#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni n SER 1 N 0.00 3.12 0.23 1.61 7.64 -1.26 -4.91 113.62 120.06 2pni n SER 1 Ca 0.00 1.21 0.14 0.00 1.01 0.00 0.00 58.87 61.23 2pni n SER 1 Cb 0.00 -1.53 0.38 0.00 -1.01 0.00 0.00 64.21 62.05 2pni n SER 1 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2pni h MET 1 N 2.91 0.00 -4.82 1.43 2.86 -2.08 -3.46 114.93 111.77 2pni h MET 1 Ca -0.47 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 56.77 2pni h MET 1 Cb 1.27 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.79 2pni h MET 1 CO 0.65 0.00 -0.54 0.45 1.06 0.00 0.00 176.91 178.52 2pni s SER 2 N -5.90 1.27 0.14 1.22 0.15 -1.26 -5.18 113.70 104.14 2pni s SER 2 Ca 0.05 -1.60 -0.24 0.00 0.70 0.00 0.00 55.95 54.86 2pni s SER 2 Cb 0.07 0.46 0.08 0.00 -1.71 0.00 0.00 66.02 64.92 2pni s SER 2 CO 0.61 -0.95 1.08 0.00 1.20 0.00 0.00 173.24 175.18 2pni s ALA 3 N -3.67 -1.75 -0.03 5.45 0.00 -1.26 -5.09 121.76 115.41 2pni s ALA 3 Ca 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 2pni s ALA 3 Cb 0.04 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.90 2pni s ALA 3 CO 0.20 -1.07 -0.02 1.49 0.00 0.00 0.00 175.76 176.36 2pni h GLU 4 N 2.00 0.00 -1.35 0.00 4.57 -1.90 -3.42 114.58 114.48 2pni h GLU 4 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2pni h GLU 4 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2pni h GLU 4 CO 0.34 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.58 2pni n GLY 5 N 1.82 0.00 3.28 1.92 0.00 -1.25 -0.99 105.19 109.97 2pni n GLY 5 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2pni n GLY 5 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pni s TYR 6 N -2.43 -0.26 0.22 1.61 1.13 -1.20 -1.99 117.35 114.43 2pni s TYR 6 Ca 0.00 0.42 0.02 0.00 -1.41 0.00 0.00 57.07 56.11 2pni s TYR 6 Cb 0.00 0.14 -0.05 0.00 -1.10 0.00 0.00 41.96 40.95 2pni s TYR 6 CO 0.00 -0.41 0.02 -0.65 -2.51 0.00 0.00 175.55 172.00 2pni s GLN 7 N -1.22 1.27 0.00 -3.49 -0.21 -1.03 -2.29 119.66 112.70 2pni s GLN 7 Ca -0.12 -1.64 0.00 0.00 0.02 0.00 0.00 55.36 53.61 2pni s GLN 7 Cb -0.04 -0.42 -0.00 0.00 1.00 0.00 0.00 33.01 33.54 2pni s GLN 7 CO 0.05 -0.15 -0.01 0.71 -2.12 0.00 0.00 175.29 173.77 2pni s TYR 8 N -3.57 0.05 -0.25 0.91 1.51 -0.82 -2.54 117.35 112.64 2pni s TYR 8 Ca 0.29 -0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.20 2pni s TYR 8 Cb 0.06 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.85 2pni s TYR 8 CO 0.08 -0.03 0.08 0.50 -1.11 0.00 0.00 175.55 175.07 2pni s ARG 9 N -0.21 3.69 -0.24 -0.62 3.52 -0.40 -1.32 118.95 123.38 2pni s ARG 9 Ca -0.02 -0.46 -0.35 0.00 -0.13 0.00 0.00 55.73 54.77 2pni s ARG 9 Cb -0.01 -3.34 -0.11 0.00 -1.56 0.00 0.00 34.95 29.92 2pni s ARG 9 CO -0.00 -0.16 2.02 0.00 -0.81 0.00 0.00 175.30 176.35 2pni n ALA 10 N 4.86 0.89 0.01 6.12 0.00 -1.02 -1.12 120.51 130.25 2pni n ALA 10 Ca -0.16 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 2pni n ALA 10 Cb 0.51 -2.