#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s n SER 2 N 0.00 -4.53 -3.50 1.61 2.88 -1.26 -4.99 113.62 103.82 2e5s n SER 2 Ca 0.00 -0.41 -0.29 0.00 -1.33 0.00 0.00 58.87 56.85 2e5s n SER 2 Cb 0.00 -3.83 0.27 0.00 -0.75 0.00 0.00 64.21 59.90 2e5s n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e5s n SER 3 N -1.97 -3.64 0.00 -3.46 3.41 -1.26 -4.93 113.62 101.77 2e5s n SER 3 Ca -0.04 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 2e5s n SER 3 Cb 0.56 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2e5s n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5s n GLY 4 N 1.85 0.94 3.47 5.00 0.00 -1.26 -5.05 105.19 110.14 2e5s n GLY 4 Ca 0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 2e5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5s s SER 5 N 0.00 -0.96 0.21 1.61 0.15 -1.26 -5.05 113.70 108.40 2e5s s SER 5 Ca 0.00 1.30 -0.15 0.00 0.70 0.00 0.00 55.95 57.80 2e5s s SER 5 Cb 0.00 2.06 0.22 0.00 -1.71 0.00 0.00 66.02 66.58 2e5s s SER 5 CO 0.00 -0.23 1.61 0.28 1.20 0.00 0.00 173.24 176.10 2e5s h SER 6 N 8.04 -0.79 0.00 5.45 0.02 -2.01 -3.48 113.55 120.79 2e5s h SER 6 Ca -0.18 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2e5s h SER 6 Cb 1.11 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2e5s h SER 6 CO 0.14 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.19 2e5s n GLY 7 N -1.45 -0.28 2.94 -3.77 0.00 -1.26 -5.09 105.19 96.29 2e5s n GLY 7 Ca 0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2e5s n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5s s SER 8 N -4.00 0.44 -1.04 1.61 0.01 -1.26 -5.09 113.70 104.37 2e5s s SER 8 Ca 0.00 0.30 -0.09 0.00 1.31 0.00 0.00 55.95 57.47 2e5s s SER 8 Cb 0.00 0.91 0.26 0.00 0.21 0.00 0.00 66.02 67.40 2e5s s SER 8 CO 0.00 -0.29 1.02 -0.89 0.41 0.00 0.00 173.24 173.49 2e5s s THR 9 N 2.48 5.77 0.18 1.44 2.01 -1.26 -5.04 115.64 121.23 2e5s s THR 9 Ca 0.07 -3.31 -0.01 0.00 0.31 0.00 0.00 61.69 58.76 2e5s s THR 9 Cb -0.14 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 2e5s s THR 9 CO -0.13 -1.15 0.37 0.00 -0.69 0.00 0.00 174.62 173.02 2e5s s ALA 10 N -1.03 3.84 0.16 7.40 0.00 -1.26 -5.02 121.76 125.85 2e5s s ALA 10 Ca 0.28 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 2e5s s ALA 10 Cb -0.10 -1.99 -0.17 0.00 0.00 0.00 0.00 23.12 20.85 2e5s s ALA 10 CO -0.08 0.49 0.62 -2.37 0.00 0.00 0.00 175.76 174.42 2e5s n THR 11 N -0.52 1.59 -3.77 0.00 5.66 -1.26 -4.92 114.28 111.06 2e5s n THR 11 Ca -0.05 -0.40 -0.37 0.00 -3.05 0.00 0.00 64.05 60.19 2e5s n THR 11 Cb 0.53 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.19 2e5s n THR 11 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2e5s s GLN 12 N -0.79 2.97 0.12 1.09 -0.21 -1.26 -5.08 119.66 116.50 2e5s s GLN 12 Ca 0.69 -0.94 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 2e5s s GLN 12 Cb -0.99 -3.36 -0.06 0.00 1.00 0.00 0.00 33.01 29.59 2e5s s GLN 12 CO 0.56 -0.49 1.10 0.15 -2.12 0.00 0.00 175.29 174.49 2e5s s LYS 13 N 1.47 4.56 -0.48 2.91 