#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2p s SER 2 N 0.00 4.71 -0.28 1.61 0.01 -1.26 -5.09 113.70 113.40 1x2p s SER 2 Ca 0.00 0.80 -0.09 0.00 1.31 0.00 0.00 55.95 57.97 1x2p s SER 2 Cb 0.00 -1.37 0.12 0.00 0.21 0.00 0.00 66.02 64.98 1x2p s SER 2 CO 0.00 -1.77 0.60 -0.94 0.41 0.00 0.00 173.24 171.55 1x2p s SER 3 N -4.53 -0.96 0.00 2.44 1.04 -1.26 -5.07 113.70 105.35 1x2p s SER 3 Ca 0.61 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.50 1x2p s SER 3 Cb -0.11 2.09 0.00 0.00 0.10 0.00 0.00 66.02 68.10 1x2p s SER 3 CO 0.49 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.10 1x2p n GLY 4 N 5.41 0.57 2.98 7.32 0.00 -1.26 -5.08 105.19 115.13 1x2p n GLY 4 Ca -0.12 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1x2p n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2p s SER 5 N 0.00 4.53 0.00 1.61 0.01 -1.26 -4.87 113.70 113.72 1x2p s SER 5 Ca 0.00 -2.61 0.00 0.00 1.31 0.00 0.00 55.95 54.65 1x2p s SER 5 Cb 0.00 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1x2p s SER 5 CO 0.00 -0.30 0.00 -1.20 0.41 0.00 0.00 173.24 172.15 1x2p n SER 6 N 3.64 0.00 0.00 2.44 7.64 -1.26 -5.18 113.62 120.90 1x2p n SER 6 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1x2p n SER 6 Cb 0.37 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1x2p n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2p n GLY 7 N 0.89 -0.52 3.10 0.23 0.00 -1.26 -4.95 105.19 102.69 1x2p n GLY 7 Ca 0.00 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1x2p n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x2p s GLU 8 N -1.47 2.64 -0.75 1.61 0.41 -1.24 -4.95 118.70 114.96 1x2p s GLU 8 Ca 0.00 -0.71 -0.24 0.00 -0.41 0.00 0.00 54.97 53.61 1x2p s GLU 8 Cb 0.00 -2.23 0.06 0.00 -1.78 0.00 0.00 34.13 30.18 1x2p s GLU 8 CO 0.00 -0.09 1.15 -1.21 -0.49 0.00 0.00 175.26 174.62 1x2p s GLU 9 N 1.04 3.24 0.23 1.61 2.02 -1.26 -1.60 118.70 123.97 1x2p s GLU 9 Ca -0.03 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1x2p s GLU 9 Cb -0.15 -4.39 -0.03 0.00 0.10 0.00 0.00 34.13 29.66 1x2p s GLU 9 CO -0.05 -1.98 0.37 -0.06 0.02 0.00 0.00 175.26 173.56 1x2p s PHE 10 N 4.69 3.47 -0.08 1.61 0.40 0.17 -4.87 117.98 123.37 1x2p s PHE 10 Ca 0.31 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1x2p s PHE 10 Cb -0.11 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1x2p s PHE 10 CO 0.08 0.41 -0.16 0.08 0.70 0.00 0.00 175.22 176.34 1x2p s VAL 11 N -1.95 2.89 -0.16 -0.44 1.01 -0.31 0.62 120.40 122.06 1x2p s VAL 11 Ca 0.35 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1x2p s VAL 11 Cb -0.10 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1x2p s VAL 11 CO 0.30 0.57 1.46 0.00 0.00 0.00 0.00 175.10 177.42 1x2p s ALA 12 N -0.27 3.54 -0.45 5.51 0.00 -1.19 -0.30 121.76 128.60 1x2p s ALA 12 Ca 0.01 0.57 0.25 0.00 0.00 0.00 0.00 51.96 52.79 1x2p s ALA 12 Cb -0.13 -3.72 1.00 0.00 0.00 0.00 0.00 23.12 20.26 1x2p s ALA 12 CO 0.03 -1.46 1.74 -0.84 0.00 0.00 0.00 175.76 175.22 1x2p h ILE 13 N 5.70 0.00 -2.68 0.00 3.07 0.17 -0.40 117.51 123.38 1x2p h ILE 13 Ca -0.32 -0.28 -0.04 0.00 1.55 0.00 0.00 64.86 65.77 1x2p h ILE 13 Cb 1.14 1.06 -0.15 0.00 -0.27 0.00 0.00 36.82 38.60 1x2p h ILE 13 CO 0.98 0.00 0.18 0.00 -1.05 0.00 0.00 178.15 178.26 1x2p s ALA 14 N -3.33 -1.61 0.34 0.16 0.00 -1.22 -4.92 121.76 111.18 1x2p s ALA 14 Ca 0.05 0.75 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 1x2p s ALA 14 Cb 0.09 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.68 1x2p s ALA 14 CO 0.43 -0.62 1.16 0.16 0.00 0.00 0.00 175.76 176.88 1x2p s ASP 15 N -2.19 6.90 0.35 0.00 1.47 -1.26 -3.99 116.67 117.95 1x2p s ASP 15 Ca -0.03 2.35 0.04 0.00 1.18 0.00 0.00 52.55 56.09 1x2p s ASP 15 Cb -0.01 -2.62 -0.05 0.00 -0.34 0.00 0.00 42.92 39.90 1x2p s ASP 15 CO -0.05 -0.41 0.08 -0.47 0.68 0.00 0.00 175.17 175.00 1x2p s TYR 16 N -1.28 1.89 0.00 2.11 5.04 -0.73 -4.91 117.35 119.48 1x2p s TYR 16 Ca 0.50 -1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.08 1x2p s TYR 16 Cb -0.32 -1.24 -0.01 0.00 0.35 0.00 0.00 41.96 40.74 1x2p s TYR 16 CO 0.41 -0.08 0.00 0.00 -1.34 0.00 0.00 175.55 174.55 1x2p s ALA 17 N -3.29 0.01 -0.40 3.97 0.00 -1.26 -3.88 121.76 116.91 1x2p s ALA 17 Ca 0.33 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 1x2p s ALA 17 Cb 0.07 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1x2p s ALA 17 CO 0.15 -0.07 0.70 0.00 0.00 0.00 0.00 175.76 176.54 1x2p s ALA 18 N -0.60 3.38 -0.89 0.00 0.00 -1.26 -4.86 121.76 117.54 1x2p s ALA 18 Ca -0.07 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.05 1x2p s ALA 18 Cb -0.04 -3.31 0.17 0.00 0.00 0.00 0.00 23.12 19.94 1x2p s ALA 18 CO -0.00 -1.62 1.03 0.25 0.00 0.00 0.00 175.76 175.42 1x2p n THR 19 N 5.83 0.59 -4.65 0.00 -2.24 -1.26 -5.01 114.28 107.55 1x2p n THR 19 Ca 0.00 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.69 1x2p n THR 19 Cb 0.48 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1x2p n THR 19 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x2p s ASP 20 N -0.89 3.51 0.17 3.42 1.11 -1.26 -5.04 116.67 117.68 1x2p s ASP 20 Ca 0.15 -1.69 0.23 0.00 0.18 0.00 0.00 52.55 51.43 1x2p s ASP 20 Cb 0.09 0.56 0.20 0.00 1.07 0.00 0.00 42.92 44.84 1x2p s ASP 20 CO 0.12 -0.92 1.22 -0.08 1.18 0.00 0.00 175.17 176.69 1x2p h GLU 21 N 1.54 0.00 -2.13 8.23 4.81 -2.04 -3.37 114.58 121.63 1x2p h GLU 21 Ca -0.39 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.27 1x2p h GLU 21 Cb 1.30 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.26 1x2p h GLU 21 CO 0.65 0.00 -0.74 0.25 -0.73 0.00 0.00 179.01 178.44 1x2p n THR 22 N -2.37 2.52 -3.91 0.32 -2.24 -1.26 -5.03 114.28 102.31 1x2p n THR 22 Ca 0.02 -5.32 -0.09 0.00 -2.27 0.00 0.00 64.05 56.38 1x2p n THR 22 Cb 0.49 -1.19 -0.09 0.00 -2.10 0.00 0.00 70.33 67.44 1x2p n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x2p s GLN 23 N -3.34 