#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aey n LYS 6 N 0.00 0.00 -1.88 1.61 4.81 -1.26 -5.01 118.16 116.43 1aey n LYS 6 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1aey n LYS 6 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 1aey n LYS 6 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1aey s GLU 7 N 0.00 2.53 0.10 1.64 2.02 -1.25 -4.92 118.70 118.82 1aey s GLU 7 Ca 0.00 0.35 0.03 0.00 0.02 0.00 0.00 54.97 55.37 1aey s GLU 7 Cb 0.00 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 1aey s GLU 7 CO 0.00 -1.25 -0.08 -0.48 0.02 0.00 0.00 175.26 173.47 1aey s LEU 8 N -5.45 2.46 -0.00 1.80 2.34 0.68 -0.98 118.68 119.53 1aey s LEU 8 Ca 0.60 -0.91 0.00 0.00 0.06 0.00 0.00 54.13 53.88 1aey s LEU 8 Cb -0.11 -0.19 0.00 0.00 -0.56 0.00 0.00 46.19 45.33 1aey s LEU 8 CO 0.51 -0.36 -0.01 0.68 -1.06 0.00 0.00 176.35 176.10 1aey s VAL 9 N -3.04 0.11 0.05 1.48 -7.23 -0.99 -0.95 120.40 109.84 1aey s VAL 9 Ca 0.09 -0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 1aey s VAL 9 Cb 0.01 -0.11 -0.05 0.00 0.56 0.00 0.00 36.38 36.79 1aey s VAL 9 CO -0.02 0.04 0.92 -0.22 -0.31 0.00 0.00 175.10 175.50 1aey s LEU 10 N 0.02 4.44 -0.23 1.32 2.96 0.19 -0.86 118.68 126.52 1aey s LEU 10 Ca 0.00 1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 55.28 1aey s LEU 10 Cb -0.01 -3.49 0.01 0.00 0.50 0.00 0.00 46.19 43.19 1aey s LEU 10 CO -0.00 -0.12 1.06 0.00 -1.32 0.00 0.00 176.35 175.97 1aey s ALA 11 N 0.36 3.67 0.06 5.97 0.00 0.56 -0.47 121.76 131.91 1aey s ALA 11 Ca 0.47 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1aey s ALA 11 Cb -0.22 -3.56 -0.31 0.00 0.00 0.00 0.00 23.12 19.03 1aey s ALA 11 CO 0.27 -1.09 1.09 -0.07 0.00 0.00 0.00 175.76 175.96 1aey h LEU 12 N 9.52 0.60 -8.18 0.00 3.38 -1.03 0.29 115.31 119.89 1aey h LEU 12 Ca -0.20 -0.64 -0.20 0.00 0.09 0.00 0.00 57.88 56.94 1aey h LEU 12 Cb 1.06 -0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 1aey h LEU 12 CO 0.98 1.50 -0.70 -0.31 0.09 0.00 0.00 178.44 180.00 1aey s TYR 13 N -2.65 0.55 0.80 1.13 2.02 -1.23 -4.74 117.35 113.23 1aey s TYR 13 Ca -0.06 -0.72 -0.11 0.00 -0.37 0.00 0.00 57.07 55.81 1aey s TYR 13 Cb 0.06 -0.36 0.07 0.00 -0.40 0.00 0.00 41.96 41.34 1aey s TYR 13 CO 0.91 -0.20 1.12 -0.51 -1.57 0.00 0.00 175.55 175.30 1aey s ASP 14 N -2.13 4.08 0.03 2.29 1.11 -1.26 -4.08 116.67 116.70 1aey s ASP 14 Ca -0.04 2.00 -0.20 0.00 0.18 0.00 0.00 52.55 54.49 1aey s ASP 14 Cb -0.03 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.46 1aey s ASP 14 CO -0.03 -2.32 0.45 -0.47 1.18 0.00 0.00 175.17 173.97 1aey s TYR 15 N -2.68 -0.33 -0.04 4.23 