#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yha s ILE 2 N 0.00 4.10 0.06 3.17 1.01 -1.26 -4.94 121.20 123.34 1yha s ILE 2 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1yha s ILE 2 Cb 0.00 -4.84 -0.09 0.00 0.01 0.00 0.00 42.46 37.54 1yha s ILE 2 CO 0.00 -1.68 1.89 -0.54 0.00 0.00 0.00 174.94 174.61 1yha s LYS 3 N 4.61 4.14 -0.02 2.79 -0.14 -1.25 -2.22 119.74 127.66 1yha s LYS 3 Ca 0.32 2.57 0.03 0.00 -1.36 0.00 0.00 55.97 57.53 1yha s LYS 3 Cb -0.10 -3.95 -0.00 0.00 -1.68 0.00 0.00 37.83 32.10 1yha s LYS 3 CO 0.06 -0.91 -0.11 0.08 -0.76 0.00 0.00 175.35 173.72 1yha s VAL 4 N 3.82 0.88 -0.05 3.17 1.01 0.36 -1.04 120.40 128.54 1yha s VAL 4 Ca 0.85 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1yha s VAL 4 Cb -0.43 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1yha s VAL 4 CO 0.39 0.26 0.14 -1.83 0.00 0.00 0.00 175.10 174.05 1yha s GLU 5 N -0.10 0.16 -0.47 2.72 -1.05 0.10 0.02 118.70 120.08 1yha s GLU 5 Ca 0.02 0.19 -0.15 0.00 -0.15 0.00 0.00 54.97 54.88 1yha s GLU 5 Cb -0.06 0.07 0.07 0.00 -0.44 0.00 0.00 34.13 33.77 1yha s GLU 5 CO -0.00 -0.02 0.38 0.42 0.95 0.00 0.00 175.26 176.99 1yha s ILE 6 N 0.09 5.21 0.64 1.83 1.09 -0.25 -1.21 121.20 128.58 1yha s ILE 6 Ca -0.00 -1.04 -0.15 0.00 -1.10 0.00 0.00 60.65 58.36 1yha s ILE 6 Cb -0.01 -4.10 -0.01 0.00 -1.06 0.00 0.00 42.46 37.28 1yha s ILE 6 CO 0.00 -0.55 1.08 -0.54 -0.10 0.00 0.00 174.94 174.83 1yha s LYS 7 N 1.64 3.01 0.07 2.79 1.02 -1.26 -1.12 119.74 125.89 1yha s LYS 7 Ca 0.04 1.28 -0.13 0.00 0.02 0.00 0.00 55.97 57.18 1yha s LYS 7 Cb -0.24 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1yha s LYS 7 CO 0.07 -1.07 0.69 -2.30 -0.92 0.00 0.00 175.35 171.82 1yha n PRO 8 N -2.33 -0.18 0.08 -1.68 -0.02 -1.26 -0.79 135.00 128.82 1yha n PRO 8 Ca 0.09 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.31 1yha n PRO 8 Cb 0.52 -0.99 0.32 0.00 -0.02 0.00 0.00 33.50 33.33 1yha n PRO 8 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1yha n SER 9 N -4.33 0.30 -0.00 2.55 3.41 -1.26 -2.05 113.62 112.23 1yha n SER 9 Ca 0.01 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.35 1yha n SER 9 Cb 0.11 -0.67 -0.14 0.00 -0.26 0.00 0.00 64.21 63.24 1yha n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yha n GLN 10 N -1.90 0.40 -0.86 4.33 6.02 0.03 -4.80 117.38 120.59 1yha n GLN 10 Ca -0.00 -0.10 -0.39 0.00 -0.01 0.00 0.00 57.00 56.50 1yha n GLN 10 Cb 0.04 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.74 1yha n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yha n ALA 11 N -1.86 2.68 0.00 -1.58 0.00 -0.87 -4.50 120.51 114.38 1yha n ALA 11 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1yha n ALA 11 Cb 0.44 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.36 1yha n ALA 11 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1yha n GLN 12 N 6.82 -1.38 -4.41 0.00 -0.06 -1.26 -4.95 117.38 112.14 1yha n GLN 12 Ca 0.45 