0.65 0.03 -0.78 -0.21 -1.26 -3.04 119.66 111.71 1x2p s GLN 23 Ca 0.47 -0.79 0.08 0.00 0.02 0.00 0.00 55.36 55.13 1x2p s GLN 23 Cb 0.31 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.55 1x2p s GLN 23 CO -0.13 -0.17 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.14 1x2p s LEU 24 N -2.29 2.42 -0.12 2.90 1.43 -1.05 -4.76 118.68 117.21 1x2p s LEU 24 Ca -0.03 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1x2p s LEU 24 Cb 0.00 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 1x2p s LEU 24 CO -0.06 0.27 -0.10 -0.94 0.23 0.00 0.00 176.35 175.75 1x2p s SER 25 N -1.20 4.25 0.31 2.29 1.04 -1.26 -4.50 113.70 114.63 1x2p s SER 25 Ca 0.13 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.33 1x2p s SER 25 Cb -0.10 -1.52 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 1x2p s SER 25 CO 0.03 0.21 0.35 0.72 0.98 0.00 0.00 173.24 175.53 1x2p s PHE 26 N 0.12 1.28 0.05 5.02 -0.12 -1.25 -4.99 117.98 118.09 1x2p s PHE 26 Ca -0.05 -1.40 0.09 0.00 -0.05 0.00 0.00 56.93 55.52 1x2p s PHE 26 Cb -0.14 -0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 1x2p s PHE 26 CO 0.04 -0.95 -0.25 -1.17 -0.05 0.00 0.00 175.22 172.83 1x2p s LEU 27 N -3.26 2.23 -0.45 -1.99 2.96 -1.26 -1.77 118.68 115.14 1x2p s LEU 27 Ca 0.35 -0.58 -0.42 0.00 -0.22 0.00 0.00 54.13 53.26 1x2p s LEU 27 Cb 0.02 -1.31 -0.17 0.00 0.50 0.00 0.00 46.19 45.23 1x2p s LEU 27 CO 0.21 0.25 2.11 -1.14 -1.32 0.00 0.00 176.35 176.47 1x2p n ARG 28 N 1.70 0.33 0.00 1.98 0.63 -1.26 0.76 116.66 120.80 1x2p n ARG 28 Ca -0.17 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1x2p n ARG 28 Cb 0.52 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.65 1x2p n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x2p n GLY 29 N 6.96 2.22 3.51 5.14 0.00 -0.16 -4.88 105.19 117.98 1x2p n GLY 29 Ca 0.49 -0.78 -0.55 0.00 0.00 0.00 0.00 46.02 45.18 1x2p n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x2p n GLU 30 N 0.00 0.31 -2.41 1.61 -0.58 0.23 -4.39 120.64 115.42 1x2p n GLU 30 Ca 0.00 0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.45 1x2p n GLU 30 Cb 0.00 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 1x2p n GLU 30 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x2p s LYS 31 N -0.16 3.08 -0.09 3.49 -0.14 -1.26 -3.16 119.74 121.50 1x2p s LYS 31 Ca 0.83 0.07 -0.15 0.00 -1.36 0.00 0.00 55.97 55.36 1x2p s LYS 31 Cb -1.11 -4.22 -0.05 0.00 -1.68 0.00 0.00 37.83 30.77 1x2p s LYS 31 CO 0.55 -2.25 0.38 0.42 -0.76 0.00 0.00 175.35 173.69 1x2p s ILE 32 N 6.55 5.19 -0.21 2.17 -1.09 0.20 -4.86 121.20 129.15 1x2p s ILE 32 Ca 0.45 0.74 -0.14 0.00 -2.23 0.00 0.00 60.65 59.48 1x2p s ILE 32 Cb -0.09 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1x2p s ILE 32 CO 0.18 0.45 0.31 -0.22 -1.23 0.00 0.00 174.94 174.43 1x2p s LEU 33 N -0.09 4.14 -0.73 2.97 1.98 -1.26 0.46 118.68 126.16 1x2p s LEU 33 Ca 0.21 0.37 -0.13 0.00 -2.89 0.00 0.00 54.13 51.69 