5.04 -0.41 -4.86 117.35 118.30 1aey s TYR 15 Ca 0.65 0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 1aey s TYR 15 Cb -0.20 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.37 1aey s TYR 15 CO 0.54 -0.58 -0.11 1.14 -1.34 0.00 0.00 175.55 175.21 1aey s GLN 16 N -2.28 1.19 0.34 4.97 0.00 -1.26 -1.70 119.66 120.91 1aey s GLN 16 Ca -0.06 -0.36 -0.29 0.00 -0.00 0.00 0.00 55.36 54.65 1aey s GLN 16 Cb -0.01 -1.07 -0.10 0.00 0.00 0.00 0.00 33.01 31.82 1aey s GLN 16 CO -0.01 0.11 1.33 -1.83 0.00 0.00 0.00 175.29 174.89 1aey s GLU 17 N 0.28 4.33 -0.15 9.60 -1.05 -1.26 -4.89 118.70 125.56 1aey s GLU 17 Ca -0.05 2.26 -0.12 0.00 -0.15 0.00 0.00 54.97 56.90 1aey s GLU 17 Cb -0.10 -3.06 -0.06 0.00 -0.44 0.00 0.00 34.13 30.47 1aey s GLU 17 CO 0.01 -0.23 -0.27 1.63 0.95 0.00 0.00 175.26 177.35 1aey n LYS 18 N 0.78 0.42 -2.94 -4.83 4.01 -1.26 -4.96 118.16 109.37 1aey n LYS 18 Ca 0.00 0.17 -0.31 0.00 -0.51 0.00 0.00 58.31 57.66 1aey n LYS 18 Cb 0.41 -1.22 -0.04 0.00 -0.51 0.00 0.00 35.03 33.68 1aey n LYS 18 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1aey s SER 19 N -6.27 6.62 0.57 4.39 1.04 -1.26 -4.96 113.70 113.83 1aey s SER 19 Ca -0.24 1.20 0.30 0.00 0.48 0.00 0.00 55.95 57.68 1aey s SER 19 Cb 0.06 -2.35 1.45 0.00 0.10 0.00 0.00 66.02 65.28 1aey s SER 19 CO 0.34 -0.33 1.86 -0.65 0.98 0.00 0.00 173.24 175.43 1aey h PRO 20 N 1.61 0.00 0.00 4.02 0.11 -2.03 -0.25 132.00 135.45 1aey h PRO 20 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1aey h PRO 20 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1aey h PRO 20 CO 0.64 0.00 -0.32 0.07 -0.21 0.00 0.00 178.00 178.18 1aey h ARG 21 N 0.00 0.00 -7.47 1.05 0.11 -1.97 -3.45 114.38 102.65 1aey h ARG 21 Ca 0.30 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.89 1aey h ARG 21 Cb 1.46 0.00 0.08 0.00 1.11 0.00 0.00 29.97 32.62 1aey h ARG 21 CO -0.00 0.32 0.41 -1.21 0.10 0.00 0.00 179.97 179.59 1aey s GLU 22 N -3.13 2.87 0.01 0.08 2.02 -0.11 -0.30 118.70 120.15 1aey s GLU 22 Ca 0.04 0.48 -0.00 0.00 0.02 0.00 0.00 54.97 55.51 1aey s GLU 22 Cb 0.07 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.27 1aey s GLU 22 CO 0.71 -1.03 -0.01 0.14 0.02 0.00 0.00 175.26 175.08 1aey s VAL 23 N -3.35 0.05 0.31 2.63 -7.23 -0.90 -4.62 120.40 107.29 1aey s VAL 23 Ca 0.58 -0.41 -0.27 0.00 -1.81 0.00 0.00 61.98 60.07 1aey s VAL 23 Cb -0.11 -0.13 -0.10 0.00 0.56 0.00 0.00 36.38 36.60 1aey s VAL 23 CO 0.52 -0.23 0.95 -0.89 -0.31 0.00 0.00 175.10 175.15 1aey s THR 24 N -0.67 4.12 0.14 5.32 2.01 -1.26 -4.26 115.64 121.04 1aey s THR 24 Ca -0.07 1.85 -0.09 0.00 0.31 0.00 0.00 61.69 