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 55.25 1yha n GLN 12 Cb 0.35 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.43 1yha n GLN 12 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1yha s PHE 13 N -2.00 1.88 0.11 3.69 -0.12 -1.26 -4.48 117.98 115.79 1yha s PHE 13 Ca 0.00 -0.77 0.10 0.00 -0.05 0.00 0.00 56.93 56.21 1yha s PHE 13 Cb 0.00 -1.10 -0.04 0.00 -0.63 0.00 0.00 43.02 41.25 1yha s PHE 13 CO 0.00 0.18 -0.27 0.99 -0.05 0.00 0.00 175.22 176.08 1yha s THR 14 N -3.13 2.21 -0.23 -4.49 2.01 0.07 -4.86 115.64 107.22 1yha s THR 14 Ca 0.30 -1.67 -0.10 0.00 0.31 0.00 0.00 61.69 60.53 1yha s THR 14 Cb 0.05 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1yha s THR 14 CO 0.12 0.15 0.14 -0.89 -0.69 0.00 0.00 174.62 173.45 1yha s THR 15 N -1.01 5.29 -0.11 -0.82 2.01 -1.26 -0.70 115.64 119.04 1yha s THR 15 Ca 0.13 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 1yha s THR 15 Cb -0.10 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 1yha s THR 15 CO 0.05 0.37 -0.10 0.00 -0.69 0.00 0.00 174.62 174.25 1yha s ARG 16 N 0.91 3.20 -0.00 4.92 1.70 -0.26 -4.96 118.95 124.45 1yha s ARG 16 Ca 0.07 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 1yha s ARG 16 Cb -0.13 -2.64 0.00 0.00 -0.57 0.00 0.00 34.95 31.61 1yha s ARG 16 CO 0.03 0.36 -0.00 -1.54 -1.08 0.00 0.00 175.30 173.07 1yha s SER 17 N -0.01 0.04 0.00 -2.89 1.04 -1.26 -1.15 113.70 109.47 1yha s SER 17 Ca -0.02 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1yha s SER 17 Cb -0.14 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1yha s SER 17 CO 0.04 0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1yha n GLY 18 N 3.10 1.48 3.00 7.32 0.00 -1.00 -5.02 105.19 114.08 1yha n GLY 18 Ca -0.12 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1yha n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yha s VAL 19 N 0.32 0.80 0.42 1.61 1.01 -1.26 -2.27 120.40 121.03 1yha s VAL 19 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1yha s VAL 19 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 1yha s VAL 19 CO 0.00 0.25 1.33 -1.54 0.00 0.00 0.00 175.10 175.13 1yha n SER 20 N 3.29 2.83 0.00 3.32 3.41 -0.34 -4.89 113.62 121.24 1yha n SER 20 Ca -0.18 1.13 0.02 0.00 -0.26 0.00 0.00 58.87 59.57 1yha n SER 20 Cb 0.54 -1.53 0.09 0.00 -0.26 0.00 0.00 64.21 63.05 1yha n SER 20 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1yha n ARG 21 N 0.05 0.50 -0.70 4.33 0.00 -1.26 0.12 116.66 119.69 1yha n ARG 21 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1yha n ARG 21 Cb 0.40 -1.10 0.34 0.00 -0.00 0.00 0.00 32.46 32.10 1yha n ARG 21 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1yha n GLN 22 N -0.60 4.06 -3.75 2.89 0.00 -1.26 -4.97 117.38 113.76 1yha n GLN 22 Ca 0.02 -3.02 -0.28 0.00 -0.00 0.00 0.00 57.00 53.72 1yha n GLN 22 Cb 0.01 -2.08 0.03 0.00 0.00 0.00 0.00 30.24 28.20 1yha n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yha