1.02 -1.26 -5.01 119.74 122.95 2e5s s LYS 13 Ca 0.01 1.67 -0.15 0.00 0.02 0.00 0.00 55.97 57.52 2e5s s LYS 13 Cb -0.18 -3.33 0.08 0.00 -0.52 0.00 0.00 37.83 33.89 2e5s s LYS 13 CO 0.02 -0.01 0.40 -0.51 -0.92 0.00 0.00 175.35 174.34 2e5s s LEU 14 N 0.18 5.67 0.00 3.17 1.43 -1.26 -5.07 118.68 122.81 2e5s s LEU 14 Ca 0.52 -1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2e5s s LEU 14 Cb -0.28 -2.18 0.10 0.00 0.03 0.00 0.00 46.19 43.86 2e5s s LEU 14 CO 0.32 -0.67 0.64 0.18 0.23 0.00 0.00 176.35 177.06 2e5s n LEU 15 N 5.20 0.00 -4.63 1.79 7.99 -1.26 -5.00 117.00 121.09 2e5s n LEU 15 Ca -0.13 -1.19 -0.43 0.00 -0.01 0.00 0.00 56.01 54.26 2e5s n LEU 15 Cb 0.43 -0.43 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 2e5s n LEU 15 CO 0.48 -0.85 1.39 -0.13 -1.51 0.00 0.00 177.39 176.77 2e5s s ARG 16 N -4.16 3.79 -0.58 3.23 1.81 -1.26 -3.62 118.95 118.16 2e5s s ARG 16 Ca 0.41 1.71 -0.07 0.00 -1.72 0.00 0.00 55.73 56.05 2e5s s ARG 16 Cb -0.02 -4.05 0.07 0.00 -0.45 0.00 0.00 34.95 30.51 2e5s s ARG 16 CO 0.27 -1.30 0.19 -2.37 -0.68 0.00 0.00 175.30 171.41 2e5s n THR 17 N 6.40 0.00 -0.59 0.02 5.66 -1.26 -4.65 114.28 119.86 2e5s n THR 17 Ca 0.19 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.17 2e5s n THR 17 Cb 0.45 -0.15 -0.04 0.00 -1.55 0.00 0.00 70.33 69.04 2e5s n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2e5s n ASP 18 N -0.93 5.20 -3.89 1.09 5.75 -1.24 -4.76 116.55 117.77 2e5s n ASP 18 Ca 0.04 -2.39 -0.17 0.00 -0.01 0.00 0.00 54.79 52.25 2e5s n ASP 18 Cb 0.26 -1.16 -0.16 0.00 -1.03 0.00 0.00 41.12 39.03 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2e5s s LYS 19 N 0.27 0.50 -0.14 0.11 0.00 -1.26 0.17 119.74 119.38 2e5s s LYS 19 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 55.97 56.05 2e5s s LYS 19 Cb 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 37.83 37.35 2e5s s LYS 19 CO 0.00 -0.02 -0.18 -0.51 0.00 0.00 0.00 175.35 174.64 2e5s s LEU 20 N 0.54 2.34 0.43 2.77 1.43 0.18 -4.93 118.68 121.44 2e5s s LEU 20 Ca -0.06 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.27 2e5s s LEU 20 Cb -0.09 -1.52 -0.08 0.00 0.03 0.00 0.00 46.19 44.52 2e5s s LEU 20 CO -0.00 0.09 1.37 -1.61 0.23 0.00 0.00 176.35 176.43 2e5s s GLU 21 N 0.76 3.82 -0.30 1.70 0.41 -1.26 -1.29 118.70 122.55 2e5s s GLU 21 Ca -0.07 2.30 -0.12 0.00 -0.41 0.00 0.00 54.97 56.67 2e5s s GLU 21 Cb -0.16 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 2e5s s GLU 21 CO 0.00 -0.66 0.21 0.08 -0.49 0.00 0.00 175.26 174.40 2e5s s VAL 22 N -1.23 5.30 0.50 2.63 1.01 -1.05 -0.33 120.40 127.23 2e5s s VAL 22 Ca 0.59 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 2e5s s VAL 22 Cb -0.41 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2e5s s VAL 22 CO 0.53 0.18 0.85 0.00 0.00 0.00 0.00 175.10 176.66 2e5s n ARG 24 N -0.19 0.68 0.23 0.00 3.00 -1.26 -4.22 116.66 114.90 2e5s n ARG 24 Ca 0.11 0.24 -0.11 0.00 -0.01 0.00 0.00 57.85 58.08 2e5s n ARG 24 Cb 0.43 -1.71 -0.06 0.00 0.00 0.00 0.00 32.46 31.12 