1x2p s LEU 33 Cb -0.15 -2.36 0.19 0.00 0.66 0.00 0.00 46.19 44.53 1x2p s LEU 33 CO 0.09 -0.02 0.65 -0.63 -1.89 0.00 0.00 176.35 174.55 1x2p s ILE 34 N 1.20 5.23 0.01 6.68 -1.09 -0.63 -2.87 121.20 129.73 1x2p s ILE 34 Ca 0.15 -2.31 -0.14 0.00 -2.23 0.00 0.00 60.65 56.12 1x2p s ILE 34 Cb -0.14 -4.28 -0.08 0.00 -1.58 0.00 0.00 42.46 36.39 1x2p s ILE 34 CO 0.07 -0.97 0.94 -0.07 -1.23 0.00 0.00 174.94 173.68 1x2p h LEU 35 N 7.93 -0.42 -9.35 2.97 -0.00 -1.43 -3.28 115.31 111.73 1x2p h LEU 35 Ca -0.00 0.01 -0.52 0.00 -0.00 0.00 0.00 57.88 57.37 1x2p h LEU 35 Cb 1.04 0.11 -0.13 0.00 -0.00 0.00 0.00 40.66 41.67 1x2p h LEU 35 CO 0.81 -0.23 -0.55 -0.13 -0.00 0.00 0.00 178.44 178.33 1x2p s ARG 36 N -3.61 1.81 -0.41 1.13 0.52 -1.00 -4.93 118.95 112.46 1x2p s ARG 36 Ca -0.07 -2.07 0.06 0.00 -0.52 0.00 0.00 55.73 53.13 1x2p s ARG 36 Cb 0.01 -0.71 0.21 0.00 0.52 0.00 0.00 34.95 34.98 1x2p s ARG 36 CO 0.21 -0.36 0.49 1.04 0.02 0.00 0.00 175.30 176.70 1x2p n GLN 37 N -0.82 0.49 -0.31 3.54 6.02 -1.26 -0.04 117.38 125.00 1x2p n GLN 37 Ca -0.05 -3.00 0.21 0.00 -0.01 0.00 0.00 57.00 54.15 1x2p n GLN 37 Cb 0.66 -1.43 0.39 0.00 1.02 0.00 0.00 30.24 30.87 1x2p n GLN 37 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1x2p n THR 38 N 2.11 -0.39 -4.36 5.09 -1.04 -1.23 -4.54 114.28 109.92 1x2p n THR 38 Ca 0.23 1.96 -0.19 0.00 -2.04 0.00 0.00 64.05 64.01 1x2p n THR 38 Cb 0.52 -3.00 -0.09 0.00 -1.82 0.00 0.00 70.33 65.94 1x2p n THR 38 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x2p s THR 39 N -5.68 0.44 -2.06 12.58 -4.23 -0.87 -5.02 115.64 110.80 1x2p s THR 39 Ca -0.10 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.52 1x2p s THR 39 Cb 0.29 -2.53 0.30 0.00 1.34 0.00 0.00 72.50 71.90 1x2p s THR 39 CO 0.72 0.00 1.31 0.00 -0.54 0.00 0.00 174.62 176.11 1x2p n ALA 40 N -0.60 2.49 0.00 3.99 0.00 -1.26 -3.77 120.51 121.35 1x2p n ALA 40 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1x2p n ALA 40 Cb 0.65 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1x2p n ALA 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x2p n ASP 41 N 0.13 2.73 -4.41 0.00 9.92 -1.26 -4.78 116.55 118.87 1x2p n ASP 41 Ca 0.10 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.02 1x2p n ASP 41 Cb 0.22 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.56 1x2p n ASP 41 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1x2p s TRP 42 N -1.91 2.99 0.25 1.24 0.52 -1.25 0.13 118.94 120.91 1x2p s TRP 42 Ca 0.00 -0.58 0.10 0.00 0.02 0.00 0.00 56.10 55.64 1x2p s TRP 42 Cb 0.00 -2.04 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1x2p s TRP 42 CO 0.00 -0.28 -0.06 -1.58 0.02 0.00 0.00 176.95 175.05 1x2p s TRP 43 N 0.95 2.61 -0.24 -1.98 0.51 0.49 -2.04 118.94 119.23 1x2p s TRP 43 Ca 0.00 -0.24 -0.06 0.00 -2.12 0.00 0.00 56.10 53.68 1x2p s TRP 43 Cb -0.15 -1.18 -0.02 0.00 -0.81 0.00 0.00 33.47 31.32 1x2p s TRP 43 CO 0.01 0.61 0.03 -0.46 -0.51 0.00 