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.44 2pni n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pni h LEU 11 N 10.81 -0.08 -9.54 0.00 7.12 -1.31 -3.41 115.31 118.90 2pni h LEU 11 Ca -0.39 0.00 -0.66 0.00 0.13 0.00 0.00 57.88 56.96 2pni h LEU 11 Cb 1.30 0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 41.35 2pni h LEU 11 CO 0.98 0.23 -0.56 -0.31 -0.13 0.00 0.00 178.44 178.65 2pni s TYR 12 N -1.74 3.35 -0.07 1.25 2.02 -0.86 -4.85 117.35 116.45 2pni s TYR 12 Ca -0.01 0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.68 2pni s TYR 12 Cb 0.00 -1.80 -0.06 0.00 -0.40 0.00 0.00 41.96 39.70 2pni s TYR 12 CO 0.04 0.58 1.75 0.34 -1.57 0.00 0.00 175.55 176.70 2pni s ASP 13 N -1.42 6.50 -0.07 2.29 2.15 -1.26 -4.73 116.67 120.13 2pni s ASP 13 Ca 0.20 2.22 0.02 0.00 0.43 0.00 0.00 52.55 55.41 2pni s ASP 13 Cb -0.12 -2.53 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2pni s ASP 13 CO 0.10 -1.07 -0.11 -0.47 -0.17 0.00 0.00 175.17 173.45 2pni s TYR 14 N 4.56 1.39 0.65 -5.34 5.04 -0.21 -4.98 117.35 118.46 2pni s TYR 14 Ca 0.78 -0.54 -0.03 0.00 -2.44 0.00 0.00 57.07 54.85 2pni s TYR 14 Cb -0.34 -1.06 0.06 0.00 0.35 0.00 0.00 41.96 40.98 2pni s TYR 14 CO 0.32 -0.31 0.92 0.15 -1.34 0.00 0.00 175.55 175.30 2pni s LYS 15 N 0.86 2.21 0.01 4.97 1.02 -1.26 -0.26 119.74 127.29 2pni s LYS 15 Ca -0.11 -0.62 -0.20 0.00 0.02 0.00 0.00 55.97 55.06 2pni s LYS 15 Cb -0.15 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.78 2pni s LYS 15 CO 0.01 -1.09 0.59 -1.59 -0.92 0.00 0.00 175.35 172.35 2pni s LYS 16 N -5.05 4.29 0.00 1.68 -2.85 -1.26 -4.78 119.74 111.77 2pni s LYS 16 Ca 0.60 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 56.30 2pni s LYS 16 Cb -0.10 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 2pni s LYS 16 CO 0.42 0.43 0.09 -1.91 0.10 0.00 0.00 175.35 174.49 2pni n GLU 17 N 2.48 3.93 -4.50 1.78 2.13 -1.26 -5.02 120.64 120.18 2pni n GLU 17 Ca -0.08 -0.09 -0.21 0.00 0.66 0.00 0.00 57.16 57.44 2pni n GLU 17 Cb 0.51 -0.50 -0.14 0.00 0.27 0.00 0.00 31.44 31.58 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pni s ARG 18 N -0.59 1.03 0.02 5.31 6.06 -1.26 -5.01 118.95 124.52 2pni s ARG 18 Ca 0.00 -0.63 0.01 0.00 -2.50 0.00 0.00 55.73 52.62 2pni s ARG 18 Cb 0.00 -1.02 0.08 0.00 0.06 0.00 0.00 34.95 34.07 2pni s ARG 18 CO 0.00 0.27 1.00 -0.85 -2.50 0.00 0.00 175.30 173.21 2pni n GLU 19 N 2.33 0.01 -0.00 5.12 0.28 -1.26 -1.37 120.64 125.74 2pni n GLU 19 Ca -0.16 0.46 -0.18 0.00 -0.16 0.00 0.00 57.16 57.12 2pni n GLU 19 Cb 0.55 -1.58 -0.14 0.00 1.43 0.00 0.00 31.44 31.70 2pni n GLU 19 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2pni n GLU 20 N -1.51 0.73 -3.18 