115.31 117.86 3a1y h LEU 22 Ca 0.10 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3a1y h LEU 22 Cb 0.77 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3a1y h LEU 22 CO 0.06 0.24 0.04 0.50 0.09 0.00 0.00 178.44 179.37 3a1y h LYS 23 N 0.37 0.13 -0.83 1.13 3.64 -1.01 -1.98 116.57 118.02 3a1y h LYS 23 Ca 0.10 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3a1y h LYS 23 Cb -0.03 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 3a1y h LYS 23 CO -0.02 0.09 0.54 0.00 -2.27 0.00 0.00 179.45 177.78 3a1y h ALA 24 N 1.23 1.09 -0.25 5.00 0.00 -1.12 -0.74 119.26 124.47 3a1y h ALA 24 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3a1y h ALA 24 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a1y h ALA 24 CO -0.20 0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.70 3a1y h VAL 25 N 1.06 1.26 -0.32 0.00 2.07 -1.09 -1.85 116.25 117.38 3a1y h VAL 25 Ca 0.33 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3a1y h VAL 25 Cb -0.02 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3a1y h VAL 25 CO -0.10 0.29 -0.05 -0.07 0.02 0.00 0.00 177.57 177.66 3a1y h LEU 26 N 0.21 0.60 -0.99 2.57 -0.00 -1.12 -2.29 115.31 114.29 3a1y h LEU 26 Ca 0.07 -0.35 0.13 0.00 -0.00 0.00 0.00 57.88 57.73 3a1y h LEU 26 Cb 0.43 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 3a1y h LEU 26 CO 0.01 0.80 0.62 1.56 -0.00 0.00 0.00 178.44 181.44 3a1y h GLN 27 N 0.39 0.93 0.00 1.13 4.20 -1.16 -1.49 115.11 119.10 3a1y h GLN 27 Ca 0.09 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3a1y h GLN 27 Cb 0.53 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3a1y h GLN 27 CO 0.03 0.61 -0.19 0.00 -0.67 0.00 0.00 178.83 178.61 3a1y h ALA 28 N 1.55 1.17 0.00 3.87 0.00 -0.81 -0.57 119.26 124.47 3a1y h ALA 28 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3a1y h ALA 28 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a1y h ALA 28 CO -0.28 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.21 3a1y n ALA 29 N -2.27 2.05 -0.23 0.00 0.00 -0.57 -4.91 120.51 114.58 3a1y n ALA 29 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3a1y n ALA 29 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.87 0.87 3.52 0.00 0.00 -0.22 -5.09 105.19 105.14 3a1y n GLY 30 Ca 0.06 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3a1y n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1y s VAL 31 N -2.00 2.89 -0.46 1.61 -7.23 -1.18 -5.05 120.40 108.98 3a1y s VAL 31 Ca 0.00 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.04 3a1y s VAL 31 Cb 0.00 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.52 3a1y s VAL 31 CO 0.00 -0.19 0.77 -1.61 -0.31 0.00 0.00 175.10 173.76 3a1y s GLU 32 N -2.99 3.35 0.53 4.82 0.41 -1.26 -3.69 118.70 119.87 3a1y s GLU 32 Ca 0.25 -0.23 -0.18 0.00 -0.41 0.00 0.00 54.97 54.40 3a1y s GLU 32 Cb -0.08 -3.97 -0.07 0.00 -1.78 0.00 0.00 34.13 28.24 3a1y s GLU 32 CO 0.14 -1.15 1.04 -1.25 -0.49 0.00 0.00 175.26 173.55 3a1y s PRO 33 N 3.24 3.65 -0.35 0.39 0.04 -1.26 -4.98 135.00 135.73 3a1y s PRO 33 Ca 0.28 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 3a1y s PRO 33 Cb -0.13 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3a1y s PRO 33 CO 0.21 -0.54 0.87 -2.00 0.04 0.00 0.00 177.00 175.57 3a1y s GLU 34 N -3.65 3.87 0.26 4.56 2.56 -1.26 -4.93 118.70 120.10 3a1y s GLU 34 Ca 0.65 0.56 -0.02 0.00 0.00 0.00 0.00 54.97 56.15 3a1y s GLU 34 Cb -0.15 -3.78 0.50 0.00 2.00 0.00 0.00 34.13 32.70 3a1y s GLU 34 CO 0.27 -0.86 1.75 1.49 -0.56 0.00 0.00 175.26 177.36 3a1y h GLU 35 N 8.36 0.56 -0.99 4.30 4.57 -2.00 -1.55 114.58 127.82 3a1y h GLU 35 Ca -0.24 -0.03 0.08 0.00 -1.18 0.00 0.00 59.36 57.99 3a1y h GLU 35 Cb 1.08 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.48 3a1y h GLU 35 CO 0.94 0.37 0.63 0.00 -1.18 0.00 0.00 179.01 179.78 3a1y h ALA 36 N 1.55 1.40 -0.05 2.92 0.00 -1.99 -0.58 119.26 122.51 3a1y h ALA 36 Ca 0.44 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.11 3a1y h ALA 36 Cb 0.63 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3a1y h ALA 36 CO -0.37 0.38 -0.92 0.00 0.00 0.00 0.00 179.25 178.34 3a1y h ARG 37 N 1.12 0.62 0.09 0.00 3.08 -1.72 -1.82 114.38 115.74 3a1y h ARG 37 Ca 0.44 -0.60 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3a1y h ARG 37 Cb 0.24 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3a1y h ARG 37 CO -0.20 1.21 -0.04 0.82 -1.07 0.00 0.00 179.97 180.69 3a1y h ILE 38 N 0.38 0.91 -0.76 2.04 2.04 -1.01 -2.21 117.51 118.90 3a1y h ILE 38 Ca -0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 3a1y h ILE 38 Cb 1.55 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3a1y h ILE 38 CO 0.17 0.00 0.36 0.11 0.00 0.00 0.00 178.15 178.79 3a1y h LYS 39 N -0.12 1.11 -0.72 2.37 1.57 -1.12 -1.39 116.57 118.27 3a1y h LYS 39 Ca -0.01 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 3a1y h LYS 39 Cb 0.09 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3a1y h LYS 39 CO 0.02 0.87 0.30 0.00 -0.57 0.00 0.00 179.45 180.07 3a1y h ALA 40 N 1.18 0.93 -0.18 3.86 0.00 -1.22 -1.19 119.26 122.64 3a1y h ALA 40 Ca 0.26 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3a1y h ALA 40 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3a1y h ALA 40 CO -0.03 0.53 -0.13 1.25 0.00 0.00 0.00 179.25 180.87 3a1y h LEU 41 N 1.02 0.42 -0.22 0.00 5.85 -1.15 0.25 115.31 121.47 3a1y h LEU 41 Ca 0.24 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.57 3a1y h LEU 41 Cb 0.18 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3a1y h LEU 41 CO -0.02 0.78 -0.20 0.58 -0.34 0.00 0.00 178.44 179.23 3a1y h VAL 42 N 0.07 0.47 -0.57 1.05 2.07 -1.17 0.01 116.25 118.18 3a1y h VAL 42 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3a1y h VAL 42 Cb 0.64 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3a1y h VAL 42 CO 0.03 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.97 3a1y h ALA 43 N 0.88 0.73 0.00 1.67 0.00 -1.15 -2.56 119.26 118.83 3a1y h ALA 43 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3a1y h ALA 43 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3a1y h ALA 43 CO -0.35 0.08 -0.17 0.00 0.00 0.00 0.00 179.25 178.81 3a1y h ALA 44 N 1.24 1.37 -0.01 0.00 0.00 -0.39 -2.65 119.26 118.83 3a1y h ALA 44 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a1y h ALA 44 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a1y h ALA 44 CO -0.09 0.22 -0.20 1.28 0.00 0.00 0.00 179.25 180.46 3a1y n LEU 45 N -3.84 1.04 -4.70 0.00 4.77 -0.06 -4.78 117.00 109.43 3a1y n LEU 45 Ca -0.02 -0.27 -0.44 0.00 -0.03 0.00 0.00 56.01 55.25 3a1y n LEU 45 Cb 0.27 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3a1y n LEU 45 CO 0.33 0.19 1.26 -0.62 -1.33 0.00 0.00 177.39 