0.00 176.95 176.64 1x2p s TRP 44 N -2.22 3.04 0.21 -1.98 -0.11 0.94 0.17 118.94 119.00 1x2p s TRP 44 Ca 0.30 -0.62 0.00 0.00 1.22 0.00 0.00 56.10 57.00 1x2p s TRP 44 Cb -0.07 -2.19 0.00 0.00 -1.50 0.00 0.00 33.47 29.72 1x2p s TRP 44 CO 0.18 -0.43 0.04 0.41 -4.62 0.00 0.00 176.95 172.52 1x2p n GLY 45 N 4.88 3.71 3.00 5.86 0.00 -0.31 -1.09 105.19 121.24 1x2p n GLY 45 Ca -0.17 -2.26 -0.14 0.00 0.00 0.00 0.00 46.02 43.45 1x2p n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x2p s GLU 46 N -2.79 0.14 0.29 1.61 2.12 -1.14 -2.95 118.70 115.99 1x2p s GLU 46 Ca 0.03 0.72 -0.00 0.00 0.36 0.00 0.00 54.97 56.08 1x2p s GLU 46 Cb -0.00 -0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.39 1x2p s GLU 46 CO 0.02 -0.28 0.40 0.54 -0.54 0.00 0.00 175.26 175.40 1x2p n ARG 47 N 5.28 0.28 -1.66 4.30 5.12 -0.21 -4.44 116.66 125.33 1x2p n ARG 47 Ca -0.07 -1.06 -0.39 0.00 -1.93 0.00 0.00 57.85 54.41 1x2p n ARG 47 Cb 0.50 -0.28 -0.03 0.00 -1.16 0.00 0.00 32.46 31.49 1x2p n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x2p s ALA 48 N -2.99 2.06 0.00 7.54 0.00 -1.26 -1.59 121.76 125.52 1x2p s ALA 48 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1x2p s ALA 48 Cb -0.01 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1x2p s ALA 48 CO 0.18 -3.85 0.00 0.41 0.00 0.00 0.00 175.76 172.50 1x2p n GLY 49 N 5.87 0.07 3.64 0.00 0.00 -1.26 -4.93 105.19 108.57 1x2p n GLY 49 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 1x2p n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2p n GLY 52 N 5.35 2.38 3.98 0.00 0.00 -1.15 -4.96 105.19 110.78 1x2p n GLY 52 Ca -0.05 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 1x2p n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x2p s TYR 53 N -3.47 2.21 0.01 1.61 2.02 -1.17 -1.16 117.35 117.40 1x2p s TYR 53 Ca 0.21 -0.07 -0.25 0.00 -0.37 0.00 0.00 57.07 56.59 1x2p s TYR 53 Cb -0.01 -2.97 0.06 0.00 -0.40 0.00 0.00 41.96 38.64 1x2p s TYR 53 CO 0.15 -1.40 0.57 0.96 -1.57 0.00 0.00 175.55 174.26 1x2p s ILE 54 N -3.04 0.02 0.66 2.71 -4.36 0.46 -2.53 121.20 115.11 1x2p s ILE 54 Ca 0.62 -0.15 -0.12 0.00 -0.26 0.00 0.00 60.65 60.74 1x2p s ILE 54 Cb -0.08 -0.94 -0.01 0.00 1.25 0.00 0.00 42.46 42.68 1x2p s ILE 54 CO 0.42 -0.09 1.06 -2.16 0.24 0.00 0.00 174.94 174.42 1x2p s PRO 55 N -1.85 3.10 -0.90 0.37 0.04 -1.26 0.18 135.00 134.68 1x2p s PRO 55 Ca -0.08 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 1x2p s PRO 55 Cb -0.01 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 32.75 1x2p s PRO 55 CO 0.03 -0.98 0.81 0.00 0.04 0.00 0.00 177.00 176.91 1x2p s ALA 56 N -2.85 4.24 0.00 8.56 0.00 0.35 -4.36 121.76 127.71 1x2p s ALA 56 Ca 0.60 -3.66 0.00 0.00 0.00 0.00 0.00 51.96 48.89 1x2p s ALA 56 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1x2p s ALA 56 CO 0.49 -2.18 0.00 -1.71 0.00 0.00 0.00 175.76 172.36 1x2p n ASN 57 N 2.89 0.00 0.22 0.00 2.85 -1.26 -4.82 115.26 115.15 1x2p