3.44 4.71 -1.26 -4.93 120.64 118.65 2pni n GLU 20 Ca -0.00 0.27 -0.35 0.00 -0.01 0.00 0.00 57.16 57.06 2pni n GLU 20 Cb 0.05 -1.72 -0.06 0.00 -1.01 0.00 0.00 31.44 28.70 2pni n GLU 20 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2pni s ASP 21 N -6.79 6.95 0.60 1.62 -1.08 -0.47 -2.91 116.67 114.59 2pni s ASP 21 Ca -0.18 1.30 0.09 0.00 -0.52 0.00 0.00 52.55 53.24 2pni s ASP 21 Cb 0.07 -2.38 0.10 0.00 -1.46 0.00 0.00 42.92 39.25 2pni s ASP 21 CO 0.78 0.02 0.83 2.30 0.52 0.00 0.00 175.17 179.62 2pni n ILE 22 N 0.59 0.00 -2.73 4.11 -5.35 -1.25 -4.60 119.36 110.13 2pni n ILE 22 Ca -0.02 -1.96 -0.40 0.00 -0.27 0.00 0.00 62.75 60.10 2pni n ILE 22 Cb 0.52 -0.53 -0.06 0.00 -1.74 0.00 0.00 39.64 37.83 2pni n ILE 22 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2pni s ASP 23 N -4.70 7.60 -0.07 7.28 1.01 -1.26 -4.02 116.67 122.50 2pni s ASP 23 Ca 0.63 1.93 0.03 0.00 0.71 0.00 0.00 52.55 55.84 2pni s ASP 23 Cb -0.05 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2pni s ASP 23 CO 0.40 0.10 -0.15 -0.76 0.21 0.00 0.00 175.17 174.97 2pni s LEU 24 N -0.95 1.74 0.11 1.23 1.43 0.64 -4.98 118.68 117.90 2pni s LEU 24 Ca 0.42 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2pni s LEU 24 Cb -0.26 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 2pni s LEU 24 CO 0.32 0.06 0.11 -1.38 0.23 0.00 0.00 176.35 175.69 2pni s HIS 25 N 0.59 0.56 0.58 0.29 -3.43 -1.26 -1.05 115.29 111.58 2pni s HIS 25 Ca -0.15 -0.99 -0.19 0.00 -0.80 0.00 0.00 55.06 52.93 2pni s HIS 25 Cb -0.16 -0.30 -0.06 0.00 -1.43 0.00 0.00 32.58 30.63 2pni s HIS 25 CO 0.05 -0.54 0.89 1.28 -2.00 0.00 0.00 174.74 174.42 2pni n LEU 26 N -0.07 3.09 0.00 5.38 4.77 -1.26 -2.15 117.00 126.76 2pni n LEU 26 Ca -0.09 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2pni n LEU 26 Cb 0.63 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2pni n LEU 26 CO 0.27 -2.05 0.00 0.61 -1.33 0.00 0.00 177.39 174.89 2pni n GLY 27 N 1.37 2.68 3.65 -0.72 0.00 -1.26 -4.96 105.19 105.94 2pni n GLY 27 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2pni n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 28 N -2.56 6.47 0.05 1.61 1.11 -0.91 -4.99 116.67 117.45 2pni s ASP 28 Ca 0.00 2.08 0.00 0.00 0.18 0.00 0.00 52.55 54.81 2pni s ASP 28 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -1.11 0.16 -0.51 1.18 0.00 0.00 175.17 174.89 2pni s ILE 29 N 4.73 5.14 0.18 0.77 1.10 -1.26 -2.44 121.20 129.42 2pni s ILE 29 Ca 0.76 -0.44 0.10 0.00 -0.51 0.00 0.00 60.65 60.56 2pni s ILE 29 Cb -0.32 -3.47 -0.04 0.00 0.15 0.00 0.00 42.46 38.78 2pni s ILE 29 CO 0.31 0.18 -0.22 -0.76 -2.11 0.00 0.00 174.94 172.35 2pni s LEU 30 N -2.32 2.43 0.02 8.50 1.02 -0.43 -4.45 118.68 123.44 2pni s LEU 30 Ca 0.31 -0.86 0.01 0.00 0.02 0.00 0.00 54.13 53.62 2pni s LEU 30 Cb -0.13 -1.04 -0.01 