#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 6.09 -0.26 1.61 0.01 -1.26 -5.00 113.70 114.89 1x2p s SER 2 Ca 0.00 -1.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.00 1x2p s SER 2 Cb 0.00 -2.16 0.14 0.00 0.21 0.00 0.00 66.02 64.21 1x2p s SER 2 CO 0.00 -0.59 0.34 -0.55 0.41 0.00 0.00 173.24 172.85 1x2p s SER 3 N 2.35 0.78 0.00 2.44 0.15 -1.26 -5.02 113.70 113.14 1x2p s SER 3 Ca 0.04 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x2p s SER 3 Cb -0.23 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1x2p s SER 3 CO 0.07 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x2p n GLY 4 N 5.34 0.65 2.95 9.45 0.00 -1.26 -5.11 105.19 117.22 1x2p n GLY 4 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1x2p n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2p s SER 5 N 1.00 0.54 0.48 1.61 1.04 -1.26 -5.11 113.70 112.00 1x2p s SER 5 Ca 0.00 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1x2p s SER 5 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1x2p s SER 5 CO 0.00 -0.27 0.00 -0.24 0.98 0.00 0.00 173.24 173.71 1x2p n SER 6 N 5.35 -7.63 0.00 7.02 2.88 -1.26 -5.07 113.62 114.91 1x2p n SER 6 Ca -0.06 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1x2p n SER 6 Cb 0.50 -4.50 0.00 0.00 -0.75 0.00 0.00 64.21 59.45 1x2p n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2p n GLY 7 N -4.14 1.18 2.82 0.46 0.00 -1.26 -4.93 105.19 99.32 1x2p n GLY 7 Ca -0.05 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.12 0.99 -0.05 1.61 8.01 -0.42 -4.88 118.70 122.84 1x2p s GLU 8 Ca 0.00 -1.11 -0.30 0.00 0.01 0.00 0.00 54.97 53.57 1x2p s GLU 8 Cb 0.00 -2.31 -0.05 0.00 -4.31 0.00 0.00 34.13 27.46 1x2p s GLU 8 CO 0.00 -0.87 1.53 -1.21 0.01 0.00 0.00 175.26 174.72 1x2p s GLU 9 N 1.49 4.21 0.29 1.61 2.02 -1.26 0.64 118.70 127.70 1x2p s GLU 9 Ca 0.06 2.06 0.02 0.00 0.02 0.00 0.00 54.97 57.13 1x2p s GLU 9 Cb -0.18 -3.83 -0.05 0.00 0.10 0.00 0.00 34.13 30.18 1x2p s GLU 9 CO -0.17 -0.75 0.11 -0.06 0.02 0.00 0.00 175.26 174.40 1x2p s PHE 10 N 3.48 1.63 -0.03 1.61 0.40 0.76 -4.95 117.98 120.87 1x2p s PHE 10 Ca 0.68 -1.20 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1x2p s PHE 10 Cb -0.31 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.25 1x2p s PHE 10 CO 0.26 -0.33 -0.17 0.08 0.70 0.00 0.00 175.22 175.77 1x2p s VAL 11 N -3.62 1.36 0.05 -0.44 1.01 -0.44 -0.08 120.40 118.24 1x2p s VAL 11 Ca 0.36 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1x2p s VAL 11 Cb 0.07 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1x2p s VAL 11 CO 0.15 0.39 1.33 0.00 0.00 0.00 0.00 175.10 176.97 1x2p s ALA 12 N -0.17 3.53 -2.13 5.51 0.00 -1.15 -0.94 121.76 126.41 1x2p s ALA 12 Ca 0.01 0.93 0.23 0.00 0.00 0.00 0.00 51.96 53.13 1x2p s ALA 12 Cb -0.09 -3.53 1.18 0.00 0.00 0.00 0.00 23.12 20.68 1x2p s ALA 12 CO 0.01 -0.68 1.78 