#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 3.82 -3.51 1.61 4.76 -1.26 -5.13 118.16 118.45 1aey n LYS 6 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1aey n LYS 6 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1aey n LYS 6 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1aey s GLU 7 N 2.68 3.82 -0.03 1.97 0.41 -1.24 -4.99 118.70 121.30 1aey s GLU 7 Ca 0.00 0.25 0.07 0.00 -0.41 0.00 0.00 54.97 54.88 1aey s GLU 7 Cb 0.00 -2.95 -0.01 0.00 -1.78 0.00 0.00 34.13 29.38 1aey s GLU 7 CO 0.00 0.52 -0.23 -0.51 -0.49 0.00 0.00 175.26 174.55 1aey s LEU 8 N -2.01 2.04 -0.02 1.80 1.43 -1.26 -0.02 118.68 120.64 1aey s LEU 8 Ca 0.35 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1aey s LEU 8 Cb -0.14 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1aey s LEU 8 CO 0.19 0.26 -0.04 0.68 0.23 0.00 0.00 176.35 177.67 1aey s VAL 9 N -0.37 0.37 -0.12 -1.59 -7.23 -0.39 -1.06 120.40 110.01 1aey s VAL 9 Ca 0.04 -0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 59.91 1aey s VAL 9 Cb -0.11 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.43 1aey s VAL 9 CO 0.01 0.14 0.43 -0.22 -0.31 0.00 0.00 175.10 175.14 1aey s LEU 10 N 0.32 4.28 -0.20 1.32 1.98 0.24 -0.41 118.68 126.21 1aey s LEU 10 Ca -0.03 0.75 -0.29 0.00 -2.89 0.00 0.00 54.13 51.66 1aey s LEU 10 Cb -0.07 -2.61 0.00 0.00 0.66 0.00 0.00 46.19 44.18 1aey s LEU 10 CO -0.00 0.05 1.08 0.00 -1.89 0.00 0.00 176.35 175.58 1aey s ALA 11 N 0.45 3.65 0.10 5.97 0.00 -0.21 -0.90 121.76 130.82 1aey s ALA 11 Ca 0.23 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.47 1aey s ALA 11 Cb -0.15 -3.55 -0.24 0.00 0.00 0.00 0.00 23.12 19.18 1aey s ALA 11 CO 0.09 -1.01 1.21 -0.07 0.00 0.00 0.00 175.76 175.98 1aey h LEU 12 N 9.30 0.20 -8.28 0.00 3.38 -1.05 0.56 115.31 119.41 1aey h LEU 12 Ca -0.22 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 1aey h LEU 12 Cb 1.08 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 1aey h LEU 12 CO 0.96 1.17 -0.69 -0.31 0.09 0.00 0.00 178.44 179.66 1aey s TYR 13 N -2.68 0.64 0.50 1.13 2.02 -1.24 -4.77 117.35 112.95 1aey s TYR 13 Ca -0.01 -0.93 -0.22 0.00 -0.37 0.00 0.00 57.07 55.54 1aey s TYR 13 Cb 0.09 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 41.17 1aey s TYR 13 CO 0.85 -0.26 1.18 -0.51 -1.57 0.00 0.00 175.55 175.24 1aey s ASP 14 N -2.75 5.86 -0.18 2.29 1.01 -1.26 -3.56 116.67 118.08 1aey s ASP 14 Ca 0.06 2.33 -0.15 0.00 0.71 0.00 0.00 52.55 55.50 1aey s ASP 14 Cb 0.04 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1aey s ASP 14 CO -0.07 -1.13 0.48 -0.47 0.21 0.00 0.00 175.17 174.19 1aey s TYR 15 N -1.58 -0.57 -0.18 4.23 5.04 -0.51 -4.86 117.35 118.93 1aey s TYR 15 Ca 0.68 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 56.62 1aey s TYR 15 Cb -0.29 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.23 1aey s TYR 15 CO 0.34 -0.29 -0.08 -0.65 -1.34 0.00 0.00 175.55 173.53 1aey s GLN 16 N 0.57 3.37 0.05 4.97 1.11 -1.26 -1.02 119.66 127.45 1aey s GLN 16 Ca -0.03 -0.65 -0.38 0.00 0.01 0.00 0.00 55.36 54.31 1aey s GLN 16 Cb -0.04 -2.84 -0.18 0.00 -1.01 0.00 0.00 33.01 28.94 1aey s GLN 16 CO -0.03 -0.02 1.20 -0.85 0.01 0.00 0.00 175.29 175.60 1aey n GLU 17 N 4.24 0.61 -0.06 2.91 0.28 -1.26 -4.90 120.64 122.45 1aey n GLU 17 Ca -0.18 0.22 -0.04 0.00 -0.16 0.00 0.00 57.16 57.00 1aey n GLU 17 Cb 0.52 -1.79 -0.13 0.00 1.43 0.00 0.00 31.44 31.47 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 2.01 1.22 -4.41 3.44 4.76 -1.26 -4.98 118.16 118.95 1aey n LYS 18 Ca 0.19 -0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.38 1aey n LYS 18 Cb 0.14 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 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 -4.69 2.94 0.48 4.39 1.04 -1.26 -5.04 113.70 111.56 1aey s SER 19 Ca -0.07 -1.07 0.23 0.00 0.48 0.00 0.00 55.95 55.51 1aey s SER 19 Cb 0.06 -0.20 1.27 0.00 0.10 0.00 0.00 66.02 67.26 1aey s SER 19 CO 0.66 -0.16 1.93 -0.65 0.98 0.00 0.00 173.24 175.99 1aey h PRO 20 N 2.39 0.18 0.00 4.02 0.11 -2.04 -0.78 132.00 135.88 1aey h PRO 20 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1aey h PRO 20 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1aey h PRO 20 CO 0.63 0.12 0.00 0.07 -0.21 0.00 0.00 178.00 178.61 1aey h ARG 21 N 0.18 0.00 -7.26 1.05 0.11 -1.97 -3.45 114.38 103.05 1aey h ARG 21 Ca 0.36 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.96 1aey h ARG 21 Cb 1.16 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.27 1aey h ARG 21 CO -0.07 0.00 0.39 -1.21 0.10 0.00 0.00 179.97 179.19 1aey s GLU 22 N -3.26 3.81 0.01 0.08 2.02 -0.30 -0.70 118.70 120.36 1aey s GLU 22 Ca 0.06 0.88 0.01 0.00 0.02 0.00 0.00 54.97 55.95 1aey s GLU 22 Cb 0.06 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 1aey s GLU 22 CO 0.65 -0.39 -0.04 0.14 0.02 0.00 0.00 175.26 175.64 1aey s VAL 23 N -2.83 0.27 0.18 2.63 -7.23 -0.97 -4.73 120.40 107.71 1aey s VAL 23 Ca 0.58 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.05 1aey s VAL 23 Cb -0.10 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.48 1aey s VAL 23 CO 0.40 -0.09 0.98 -0.89 -0.31 0.00 0.00 175.10 175.19 1aey s THR 24 N -0.49 4.20 0.14 5.32 2.01 -1.26 -4.38 115.64 121.18 1aey s THR 24 Ca -0.03 1.99 0.05 0.00 0.31 0.00 0.00 61.69 64.00 1aey s THR 24 Cb -0.04 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1aey s THR 24 CO -0.00 0.38 -0.11 0.00 -0.69 0.00 0.00 174.62 174.20 1aey s MET 25 N -0.56 1.04 0.07 4.92 0.23 -0.19 -4.86 119.30 119.95 1aey s MET 25 Ca 0.45 -1.38 0.04 0.00 -1.03 0.00 0.00 55.69 53.77 1aey s MET 25 Cb -0.26 -0.70 -0.04 0.00 -1.53 0.00 0.00 34.83 32.31 1aey s MET 25 CO 0.32 0.10 0.01 0.15 -2.03 0.00 0.00 175.02 173.57 1aey s LYS 26 N -3.40 2.66 0.14 3.16 1.02 -1.26 -1.42 119.74 120.63 1aey s LYS 26 Ca 0.14 -0.76 -0.35 0.00 0.02 0.00 0.00 55.97 55.02 1aey s LYS 26 Cb 0.00 -2.60 -0.15 0.00 -0.52 0.00 0.00 37.83 34.57 1aey s LYS 26 CO 0.01 0.56 1.51 1.17 -0.92 0.00 0.00 175.35 177.69 1aey n LYS 27 N 0.74 1.87 0.00 1.68 4.81 -1.23 -1.72 118.16 124.31 1aey n LYS 27 Ca -0.11 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1aey n LYS 27 Cb 0.52 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.16 