#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 3.89 -2.82 1.61 4.81 -1.26 -4.96 118.16 119.43 1aey n LYS 6 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1aey n LYS 6 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 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 0.48 3.72 0.22 1.64 2.02 -1.26 -4.94 118.70 120.59 1aey s GLU 7 Ca 0.00 0.40 -0.30 0.00 0.02 0.00 0.00 54.97 55.09 1aey s GLU 7 Cb 0.00 -3.85 -0.09 0.00 0.10 0.00 0.00 34.13 30.30 1aey s GLU 7 CO 0.00 -1.04 0.95 -0.51 0.02 0.00 0.00 175.26 174.68 1aey s LEU 8 N 3.55 4.63 -0.03 1.80 1.43 -1.26 -0.34 118.68 128.46 1aey s LEU 8 Ca 0.37 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 1aey s LEU 8 Cb -0.11 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1aey s LEU 8 CO 0.21 0.12 -0.04 0.68 0.23 0.00 0.00 176.35 177.55 1aey s VAL 9 N -1.03 0.45 -0.15 -1.59 -7.23 -0.96 -1.22 120.40 108.67 1aey s VAL 9 Ca 0.42 -0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.27 1aey s VAL 9 Cb -0.26 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1aey s VAL 9 CO 0.32 0.18 0.51 -0.22 -0.31 0.00 0.00 175.10 175.58 1aey s LEU 10 N 0.55 4.22 0.05 1.32 0.20 0.51 -0.17 118.68 125.36 1aey s LEU 10 Ca -0.07 0.78 -0.30 0.00 0.69 0.00 0.00 54.13 55.23 1aey s LEU 10 Cb -0.10 -2.73 -0.04 0.00 -0.43 0.00 0.00 46.19 42.88 1aey s LEU 10 CO -0.00 -0.10 1.00 0.00 -0.29 0.00 0.00 176.35 176.96 1aey s ALA 11 N 1.12 3.21 -0.19 5.97 0.00 0.08 -0.78 121.76 131.17 1aey s ALA 11 Ca 0.26 0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.96 1aey s ALA 11 Cb -0.15 -3.33 -0.23 0.00 0.00 0.00 0.00 23.12 19.41 1aey s ALA 11 CO 0.10 -0.18 0.42 1.28 0.00 0.00 0.00 175.76 177.38 1aey n LEU 12 N 3.48 0.17 -3.79 0.00 4.77 0.33 -0.57 117.00 121.38 1aey n LEU 12 Ca 0.05 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 1aey n LEU 12 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1aey n LEU 12 CO 0.52 0.04 -0.12 -0.31 -1.33 0.00 0.00 177.39 176.19 1aey s TYR 13 N -2.94 -0.25 0.42 -1.77 2.02 -1.26 -4.86 117.35 108.72 1aey s TYR 13 Ca -0.03 0.60 -0.25 0.00 -0.37 0.00 0.00 57.07 57.03 1aey s TYR 13 Cb 0.10 0.08 -0.08 0.00 -0.40 0.00 0.00 41.96 41.67 1aey s TYR 13 CO 0.65 -0.12 1.21 -0.51 -1.57 0.00 0.00 175.55 175.21 1aey s ASP 14 N 0.16 6.34 -0.25 2.29 1.01 -1.26 -3.88 116.67 121.08 1aey s ASP 14 Ca -0.00 2.44 -0.06 0.00 0.71 0.00 0.00 52.55 55.63 1aey s ASP 14 Cb -0.02 -2.62 0.12 0.00 1.01 0.00 0.00 42.92 41.42 1aey s ASP 14 CO 0.00 -0.81 0.50 -0.47 0.21 0.00 0.00 175.17 174.60 1aey s TYR 15 N -1.39 -1.07 0.12 4.23 5.04 -0.27 -4.89 117.35 119.13 1aey s TYR 15 Ca 0.59 1.64 -0.21 0.00 -2.44 0.00 0.00 57.07 56.65 1aey s TYR 15 Cb -0.33 0.42 -0.07 0.00 0.35 0.00 0.00 41.96 42.33 1aey s TYR 15 CO 0.41 -0.63 0.65 -0.65 -1.34 0.00 0.00 175.55 173.99 1aey s GLN 16 N 2.71 4.31 0.28 4.97 -1.52 -1.26 -1.19 119.66 127.96 1aey s GLN 16 Ca 0.03 0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 54.01 1aey s GLN 16 Cb -0.13 -3.18 -0.11 0.00 -0.22 0.00 0.00 33.01 29.37 1aey s GLN 16 CO -0.16 0.58 1.51 -1.83 -0.25 0.00 0.00 175.29 175.13 1aey s GLU 17 N -1.28 4.19 0.00 2.91 -1.05 -1.26 -4.88 118.70 117.33 1aey s GLU 17 Ca 0.33 2.45 0.23 0.00 -0.15 0.00 0.00 54.97 57.83 1aey s GLU 17 Cb -0.20 -3.06 0.17 0.00 -0.44 0.00 0.00 34.13 30.60 1aey s GLU 17 CO 0.21 -0.51 1.20 1.63 0.95 0.00 0.00 175.26 178.74 1aey n LYS 18 N 2.00 1.26 -3.83 -4.83 4.76 -1.26 -4.97 118.16 111.29 1aey n LYS 18 Ca 0.06 -1.00 -0.06 0.00 -2.87 0.00 0.00 58.31 54.45 1aey n LYS 18 Cb 0.39 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.43 -0.23 0.54 4.39 1.04 -1.26 -4.99 113.70 110.75 1aey s SER 19 Ca 0.21 -0.57 0.20 0.00 0.48 0.00 0.00 55.95 56.26 1aey s SER 19 Cb 0.19 0.67 1.40 0.00 0.10 0.00 0.00 66.02 68.37 1aey s SER 19 CO 0.53 -1.25 2.15 -0.65 0.98 0.00 0.00 173.24 175.01 1aey h PRO 20 N 2.00 0.00 0.00 4.02 0.11 -2.03 -1.74 132.00 134.36 1aey h PRO 20 Ca -0.20 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.76 1aey h PRO 20 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1aey h PRO 20 CO 0.24 0.00 -0.69 0.07 -0.21 0.00 0.00 178.00 177.41 1aey h ARG 21 N 0.00 0.00 -7.25 1.05 0.11 -1.96 -3.44 114.38 102.89 1aey h ARG 21 Ca 0.03 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.62 1aey h ARG 21 Cb 0.11 0.00 0.04 0.00 1.11 0.00 0.00 29.97 31.23 1aey h ARG 21 CO -0.00 0.69 0.39 -1.21 0.10 0.00 0.00 179.97 179.94 1aey s GLU 22 N -2.92 3.76 0.01 0.08 8.01 -0.66 -0.95 118.70 126.03 1aey s GLU 22 Ca 0.02 0.91 0.00 0.00 0.01 0.00 0.00 54.97 55.92 1aey s GLU 22 Cb 0.09 -2.11 -0.01 0.00 -4.31 0.00 0.00 34.13 27.79 1aey s GLU 22 CO 0.77 -0.43 -0.02 0.14 0.01 0.00 0.00 175.26 175.73 1aey s VAL 23 N -2.79 0.08 0.54 2.63 -7.23 -0.93 -4.64 120.40 108.05 1aey s VAL 23 Ca 0.58 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 60.19 1aey s VAL 23 Cb -0.11 -0.14 -0.07 0.00 0.56 0.00 0.00 36.38 36.62 1aey s VAL 23 CO 0.39 -0.21 1.00 0.28 -0.31 0.00 0.00 175.10 176.26 1aey s THR 24 N -0.63 4.52 0.14 5.32 -1.32 -1.26 -4.48 115.64 117.92 1aey s THR 24 Ca -0.07 1.13 -0.12 0.00 -1.21 0.00 0.00 61.69 61.42 1aey s THR 24 Cb -0.04 -3.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.23 1aey s THR 24 CO -0.00 -0.77 0.32 0.00 -2.21 0.00 0.00 174.62 171.96 1aey s MET 25 N -4.29 1.08 0.18 7.08 0.23 -0.33 -4.95 119.30 118.29 1aey s MET 25 Ca 0.58 -0.95 0.06 0.00 -1.03 0.00 0.00 55.69 54.36 1aey s MET 25 Cb -0.10 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1aey s MET 25 CO 0.36 -0.40 0.10 -1.59 -2.03 0.00 0.00 175.02 171.46 1aey s LYS 26 N -3.88 2.75 0.78 3.16 -2.85 -1.26 -1.11 119.74 117.32 1aey s LYS 26 Ca 0.09 -0.97 -0.13 0.00 -1.00 0.00 0.00 55.97 53.97 1aey s LYS 26 Cb 0.03 -2.55 0.07 0.00 -2.06 0.00 0.00 37.83 33.32 1aey s LYS 26 CO -0.07 0.47 1.15 -1.59 0.10 0.00 0.00 175.35 175.41 1aey s LYS 27 N -3.14 1.96 0.00 1.78 -2.85 -1.25 -2.74 119.74 113.50 1aey s LYS 27 Ca 0.30 1.50 0.00 0.00 -1.00 0.00 0.00 55.97 56.77 1aey s LYS 27 Cb -0.10 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1aey s LYS 27 CO 0.22 -1.92 0.00 0.41 0.10 0.00 0.00 175.35 174.17 1aey n