n ASN 57 Ca 0.19 0.00 0.15 0.00 -0.11 0.00 0.00 54.58 54.81 1x2p n ASN 57 Cb 0.39 0.00 0.77 0.00 1.24 0.00 0.00 39.78 42.18 1x2p n ASN 57 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 1x2p h HIS 58 N 0.00 0.00 -3.88 1.20 3.86 -1.95 -3.42 115.15 110.96 1x2p h HIS 58 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 1x2p h HIS 58 Cb 0.00 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 28.26 1x2p h HIS 58 CO 0.00 0.00 -0.85 0.14 0.86 0.00 0.00 177.93 178.08 1x2p s VAL 59 N -3.69 2.47 0.00 2.45 -7.23 -1.26 0.19 120.40 113.32 1x2p s VAL 59 Ca -0.01 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1x2p s VAL 59 Cb 0.09 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.94 1x2p s VAL 59 CO 0.34 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.87 1x2p n GLY 60 N 0.97 0.63 3.11 2.32 0.00 0.59 -4.84 105.19 107.96 1x2p n GLY 60 Ca -0.17 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1x2p n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x2p n LYS 61 N 0.00 -0.14 -0.41 1.61 5.02 -1.26 -1.16 118.16 121.82 1x2p n LYS 61 Ca 0.00 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1x2p n LYS 61 Cb 0.00 -1.22 0.27 0.00 -0.02 0.00 0.00 35.03 34.06 1x2p n LYS 61 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1x2p n HIS 62 N -2.96 -2.06 -4.92 2.13 8.25 -1.26 -4.42 115.22 109.98 1x2p n HIS 62 Ca 0.00 -0.34 -0.31 0.00 -0.26 0.00 0.00 57.72 56.82 1x2p n HIS 62 Cb 0.58 -1.58 -0.14 0.00 1.12 0.00 0.00 29.99 29.97 1x2p n HIS 62 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x2p s SER 63 N -2.51 3.43 1.08 0.41 1.04 -1.26 -5.02 113.70 110.87 1x2p s SER 63 Ca 0.67 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 1x2p s SER 63 Cb -0.21 -0.46 0.18 0.00 0.10 0.00 0.00 66.02 65.62 1x2p s SER 63 CO 0.63 0.28 0.71 0.61 0.98 0.00 0.00 173.24 176.45 1x2p n GLY 64 N 1.92 -1.80 0.08 7.32 0.00 -1.26 -4.96 105.19 106.49 1x2p n GLY 64 Ca -0.17 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 1x2p n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2p h PRO 65 N -2.22 -0.04 -2.93 1.61 0.13 -2.07 -3.42 132.00 123.06 1x2p h PRO 65 Ca -0.53 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.02 1x2p h PRO 65 Cb 1.32 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.06 1x2p h PRO 65 CO 0.43 0.64 -0.79 0.45 -0.23 0.00 0.00 178.00 178.49 1x2p s SER 66 N -5.87 3.47 -0.15 1.44 0.15 -1.26 -4.99 113.70 106.50 1x2p s SER 66 Ca -0.16 -1.99 -0.11 0.00 0.70 0.00 0.00 55.95 54.40 1x2p s SER 66 Cb -0.01 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.62 1x2p s SER 66 CO 0.62 -0.35 -0.14 -0.24 1.20 0.00 0.00 173.24 174.33 1x2p n SER 67 N 4.35 1.82 0.00 5.45 2.88 -1.26 -5.30 113.62 121.55 1x2p n SER 67 Ca 0.05 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1x2p n SER 67 Cb 0.38 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 1x2p n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42