#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 1.23 -2.72 1.61 2.85 -0.69 -4.09 118.16 116.36 1aey n LYS 6 Ca 0.00 -1.87 -0.40 0.00 -1.05 0.00 0.00 58.31 54.99 1aey n LYS 6 Cb 0.00 -0.09 -0.06 0.00 -0.65 0.00 0.00 35.03 34.24 1aey n LYS 6 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1aey s GLU 7 N -0.14 4.81 0.19 -1.58 8.01 -1.16 -4.44 118.70 124.39 1aey s GLU 7 Ca 0.20 1.52 -0.30 0.00 0.01 0.00 0.00 54.97 56.40 1aey s GLU 7 Cb 0.41 -3.28 -0.08 0.00 -4.31 0.00 0.00 34.13 26.87 1aey s GLU 7 CO -0.09 0.44 0.97 -0.51 0.01 0.00 0.00 175.26 176.08 1aey s LEU 8 N -1.03 4.58 -0.02 1.80 2.01 -1.26 -0.44 118.68 124.32 1aey s LEU 8 Ca 0.42 1.92 0.02 0.00 0.01 0.00 0.00 54.13 56.50 1aey s LEU 8 Cb -0.26 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.34 1aey s LEU 8 CO 0.33 0.03 -0.09 0.68 1.01 0.00 0.00 176.35 178.31 1aey s VAL 9 N -0.66 0.74 -0.08 -1.59 -7.23 -1.04 -0.79 120.40 109.76 1aey s VAL 9 Ca 0.44 -0.35 -0.23 0.00 -1.81 0.00 0.00 61.98 60.02 1aey s VAL 9 Cb -0.26 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 1aey s VAL 9 CO 0.32 0.23 0.69 -0.22 -0.31 0.00 0.00 175.10 175.81 1aey s LEU 10 N 0.08 4.30 -0.13 1.32 2.96 0.22 -0.45 118.68 126.97 1aey s LEU 10 Ca -0.01 1.15 -0.29 0.00 -0.22 0.00 0.00 54.13 54.76 1aey s LEU 10 Cb -0.07 -3.06 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1aey s LEU 10 CO 0.00 -0.13 1.05 0.00 -1.32 0.00 0.00 176.35 175.95 1aey s ALA 11 N 0.92 3.49 -0.06 5.97 0.00 0.01 -1.14 121.76 130.94 1aey s ALA 11 Ca 0.37 0.36 0.14 0.00 0.00 0.00 0.00 51.96 52.82 1aey s ALA 11 Cb -0.17 -3.48 -0.19 0.00 0.00 0.00 0.00 23.12 19.28 1aey s ALA 11 CO 0.17 -0.76 0.80 -0.07 0.00 0.00 0.00 175.76 175.90 1aey h LEU 12 N 8.46 0.00 -8.35 0.00 3.38 -1.23 -0.07 115.31 117.50 1aey h LEU 12 Ca -0.28 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.33 1aey h LEU 12 Cb 1.13 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 1aey h LEU 12 CO 0.89 0.84 -0.76 -0.31 0.09 0.00 0.00 178.44 179.19 1aey s TYR 13 N -2.73 1.04 -1.27 1.13 2.02 -1.25 -4.86 117.35 111.42 1aey s TYR 13 Ca -0.03 -0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 55.99 1aey s TYR 13 Cb 0.08 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 41.06 1aey s TYR 13 CO 0.82 0.01 1.99 -0.25 -1.57 0.00 0.00 175.55 176.55 1aey n ASP 14 N 1.20 3.93 -4.74 2.29 8.00 -1.26 -3.73 116.55 122.23 1aey n ASP 14 Ca -0.21 -2.83 -0.40 0.00 0.71 0.00 0.00 54.79 52.07 1aey n ASP 14 Cb 0.55 -1.61 -0.05 0.00 -0.02 0.00 0.00 41.12 39.98 1aey n ASP 14 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1aey s TYR 15 N 4.66 3.69 -0.16 1.24 5.04 0.12 -4.90 117.35 127.05 1aey s TYR 15 Ca 0.53 1.37 -0.07 0.00 -2.44 0.00 0.00 57.07 56.47 1aey s TYR 15 Cb 0.09 -2.78 -0.04 0.00 0.35 0.00 0.00 41.96 39.58 1aey s TYR 15 CO 0.02 0.25 0.08 -0.65 -1.34 0.00 0.00 175.55 173.91 1aey s GLN 16 N 0.11 3.79 0.26 4.97 -1.52 -1.26 -1.44 119.66 124.57 1aey s GLN 16 Ca 0.37 -0.29 -0.31 0.00 -1.95 0.00 0.00 55.36 53.19 1aey s GLN 16 Cb -0.19 -3.20 -0.13 0.00 -0.22 0.00 0.00 33.01 29.27 1aey s