177.22 3a1y n GLU 46 N -0.55 2.48 -0.66 3.23 -0.58 -1.00 -1.82 120.64 121.73 3a1y n GLU 46 Ca 0.14 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 3a1y n GLU 46 Cb 0.34 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 3a1y n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1y n GLY 47 N 3.43 0.62 3.67 0.62 0.00 -1.26 -4.98 105.19 107.29 3a1y n GLY 47 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.45 4.76 -0.65 1.61 1.01 -0.75 -5.00 120.40 118.94 3a1y s VAL 48 Ca 0.00 1.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.68 3a1y s VAL 48 Cb 0.00 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 32.20 3a1y s VAL 48 CO 0.00 -0.08 0.91 0.21 0.00 0.00 0.00 175.10 176.14 3a1y s ASN 49 N 1.18 6.18 0.18 3.32 3.84 -1.26 -4.93 114.94 123.44 3a1y s ASN 49 Ca 0.43 -1.10 -0.10 0.00 0.21 0.00 0.00 52.86 52.30 3a1y s ASN 49 Cb -0.16 -2.39 0.09 0.00 -0.55 0.00 0.00 41.25 38.24 3a1y s ASN 49 CO 0.11 -1.37 1.72 0.40 -2.79 0.00 0.00 177.10 175.17 3a1y h ILE 50 N 5.96 1.25 -0.26 -5.21 2.04 -1.96 -1.26 117.51 118.07 3a1y h ILE 50 Ca -0.29 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3a1y h ILE 50 Cb 1.07 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3a1y h ILE 50 CO 1.16 0.32 0.17 0.44 0.00 0.00 0.00 178.15 180.25 3a1y h ASP 51 N 0.93 0.30 -0.53 1.72 3.32 -2.00 -1.15 116.42 119.01 3a1y h ASP 51 Ca 0.21 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3a1y h ASP 51 Cb 0.28 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3a1y h ASP 51 CO -0.01 0.21 0.16 -0.08 -1.72 0.00 0.00 179.24 177.80 3a1y h GLU 52 N 0.35 0.88 -0.42 3.56 4.81 -1.93 -0.96 114.58 120.86 3a1y h GLU 52 Ca 0.10 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3a1y h GLU 52 Cb -0.04 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3a1y h GLU 52 CO -0.02 0.77 0.19 0.28 -0.73 0.00 0.00 179.01 179.50 3a1y h VAL 53 N 0.85 1.18 0.09 0.32 2.07 -0.96 -0.54 116.25 119.27 3a1y h VAL 53 Ca 0.19 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3a1y h VAL 53 Cb 0.28 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3a1y h VAL 53 CO -0.00 0.20 -0.04 0.40 0.02 0.00 0.00 177.57 178.14 3a1y h ILE 54 N 0.54 1.09 -0.02 4.57 2.04 -0.96 -2.89 117.51 121.89 3a1y h ILE 54 Ca 0.14 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3a1y h ILE 54 Cb 0.14 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3a1y h ILE 54 CO -0.02 0.17 0.03 -0.33 0.00 0.00 0.00 178.15 178.00 3a1y h GLU 55 N -0.45 0.00 0.00 2.37 4.39 -1.20 -1.27 114.58 118.42 3a1y h GLU 55 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3a1y h GLU 55 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3a1y h GLU 55 CO 0.02 0.00 0.00 0.36 -1.16 0.00 0.00 179.01 178.23 3a1y n LYS 56 N -3.57 0.96 -3.95 2.33 2.85 -0.21 -4.84 118.16 111.73 3a1y n LYS 56 Ca -0.03 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.01 3a1y n LYS 56 Cb 0.10 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 33.01 3a1y n LYS 56 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3a1y s ALA 57 N -2.00 3.69 0.00 0.58 0.00 -0.48 -5.08 121.76 118.47 3a1y s ALA 57 Ca 0.39 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3a1y s ALA 57 Cb 0.18 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3a1y s ALA 57 CO 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 175.76 175.97