n GLY 23 N 0.18 -0.71 3.24 1.69 0.00 0.31 -5.01 105.19 104.90 1yha n GLY 23 Ca 0.25 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 1yha n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yha s LYS 24 N -6.11 1.54 0.02 1.61 2.47 -1.16 -4.93 119.74 113.18 1yha s LYS 24 Ca 0.29 -0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 53.55 1yha s LYS 24 Cb -0.10 -1.57 -0.04 0.00 -1.46 0.00 0.00 37.83 34.65 1yha s LYS 24 CO 0.86 0.42 1.15 -2.14 0.16 0.00 0.00 175.35 175.79 1yha s PRO 25 N -0.85 4.44 0.07 4.03 0.02 -1.26 -1.20 135.00 140.25 1yha s PRO 25 Ca 0.08 1.67 0.09 0.00 0.02 0.00 0.00 61.00 62.86 1yha s PRO 25 Cb -0.08 -3.42 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 1yha s PRO 25 CO 0.01 -0.25 -0.25 1.52 -0.33 0.00 0.00 177.00 177.70 1yha s TYR 26 N 1.29 2.37 -0.41 6.54 1.13 -0.96 -4.92 117.35 122.39 1yha s TYR 26 Ca 0.56 -0.37 0.05 0.00 -1.41 0.00 0.00 57.07 55.90 1yha s TYR 26 Cb -0.26 -1.37 0.19 0.00 -1.10 0.00 0.00 41.96 39.41 1yha s TYR 26 CO 0.27 0.21 0.39 0.45 -2.51 0.00 0.00 175.55 174.36 1yha n SER 27 N 1.49 -0.41 -4.66 -0.18 2.88 -1.26 -2.38 113.62 109.10 1yha n SER 27 Ca -0.17 -2.45 -0.41 0.00 -1.33 0.00 0.00 58.87 54.51 1yha n SER 27 Cb 0.52 -0.53 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 1yha n SER 27 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1yha s LEU 28 N -0.19 4.15 -0.11 2.46 1.43 -0.30 -4.89 118.68 121.24 1yha s LEU 28 Ca 0.33 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1yha s LEU 28 Cb 0.07 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1yha s LEU 28 CO -0.18 -0.42 0.26 0.20 0.23 0.00 0.00 176.35 176.44 1yha s ASN 29 N 1.20 6.50 0.05 2.29 0.01 -1.26 -1.11 114.94 122.63 1yha s ASN 29 Ca 0.37 0.59 0.07 0.00 -0.71 0.00 0.00 52.86 53.18 1yha s ASN 29 Cb -0.16 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1yha s ASN 29 CO 0.11 0.28 -0.20 -1.61 -1.51 0.00 0.00 177.10 174.17 1yha s GLU 30 N -0.49 1.27 0.06 -0.60 2.02 0.12 0.30 118.70 121.38 1yha s GLU 30 Ca 0.17 -0.96 0.04 0.00 0.02 0.00 0.00 54.97 54.24 1yha s GLU 30 Cb -0.13 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.67 1yha s GLU 30 CO 0.06 0.35 -0.12 -1.14 0.02 0.00 0.00 175.26 174.43 1yha s GLN 31 N -1.32 0.71 0.02 1.61 0.74 0.55 -0.75 119.66 121.21 1yha s GLN 31 Ca 0.06 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.65 1yha s GLN 31 Cb -0.09 -0.62 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 1yha s GLN 31 CO 0.02 0.14 0.02 -0.51 -0.55 0.00 0.00 175.29 174.41 1yha s LEU 32 N -1.58 3.59 0.15 3.68 1.43 -1.26 0.42 118.68 125.10 1yha s LEU 32 Ca -0.05 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1yha s LEU 32 Cb -0.10 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1yha s LEU 32 CO 0.01 0.26 0.02 0.00 0.23 0.00 0.00 176.35 176.87 1yha s TYR 34 N -3.80 3.14 -0.16 0.00 2.02 -0.35 -1.58 117.35 116.62 1yha s TYR 34 Ca 0.22 -0.19 -0.08 0.00 -0.37 