0.44 0.00 0.00 0.00 175.76 177.31 1x2p n ILE 13 N 4.24 0.05 -3.57 0.00 -5.35 0.46 -0.85 119.36 114.35 1x2p n ILE 13 Ca 0.11 -0.12 -0.05 0.00 -0.27 0.00 0.00 62.75 62.42 1x2p n ILE 13 Cb 0.44 -0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.25 1x2p n ILE 13 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x2p s ALA 14 N -1.95 -1.94 -0.45 -1.28 0.00 -1.24 -4.93 121.76 109.97 1x2p s ALA 14 Ca 0.34 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 53.17 1x2p s ALA 14 Cb 0.17 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1x2p s ALA 14 CO 0.27 -0.72 0.94 -0.51 0.00 0.00 0.00 175.76 175.75 1x2p s ASP 15 N -2.46 6.53 0.02 0.00 1.01 -1.26 -3.21 116.67 117.30 1x2p s ASP 15 Ca 0.08 0.19 0.01 0.00 0.71 0.00 0.00 52.55 53.54 1x2p s ASP 15 Cb -0.00 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1x2p s ASP 15 CO -0.06 -1.05 0.05 -0.47 0.21 0.00 0.00 175.17 173.85 1x2p s TYR 16 N 3.79 3.17 -0.29 4.23 5.04 -0.54 -4.91 117.35 127.84 1x2p s TYR 16 Ca 0.38 0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1x2p s TYR 16 Cb -0.10 -1.68 0.09 0.00 0.35 0.00 0.00 41.96 40.62 1x2p s TYR 16 CO 0.26 0.51 0.06 0.00 -1.34 0.00 0.00 175.55 175.04 1x2p s ALA 17 N -1.20 1.75 0.48 3.97 0.00 -1.26 -2.14 121.76 123.35 1x2p s ALA 17 Ca 0.23 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.32 1x2p s ALA 17 Cb -0.12 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 1x2p s ALA 17 CO 0.14 -1.54 0.98 0.00 0.00 0.00 0.00 175.76 175.35 1x2p n ALA 18 N 4.75 0.17 -0.09 0.00 0.00 -1.26 -4.93 120.51 119.16 1x2p n ALA 18 Ca -0.03 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1x2p n ALA 18 Cb 0.43 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.66 1x2p n ALA 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x2p n THR 19 N -0.86 1.55 -3.34 0.00 -1.04 -1.26 -4.97 114.28 104.36 1x2p n THR 19 Ca 0.10 -0.64 -0.13 0.00 -2.04 0.00 0.00 64.05 61.35 1x2p n THR 19 Cb 0.42 -1.36 0.02 0.00 -1.82 0.00 0.00 70.33 67.59 1x2p n THR 19 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x2p n ASP 20 N -3.24 1.58 -1.55 8.00 8.00 -1.26 -5.01 116.55 123.07 1x2p n ASP 20 Ca -0.40 -1.98 0.06 0.00 0.71 0.00 0.00 54.79 53.19 1x2p n ASP 20 Cb 1.03 -0.14 0.32 0.00 -0.02 0.00 0.00 41.12 42.30 1x2p n ASP 20 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1x2p n GLU 21 N -1.51 3.88 0.00 -1.24 0.28 -1.26 -3.80 120.64 116.99 1x2p n GLU 21 Ca 0.05 -2.50 0.07 0.00 -0.16 0.00 0.00 57.16 54.62 1x2p n GLU 21 Cb 0.35 -2.02 0.06 0.00 1.43 0.00 0.00 31.44 31.26 1x2p n GLU 21 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1x2p n THR 22 N 0.64 0.00 -4.22 3.84 -2.24 -1.26 -4.98 114.28 106.07 1x2p n THR 22 Ca 0.22 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 1x2p n THR 22 Cb 0.94 1.29 -0.11 0.00 -2.10 0.00 0.00 70.33 70.34 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 -1.20 0.95 0.17 -0.78 -0.21 -1.25 -1.77 119.66 115.58 1x2p s GLN 23 Ca 0.16 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.38 1x2p s GLN 23 Cb 0.12 -0.79 -0.03 0.00 1.00 0.00 0.00 33.01 33.30 1x2p s GLN 23 CO 0.18 0.15 0.27 -0.51 -2.12 0.00 0.00 175.29 173.26 1x2p s LEU 24 N -2.39 4.22 -0.08 2.90 1.43 -1.12 -4.74 118.68 118.89 1x2p s LEU 24 Ca 0.07 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1x2p s LEU 24 Cb -0.05 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1x2p s LEU 24 CO 0.02 0.03 -0.19 -0.94 0.23 0.00 0.00 176.35 175.51 1x2p s SER 25 N -3.34 3.58 0.28 2.29 1.04 -1.26 -4.05 113.70 112.23 1x2p s SER 25 Ca 0.34 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 1x2p s SER 25 Cb -0.10 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.83 1x2p s SER 25 CO 0.28 0.23 0.35 0.72 0.98 0.00 0.00 173.24 175.79 1x2p s PHE 26 N -0.05 1.01 0.06 5.02 -0.12 -0.91 -4.99 117.98 118.00 1x2p s PHE 26 Ca -0.05 -1.23 0.08 0.00 -0.05 0.00 0.00 56.93 55.69 1x2p s PHE 26 Cb -0.14 -0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.98 1x2p s PHE 26 CO 0.04 -0.92 -0.21 -1.17 -0.05 0.00 0.00 175.22 172.92 1x2p s LEU 27 N -3.18 2.50 -0.44 -1.99 2.96 -1.26 -1.46 118.68 115.80 1x2p s LEU 27 Ca 0.32 -0.50 -0.41 0.00 -0.22 0.00 0.00 54.13 53.32 1x2p s LEU 27 Cb 0.02 -1.45 -0.16 0.00 0.50 0.00 0.00 46.19 45.10 1x2p s LEU 27 CO 0.16 0.24 2.13 -1.14 -1.32 0.00 0.00 176.35 176.42 1x2p n ARG 28 N 1.47 0.38 0.00 1.98 0.63 -1.20 0.76 116.66 120.68 1x2p n ARG 28 Ca -0.16 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1x2p n ARG 28 Cb 0.52 -1.83 0.00 0.00 0.45 0.00 0.00 32.46 31.60 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 7.00 1.94 3.53 5.14 0.00 -0.03 -4.90 105.19 117.87 1x2p n GLY 29 Ca 0.49 -0.66 -0.54 0.00 0.00 0.00 0.00 46.02 45.31 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 0.56 -2.36 1.61 -0.58 0.23 -4.42 120.64 115.67 1x2p n GLU 30 Ca 0.00 0.20 -0.40 0.00 -0.42 0.00 0.00 57.16 56.54 1x2p n GLU 30 Cb 0.00 -1.70 -0.03 0.00 -0.57 0.00 0.00 31.44 29.14 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 0.00 3.03 -0.19 3.49 3.01 -1.26 -2.93 119.74 124.89 1x2p s LYS 31 Ca 0.84 0.15 -0.16 0.00 -1.01 0.00 0.00 55.97 55.79 1x2p s LYS 31 Cb -1.07 -4.24 -0.04 0.00 -1.01 0.00 0.00 37.83 31.47 1x2p s LYS 31 CO 0.53 -2.30 0.39 0.42 0.51 0.00 0.00 175.35 174.90 1x2p s ILE 32 N 6.85 5.21 -0.29 2.17 -1.09 0.89 -4.88 121.20 130.07 1x2p s ILE 32 Ca 0.48 0.71 -0.22 0.00 -2.23 0.00 0.00 60.65 59.39 1x2p s ILE 32 Cb -0.10 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1x2p s ILE 32 CO 0.18 0.28 0.72 -0.22 -1.23 0.00 0.00 174.94 174.67 1x2p s LEU 33 N 1.12 4.10 -1.13 2.97 1.98 -1.26 -0.17 118.68 126.29 1x2p s LEU 33 Ca 0.19 0.61 -0.13 0.00 -2.89 0.00 0.00 54.13 51.91 1x2p s LEU 33 Cb -0.14 -2.96 0.19 