63.69 1aey s THR 24 Cb -0.05 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 1aey s THR 24 CO -0.00 0.23 0.24 0.00 -0.69 0.00 0.00 174.62 174.39 1aey s MET 25 N -1.85 1.04 0.28 4.92 0.23 -0.69 -4.97 119.30 118.25 1aey s MET 25 Ca 0.48 -1.11 0.10 0.00 -1.03 0.00 0.00 55.69 54.13 1aey s MET 25 Cb -0.21 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.40 1aey s MET 25 CO 0.26 -0.36 -0.03 -1.59 -2.03 0.00 0.00 175.02 171.28 1aey s LYS 26 N -3.93 2.18 0.38 3.16 -2.85 -1.26 -1.29 119.74 116.12 1aey s LYS 26 Ca 0.13 -1.51 -0.26 0.00 -1.00 0.00 0.00 55.97 53.33 1aey s LYS 26 Cb 0.04 -2.08 -0.11 0.00 -2.06 0.00 0.00 37.83 33.62 1aey s LYS 26 CO -0.04 0.33 1.21 1.17 0.10 0.00 0.00 175.35 178.12 1aey n LYS 27 N -0.87 1.84 0.00 1.78 4.81 -1.26 -2.46 118.16 122.01 1aey n LYS 27 Ca -0.06 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1aey n LYS 27 Cb 0.59 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1aey n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aey n GLY 28 N 0.90 3.23 3.74 3.14 0.00 0.09 -4.92 105.19 111.37 1aey n GLY 28 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1aey n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aey n ASP 29 N 0.05 3.54 -4.38 1.61 8.00 -1.03 -4.58 116.55 119.77 1aey n ASP 29 Ca 0.00 1.18 -0.45 0.00 0.71 0.00 0.00 54.79 56.23 1aey n ASP 29 Cb 0.00 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 39.48 1aey n ASP 29 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1aey s ILE 30 N -0.44 5.07 0.57 0.53 -4.36 -1.26 -0.32 121.20 120.99 1aey s ILE 30 Ca 0.61 -1.05 -0.07 0.00 -0.26 0.00 0.00 60.65 59.88 1aey s ILE 30 Cb -0.52 -4.29 -0.01 0.00 1.25 0.00 0.00 42.46 38.88 1aey s ILE 30 CO 0.54 -0.81 0.91 -0.76 0.24 0.00 0.00 174.94 175.07 1aey s LEU 31 N 2.04 3.32 -0.48 0.37 1.43 -0.04 -4.87 118.68 120.45 1aey s LEU 31 Ca 0.07 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 54.05 1aey s LEU 31 Cb -0.25 -3.88 0.12 0.00 0.03 0.00 0.00 46.19 42.21 1aey s LEU 31 CO 0.07 -0.90 0.37 -0.89 0.23 0.00 0.00 176.35 175.22 1aey s THR 32 N -2.99 4.40 0.13 5.49 2.01 -1.22 -2.35 115.64 121.10 1aey s THR 32 Ca 0.52 -1.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1aey s THR 32 Cb -0.11 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1aey s THR 32 CO 0.48 -0.77 0.98 -0.22 -0.69 0.00 0.00 174.62 174.40 1aey s LEU 33 N 1.41 4.51 -0.06 4.42 2.96 -0.16 -0.25 118.68 131.51 1aey s LEU 33 Ca 0.05 1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 55.74 1aey s LEU 33 Cb -0.27 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 1aey s LEU 33 CO 0.00 -0.07 -0.11 -0.11 -1.32 0.00 0.00 176.35 174.74 1aey n LEU 34 N 2.67 0.66 -4.05 -0.68 7.94 0.44 -3.75 117.00 120.24 1aey n LEU 34 Ca 0.02 0.17 -0.27 0.00 -1.11 0.00 0.00 56.01 54.82 1aey n LEU 34 Cb 0.49 -0.59 -0.17 0.00 0.53 0.00 0.00 43.42 43.68 1aey n LEU 34 CO 0.51 -0.43 -0.49 0.21 -1.11 0.00 0.00 177.39 176.08 1aey s ASN 35 N -4.59 2.18 -0.19 1.96 3.84 -0.08 -4.98 114.94 113.08 1aey s ASN 35 Ca -0.09 -0.37 0.16 0.00 0.21 0.00 0.00 52.86 52.76 1aey s ASN 35 Cb 0.01 -0.99 0.45 0.00 -0.55 0.00 0.00 41.25 40.18 1aey s ASN 35 CO 0.14 0.03 1.18 -1.54 -2.79 0.00 0.00 177.10 174.12 1aey n SER 36 N 3.98 2.35 -0.31 -4.21 3.41 -1.26 -0.89 113.62 116.69 1aey n SER 36 Ca -0.20 -3.05 0.04 0.00 -0.26 0.00 0.00 58.87 55.40 1aey n SER 36 Cb 0.52 -0.42 0.18 0.00 -0.26 0.00 0.00 64.21 64.23 1aey n SER 36 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1aey h THR 37 N 3.63 0.92 -4.00 6.66 2.02 -1.95 -3.43 112.91 116.76 1aey h THR 37 Ca 0.01 -0.29 -0.44 0.00 0.77 0.00 0.00 66.41 66.46 1aey h THR 37 Cb 1.40 0.00 0.17 0.00 -1.74 0.00 0.00 68.15 67.98 1aey h THR 37 CO 0.26 0.15 0.42 0.20 0.37 0.00 0.00 175.52 176.92 1aey s ASN 38 N -5.64 3.03 -0.05 4.18 0.01 -1.26 -5.02 114.94 110.20 1aey s ASN 38 Ca -0.12 0.25 0.20 0.00 -0.71 0.00 0.00 52.86 52.48 1aey s ASN 38 Cb 0.20 -0.28 0.38 0.00 0.41 0.00 0.00 41.25 41.95 1aey s ASN 38 CO 0.79 -2.79 1.16 0.29 -1.51 0.00 0.00 177.10 175.04 1aey n LYS 39 N -3.80 0.36 0.03 -0.60 5.02 -1.26 -4.85 118.16 113.07 1aey n LYS 39 Ca 0.15 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 1aey n LYS 39 Cb 0.59 -0.43 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 1aey n LYS 39 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1aey n ASP 40 N 0.05 0.14 -3.86 4.39 2.03 -1.26 -4.78 116.55 113.26 1aey n ASP 40 Ca 0.08 0.10 -0.27 0.00 0.52 0.00 0.00 54.79 55.23 1aey n ASP 40 Cb 0.99 0.02 -0.17 0.00 -0.72 0.00 0.00 41.12 41.24 1aey n ASP 40 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1aey s TRP 41 N -2.00 1.38 -0.01 -0.67 0.52 -1.26 -0.47 118.94 116.42 1aey s TRP 41 Ca 0.00 -0.77 -0.08 0.00 0.02 0.00 0.00 56.10 55.28 1aey s TRP 41 Cb 0.00 -1.17 -0.05 0.00 -1.15 0.00 0.00 33.47 31.10 1aey s TRP 41 CO 0.00 -0.52 0.26 -1.58 0.02 0.00 0.00 176.95 175.13 1aey s TRP 42 N 1.74 3.60 -0.16 -1.98 0.51 -0.23 -4.51 118.94 117.91 1aey s TRP 42 Ca 0.03 0.62 -0.16 0.00 -2.12 0.00 0.00 56.10 54.47 1aey s TRP 42 Cb -0.14 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.46 1aey s TRP 42 CO -0.07 0.64 0.38 0.21 -0.51 0.00 0.00 176.95 177.60 1aey s LYS 43 N -1.56 4.26 0.03 4.98 2.20 -0.07 -0.69 119.74 128.90 1aey s LYS 