0.00 0.00 57.07 56.65 1yha s TYR 34 Cb 0.07 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1yha s TYR 34 CO 0.02 -0.08 0.13 0.08 -1.57 0.00 0.00 175.55 174.14 1yha s VAL 35 N 0.83 5.45 -0.55 0.71 1.01 0.16 -0.72 120.40 127.29 1yha s VAL 35 Ca 0.03 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1yha s VAL 35 Cb -0.14 -3.42 0.14 0.00 0.00 0.00 0.00 36.38 32.96 1yha s VAL 35 CO 0.02 0.54 0.40 -0.62 0.00 0.00 0.00 175.10 175.44 1yha s ASP 36 N -0.38 5.65 -0.17 3.32 2.15 -0.21 -1.85 116.67 125.18 1yha s ASP 36 Ca 0.12 -2.28 0.08 0.00 0.43 0.00 0.00 52.55 50.90 1yha s ASP 36 Cb -0.12 -1.97 0.52 0.00 -0.30 0.00 0.00 42.92 41.05 1yha s ASP 36 CO 0.01 -0.57 1.33 0.18 -0.17 0.00 0.00 175.17 175.96 1yha n LEU 37 N 4.36 4.20 0.00 -1.34 4.77 -1.26 -3.88 117.00 123.86 1yha n LEU 37 Ca -0.00 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 1yha n LEU 37 Cb 0.41 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1yha n LEU 37 CO 0.38 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1yha n GLY 38 N 0.29 2.13 7.00 -0.72 0.00 -1.26 -5.07 105.19 107.56 1yha n GLY 38 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1yha n GLY 38 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yha n ASN 39 N 8.61 0.00 -0.05 1.61 5.15 -1.26 -4.29 115.26 125.04 1yha n ASN 39 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1yha n ASN 39 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1yha n ASN 39 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1yha n GLU 40 N 2.37 2.07 -4.31 1.20 2.13 -1.26 -5.07 120.64 117.77 1yha n GLU 40 Ca 0.00 0.01 -0.25 0.00 0.66 0.00 0.00 57.16 57.58 1yha n GLU 40 Cb 0.00 -1.24 -0.09 0.00 0.27 0.00 0.00 31.44 30.38 1yha n GLU 40 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1yha s HIS 41 N -2.23 2.61 -0.19 4.31 3.76 -1.26 -5.09 115.29 117.21 1yha s HIS 41 Ca -0.07 -0.24 -0.38 0.00 -0.15 0.00 0.00 55.06 54.22 1yha s HIS 41 Cb 0.03 -1.22 -0.15 0.00 1.11 0.00 0.00 32.58 32.36 1yha s HIS 41 CO 0.37 0.58 1.73 -0.35 -0.85 0.00 0.00 174.74 176.21 1yha n PRO 42 N -0.39 1.40 -3.31 8.40 -0.04 -1.26 -4.90 135.00 134.89 1yha n PRO 42 Ca -0.08 0.51 -0.37 0.00 -0.04 0.00 0.00 63.50 63.52 1yha n PRO 42 Cb 0.57 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 1yha n PRO 42 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1yha s VAL 43 N 3.26 4.80 0.03 0.52 -7.23 -0.77 -4.90 120.40 116.11 1yha s VAL 43 Ca 0.95 1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 61.91 1yha s VAL 43 Cb -0.97 -3.82 -0.05 0.00 0.56 0.00 0.00 36.38 32.10 1yha s VAL 43 CO 0.60 0.42 0.78 -0.22 -0.31 0.00 0.00 175.10 176.36 1yha s LEU 44 N -1.48 4.43 0.03 1.32 2.96 -1.26 -0.67 118.68 124.01 1yha s LEU 44 Ca 0.33 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.69 1yha s LEU 44 Cb -0.17 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1yha s LEU 44 CO 0.19 -0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.44 