GLN 16 CO 0.21 0.43 1.43 -0.85 -0.25 0.00 0.00 175.29 176.26 1aey n GLU 17 N 3.05 2.16 -0.12 2.91 0.28 -1.26 -4.92 120.64 122.75 1aey n GLU 17 Ca -0.17 0.77 -0.24 0.00 -0.16 0.00 0.00 57.16 57.36 1aey n GLU 17 Cb 0.53 -2.44 -0.08 0.00 1.43 0.00 0.00 31.44 30.88 1aey n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1aey n LYS 18 N 1.94 0.53 -2.76 3.44 4.76 -1.26 -4.97 118.16 119.83 1aey n LYS 18 Ca 0.10 0.23 -0.26 0.00 -2.87 0.00 0.00 58.31 55.52 1aey n LYS 18 Cb 0.33 -1.39 0.01 0.00 -1.84 0.00 0.00 35.03 32.13 1aey n LYS 18 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1aey s SER 19 N -7.02 6.03 0.52 4.39 1.04 -1.26 -4.96 113.70 112.44 1aey s SER 19 Ca -0.34 0.68 0.24 0.00 0.48 0.00 0.00 55.95 57.02 1aey s SER 19 Cb 0.12 -1.95 1.33 0.00 0.10 0.00 0.00 66.02 65.62 1aey s SER 19 CO 0.44 -0.67 1.72 -0.65 0.98 0.00 0.00 173.24 175.05 1aey h PRO 20 N 0.25 0.00 0.16 4.02 0.11 -2.04 -1.81 132.00 132.69 1aey h PRO 20 Ca -0.47 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 1aey h PRO 20 Cb 1.23 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.37 1aey h PRO 20 CO 0.60 0.00 -1.13 0.00 -0.21 0.00 0.00 178.00 177.27 1aey h ARG 21 N 0.00 0.48 -7.21 1.05 3.08 -1.96 -3.47 114.38 106.34 1aey h ARG 21 Ca 0.00 -0.73 -0.48 0.00 0.07 0.00 0.00 59.98 58.84 1aey h ARG 21 Cb 0.54 0.26 0.02 0.00 0.08 0.00 0.00 29.97 30.87 1aey h ARG 21 CO 0.00 1.33 0.38 -1.21 -1.07 0.00 0.00 179.97 179.40 1aey s GLU 22 N -2.70 3.88 0.07 0.04 2.02 -0.68 -0.74 118.70 120.58 1aey s GLU 22 Ca -0.11 0.94 0.04 0.00 0.02 0.00 0.00 54.97 55.87 1aey s GLU 22 Cb 0.03 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 1aey s GLU 22 CO 0.90 -0.33 -0.12 0.14 0.02 0.00 0.00 175.26 175.86 1aey s VAL 23 N -2.68 0.98 0.37 2.63 -7.23 -0.85 -4.70 120.40 108.92 1aey s VAL 23 Ca 0.59 -1.32 -0.24 0.00 -1.81 0.00 0.00 61.98 59.20 1aey s VAL 23 Cb -0.10 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.71 1aey s VAL 23 CO 0.34 -0.31 0.97 -0.89 -0.31 0.00 0.00 175.10 174.90 1aey s THR 24 N -1.48 4.16 0.00 5.32 2.01 -1.26 -4.27 115.64 120.12 1aey s THR 24 Ca -0.02 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 1aey s THR 24 Cb -0.09 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 1aey s THR 24 CO 0.02 -0.01 0.01 0.00 -0.69 0.00 0.00 174.62 173.94 1aey s MET 25 N -2.45 0.12 0.33 4.92 0.23 -0.52 -4.96 119.30 116.97 1aey s MET 25 Ca 0.55 -0.18 -0.03 0.00 -1.03 0.00 0.00 55.69 55.00 1aey s MET 25 Cb -0.17 0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.13 1aey s MET 25 CO 0.22 -0.02 0.58 -1.59 -2.03 0.00 0.00 175.02 172.18 1aey s LYS 26 N -0.46 3.57 0.30 3.16 -2.85 -1.26 -0.70 119.74 121.49 1aey s LYS 26 Ca -0.05 -0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 54.53 1aey s LYS 26 Cb -0.03 -2.62 -0.13 0.00 -2.06 0.00 0.00 37.83 32.99 1aey s LYS 26 CO -0.00 0.14 1.35 1.17 0.10 0.00 0.00 175.35 178.11 1aey n LYS 27 N -1.41 2.13 0.00 1.78 4.81 -1.24 -1.92 118.16 122.31 1aey n LYS 27 Ca -0.02 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1aey n LYS 27 Cb 0.55 