0.00 0.66 0.00 0.00 46.19 43.93 1x2p s LEU 33 CO 0.08 -0.53 1.29 -0.63 -1.89 0.00 0.00 176.35 174.67 1x2p s ILE 34 N 2.77 5.23 0.01 6.68 -1.09 0.21 -1.81 121.20 133.20 1x2p s ILE 34 Ca 0.29 -2.65 -0.03 0.00 -2.23 0.00 0.00 60.65 56.03 1x2p s ILE 34 Cb -0.15 -4.81 -0.01 0.00 -1.58 0.00 0.00 42.46 35.92 1x2p s ILE 34 CO 0.11 -1.48 1.04 -0.07 -1.23 0.00 0.00 174.94 173.31 1x2p h LEU 35 N 9.07 -0.13 -8.89 2.97 4.07 -1.37 -1.10 115.31 119.92 1x2p h LEU 35 Ca 0.26 0.02 -0.37 0.00 0.08 0.00 0.00 57.88 57.86 1x2p h LEU 35 Cb 0.90 0.05 -0.14 0.00 1.08 0.00 0.00 40.66 42.55 1x2p h LEU 35 CO 1.15 -0.04 -0.59 -0.60 -1.08 0.00 0.00 178.44 177.29 1x2p s ARG 36 N -3.21 1.47 -0.54 1.13 3.52 -0.83 -4.54 118.95 115.97 1x2p s ARG 36 Ca -0.01 -1.82 0.07 0.00 -0.13 0.00 0.00 55.73 53.84 1x2p s ARG 36 Cb 0.01 -0.10 0.24 0.00 -1.56 0.00 0.00 34.95 33.53 1x2p s ARG 36 CO 0.05 -0.39 0.61 1.04 -0.81 0.00 0.00 175.30 175.80 1x2p n GLN 37 N -0.50 1.63 -0.55 5.12 6.02 -1.26 0.22 117.38 128.06 1x2p n GLN 37 Ca 0.01 -4.01 0.44 0.00 -0.01 0.00 0.00 57.00 53.43 1x2p n GLN 37 Cb 0.65 -1.83 0.70 0.00 1.02 0.00 0.00 30.24 30.79 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 1.28 -0.12 -3.89 5.09 -1.04 -1.25 -4.55 114.28 109.80 1x2p n THR 38 Ca 0.26 1.53 -0.10 0.00 -2.04 0.00 0.00 64.05 63.70 1x2p n THR 38 Cb 0.46 -2.53 -0.02 0.00 -1.82 0.00 0.00 70.33 66.41 1x2p n THR 38 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x2p n THR 39 N -4.18 0.00 -0.09 12.58 -2.24 -1.04 -5.03 114.28 114.29 1x2p n THR 39 Ca 0.40 -1.17 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1x2p n THR 39 Cb 1.68 0.73 0.29 0.00 -2.10 0.00 0.00 70.33 70.92 1x2p n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x2p n ALA 40 N -1.47 2.40 -0.00 6.98 0.00 -1.26 -4.22 120.51 122.93 1x2p n ALA 40 Ca -0.09 -1.17 -0.01 0.00 0.00 0.00 0.00 53.44 52.18 1x2p n ALA 40 Cb 0.39 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.52 3.74 -4.20 0.00 8.00 -1.26 -4.83 116.55 119.52 1x2p n ASP 41 Ca 0.22 -0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.41 1x2p n ASP 41 Cb 0.59 -0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 41.51 1x2p n ASP 41 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1x2p s TRP 42 N -2.02 2.48 0.16 1.24 0.52 -1.26 -0.36 118.94 119.70 1x2p s TRP 42 Ca -0.01 -1.05 0.08 0.00 0.02 0.00 0.00 56.10 55.14 1x2p s TRP 42 Cb 0.00 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1x2p s TRP 42 CO 0.02 -0.44 -0.06 -1.58 0.02 0.00 0.00 176.95 174.92 1x2p s TRP 43 N 0.44 2.75 -0.47 -1.98 0.52 0.50 -2.50 118.94 118.19 1x2p s TRP 43 Ca -0.17 -0.17 -0.15 0.00 0.02 0.00 0.00 56.10 55.63 1x2p s TRP 43 Cb -0.17 -1.36 0.07 0.00 -1.15 0.00 0.00 33.47 30.86 1x2p s TRP 43 CO 0.07 0.50 0.40 -0.46 0.02 0.00 0.00 176.95 177.47 1x2p s TRP 44 N -1.60 3.24 0.44 -1.98 -0.11 0.13 0.17 118.94 