1yha s VAL 45 N 0.12 0.45 -0.76 1.68 1.01 -0.62 -4.92 120.40 117.37 1yha s VAL 45 Ca 0.39 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1yha s VAL 45 Cb -0.20 -0.52 0.17 0.00 0.00 0.00 0.00 36.38 35.83 1yha s VAL 45 CO 0.23 -0.34 0.77 -0.75 0.00 0.00 0.00 175.10 175.00 1yha s LYS 46 N -1.39 3.41 -0.34 2.72 2.20 -1.26 -1.15 119.74 123.92 1yha s LYS 46 Ca -0.10 -2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 53.19 1yha s LYS 46 Cb -0.09 -4.46 -0.01 0.00 -1.51 0.00 0.00 37.83 31.76 1yha s LYS 46 CO 0.00 -1.42 1.57 0.42 -0.36 0.00 0.00 175.35 175.57 1yha s ILE 47 N 1.23 3.73 0.19 5.43 1.01 0.17 -4.80 121.20 128.16 1yha s ILE 47 Ca 0.17 0.77 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 1yha s ILE 47 Cb -0.15 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 1yha s ILE 47 CO -0.05 -0.54 1.24 -0.89 0.00 0.00 0.00 174.94 174.70 1yha s THR 48 N 5.83 3.46 -0.05 2.92 2.01 -1.26 -0.33 115.64 128.22 1yha s THR 48 Ca 0.69 1.21 0.03 0.00 0.31 0.00 0.00 61.69 63.93 1yha s THR 48 Cb -0.19 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1yha s THR 48 CO 0.32 0.19 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.55 1yha s LEU 49 N -0.16 2.86 1.00 4.42 1.43 0.15 -4.81 118.68 123.57 1yha s LEU 49 Ca 0.54 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1yha s LEU 49 Cb -0.34 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.41 1yha s LEU 49 CO 0.37 0.34 0.72 0.47 0.23 0.00 0.00 176.35 178.48 1yha n ASP 50 N 2.20 -1.19 -4.76 2.29 8.00 -1.26 -4.09 116.55 117.74 1yha n ASP 50 Ca -0.17 0.22 -0.38 0.00 0.71 0.00 0.00 54.79 55.17 1yha n ASP 50 Cb 0.52 -1.28 0.01 0.00 -0.02 0.00 0.00 41.12 40.35 1yha n ASP 50 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1yha s GLU 51 N -4.10 3.61 0.00 -1.24 2.56 -1.26 -2.73 118.70 115.54 1yha s GLU 51 Ca 0.62 2.07 0.00 0.00 0.00 0.00 0.00 54.97 57.66 1yha s GLU 51 Cb -0.21 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.45 1yha s GLU 51 CO 0.64 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 1yha n GLY 52 N 0.61 1.15 1.06 -1.50 0.00 -1.26 -4.97 105.19 100.28 1yha n GLY 52 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1yha n GLY 52 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1yha n GLN 53 N 0.00 0.00 -2.00 1.61 7.27 -1.11 -4.92 117.38 118.23 1yha n GLN 53 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1yha n GLN 53 Cb 0.00 -0.47 -0.02 0.00 2.41 0.00 0.00 30.24 32.16 1yha n GLN 53 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1yha s PRO 54 N 2.37 4.26 0.28 3.69 0.04 -1.26 -4.74 135.00 139.64 1yha s PRO 54 Ca 0.40 2.31 -0.28 0.00 0.04 0.00 0.00 61.00 63.47 1yha s PRO 54 Cb -0.43 -3.11 -0.14 0.00 0.04 0.00 0.00 34.50 30.86 1yha s PRO 54 CO 0.18 -0.43 0.92 0.00 0.04 0.00 0.00 177.00 177.72 1yha n ALA 55 N 2.33 -0.67 -1.31 8.56 0.00 -1.26 -4.92 120.51 123.23 1yha n ALA 55 Ca 0.07 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 