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.22 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 1.39 2.39 3.70 3.14 0.00 -0.04 -4.97 105.19 110.81 1aey n GLY 28 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.50 -4.34 1.61 8.00 -0.81 -4.64 116.55 119.87 1aey n ASP 29 Ca 0.00 1.11 -0.45 0.00 0.71 0.00 0.00 54.79 56.15 1aey n ASP 29 Cb 0.00 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 39.53 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 0.55 5.16 0.81 0.53 -4.36 -1.26 -0.81 121.20 121.81 1aey s ILE 30 Ca 0.72 -1.32 -0.10 0.00 -0.26 0.00 0.00 60.65 59.68 1aey s ILE 30 Cb -0.57 -4.32 0.12 0.00 1.25 0.00 0.00 42.46 38.94 1aey s ILE 30 CO 0.41 -0.84 1.15 -0.76 0.24 0.00 0.00 174.94 175.14 1aey s LEU 31 N 1.77 2.74 -0.28 0.37 1.43 0.40 -4.78 118.68 120.33 1aey s LEU 31 Ca 0.05 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1aey s LEU 31 Cb -0.28 -2.71 0.08 0.00 0.03 0.00 0.00 46.19 43.30 1aey s LEU 31 CO 0.04 -2.08 -0.03 -0.89 0.23 0.00 0.00 176.35 173.62 1aey s THR 32 N -3.51 1.98 -0.49 5.49 2.01 0.28 -2.48 115.64 118.91 1aey s THR 32 Ca 0.66 -1.76 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 1aey s THR 32 Cb -0.08 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1aey s THR 32 CO 0.48 -0.27 1.05 -0.22 -0.69 0.00 0.00 174.62 174.98 1aey s LEU 33 N 1.14 3.78 0.00 4.42 2.96 0.42 -0.72 118.68 130.67 1aey s LEU 33 Ca -0.01 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1aey s LEU 33 Cb -0.19 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1aey s LEU 33 CO -0.08 -1.20 0.01 -0.11 -1.32 0.00 0.00 176.35 173.65 1aey n LEU 34 N 7.63 0.67 -4.40 -0.68 7.94 -0.53 -1.54 117.00 126.09 1aey n LEU 34 Ca 0.09 0.39 -0.38 0.00 -1.11 0.00 0.00 56.01 55.00 1aey n LEU 34 Cb 0.49 -0.39 -0.12 0.00 0.53 0.00 0.00 43.42 43.93 1aey n LEU 34 CO 0.69 -0.39 -0.25 0.21 -1.11 0.00 0.00 177.39 176.54 1aey s ASN 35 N -2.55 5.31 -0.06 1.96 2.47 0.21 -0.07 114.94 122.22 1aey s ASN 35 Ca 0.00 -0.56 0.12 0.00 0.42 0.00 0.00 52.86 52.84 1aey s ASN 35 Cb 0.00 -1.94 0.33 0.00 -1.45 0.00 0.00 41.25 38.19 1aey s ASN 35 CO 0.00 -0.17 1.26 -1.54 -3.72 0.00 0.00 177.10 172.93 1aey n SER 36 N 4.93 3.04 -0.19 -4.21 3.41 -1.26 -2.04 113.62 117.29 1aey n SER 36 Ca -0.14 -2.37 -0.06 0.00 -0.26 0.00 0.00 58.87 56.04 1aey n SER 36 Cb 0.49 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1aey n SER 36 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1aey h THR 37 N 1.55 1.10 -4.31 6.66 1.35 -1.93 -3.45 112.91 113.88 1aey h THR 37 Ca 0.00 -0.25 -0.50 0.00 -0.55 0.00 0.00 66.41 65.12 1aey h THR 37 Cb 0.93 0.32 0.05 0.00 -1.73 0.00 0.00 68.15 67.72 1aey h THR 37 CO 0.07 0.13 0.40 0.20 -0.25 0.00 0.00 175.52 176.07 1aey s ASN 38 N -5.66 6.23 0.01 5.36 -0.87 -1.26 -4.99 114.94 113.76 1aey s ASN 38 Ca -0.13 1.49 0.12 0.00 -1.57 0.00 0.00 52.86 52.77 1aey s ASN 38 Cb 0.13 -2.48 -0.21 0.00 -0.02 0.00 0.00 41.25 38.67 1aey s ASN 38 CO 0.75 -0.86 0.85 0.07 -2.57 0.00 0.00 177.10 175.33 1aey h LYS 39 N -0.02 0.00 0.00 -0.60 2.10 -2.00 -3.44 116.57 112.61 1aey h LYS 