GLY 28 N -0.19 2.62 3.58 0.59 0.00 0.27 -4.93 105.19 107.12 1aey n GLY 28 Ca 0.11 -0.47 -0.50 0.00 0.00 0.00 0.00 46.02 45.17 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 1.01 2.75 -4.57 1.61 8.00 -1.11 -4.56 116.55 119.69 1aey n ASP 29 Ca 0.00 0.66 -0.42 0.00 0.71 0.00 0.00 54.79 55.74 1aey n ASP 29 Cb 0.00 -1.32 -0.03 0.00 -0.02 0.00 0.00 41.12 39.75 1aey n ASP 29 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1aey s ILE 30 N 5.87 4.11 0.78 0.53 2.07 -1.26 -0.74 121.20 132.55 1aey s ILE 30 Ca 1.01 0.79 -0.06 0.00 -1.41 0.00 0.00 60.65 60.98 1aey s ILE 30 Cb -0.77 -4.68 0.13 0.00 0.13 0.00 0.00 42.46 37.28 1aey s ILE 30 CO 0.50 -1.27 1.08 -0.76 -1.91 0.00 0.00 174.94 172.59 1aey s LEU 31 N 4.70 2.88 -0.22 8.50 1.43 0.77 -4.81 118.68 131.92 1aey s LEU 31 Ca 0.41 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1aey s LEU 31 Cb -0.08 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.83 1aey s LEU 31 CO 0.25 -2.02 -0.03 -0.89 0.23 0.00 0.00 176.35 173.88 1aey s THR 32 N -3.36 1.23 -0.27 5.49 2.01 -0.07 -2.26 115.64 118.41 1aey s THR 32 Ca 0.67 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 1aey s THR 32 Cb -0.06 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1aey s THR 32 CO 0.47 -0.12 1.09 -0.22 -0.69 0.00 0.00 174.62 175.15 1aey s LEU 33 N 1.54 4.02 -0.12 4.42 2.96 0.54 -0.58 118.68 131.46 1aey s LEU 33 Ca -0.04 1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 55.06 1aey s LEU 33 Cb -0.18 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1aey s LEU 33 CO -0.07 -0.80 0.03 0.25 -1.32 0.00 0.00 176.35 174.44 1aey h LEU 34 N 9.85 0.00 -7.43 -0.68 6.46 -1.18 -3.37 115.31 118.96 1aey h LEU 34 Ca -0.21 -0.12 -0.27 0.00 -0.12 0.00 0.00 57.88 57.17 1aey h LEU 34 Cb 1.07 0.00 -0.33 0.00 -0.73 0.00 0.00 40.66 40.67 1aey h LEU 34 CO 1.01 0.68 -0.64 0.21 -0.62 0.00 0.00 178.44 179.08 1aey s ASN 35 N -5.74 0.05 -0.21 1.25 2.47 -0.18 -5.00 114.94 107.58 1aey s ASN 35 Ca -0.08 0.24 0.14 0.00 0.42 0.00 0.00 52.86 53.58 1aey s ASN 35 Cb 0.01 0.13 0.45 0.00 -1.45 0.00 0.00 41.25 40.38 1aey s ASN 35 CO 0.16 -0.16 1.18 -1.54 -3.72 0.00 0.00 177.10 173.03 1aey n SER 36 N 4.35 2.61 -0.21 -4.21 3.41 -1.26 -1.04 113.62 117.27 1aey n SER 36 Ca -0.24 -3.22 0.01 0.00 -0.26 0.00 0.00 58.87 55.16 1aey n SER 36 Cb 0.51 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.30 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 3.16 1.18 -4.11 6.66 1.35 -1.97 -3.42 112.91 115.76 1aey h THR 37 Ca 0.06 -0.34 -0.45 0.00 -0.55 0.00 0.00 66.41 65.13 1aey h THR 37 Cb 1.37 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1aey h THR 37 CO 0.29 0.18 0.36 0.20 -0.25 0.00 0.00 175.52 176.30 1aey s ASN 38 N -6.36 6.77 -0.52 5.36 -0.87 -1.26 -4.98 114.94 113.08 1aey s ASN 38 Ca -0.11 1.67 0.02 0.00 -1.57 0.00 0.00 52.86 52.87 1aey s ASN 38 Cb 0.18 -2.53 0.50 0.00 -0.02 0.00 0.00 41.25 39.38 1aey s ASN 38 CO 0.78 -0.48 1.81 0.29 -2.57 0.00 0.00 177.10 176.93 1aey n LYS 39 N -1.00 2.66 0.19 -0.60 5.02 -1.26 -4.61 118.16 118.57 1aey n LYS 39 Ca 