1yha n ALA 55 Cb 0.40 -1.95 0.11 0.00 0.00 0.00 0.00 19.45 18.01 1yha n ALA 55 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1yha s TYR 56 N -1.05 2.55 0.17 0.00 2.02 -1.26 -4.89 117.35 114.89 1yha s TYR 56 Ca 0.59 1.34 -0.00 0.00 -0.37 0.00 0.00 57.07 58.64 1yha s TYR 56 Cb -0.74 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 37.69 1yha s TYR 56 CO 0.59 -2.01 0.34 0.00 -1.57 0.00 0.00 175.55 172.91 1yha s ALA 57 N -2.97 3.88 0.12 3.71 0.00 -1.26 -4.34 121.76 120.90 1yha s ALA 57 Ca 0.62 -0.87 -0.35 0.00 0.00 0.00 0.00 51.96 51.37 1yha s ALA 57 Cb -0.17 -1.93 -0.17 0.00 0.00 0.00 0.00 23.12 20.85 1yha s ALA 57 CO 0.56 0.51 1.13 -2.30 0.00 0.00 0.00 175.76 175.67 1yha n PRO 58 N -0.49 0.85 -2.25 0.00 -0.02 -1.26 -4.82 135.00 127.02 1yha n PRO 58 Ca -0.05 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1yha n PRO 58 Cb 0.53 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1yha n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yha n GLY 59 N 2.04 -0.84 3.72 -1.23 0.00 -0.27 -4.98 105.19 103.62 1yha n GLY 59 Ca 0.17 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1yha n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yha s LEU 60 N 0.00 4.39 0.16 0.99 2.01 -1.26 -1.10 118.68 123.87 1yha s LEU 60 Ca 0.00 1.91 -0.00 0.00 0.01 0.00 0.00 54.13 56.05 1yha s LEU 60 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 46.19 42.58 1yha s LEU 60 CO 0.00 -0.36 0.06 -0.31 1.01 0.00 0.00 176.35 176.75 1yha s TYR 61 N 0.85 1.03 0.01 0.29 1.51 0.10 -3.17 117.35 117.98 1yha s TYR 61 Ca 0.55 -1.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1yha s TYR 61 Cb -0.27 -0.57 -0.01 0.00 -0.11 0.00 0.00 41.96 41.01 1yha s TYR 61 CO 0.30 -0.48 -0.06 0.99 -1.11 0.00 0.00 175.55 175.19 1yha s THR 62 N -3.98 0.41 0.24 -0.71 2.01 -0.73 -0.49 115.64 112.40 1yha s THR 62 Ca 0.28 -0.55 -0.31 0.00 0.31 0.00 0.00 61.69 61.43 1yha s THR 62 Cb 0.07 -0.41 -0.11 0.00 0.01 0.00 0.00 72.50 72.06 1yha s THR 62 CO 0.05 -0.10 1.59 -0.69 -0.69 0.00 0.00 174.62 174.79 1yha s VAL 63 N -0.63 2.25 -0.07 3.82 1.01 -0.94 -0.78 120.40 125.07 1yha s VAL 63 Ca -0.03 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1yha s VAL 63 Cb -0.05 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1yha s VAL 63 CO -0.00 0.02 0.29 -2.28 0.00 0.00 0.00 175.10 173.14 1yha s HIS 64 N 0.47 3.65 0.37 5.22 2.46 0.83 -4.79 115.29 123.49 1yha s HIS 64 Ca 0.66 0.77 0.27 0.00 0.47 0.00 0.00 55.06 57.24 1yha s HIS 64 Cb -0.47 -2.17 1.49 0.00 -0.13 0.00 0.00 32.58 31.31 1yha s HIS 64 CO 0.41 0.63 1.81 -0.07 -2.47 0.00 0.00 174.74 175.05 1yha h LEU 65 N 5.07 0.00 0.00 8.88 3.38 -1.97 -1.92 115.31 128.76 1yha h LEU 65 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1yha h LEU 65 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1yha h LEU 65 CO 0.62 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.61 1yha n SER 66 N -2.62 0.00 