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 3.18 1.77 3.77 3.14 0.00 0.19 -4.90 105.19 112.33 1aey n GLY 28 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1aey n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aey s ASP 29 N -1.59 6.11 -0.60 1.61 1.01 -0.70 -4.68 116.67 117.85 1aey s ASP 29 Ca 0.00 2.85 -0.20 0.00 0.71 0.00 0.00 52.55 55.91 1aey s ASP 29 Cb 0.00 -2.65 0.10 0.00 1.01 0.00 0.00 42.92 41.37 1aey s ASP 29 CO 0.00 -1.01 0.74 0.27 0.21 0.00 0.00 175.17 175.39 1aey s ILE 30 N -1.21 4.74 0.36 0.77 -4.36 -1.26 -1.05 121.20 119.19 1aey s ILE 30 Ca 0.58 -0.86 -0.24 0.00 -0.26 0.00 0.00 60.65 59.87 1aey s ILE 30 Cb -0.42 -4.51 -0.10 0.00 1.25 0.00 0.00 42.46 38.67 1aey s ILE 30 CO 0.55 -1.17 0.95 -0.76 0.24 0.00 0.00 174.94 174.75 1aey s LEU 31 N 2.92 4.20 -0.51 0.37 1.02 0.45 -4.86 118.68 122.27 1aey s LEU 31 Ca 0.13 1.79 -0.15 0.00 0.02 0.00 0.00 54.13 55.92 1aey s LEU 31 Cb -0.23 -4.19 0.11 0.00 0.02 0.00 0.00 46.19 41.90 1aey s LEU 31 CO 0.07 -0.17 0.45 -0.89 0.02 0.00 0.00 176.35 175.84 1aey s THR 32 N -1.81 5.12 -0.03 5.49 2.01 -0.21 -1.26 115.64 124.96 1aey s THR 32 Ca 0.54 -1.39 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 1aey s THR 32 Cb -0.15 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1aey s THR 32 CO 0.20 -0.77 1.03 -0.22 -0.69 0.00 0.00 174.62 174.17 1aey s LEU 33 N 1.59 4.33 -0.22 4.42 2.96 0.97 -0.31 118.68 132.42 1aey s LEU 33 Ca 0.03 1.68 -0.11 0.00 -0.22 0.00 0.00 54.13 55.51 1aey s LEU 33 Cb -0.28 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.75 1aey s LEU 33 CO 0.04 -0.37 -0.28 -0.11 -1.32 0.00 0.00 176.35 174.31 1aey n LEU 34 N 4.34 1.52 -3.64 -0.68 7.94 0.15 -3.73 117.00 122.90 1aey n LEU 34 Ca 0.08 0.26 -0.29 0.00 -1.11 0.00 0.00 56.01 54.94 1aey n LEU 34 Cb 0.49 -0.63 -0.14 0.00 0.53 0.00 0.00 43.42 43.67 1aey n LEU 34 CO 0.53 0.44 -0.31 0.20 -1.11 0.00 0.00 177.39 177.13 1aey s ASN 35 N -6.93 3.66 -0.18 1.96 0.02 0.11 -4.97 114.94 108.60 1aey s ASN 35 Ca -0.30 -1.85 -0.05 0.00 -1.02 0.00 0.00 52.86 49.64 1aey s ASN 35 Cb 0.12 -0.70 -0.12 0.00 0.02 0.00 0.00 41.25 40.56 1aey s ASN 35 CO 0.38 -0.37 3.21 -1.54 0.02 0.00 0.00 177.10 178.80 1aey n SER 36 N 4.54 5.74 0.53 -1.22 3.41 -1.26 -0.83 113.62 124.54 1aey n SER 36 Ca 0.02 -2.77 -0.21 0.00 -0.26 0.00 0.00 58.87 55.65 1aey n SER 36 Cb 0.40 -1.33 -0.10 0.00 -0.26 0.00 0.00 64.21 62.92 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 1.94 0.00 -3.76 6.66 2.02 -1.94 -3.45 112.91 114.39 1aey h THR 37 Ca 0.26 -0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.98 1aey h THR 37 Cb 1.18 0.00 0.09 0.00 -1.74 0.00 0.00 68.15 67.69 1aey h THR 37 CO 0.48 0.00 0.27 0.20 0.37 0.00 0.00 175.52 176.84 1aey s ASN 38 N -3.96 4.51 -0.04 4.18 0.01 -1.26 -5.01 114.94 113.38 1aey s ASN 38 Ca -0.20 0.40 -0.22 0.00 -0.71 0.00 0.00 52.86 52.14 1aey s ASN 38 Cb 0.02 -0.93 -0.31 0.00 0.41 0.00 0.00 41.25 40.44 1aey s ASN 38 CO 0.59 -1.81 0.90 0.11 -1.51 0.00 0.00 177.10 175.38 1aey h LYS 39 N -0.79 0.31 0.00 -0.60 1.57 -1.99 -3.42 116.57 111.64 1aey h