0.00 0.02 0.00 0.00 46.19 45.03 2pni s LEU 30 CO 0.24 0.07 -0.05 -0.89 0.02 0.00 0.00 176.35 175.73 2pni s THR 31 N -1.77 0.35 0.00 5.49 2.01 -0.83 -1.94 115.64 118.94 2pni s THR 31 Ca 0.18 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2pni s THR 31 Cb -0.07 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2pni s THR 31 CO 0.08 -0.18 0.00 0.52 -0.69 0.00 0.00 174.62 174.36 2pni n VAL 32 N 2.23 0.00 -2.97 3.82 0.31 -0.97 -2.19 118.33 118.55 2pni n VAL 32 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2pni n VAL 32 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2pni n VAL 32 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2pni n ASN 33 N 0.00 0.36 0.02 4.52 3.02 -1.26 -4.69 115.26 117.23 2pni n ASN 33 Ca 0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 2pni n ASN 33 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2pni n ASN 33 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2pni n LYS 34 N -0.64 0.00 -0.62 3.52 2.85 -1.26 -3.63 118.16 118.38 2pni n LYS 34 Ca 0.00 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.32 2pni n LYS 34 Cb 0.00 -0.42 0.16 0.00 -0.65 0.00 0.00 35.03 34.11 2pni n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pni n GLY 35 N 2.88 4.22 2.36 2.58 0.00 -1.26 -4.25 105.19 111.72 2pni n GLY 35 Ca 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 2pni n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pni n SER 36 N -0.89 -0.27 0.00 1.61 2.88 -1.26 -4.88 113.62 110.81 2pni n SER 36 Ca 0.15 -3.19 0.02 0.00 -1.33 0.00 0.00 58.87 54.52 2pni n SER 36 Cb 0.75 0.19 0.07 0.00 -0.75 0.00 0.00 64.21 64.47 2pni n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pni n LEU 37 N 0.46 0.00 0.08 2.46 -0.00 -1.26 -2.14 117.00 116.60 2pni n LEU 37 Ca 0.19 0.33 0.08 0.00 -0.00 0.00 0.00 56.01 56.60 2pni n LEU 37 Cb 0.66 -0.33 0.36 0.00 -0.00 0.00 0.00 43.42 44.11 2pni n LEU 37 CO 0.15 -0.30 0.73 0.52 -0.00 0.00 0.00 177.39 178.50 2pni n VAL 38 N -1.33 1.24 0.05 1.47 0.31 -1.19 -1.72 118.33 117.16 2pni n VAL 38 Ca 0.01 0.47 0.20 0.00 -0.01 0.00 0.00 64.34 65.02 2pni n VAL 38 Cb 0.03 -1.41 0.58 0.00 -0.91 0.00 0.00 33.84 32.13 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni h ALA 39 N 2.15 2.26 0.00 3.52 0.00 -1.75 -1.48 119.26 123.96 2pni h ALA 39 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pni h ALA 39 Cb 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pni h ALA 39 CO 0.00 -1.00 -1.44 1.28 0.00 0.00 0.00 179.25 178.09 2pni n LEU 40 N -3.30 0.00 0.00 0.00 4.77 -0.70 -4.77 117.00 112.99 2pni n LEU 40 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2pni n LEU 40 Cb 0.92 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2pni n LEU 40 CO 0.21 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2pni n GLY 41 N 2.00 1.17 3.92 -0.72 0.00 -0.56 -4.98 105.19 106.01 2pni n GLY 41 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2pni n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pni s PHE 42 N -2.00 3.37 -0.21 1.61 0.40 -1.09 -4.92 117.98 115.14 2pni s PHE 42 Ca 0.00 0.59 0.16 0.00 -0.60 0.00 0.00 56.93 57.08 2pni s PHE 42 Cb 0.00 -2.44 0.38 0.00 0.51 0.00 0.00 43.02 41.47 2pni s PHE 42 CO 0.00 -0.48 1.26 0.45 0.70 0.00 0.00 175.22 177.15 2pni n SER 43 N -2.31 -0.02 0.00 1.36 2.88 -1.26 -3.16 113.62 111.11 2pni n SER 43 Ca 0.02 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 2pni n SER 43 Cb 0.57 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 2pni n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2pni n ASP 44 N -0.67 0.00 0.00 -3.46 2.03 -1.26 -5.13 116.55 108.06 2pni n ASP 44 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2pni n ASP 44 Cb 0.87 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2pni n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pni n GLY 45 N 0.00 -1.78 1.49 0.27 0.00 -1.26 -5.04 105.19 98.87 2pni n GLY 45 Ca 0.00 0.79 -0.00 0.00 0.00 0.00 0.00 46.02 46.81 2pni n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pni n GLN 46 N 0.00 0.19 0.00 1.61 10.64 -1.26 -4.89 117.38 123.67 2pni n GLN 46 Ca 0.00 -1.77 0.00 0.00 -1.83 0.00 0.00 57.00 53.40 2pni n GLN 46 Cb 0.00 0.05 0.00 0.00 -0.86 0.00 0.00 30.24 29.43 2pni n GLN 46 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2pni n GLU 47 N 0.17 0.89 -0.17 2.61 -0.58 -1.26 -2.62 120.64 119.69 2pni n GLU 47 Ca -0.06 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.79 2pni n GLU 47 Cb 0.97 -1.14 0.19 0.00 -0.57 0.00 0.00 31.44 30.89 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pni n ALA 48 N -0.33 2.40 -3.59 0.62 0.00 -1.26 -4.74 120.51 113.60 2pni n ALA 48 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 53.44 52.20 2pni n ALA 48 Cb 0.07 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 2pni n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pni n LYS 49 N 1.29 1.49 0.00 0.00 4.01 -1.08 -4.87 118.16 119.01 2pni n LYS 49 Ca 0.17 -4.08 0.03 0.00 -0.51 0.00 0.00 58.31 53.92 2pni n LYS 49 Cb 0.55 -2.01 0.18 0.00 -0.51 0.00 0.00 35.03 33.24 2pni n LYS 49 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2pni n PRO 50 N 1.82 0.13 -0.06 1.97 -0.04 -1.26 -3.34 135.00 134.23 2pni n PRO 50 Ca 0.25 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.71 2pni n PRO 50 Cb 0.42 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2pni h GLU 51 N 0.00 0.59 0.00 0.54 4.39 -1.91 -3.29 114.58 114.90 2pni h GLU 51 Ca 0.00 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.19 2pni h GLU 51 Cb 0.