0.07 -0.43 3.41 -1.26 -1.60 113.62 111.18 1yha n SER 66 Ca -0.02 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 1yha n SER 66 Cb 0.25 -0.18 0.27 0.00 -0.26 0.00 0.00 64.21 64.29 1yha n SER 66 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yha n SER 67 N -1.18 0.69 -4.43 4.04 7.64 -0.72 -4.73 113.62 114.92 1yha n SER 67 Ca 0.01 0.25 -0.38 0.00 1.01 0.00 0.00 58.87 59.76 1yha n SER 67 Cb 0.01 -0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 1yha n SER 67 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1yha s PHE 68 N -3.13 3.14 0.49 1.43 0.08 -0.63 0.12 117.98 119.49 1yha s PHE 68 Ca 0.08 -0.56 0.07 0.00 0.12 0.00 0.00 56.93 56.64 1yha s PHE 68 Cb 0.14 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1yha s PHE 68 CO 0.67 -0.43 0.39 -1.59 -0.10 0.00 0.00 175.22 174.16 1yha s LYS 69 N 1.60 2.34 -0.00 0.44 -2.85 0.75 -4.83 119.74 117.19 1yha s LYS 69 Ca 0.05 -1.82 -0.00 0.00 -1.00 0.00 0.00 55.97 53.20 1yha s LYS 69 Cb -0.16 -2.20 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 1yha s LYS 69 CO 0.05 -0.43 0.01 0.54 0.10 0.00 0.00 175.35 175.62 1yha s VAL 70 N -2.65 -0.01 0.00 1.79 0.11 -1.26 -1.61 120.40 116.78 1yha s VAL 70 Ca 0.41 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1yha s VAL 70 Cb -0.02 -0.02 0.00 0.00 -1.53 0.00 0.00 36.38 34.81 1yha s VAL 70 CO 0.24 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1yha n GLY 71 N 3.21 4.87 1.12 6.54 0.00 -0.19 -4.90 105.19 115.84 1yha n GLY 71 Ca -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1yha n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yha n GLN 72 N 0.00 0.00 -1.03 1.61 6.02 -1.26 -0.49 117.38 122.23 1yha n GLN 72 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1yha n GLN 72 Cb 0.00 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.35 1yha n GLN 72 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1yha n PHE 73 N 0.00 2.33 -2.59 1.08 -1.74 -1.26 -4.70 117.46 110.58 1yha n PHE 73 Ca 0.00 -2.11 -0.04 0.00 -0.56 0.00 0.00 57.45 54.74 1yha n PHE 73 Cb 0.00 -1.03 0.01 0.00 1.52 0.00 0.00 39.48 39.98 1yha n PHE 73 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1yha n GLY 74 N -0.44 0.58 3.57 4.97 0.00 0.36 -5.01 105.19 109.22 1yha n GLY 74 Ca 0.45 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1yha n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yha s SER 75 N -3.02 6.51 -0.01 1.61 1.04 -0.44 -4.84 113.70 114.55 1yha s SER 75 Ca 0.09 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 1yha s SER 75 Cb -0.04 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 1yha s SER 75 CO 0.11 -0.95 1.09 -0.22 0.98 0.00 0.00 173.24 174.25 1yha s LEU 76 N 3.52 4.33 0.07 2.42 2.96 -1.26 -1.02 118.68 129.70 1yha s LEU 76 Ca 0.35 1.76 0.03 0.00 -0.22 0.00 0.00 54.13 56.05 1yha s LEU 76 Cb -0.11 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1yha s LEU 76 CO 0.23 -0.42 