39 Ca -0.45 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.03 1aey h LYS 39 Cb 1.19 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.50 1aey h LYS 39 CO 0.61 0.60 -1.58 -0.40 -2.00 0.00 0.00 179.45 176.68 1aey n ASP 40 N -3.11 0.97 -3.89 7.07 5.68 -1.26 -4.55 116.55 117.45 1aey n ASP 40 Ca -0.12 0.11 -0.30 0.00 -0.50 0.00 0.00 54.79 53.98 1aey n ASP 40 Cb 1.00 -0.29 -0.15 0.00 -1.14 0.00 0.00 41.12 40.53 1aey n ASP 40 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1aey s TRP 41 N -2.19 2.50 0.37 2.11 0.52 -1.26 -0.58 118.94 120.41 1aey s TRP 41 Ca -0.14 -2.03 -0.16 0.00 0.02 0.00 0.00 56.10 53.78 1aey s TRP 41 Cb 0.05 -1.93 -0.09 0.00 -1.15 0.00 0.00 33.47 30.35 1aey s TRP 41 CO 0.19 -0.84 0.81 -1.58 0.02 0.00 0.00 176.95 175.54 1aey s TRP 42 N 1.35 3.37 -0.18 -1.98 0.51 -0.72 -4.59 118.94 116.70 1aey s TRP 42 Ca 0.03 1.30 -0.08 0.00 -2.12 0.00 0.00 56.10 55.23 1aey s TRP 42 Cb -0.18 -2.61 -0.04 0.00 -0.81 0.00 0.00 33.47 29.82 1aey s TRP 42 CO -0.12 -0.01 0.08 0.21 -0.51 0.00 0.00 176.95 176.60 1aey s LYS 43 N -3.21 3.94 0.05 4.98 2.20 -0.87 -0.84 119.74 125.99 1aey s LYS 43 Ca 0.56 -0.30 -0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1aey s LYS 43 Cb -0.10 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1aey s LYS 43 CO 0.19 0.34 0.06 0.14 -0.36 0.00 0.00 175.35 175.72 1aey s VAL 44 N 0.18 0.16 -0.19 4.02 -7.23 -0.00 -0.62 120.40 116.72 1aey s VAL 44 Ca 0.06 -1.30 -0.23 0.00 -1.81 0.00 0.00 61.98 58.70 1aey s VAL 44 Cb -0.12 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1aey s VAL 44 CO -0.00 -0.72 0.74 -0.70 -0.31 0.00 0.00 175.10 174.12 1aey s GLU 45 N -3.05 4.25 -0.17 4.82 -6.30 0.10 -1.10 118.70 117.25 1aey s GLU 45 Ca -0.01 0.83 -0.02 0.00 -2.50 0.00 0.00 54.97 53.27 1aey s GLU 45 Cb 0.01 -3.58 0.05 0.00 0.00 0.00 0.00 34.13 30.62 1aey s GLU 45 CO -0.07 -0.31 0.02 0.54 0.02 0.00 0.00 175.26 175.46 1aey s VAL 46 N 2.11 0.62 0.00 3.70 0.11 0.11 -0.56 120.40 126.49 1aey s VAL 46 Ca 0.34 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1aey s VAL 46 Cb -0.16 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1aey s VAL 46 CO 0.11 -0.10 0.00 0.59 -3.33 0.00 0.00 175.10 172.37 1aey n ASN 47 N 5.02 0.00 -0.65 3.54 3.02 -1.26 -1.26 115.26 123.67 1aey n ASN 47 Ca -0.09 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.45 1aey n ASN 47 Cb 0.47 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.11 -0.16 -3.71 6.41 5.75 -1.26 -5.11 116.55 119.57 1aey n ASP 48 Ca 0.00 -1.39 -0.24 0.00 -0.01 0.00 0.00 54.79 53.15 1aey n ASP 48 Cb 0.00 0.02 -0.17 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.00 0.38 -1.18 0.11 0.52 -0.39 -5.08 118.95 113.30 1aey s ARG 49 Ca 0.02 0.00 -0.15 0.00 -0.52 0.00 0.00 55.73 55.08 1aey s ARG 49 Cb 0.02 -1.31 0.16 0.00 0.52 0.00 0.00 34.95 34.33 1aey s ARG 49 CO -0.01 -0.46 1.43 -0.65 0.02 0.00 0.00 175.30 175.63 1aey s GLN 50 N 2.02 4.02 0.27 3.54 -0.21 -1.26 -0.72 119.66 127.32 1aey s GLN 50 Ca 0.03 -2.42 0.05 0.00 0.02 0.00 0.00 55.36 53.04 1aey s GLN 50 Cb -0.14 -5.10 -0.02 0.00 1.00 