LYS 39 Ca -0.44 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 57.81 1aey h LYS 39 Cb 1.30 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 1aey h LYS 39 CO 0.56 1.24 -0.09 -0.44 -0.57 0.00 0.00 179.45 180.16 1aey h ASP 40 N -0.36 0.00 -3.79 0.86 3.32 -1.95 -3.42 116.42 111.08 1aey h ASP 40 Ca -0.14 -0.55 -0.68 0.00 0.02 0.00 0.00 57.03 55.68 1aey h ASP 40 Cb 1.64 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.84 1aey h ASP 40 CO 0.15 0.83 -0.73 0.26 -1.72 0.00 0.00 179.24 178.03 1aey s TRP 41 N -1.97 3.30 -0.02 4.55 0.52 -1.26 -0.81 118.94 123.25 1aey s TRP 41 Ca -0.12 -2.11 -0.14 0.00 0.02 0.00 0.00 56.10 53.75 1aey s TRP 41 Cb -0.01 -2.13 -0.05 0.00 -1.15 0.00 0.00 33.47 30.12 1aey s TRP 41 CO 0.40 -0.85 0.37 -1.58 0.02 0.00 0.00 176.95 175.31 1aey s TRP 42 N 1.18 3.71 -0.02 -1.98 0.51 -0.89 -4.00 118.94 117.44 1aey s TRP 42 Ca -0.05 0.92 -0.23 0.00 -2.12 0.00 0.00 56.10 54.62 1aey s TRP 42 Cb -0.20 -2.24 -0.05 0.00 -0.81 0.00 0.00 33.47 30.18 1aey s TRP 42 CO -0.03 0.65 0.67 0.21 -0.51 0.00 0.00 176.95 177.95 1aey s LYS 43 N -1.05 4.41 0.25 4.98 2.20 -0.01 -0.59 119.74 129.93 1aey s LYS 43 Ca 0.22 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.70 1aey s LYS 43 Cb -0.16 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1aey s LYS 43 CO 0.12 0.21 0.14 0.14 -0.36 0.00 0.00 175.35 175.61 1aey s VAL 44 N 0.28 0.20 -0.18 4.02 -7.23 0.07 -0.67 120.40 116.88 1aey s VAL 44 Ca 0.35 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 1aey s VAL 44 Cb -0.18 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1aey s VAL 44 CO 0.19 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.24 1aey s GLU 45 N -3.98 3.53 -0.20 4.82 2.12 0.57 -1.14 118.70 124.43 1aey s GLU 45 Ca 0.38 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 1aey s GLU 45 Cb 0.06 -2.95 0.08 0.00 0.26 0.00 0.00 34.13 31.58 1aey s GLU 45 CO 0.15 0.04 0.45 0.54 -0.54 0.00 0.00 175.26 175.90 1aey s VAL 46 N 0.88 -0.38 0.00 3.70 0.11 -0.32 -1.05 120.40 123.34 1aey s VAL 46 Ca -0.01 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1aey s VAL 46 Cb -0.15 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.02 1aey s VAL 46 CO 0.01 0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.42 1aey n ASN 47 N 4.89 0.00 0.00 3.54 3.02 -1.26 -0.84 115.26 124.60 1aey n ASN 47 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1aey n ASN 47 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 1.09 0.00 -4.35 6.41 5.75 -1.26 -5.12 116.55 119.06 1aey n ASP 48 Ca 0.00 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.57 1aey n ASP 48 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.63 -0.05 0.11 1.81 -0.02 -5.15 118.95 117.28 1aey s ARG 49 Ca 0.00 -1.92 0.03 0.00 -1.72 0.00 0.00 55.73 52.12 1aey s ARG 49 Cb 0.00 -0.64 0.00 0.00 -0.45 0.00 0.00 34.95 33.86 1aey s ARG 49 CO 0.00 -0.27 -0.15 -1.14 -0.68 0.00 0.00 175.30 173.06 1aey s GLN 50 N -3.90 1.69 0.00 3.54 0.74 -1.26 -1.17 119.66 119.30 1aey s GLN 50 Ca 0.35 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.25 1aey s GLN 50 