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.72 1yha s MET 77 N 1.46 0.72 -0.13 1.98 -1.94 -0.63 -5.00 119.30 115.76 1yha s MET 77 Ca 0.54 -1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 53.21 1yha s MET 77 Cb -0.23 -0.40 -0.01 0.00 2.01 0.00 0.00 34.83 36.20 1yha s MET 77 CO 0.25 0.06 1.02 0.42 -0.01 0.00 0.00 175.02 176.76 1yha s ILE 78 N -2.16 4.75 0.00 2.53 1.01 -1.26 -0.17 121.20 125.89 1yha s ILE 78 Ca -0.00 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.68 1yha s ILE 78 Cb -0.05 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.12 1yha s ILE 78 CO -0.01 -0.03 0.00 -0.67 0.00 0.00 0.00 174.94 174.24 1yha n ASP 79 N 5.24 0.00 -4.93 3.58 2.03 0.32 -4.79 116.55 118.00 1yha n ASP 79 Ca 0.09 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 1yha n ASP 79 Cb 0.48 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.84 1yha n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1yha s ARG 80 N 0.00 3.46 -0.55 -0.67 1.81 -1.25 -5.04 118.95 116.70 1yha s ARG 80 Ca 0.00 -0.45 -0.24 0.00 -1.72 0.00 0.00 55.73 53.33 1yha s ARG 80 Cb 0.00 -2.99 0.04 0.00 -0.45 0.00 0.00 34.95 31.55 1yha s ARG 80 CO 0.00 0.56 0.93 -0.51 -0.68 0.00 0.00 175.30 175.60 1yha s LEU 81 N -2.78 4.15 -0.38 2.53 1.43 -1.26 -4.25 118.68 118.12 1yha s LEU 81 Ca 0.36 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 1yha s LEU 81 Cb -0.12 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1yha s LEU 81 CO 0.28 -1.23 0.26 -0.13 0.23 0.00 0.00 176.35 175.76 1yha s ARG 82 N 3.91 3.05 -0.00 1.70 3.00 -1.26 -4.93 118.95 124.41 1yha s ARG 82 Ca 0.29 -0.95 -0.19 0.00 0.00 0.00 0.00 55.73 54.88 1yha s ARG 82 Cb -0.13 -3.86 -0.06 0.00 0.00 0.00 0.00 34.95 30.91 1yha s ARG 82 CO 0.18 -0.66 0.54 -0.51 0.00 0.00 0.00 175.30 174.86 1yha s LEU 83 N 1.65 4.43 0.23 2.53 1.43 -1.26 -0.12 118.68 127.57 1yha s LEU 83 Ca 0.04 1.11 0.10 0.00 -1.03 0.00 0.00 54.13 54.35 1yha s LEU 83 Cb -0.19 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1yha s LEU 83 CO 0.09 0.16 -0.11 0.68 0.23 0.00 0.00 176.35 177.39 1yha s VAL 84 N -0.41 2.98 0.39 -1.59 -7.23 0.04 -4.85 120.40 109.74 1yha s VAL 84 Ca 0.29 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 1yha s VAL 84 Cb -0.18 -2.52 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 1yha s VAL 84 CO 0.16 -0.25 1.02 -2.65 -0.31 0.00 0.00 175.10 173.07 1yha n PRO 85 N -0.33 1.39 -2.42 4.82 -0.02 -1.26 -1.76 135.00 135.41 1yha n PRO 85 Ca -0.09 0.50 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 1yha n PRO 85 Cb 0.57 -2.02 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 1yha n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yha s ALA 86 N -1.23 3.42 0.00 3.55 0.00 -1.19 -4.62 121.76 121.68 1yha s ALA 86 Ca 0.62 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1yha s ALA 86 Cb -0.58 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1yha s ALA 86 CO 0.58 -0.27 0.00 0.36 0.00 0.00 0.00 175.76 176.43