0.07 -3.37 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 1aey n LYS 39 Cb 0.54 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 -0.95 -2.62 -4.15 4.39 -0.08 -1.26 -4.88 116.55 107.00 1aey n ASP 40 Ca 0.56 0.71 -0.38 0.00 -1.51 0.00 0.00 54.79 54.17 1aey n ASP 40 Cb 0.95 2.53 -0.09 0.00 2.34 0.00 0.00 41.12 46.85 1aey n ASP 40 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1aey s TRP 41 N -1.89 3.49 0.18 -0.67 0.52 -1.26 -0.24 118.94 119.07 1aey s TRP 41 Ca 0.00 -2.43 -0.29 0.00 0.02 0.00 0.00 56.10 53.40 1aey s TRP 41 Cb 0.00 -3.33 -0.08 0.00 -1.15 0.00 0.00 33.47 28.91 1aey s TRP 41 CO 0.00 -0.91 0.90 -1.58 0.02 0.00 0.00 176.95 175.39 1aey s TRP 42 N 0.42 3.91 -0.12 -1.98 0.51 -0.73 -4.55 118.94 116.41 1aey s TRP 42 Ca 0.14 1.81 -0.18 0.00 -2.12 0.00 0.00 56.10 55.74 1aey s TRP 42 Cb -0.21 -2.95 -0.04 0.00 -0.81 0.00 0.00 33.47 29.46 1aey s TRP 42 CO -0.04 0.40 0.48 0.21 -0.51 0.00 0.00 176.95 177.49 1aey s LYS 43 N -0.81 4.34 0.04 4.98 2.20 -0.21 -0.69 119.74 129.59 1aey s LYS 43 Ca 0.41 0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 56.43 1aey s LYS 43 Cb -0.24 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1aey s LYS 43 CO 0.30 0.16 0.09 0.14 -0.36 0.00 0.00 175.35 175.68 1aey s VAL 44 N 0.62 0.13 -0.22 4.02 -7.23 -0.07 -0.61 120.40 117.04 1aey s VAL 44 Ca 0.26 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.06 1aey s VAL 44 Cb -0.15 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 35.91 1aey s VAL 44 CO 0.10 -0.60 1.00 -0.70 -0.31 0.00 0.00 175.10 174.59 1aey s GLU 45 N -2.57 4.26 -0.34 4.82 -6.30 0.26 -1.71 118.70 117.12 1aey s GLU 45 Ca -0.05 1.28 0.00 0.00 -2.50 0.00 0.00 54.97 53.71 1aey s GLU 45 Cb -0.01 -3.63 0.11 0.00 0.00 0.00 0.00 34.13 30.59 1aey s GLU 45 CO -0.04 -0.58 0.12 0.54 0.02 0.00 0.00 175.26 175.32 1aey s VAL 46 N 3.01 1.15 0.00 3.70 0.11 0.39 -0.89 120.40 127.88 1aey s VAL 46 Ca 0.43 -1.74 0.00 0.00 -2.93 0.00 0.00 61.98 57.73 1aey s VAL 46 Cb -0.15 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1aey s VAL 46 CO 0.07 -0.71 0.00 0.59 -3.33 0.00 0.00 175.10 171.72 1aey n ASN 47 N 4.52 0.00 -0.26 3.54 4.13 -1.26 -1.39 115.26 124.53 1aey n ASN 47 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1aey n ASN 47 Cb 0.41 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 1aey n ASN 47 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1aey n ASP 48 N 1.41 0.00 -4.15 6.41 5.75 -1.26 -5.10 116.55 119.61 1aey n ASP 48 Ca 0.00 -1.16 -0.27 0.00 -0.01 0.00 0.00 54.79 53.35 1aey n ASP 48 Cb 0.00 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 39.90 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 1.97 -0.95 0.11 3.00 -0.49 -5.08 118.95 117.51 1aey s ARG 49 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 55.73 54.95 1aey s ARG 49 Cb 0.00 -1.68 0.24 0.00 0.00 0.00 0.00 34.95 33.51 1aey s ARG 49 CO 0.00 0.25 0.92 -0.65 0.00 0.00 0.00 175.30 175.82 1aey s GLN 50 N 0.06 3.85 0.12 3.54 -0.21 -1.26 -0.46 119.66 125.29 1aey s GLN 50 Ca -0.05 -2.82 0.01 0.00 0.02 0.00 