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2pni h GLU 51 CO 0.00 0.99 -1.30 1.05 -1.16 0.00 0.00 179.01 178.60 2pni h GLU 52 N 0.26 0.00 -6.88 2.33 4.11 -1.94 -3.47 114.58 109.01 2pni h GLU 52 Ca 0.01 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.95 2pni h GLU 52 Cb 0.97 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.23 2pni h GLU 52 CO 0.08 0.24 0.42 0.42 0.07 0.00 0.00 179.01 180.25 2pni s ILE 53 N -3.01 3.70 0.00 -1.06 1.01 -1.24 -5.02 121.20 115.59 2pni s ILE 53 Ca -0.02 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2pni s ILE 53 Cb 0.09 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.68 2pni s ILE 53 CO 0.80 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.55 2pni n GLY 54 N 0.79 0.87 3.65 6.18 0.00 -1.26 -4.44 105.19 110.98 2pni n GLY 54 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2pni n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pni s TRP 55 N 0.05 3.33 0.55 1.61 0.52 -1.26 -1.60 118.94 122.14 2pni s TRP 55 Ca 0.00 0.54 0.04 0.00 0.02 0.00 0.00 56.10 56.70 2pni s TRP 55 Cb 0.00 -2.54 0.05 0.00 -1.15 0.00 0.00 33.47 29.83 2pni s TRP 55 CO 0.00 -0.09 0.77 -0.51 0.02 0.00 0.00 176.95 177.14 2pni s LEU 56 N 1.58 3.29 -0.23 2.99 1.02 -0.40 -4.93 118.68 122.00 2pni s LEU 56 Ca 0.18 -0.30 -0.03 0.00 0.02 0.00 0.00 54.13 53.99 2pni s LEU 56 Cb -0.15 -2.47 0.10 0.00 0.02 0.00 0.00 46.19 43.69 2pni s LEU 56 CO 0.08 -1.21 0.23 0.20 0.02 0.00 0.00 176.35 175.67 2pni s ASN 57 N -4.50 1.59 0.25 2.29 0.02 -1.26 -2.36 114.94 110.96 2pni s ASN 57 Ca 0.59 -0.40 -0.03 0.00 -1.02 0.00 0.00 52.86 52.00 2pni s ASN 57 Cb -0.09 0.35 0.01 0.00 0.02 0.00 0.00 41.25 41.55 2pni s ASN 57 CO 0.38 -0.35 0.38 0.61 0.02 0.00 0.00 177.10 178.14 2pni n GLY 58 N 5.31 2.22 3.76 0.66 0.00 -0.97 -4.77 105.19 111.40 2pni n GLY 58 Ca -0.05 -1.48 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 2pni n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 59 N -3.66 3.09 -0.54 1.61 1.51 -0.93 -2.47 117.35 115.96 2pni s TYR 59 Ca 0.19 -0.02 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 2pni s TYR 59 Cb -0.01 -1.52 0.33 0.00 -0.11 0.00 0.00 41.96 40.66 2pni s TYR 59 CO 0.14 0.51 0.89 -1.71 -1.11 0.00 0.00 175.55 174.27 2pni n ASN 60 N -0.04 3.71 -0.42 2.29 2.85 0.33 -1.96 115.26 122.02 2pni n ASN 60 Ca -0.09 -3.53 0.35 0.00 -0.11 0.00 0.00 54.58 51.19 2pni n ASN 60 Cb 0.54 -0.58 0.62 0.00 1.24 0.00 0.00 39.78 41.60 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2pni h GLU 61 N 3.07 0.12 -0.30 1.20 5.08 -1.78 0.21 114.58 122.18 2pni h GLU 61 Ca 0.13 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2pni h GLU 61 Cb 0.60 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 2pni h GLU 61 CO 0.76 0.08 -0.32 1.79 -1.00 0.00 0.00 179.01 180.32 2pni h THR 62 N 0.12 0.26 -0.18 1.13 1.35 -1.92 -1.24 112.91 112.44 2pni h THR 62 Ca 0.79 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.65 2pni h THR 62 Cb 2.41 