Cb 0.07 -1.44 0.00 0.00 1.10 0.00 0.00 33.01 32.75 1aey s GLN 50 CO 0.15 0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.45 1aey n GLY 51 N 3.41 -1.32 3.83 2.59 0.00 -0.29 -4.93 105.19 108.48 1aey n GLY 51 Ca -0.20 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.09 3.34 0.06 1.61 0.40 0.12 -0.75 117.98 120.68 1aey s PHE 52 Ca 0.00 1.49 0.04 0.00 -0.60 0.00 0.00 56.93 57.86 1aey s PHE 52 Cb 0.00 -2.75 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1aey s PHE 52 CO 0.00 -0.03 -0.12 0.14 0.70 0.00 0.00 175.22 175.90 1aey s VAL 53 N -2.10 0.96 -0.14 -0.44 -7.23 0.24 -2.30 120.40 109.39 1aey s VAL 53 Ca 0.59 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 1aey s VAL 53 Cb -0.10 -0.94 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 1aey s VAL 53 CO 0.15 -0.24 2.10 -2.65 -0.31 0.00 0.00 175.10 174.15 1aey n PRO 54 N 1.39 2.19 0.18 4.82 -0.02 -1.26 -2.09 135.00 140.21 1aey n PRO 54 Ca -0.21 0.70 0.18 0.00 -2.02 0.00 0.00 63.50 62.16 1aey n PRO 54 Cb 0.54 -3.02 0.80 0.00 -0.02 0.00 0.00 33.50 31.81 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 12.71 1.83 0.06 3.55 0.00 -1.22 -1.71 119.26 134.48 1aey h ALA 55 Ca -0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1aey h ALA 55 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1aey h ALA 55 CO 0.96 -0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 1aey h ALA 56 N 1.57 -0.08 -0.29 0.00 0.00 -1.86 -3.26 119.26 115.35 1aey h ALA 56 Ca 0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1aey h ALA 56 Cb 0.77 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1aey h ALA 56 CO -0.00 -0.50 0.13 0.66 0.00 0.00 0.00 179.25 179.54 1aey n TYR 57 N -5.09 0.94 -4.21 0.00 4.01 -0.64 -4.78 117.16 107.40 1aey n TYR 57 Ca -0.08 -0.67 -0.16 0.00 -0.16 0.00 0.00 57.90 56.84 1aey n TYR 57 Cb 0.09 -0.39 -0.11 0.00 -0.31 0.00 0.00 39.34 38.62 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 -1.37 1.12 -0.13 -0.72 -7.23 -1.23 -0.39 120.40 110.45 1aey s VAL 58 Ca 0.20 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1aey s VAL 58 Cb 0.16 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.65 1aey s VAL 58 CO 0.05 -0.51 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.42 1aey s LYS 59 N -2.80 2.33 0.04 4.82 2.20 -0.08 -4.86 119.74 121.39 1aey s LYS 59 Ca 0.08 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1aey s LYS 59 Cb -0.03 -2.04 -0.06 0.00 -1.51 0.00 0.00 37.83 34.19 1aey s LYS 59 CO 0.01 -0.15 1.29 0.21 -0.36 0.00 0.00 175.35 176.35 1aey s LYS 60 N 1.23 4.36 -0.14 4.03 2.20 -1.26 -0.59 119.74 129.56 1aey s LYS 60 Ca -0.01 1.87 -0.27 0.00 -0.36 0.00 0.00 55.97 57.20 1aey s LYS 60 Cb -0.14 -3.41 -0.24 0.00 -1.51 0.00 0.00 37.83 32.53 1aey s LYS 60 CO -0.06 -0.40 0.67 -0.07 -0.36 0.00 0.00 175.35 175.13 1aey h LEU 61 N 7.39 0.00 0.00 5.43 3.38 -1.46 -3.48 115.31 126.57 1aey h LEU 61 Ca -0.40 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.67 1aey h LEU 61 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1aey h LEU 61 CO 0.86 1.02 0.00 0.47 0.09 0.00 0.00 178.44 180.87