0.00 0.00 33.01 28.76 1aey s GLN 50 CO -0.06 -1.82 0.26 0.41 -2.12 0.00 0.00 175.29 171.96 1aey n GLY 51 N 4.41 2.98 3.83 3.09 0.00 -0.26 -4.90 105.19 114.35 1aey n GLY 51 Ca 0.36 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 1aey n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aey s PHE 52 N -3.12 3.41 0.03 1.61 0.40 0.08 -0.82 117.98 119.57 1aey s PHE 52 Ca 0.30 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 58.01 1aey s PHE 52 Cb 0.01 -2.63 -0.02 0.00 0.51 0.00 0.00 43.02 40.89 1aey s PHE 52 CO 0.22 0.09 -0.07 0.14 0.70 0.00 0.00 175.22 176.30 1aey s VAL 53 N -1.94 0.48 -0.14 -0.44 -7.23 -0.02 -2.00 120.40 109.11 1aey s VAL 53 Ca 0.54 -0.85 -0.32 0.00 -1.81 0.00 0.00 61.98 59.54 1aey s VAL 53 Cb -0.11 -0.52 -0.09 0.00 0.56 0.00 0.00 36.38 36.22 1aey s VAL 53 CO 0.17 -0.27 2.05 -2.65 -0.31 0.00 0.00 175.10 174.10 1aey n PRO 54 N 1.84 2.08 0.07 4.82 -0.02 -1.26 -1.76 135.00 140.77 1aey n PRO 54 Ca -0.20 0.69 0.19 0.00 -2.02 0.00 0.00 63.50 62.16 1aey n PRO 54 Cb 0.56 -2.86 0.73 0.00 -0.02 0.00 0.00 33.50 31.90 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 11.70 2.26 -0.49 3.55 0.00 -1.11 -0.43 119.26 134.74 1aey h ALA 55 Ca -0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1aey h ALA 55 Cb 1.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1aey h ALA 55 CO 0.96 -0.54 0.21 0.00 0.00 0.00 0.00 179.25 179.87 1aey h ALA 56 N 1.71 1.44 -0.59 0.00 0.00 -1.80 -3.17 119.26 116.86 1aey h ALA 56 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1aey h ALA 56 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1aey h ALA 56 CO -0.00 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.34 1aey n TYR 57 N -4.36 2.02 -4.61 0.00 4.01 -0.17 -4.87 117.16 109.18 1aey n TYR 57 Ca 0.04 -0.71 -0.22 0.00 -0.16 0.00 0.00 57.90 56.85 1aey n TYR 57 Cb 0.15 -0.48 -0.15 0.00 -0.31 0.00 0.00 39.34 38.55 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 -2.65 1.19 -0.29 -0.72 -7.23 -1.20 -0.67 120.40 108.83 1aey s VAL 58 Ca 0.54 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.91 1aey s VAL 58 Cb 0.41 -1.02 0.02 0.00 0.56 0.00 0.00 36.38 36.35 1aey s VAL 58 CO 0.17 0.25 0.04 -0.75 -0.31 0.00 0.00 175.10 174.50 1aey s LYS 59 N -0.58 2.85 0.07 4.82 2.20 -0.30 -4.93 119.74 123.87 1aey s LYS 59 Ca 0.05 -1.00 -0.31 0.00 -0.36 0.00 0.00 55.97 54.35 1aey s LYS 59 Cb -0.06 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.93 1aey s LYS 59 CO -0.00 -0.50 1.30 0.21 -0.36 0.00 0.00 175.35 176.01 1aey s LYS 60 N 1.40 4.36 -0.12 4.03 2.20 -1.26 -0.61 119.74 129.74 1aey s LYS 60 Ca 0.00 1.92 -0.19 0.00 -0.36 0.00 0.00 55.97 57.33 1aey s LYS 60 Cb -0.18 -3.35 -0.17 0.00 -1.51 0.00 0.00 37.83 32.62 1aey s LYS 60 CO 0.00 -0.39 0.53 -0.07 -0.36 0.00 0.00 175.35 175.07 1aey h LEU 61 N 7.10 -0.01 -0.77 5.43 3.38 -1.33 -3.48 115.31 125.63 1aey h LEU 61 Ca -0.41 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 56.91 1aey h LEU 61 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1aey h LEU 61 CO 0.85 0.81 0.00 0.47 0.09 0.00 0.00 178.44 180.66