119.23 1x2p s TRP 44 Ca 0.25 -0.93 0.08 0.00 1.22 0.00 0.00 56.10 56.72 1x2p s TRP 44 Cb -0.10 -3.17 0.01 0.00 -1.50 0.00 0.00 33.47 28.71 1x2p s TRP 44 CO 0.16 -0.80 0.53 0.20 -4.62 0.00 0.00 176.95 172.42 1x2p s GLY 45 N 2.61 2.00 -0.04 5.86 0.00 -0.48 -1.04 107.32 116.22 1x2p s GLY 45 Ca 0.04 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.98 1x2p s GLY 45 CO 0.07 -1.58 0.05 1.85 0.00 0.00 0.00 173.10 173.49 1x2p s GLU 46 N -4.31 -0.00 0.41 2.90 2.12 -0.75 -2.37 118.70 116.71 1x2p s GLU 46 Ca 0.53 0.34 -0.01 0.00 0.36 0.00 0.00 54.97 56.19 1x2p s GLU 46 Cb -0.07 -0.54 0.08 0.00 0.26 0.00 0.00 34.13 33.86 1x2p s GLU 46 CO 0.32 -0.32 0.57 0.54 -0.54 0.00 0.00 175.26 175.83 1x2p n ARG 47 N 5.21 0.12 -1.61 4.30 5.12 -0.20 -4.17 116.66 125.43 1x2p n ARG 47 Ca -0.05 -1.46 -0.39 0.00 -1.93 0.00 0.00 57.85 54.02 1x2p n ARG 47 Cb 0.50 -0.41 -0.03 0.00 -1.16 0.00 0.00 32.46 31.37 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 -3.09 2.07 0.00 7.54 0.00 -1.26 -1.36 121.76 125.66 1x2p s ALA 48 Ca 0.37 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1x2p s ALA 48 Cb -0.02 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1x2p s ALA 48 CO 0.25 -3.81 0.00 0.41 0.00 0.00 0.00 175.76 172.61 1x2p n GLY 49 N 5.89 0.09 3.63 0.00 0.00 -1.26 -4.93 105.19 108.60 1x2p n GLY 49 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1x2p n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2p s GLY 52 N 2.47 1.51 0.25 0.00 0.00 -1.00 -4.97 107.32 105.58 1x2p s GLY 52 Ca 0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1x2p s GLY 52 CO -0.13 -0.99 0.49 -0.19 0.00 0.00 0.00 173.10 172.28 1x2p s TYR 53 N -2.95 3.48 0.04 1.90 2.02 -0.73 -1.39 117.35 119.73 1x2p s TYR 53 Ca 0.30 0.55 0.02 0.00 -0.37 0.00 0.00 57.07 57.57 1x2p s TYR 53 Cb -0.01 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1x2p s TYR 53 CO 0.21 0.26 -0.06 0.96 -1.57 0.00 0.00 175.55 175.34 1x2p s ILE 54 N -1.98 0.45 0.86 2.71 -4.36 0.45 -2.81 121.20 116.52 1x2p s ILE 54 Ca 0.42 -1.14 -0.12 0.00 -0.26 0.00 0.00 60.65 59.55 1x2p s ILE 54 Cb -0.11 -0.65 0.11 0.00 1.25 0.00 0.00 42.46 43.06 1x2p s ILE 54 CO 0.29 -0.47 1.12 -2.16 0.24 0.00 0.00 174.94 173.96 1x2p s PRO 55 N -1.82 1.53 -0.74 0.37 0.04 -1.26 0.19 135.00 133.31 1x2p s PRO 55 Ca -0.09 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.37 1x2p s PRO 55 Cb -0.08 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.77 1x2p s PRO 55 CO -0.01 -1.96 0.57 0.00 0.04 0.00 0.00 177.00 175.65 1x2p s ALA 56 N -3.23 3.86 0.00 8.56 0.00 0.51 -4.45 121.76 127.01 1x2p s ALA 56 Ca 0.63 -3.54 0.00 0.00 0.00 0.00 0.00 51.96 49.04 1x2p s ALA 56 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1x2p s ALA 56 CO 0.54 -2.13 0.00 -1.71 0.00 0.00 0.00 175.76 172.46 1x2p n ASN 57 N 2.89 0.00 0.16 0.00 2.85 -1.26 -4.90 115.26 115.00 