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2e5s h GLU 25 N 0.02 -0.61 -0.85 5.56 4.39 -1.95 -3.26 114.58 117.88 2e5s h GLU 25 Ca -0.38 0.04 0.22 0.00 0.34 0.00 0.00 59.36 59.58 2e5s h GLU 25 Cb 2.04 0.14 -0.16 0.00 -0.10 0.00 0.00 28.75 30.67 2e5s h GLU 25 CO 0.06 -0.36 -0.04 0.34 -1.16 0.00 0.00 179.01 177.86 2e5s n PHE 26 N -5.20 0.48 -0.23 4.33 7.35 -1.26 0.12 117.46 123.04 2e5s n PHE 26 Ca -0.09 1.03 0.03 0.00 -0.76 0.00 0.00 57.45 57.66 2e5s n PHE 26 Cb 0.28 -1.10 0.13 0.00 0.35 0.00 0.00 39.48 39.13 2e5s n PHE 26 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2e5s h GLN 27 N 0.00 0.10 -0.85 -4.13 4.20 -1.73 0.46 115.11 113.16 2e5s h GLN 27 Ca 0.49 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.95 2e5s h GLN 27 Cb 0.96 -0.02 -0.15 0.00 0.30 0.00 0.00 27.48 28.57 2e5s h GLN 27 CO -0.82 0.07 0.31 2.89 -0.67 0.00 0.00 178.83 180.60 2e5s n ARG 28 N -5.32 2.98 -3.91 1.46 1.85 0.32 -4.91 116.66 109.13 2e5s n ARG 28 Ca 0.11 -2.53 -0.26 0.00 -1.00 0.00 0.00 57.85 54.17 2e5s n ARG 28 Cb 0.42 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 2e5s n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2e5s n GLY 29 N -0.27 -0.31 0.05 2.89 0.00 0.16 -4.87 105.19 102.85 2e5s n GLY 29 Ca 0.38 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 2e5s n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e5s n ASN 30 N -2.94 2.97 -4.64 1.61 4.13 -0.69 -4.95 115.26 110.76 2e5s n ASN 30 Ca -0.21 -0.04 -0.40 0.00 1.68 0.00 0.00 54.58 55.61 2e5s n ASN 30 Cb 0.64 0.16 0.02 0.00 -1.54 0.00 0.00 39.78 39.06 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2e5s n ALA 32 N -0.71 1.87 0.25 0.00 0.00 -1.26 -4.58 120.51 116.08 2e5s n ALA 32 Ca 0.10 -0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.24 2e5s n ALA 32 Cb 0.41 0.11 0.65 0.00 0.00 0.00 0.00 19.45 20.62 2e5s n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ARG 33 N 0.00 0.00 0.00 0.00 3.08 -1.91 -3.48 114.38 112.06 2e5s h ARG 33 Ca -0.15 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.09 2e5s h ARG 33 Cb 1.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 2e5s h ARG 33 CO 0.01 0.09 -0.25 0.41 -1.07 0.00 0.00 179.97 179.16 2e5s n GLY 34 N -1.16 -1.82 0.02 0.04 0.00 -1.26 -0.34 105.19 100.66 2e5s n GLY 34 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2e5s n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2e5s n GLU 35 N -2.67 0.93 -0.03 1.61 2.13 -1.26 -0.28 120.64 121.07 2e5s n GLU 35 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 2e5s n GLU 35 Cb 0.32 -1.02 -0.05 0.00 0.27 0.00 0.00 31.44 30.96 2e5s n GLU 35 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2e5s n THR 36 N -0.48 0.45 0.38 6.31 -2.24 -1.24 -4.69 114.28 112.76 2e5s n THR 36 Ca 0.00 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 2e5s n THR 36 Cb 0.01 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.35 2e5s n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2e5s n ASP 37 N -2.38 1.02 -4.86 3.42 2.03 0.54 -4.98 