43 Ca 0.25 0.24 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1aey s LYS 43 Cb -0.13 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1aey s LYS 43 CO 0.14 0.13 -0.06 0.14 -0.36 0.00 0.00 175.35 175.34 1aey s VAL 44 N 0.78 0.36 -0.18 4.02 -7.23 0.32 -0.42 120.40 118.05 1aey s VAL 44 Ca 0.20 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 59.18 1aey s VAL 44 Cb -0.14 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1aey s VAL 44 CO 0.07 -0.36 1.02 -0.70 -0.31 0.00 0.00 175.10 174.82 1aey s GLU 45 N -1.34 4.33 -0.35 4.82 -6.30 0.65 -0.90 118.70 119.62 1aey s GLU 45 Ca -0.10 1.37 0.01 0.00 -2.50 0.00 0.00 54.97 53.75 1aey s GLU 45 Cb -0.09 -3.60 0.15 0.00 0.00 0.00 0.00 34.13 30.59 1aey s GLU 45 CO -0.00 -0.49 0.32 0.54 0.02 0.00 0.00 175.26 175.64 1aey s VAL 46 N 2.68 -0.23 0.00 3.70 0.11 -0.06 -3.46 120.40 123.14 1aey s VAL 46 Ca 0.46 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1aey s VAL 46 Cb -0.16 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1aey s VAL 46 CO 0.11 -0.66 0.00 0.59 -3.33 0.00 0.00 175.10 171.82 1aey n ASN 47 N 4.44 0.00 -0.01 3.54 3.02 -1.26 -2.60 115.26 122.40 1aey n ASN 47 Ca 0.08 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.74 1aey n ASN 47 Cb 0.43 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.45 1aey n ASN 47 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1aey n ASP 48 N 2.16 0.34 -3.78 6.41 5.75 -1.26 -5.00 116.55 121.17 1aey n ASP 48 Ca 0.00 -0.33 -0.13 0.00 -0.01 0.00 0.00 54.79 54.32 1aey n ASP 48 Cb 0.00 1.67 -0.09 0.00 -1.03 0.00 0.00 41.12 41.66 1aey n ASP 48 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1aey s ARG 49 N -3.35 0.55 -1.46 0.11 0.52 -1.07 -5.01 118.95 109.25 1aey s ARG 49 Ca -0.03 -0.06 -0.14 0.00 -0.52 0.00 0.00 55.73 54.99 1aey s ARG 49 Cb 0.15 0.25 0.04 0.00 0.52 0.00 0.00 34.95 35.90 1aey s ARG 49 CO 0.90 -0.13 2.22 1.04 0.02 0.00 0.00 175.30 179.34 1aey n GLN 50 N 1.76 2.86 -2.91 3.54 6.02 -1.26 -0.88 117.38 126.51 1aey n GLN 50 Ca -0.19 -2.61 -0.19 0.00 -0.01 0.00 0.00 57.00 54.00 1aey n GLN 50 Cb 0.56 -3.29 0.03 0.00 1.02 0.00 0.00 30.24 28.56 1aey n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1aey s GLY 51 N 3.22 1.87 -0.02 1.08 0.00 -0.07 -4.65 107.32 108.74 1aey s GLY 51 Ca 0.47 -1.70 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 1aey s GLY 51 CO -0.09 -1.42 0.41 -1.36 0.00 0.00 0.00 173.10 170.65 1aey s PHE 52 N -2.55 3.69 0.05 1.90 0.08 0.60 -0.53 117.98 121.23 1aey s PHE 52 Ca 0.58 0.96 0.09 0.00 0.12 0.00 0.00 56.93 58.68 1aey s PHE 52 Cb -0.09 -2.