1x2p n ASN 57 Ca 0.14 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.63 1x2p n ASN 57 Cb 0.37 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.63 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 -2.13 1.20 3.86 -1.97 -3.45 115.15 112.67 1x2p h HIS 58 Ca 0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 1x2p h HIS 58 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 1x2p h HIS 58 CO 0.00 0.51 -0.51 0.14 0.86 0.00 0.00 177.93 178.93 1x2p s VAL 59 N -3.58 4.23 -0.06 2.45 -7.23 -1.26 0.17 120.40 115.13 1x2p s VAL 59 Ca -0.01 -1.41 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1x2p s VAL 59 Cb 0.12 -3.34 0.11 0.00 0.56 0.00 0.00 36.38 33.83 1x2p s VAL 59 CO 0.73 -0.32 1.35 -0.83 -0.31 0.00 0.00 175.10 175.72 1x2p s GLY 60 N -3.87 -0.29 -1.09 2.32 0.00 -0.12 -4.79 107.32 99.49 1x2p s GLY 60 Ca 0.34 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 1x2p s GLY 60 CO 0.25 3.84 1.12 0.54 0.00 0.00 0.00 173.10 178.85 1x2p s LYS 61 N -2.08 4.09 -0.03 2.90 -0.14 -1.26 -1.32 119.74 121.90 1x2p s LYS 61 Ca 0.24 -2.96 -0.15 0.00 -1.36 0.00 0.00 55.97 51.74 1x2p s LYS 61 Cb 0.03 -4.64 -0.05 0.00 -1.68 0.00 0.00 37.83 31.48 1x2p s LYS 61 CO -0.03 -1.36 0.40 -1.58 -0.76 0.00 0.00 175.35 172.01 1x2p s HIS 62 N -0.45 3.68 0.08 3.18 5.65 -1.26 -5.01 115.29 121.15 1x2p s HIS 62 Ca 0.31 0.93 -0.36 0.00 0.25 0.00 0.00 55.06 56.20 1x2p s HIS 62 Cb -0.09 -2.31 -0.15 0.00 -1.18 0.00 0.00 32.58 28.86 1x2p s HIS 62 CO -0.07 0.57 1.52 0.45 -0.65 0.00 0.00 174.74 176.56 1x2p n SER 63 N 2.15 2.46 -4.46 9.88 2.88 -1.26 -4.68 113.62 120.60 1x2p n SER 63 Ca -0.13 1.09 -0.44 0.00 -1.33 0.00 0.00 58.87 58.06 1x2p n SER 63 Cb 0.52 -1.30 -0.12 0.00 -0.75 0.00 0.00 64.21 62.56 1x2p n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2p n GLY 64 N 3.18 -0.28 3.57 0.46 0.00 -1.26 -4.76 105.19 106.10 1x2p n GLY 64 Ca 0.19 1.07 -0.35 0.00 0.00 0.00 0.00 46.02 46.93 1x2p n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2p s PRO 65 N 8.26 3.21 -0.50 1.61 0.04 -1.26 -4.90 135.00 141.45 1x2p s PRO 65 Ca 1.27 -1.34 -0.39 0.00 0.04 0.00 0.00 61.00 60.58 1x2p s PRO 65 Cb -1.13 -5.34 -0.16 0.00 0.04 0.00 0.00 34.50 27.91 1x2p s PRO 65 CO 0.49 -3.01 2.23 -1.13 0.04 0.00 0.00 177.00 175.62 1x2p n SER 66 N 11.34 1.26 0.32 6.66 3.41 -1.26 -4.81 113.62 130.54 1x2p n SER 66 Ca 0.44 0.48 -0.16 0.00 -0.26 0.00 0.00 58.87 59.36 1x2p n SER 66 Cb 0.47 -1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 63.28 1x2p n SER 66 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1x2p h SER 67 N 10.99 -0.66 0.00 4.04 0.87 -2.02 -3.57 113.55 123.20 1x2p h SER 67 Ca -0.16 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1x2p h SER 67 Cb 1.37 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1x2p h SER 67 CO 1.10 -0.41 0.00 0.61 -0.53 0.00 0.00 176.83 177.61