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2pni h THR 62 CO -0.43 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.19 2pni n THR 63 N -5.41 0.22 -1.40 6.82 -2.24 -0.26 -4.92 114.28 107.08 2pni n THR 63 Ca -0.01 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 2pni n THR 63 Cb 0.33 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pni n GLY 64 N 1.27 1.37 3.98 3.38 0.00 0.58 -4.98 105.19 110.79 2pni n GLY 64 Ca 0.17 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2pni n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pni s GLU 65 N -3.12 2.84 -0.03 1.61 0.41 -0.81 -4.87 118.70 114.72 2pni s GLU 65 Ca 0.00 -0.90 -0.16 0.00 -0.41 0.00 0.00 54.97 53.51 2pni s GLU 65 Cb 0.00 -2.65 0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2pni s GLU 65 CO 0.00 -0.35 0.34 -0.98 -0.49 0.00 0.00 175.26 173.78 2pni s ARG 66 N -4.49 0.66 0.00 1.61 1.70 -1.26 -0.51 118.95 116.66 2pni s ARG 66 Ca 0.52 -0.08 0.00 0.00 -0.47 0.00 0.00 55.73 55.70 2pni s ARG 66 Cb -0.10 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 2pni s ARG 66 CO 0.35 -0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 2pni n GLY 67 N 1.44 -0.51 3.78 3.88 0.00 -1.03 -4.75 105.19 108.00 2pni n GLY 67 Ca -0.20 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 2pni n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 68 N -4.00 5.21 -0.05 1.61 1.01 -1.15 -2.30 116.67 117.01 2pni s ASP 68 Ca 0.00 -0.40 -0.31 0.00 0.71 0.00 0.00 52.55 52.55 2pni s ASP 68 Cb 0.00 -1.18 0.07 0.00 1.01 0.00 0.00 42.92 42.82 2pni s ASP 68 CO 0.00 -0.08 0.68 0.72 0.21 0.00 0.00 175.17 176.69 2pni s PHE 69 N -2.22 -0.65 0.50 4.23 -0.71 -1.00 -3.83 117.98 114.31 2pni s PHE 69 Ca 0.34 1.12 -0.22 0.00 -1.04 0.00 0.00 56.93 57.13 2pni s PHE 69 Cb -0.07 0.41 -0.06 0.00 -1.21 0.00 0.00 43.02 42.08 2pni s PHE 69 CO 0.24 -0.61 1.27 -1.25 -1.34 0.00 0.00 175.22 173.54 2pni s PRO 70 N -1.18 3.45 0.00 1.99 0.05 -1.26 -1.28 135.00 136.76 2pni s PRO 70 Ca -0.11 2.04 0.15 0.00 0.05 0.00 0.00 61.00 63.13 2pni s PRO 70 Cb -0.00 -2.35 0.53 0.00 0.05 0.00 0.00 34.50 32.73 2pni s PRO 70 CO 0.10 -0.88 1.40 0.41 0.05 0.00 0.00 177.00 178.08 2pni n GLY 71 N 0.60 0.32 0.06 0.56 0.00 -0.63 -3.60 105.19 102.50 2pni n GLY 71 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.77 2pni n GLY 71 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pni n THR 72 N 0.32 0.64 1.02 2.61 5.66 -1.26 -4.35 114.28 118.92 2pni n THR 72 Ca 0.13 -0.64 0.12 0.00 -3.05 0.00 0.00 64.05 60.61 2pni n THR 72 Cb 0.28 -0.27 0.27 0.00 -1.55 0.00 0.00 70.33 69.06 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2pni n TYR 73 N -2.53 0.00 -4.59 1.09 4.01 -1.24 -4.89 117.16 109.02 2pni n TYR 73 Ca -0.14 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.34 2pni n TYR 73 Cb 0.79 