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1aey s PHE 52 CO 0.36 0.56 -0.24 0.14 -0.10 0.00 0.00 175.22 175.94 1aey s VAL 53 N -0.78 1.97 -0.10 -0.44 -7.23 0.13 -2.12 120.40 111.83 1aey s VAL 53 Ca 0.24 -1.36 -0.36 0.00 -1.81 0.00 0.00 61.98 58.68 1aey s VAL 53 Cb -0.16 -1.70 -0.13 0.00 0.56 0.00 0.00 36.38 34.94 1aey s VAL 53 CO 0.13 0.27 1.76 -2.65 -0.31 0.00 0.00 175.10 174.30 1aey n PRO 54 N 1.69 1.81 0.29 4.82 -0.02 -1.26 -1.07 135.00 141.27 1aey n PRO 54 Ca -0.17 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 1aey n PRO 54 Cb 0.53 -2.44 0.89 0.00 -0.02 0.00 0.00 33.50 32.46 1aey n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aey h ALA 55 N 7.87 1.58 0.03 3.55 0.00 -1.09 -2.30 119.26 128.91 1aey h ALA 55 Ca -0.47 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1aey h ALA 55 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1aey h ALA 55 CO 0.93 -0.00 -0.12 0.00 0.00 0.00 0.00 179.25 180.06 1aey h ALA 56 N 2.00 -0.15 -0.44 0.00 0.00 -1.86 -3.22 119.26 115.58 1aey h ALA 56 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1aey h ALA 56 Cb 0.01 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 1aey h ALA 56 CO -0.00 -0.62 0.26 0.66 0.00 0.00 0.00 179.25 179.55 1aey n TYR 57 N -5.24 1.37 -4.17 0.00 4.01 -0.86 -4.80 117.16 107.46 1aey n TYR 57 Ca -0.06 -1.00 -0.14 0.00 -0.16 0.00 0.00 57.90 56.54 1aey n TYR 57 Cb 0.16 -0.53 -0.11 0.00 -0.31 0.00 0.00 39.34 38.56 1aey n TYR 57 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1aey s VAL 58 N -1.61 0.92 -0.21 -0.72 -7.23 -1.22 -0.37 120.40 109.97 1aey s VAL 58 Ca 0.27 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1aey s VAL 58 Cb 0.22 -1.35 0.04 0.00 0.56 0.00 0.00 36.38 35.86 1aey s VAL 58 CO 0.06 -0.56 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.42 1aey s LYS 59 N -2.78 2.17 0.11 4.82 2.36 0.38 -4.83 119.74 121.98 1aey s LYS 59 Ca 0.05 -0.91 -0.31 0.00 -2.55 0.00 0.00 55.97 52.25 1aey s LYS 59 Cb -0.03 -2.50 -0.08 0.00 -1.05 0.00 0.00 37.83 34.17 1aey s LYS 59 CO -0.00 -0.42 1.51 0.21 1.55 0.00 0.00 175.35 178.19 1aey s LYS 60 N 1.34 4.25 -0.00 4.03 2.20 -1.26 -0.64 119.74 129.66 1aey s LYS 60 Ca -0.02 2.21 0.21 0.00 -0.36 0.00 0.00 55.97 58.02 1aey s LYS 60 Cb -0.16 -3.33 -0.23 0.00 -1.51 0.00 0.00 37.83 32.60 1aey s LYS 60 CO -0.08 -0.57 0.83 1.28 -0.36 0.00 0.00 175.35 176.45 1aey n LEU 61 N 4.46 0.79 0.00 5.43 4.77 -0.13 -4.91 117.00 127.40 1aey n LEU 61 Ca 0.13 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1aey n LEU 61 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1aey n LEU 61 CO 0.60 0.19 0.00 0.47 -1.33 0.00 0.00 177.39 177.33