0.00 55.36 52.53 1aey s GLN 50 Cb -0.12 -4.47 -0.01 0.00 1.00 0.00 0.00 33.01 29.41 1aey s GLN 50 CO 0.03 -1.27 0.12 0.41 -2.12 0.00 0.00 175.29 172.47 1aey n GLY 51 N 3.37 3.33 3.85 3.09 0.00 -0.70 -4.90 105.19 113.23 1aey n GLY 51 Ca 0.18 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 3.63 0.05 1.61 0.08 -0.12 -0.89 117.98 119.22 1aey s PHE 52 Ca 0.13 0.95 0.03 0.00 0.12 0.00 0.00 56.93 58.16 1aey s PHE 52 Cb 0.00 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1aey s PHE 52 CO 0.09 0.52 -0.10 0.14 -0.10 0.00 0.00 175.22 175.77 1aey s VAL 53 N -1.34 0.74 -0.06 -0.44 -7.23 0.13 -2.18 120.40 110.02 1aey s VAL 53 Ca 0.33 -1.12 -0.33 0.00 -1.81 0.00 0.00 61.98 59.05 1aey s VAL 53 Cb -0.15 -0.76 -0.11 0.00 0.56 0.00 0.00 36.38 35.92 1aey s VAL 53 CO 0.18 -0.30 1.92 -2.65 -0.31 0.00 0.00 175.10 173.94 1aey n PRO 54 N 1.47 2.39 0.27 4.82 -0.02 -1.26 -1.77 135.00 140.91 1aey n PRO 54 Ca -0.22 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 1aey n PRO 54 Cb 0.55 -2.77 0.75 0.00 -0.02 0.00 0.00 33.50 32.01 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 9.81 1.72 -0.49 3.55 0.00 -0.96 -2.20 119.26 130.69 1aey h ALA 55 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1aey h ALA 55 Cb 1.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1aey h ALA 55 CO 0.95 0.03 0.30 0.00 0.00 0.00 0.00 179.25 180.53 1aey h ALA 56 N 1.97 0.63 -0.25 0.00 0.00 -1.90 -3.18 119.26 116.53 1aey h ALA 56 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1aey h ALA 56 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1aey h ALA 56 CO 0.00 0.11 0.03 0.66 0.00 0.00 0.00 179.25 180.06 1aey n TYR 57 N -4.70 0.89 -4.72 0.00 4.01 -0.83 -4.79 117.16 107.03 1aey n TYR 57 Ca 0.02 -0.39 -0.23 0.00 -0.16 0.00 0.00 57.90 57.14 1aey n TYR 57 Cb 0.05 -0.30 -0.15 0.00 -0.31 0.00 0.00 39.34 38.63 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 -1.66 1.26 -0.36 -0.72 -7.23 -1.20 -0.52 120.40 109.97 1aey s VAL 58 Ca 0.22 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 1aey s VAL 58 Cb 0.17 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 36.06 1aey s VAL 58 CO 0.06 0.32 0.22 -0.75 -0.31 0.00 0.00 175.10 174.64 1aey s LYS 59 N -0.46 3.14 -0.27 4.82 2.20 0.04 -4.92 119.74 124.30 1aey s LYS 59 Ca 0.06 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.51 1aey s LYS 59 Cb -0.06 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1aey s LYS 59 CO -0.00 -0.58 1.62 0.21 -0.36 0.00 0.00 175.35 176.24 1aey s LYS 60 N 1.64 3.68 -0.12 4.03 2.20 -1.26 -0.36 119.74 129.54 1aey s LYS 60 Ca 0.04 1.51 -0.24 0.00 -0.36 0.00 0.00 55.97 56.92 1aey s LYS 60 Cb -0.18 -4.06 -0.26 0.00 -1.51 0.00 0.00 37.83 31.81 1aey s LYS 60 CO 0.08 -1.44 0.68 -0.07 -0.36 0.00 0.00 175.35 174.25 1aey h LEU 61 N 12.14 0.17 0.00 5.43 3.38 -1.52 -3.49 115.31 131.42 1aey h LEU 61 Ca -0.33 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.75 1aey h LEU 61 Cb 1.15 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1aey h LEU 61 CO 1.02 1.26 0.00 0.47 0.09 0.00 0.00 178.44 181.28