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.52 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 2pni n VAL 74 N -1.44 0.00 -3.66 -0.72 0.24 -1.26 -0.94 118.33 110.55 2pni n VAL 74 Ca 0.06 -2.07 -0.11 0.00 -2.04 0.00 0.00 64.34 60.18 2pni n VAL 74 Cb 0.34 0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 33.10 2pni n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pni s GLU 75 N -3.52 0.24 0.01 7.34 2.56 -0.27 -4.67 118.70 120.39 2pni s GLU 75 Ca 0.05 0.89 -0.37 0.00 0.00 0.00 0.00 54.97 55.53 2pni s GLU 75 Cb 0.00 0.15 -0.16 0.00 2.00 0.00 0.00 34.13 36.12 2pni s GLU 75 CO 0.04 -0.26 1.46 0.98 -0.56 0.00 0.00 175.26 176.91 2pni n TYR 76 N 5.31 1.69 -0.06 5.30 9.36 -1.26 -1.27 117.16 136.23 2pni n TYR 76 Ca -0.08 0.58 -0.05 0.00 3.32 0.00 0.00 57.90 61.67 2pni n TYR 76 Cb 0.50 -2.38 -0.02 0.00 -0.63 0.00 0.00 39.34 36.81 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 2pni n ILE 77 N 3.08 1.10 -3.50 2.97 -5.35 -1.05 -4.88 119.36 111.74 2pni n ILE 77 Ca 0.20 0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.82 2pni n ILE 77 Cb 0.19 -2.17 -0.03 0.00 -1.74 0.00 0.00 39.64 35.88 2pni n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pni s GLY 78 N -4.09 -0.52 -0.19 3.28 0.00 -1.26 -5.03 107.32 99.52 2pni s GLY 78 Ca -0.16 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.01 2pni s GLY 78 CO 0.23 0.18 3.24 -0.96 0.00 0.00 0.00 173.10 175.79 2pni n ARG 79 N -0.08 2.14 -1.79 2.90 0.00 -1.26 -2.47 116.66 116.10 2pni n ARG 79 Ca -0.17 -1.54 -0.38 0.00 -0.00 0.00 0.00 57.85 55.76 2pni n ARG 79 Cb 0.63 -2.04 -0.03 0.00 -0.00 0.00 0.00 32.46 31.02 2pni n ARG 79 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2pni s LYS 80 N -0.15 2.45 0.12 2.89 1.02 -0.84 -4.59 119.74 120.63 2pni s LYS 80 Ca 0.62 1.11 -0.26 0.00 0.02 0.00 0.00 55.97 57.46 2pni s LYS 80 Cb 0.34 -4.47 -0.15 0.00 -0.52 0.00 0.00 37.83 33.03 2pni s LYS 80 CO -0.09 -2.91 0.56 0.36 -0.92 0.00 0.00 175.35 172.36 2pni n LYS 81 N 9.03 0.00 -3.12 1.68 2.85 -0.16 -3.23 118.16 125.22 2pni n LYS 81 Ca 0.29 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.15 2pni n LYS 81 Cb 0.53 -0.95 -0.05 0.00 -0.65 0.00 0.00 35.03 33.90 2pni n LYS 81 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2pni s ILE 82 N -0.59 5.05 0.49 0.58 2.07 -1.26 -4.84 121.20 122.70 2pni s ILE 82 Ca 0.60 1.25 -0.04 0.00 -1.41 0.00 0.00 60.65 61.05 2pni s ILE 82 Cb -0.85 -3.96 -0.02 0.00 0.13 0.00 0.00 42.46 37.76 2pni s ILE 82 CO 0.47 0.19 0.77 -0.44 -1.91 0.00 0.00 174.94 174.01 2pni s SER 83 N 0.97 5.99 0.00 4.50 0.01 -1.26 -4.95 113.70 118.97 2pni s SER 83 Ca 0.32 0.68 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2pni s SER 83 Cb -0.16 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2pni s SER 83 CO 0.13 -0.70 0.44 -0.81 0.41 0.00 0.00 173.24 172.71