116.55 111.33 2e5s n ASP 37 Ca -0.12 -0.56 -0.37 0.00 0.52 0.00 0.00 54.79 54.26 2e5s n ASP 37 Cb 0.69 1.14 -0.06 0.00 -0.72 0.00 0.00 41.12 42.17 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s h ARG 39 N 4.95 0.58 -6.68 0.00 3.08 -1.94 -3.44 114.38 110.94 2e5s h ARG 39 Ca -0.54 -0.89 -0.53 0.00 0.07 0.00 0.00 59.98 58.10 2e5s h ARG 39 Cb 1.22 0.31 0.05 0.00 0.08 0.00 0.00 29.97 31.64 2e5s h ARG 39 CO 0.60 1.42 0.86 -0.06 -1.07 0.00 0.00 179.97 181.71 2e5s s PHE 40 N -2.77 2.99 0.18 3.04 0.08 -1.26 -4.93 117.98 115.31 2e5s s PHE 40 Ca -0.09 0.73 -0.32 0.00 0.12 0.00 0.00 56.93 57.37 2e5s s PHE 40 Cb 0.05 -3.94 -0.10 0.00 -0.57 0.00 0.00 43.02 38.45 2e5s s PHE 40 CO 0.94 -3.33 1.59 0.00 -0.10 0.00 0.00 175.22 174.32 2e5s s ALA 41 N 0.67 3.80 -0.53 5.36 0.00 0.55 -4.54 121.76 127.08 2e5s s ALA 41 Ca 0.67 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 53.88 2e5s s ALA 41 Cb -0.44 -3.63 0.12 0.00 0.00 0.00 0.00 23.12 19.17 2e5s s ALA 41 CO 0.37 -0.81 0.48 -1.01 0.00 0.00 0.00 175.76 174.79 2e5s s HIS 42 N 1.09 3.26 -0.77 0.00 3.76 -1.26 -2.94 115.29 118.43 2e5s s HIS 42 Ca 0.70 -1.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.06 2e5s s HIS 42 Cb -0.45 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.48 2e5s s HIS 42 CO 0.32 -1.00 1.91 -1.25 -0.85 0.00 0.00 174.74 173.87 2e5s s PRO 43 N 1.59 2.58 -0.18 8.40 0.04 -1.26 -4.76 135.00 141.41 2e5s s PRO 43 Ca 0.03 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.12 2e5s s PRO 43 Cb -0.29 -4.77 -0.22 0.00 0.04 0.00 0.00 34.50 29.26 2e5s s PRO 43 CO 0.03 -3.10 0.14 0.00 0.04 0.00 0.00 177.00 174.11 2e5s n ALA 44 N 13.46 1.06 0.03 8.56 0.00 -1.26 -4.85 120.51 137.51 2e5s n ALA 44 Ca 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2e5s n ALA 44 Cb 0.49 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2e5s n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e5s n ASP 45 N -3.55 0.53 -4.52 0.00 2.03 -1.26 -5.00 116.55 104.79 2e5s n ASP 45 Ca -0.37 0.10 -0.46 0.00 0.52 0.00 0.00 54.79 54.57 2e5s n ASP 45 Cb 0.99 -0.14 -0.05 0.00 -0.72 0.00 0.00 41.12 41.19 2e5s n ASP 45 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2e5s n SER 46 N -3.25 2.57 -3.36 1.67 7.64 -1.26 -4.84 113.62 112.80 2e5s n SER 46 Ca 0.00 0.25 -0.38 0.00 1.01 0.00 0.00 58.87 59.74 2e5s n SER 46 Cb 0.21 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 61.99 2e5s n SER 46 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2e5s n THR 47 N 7.51 4.90 -1.92 0.44 5.66 -1.26 -4.62 114.28 124.98 2e5s n THR 47 Ca 0.37 -3.81 -0.30 0.00 -3.05 0.00 0.00 64.05 57.25 2e5s n THR 47 Cb 0.34 -2.16 0.03 0.00 -1.55 0.00 0.00 70.33 66.99 2e5s n THR 47 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2e5s n MET 48 N 2.09 3.18 -3.46 1.09 2.81 -1.26 -5.02 117.12 116.55 2e5s n MET 48 Ca 0.65 -3.90 -0.38 0.00 -1.81 0.00 0.00 57.70 52.26 2e5s n MET 48 Cb 0.27 -2.27 -0.06 0.00 -0.71 0.00 0.00 33.22 30.45 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2e5s s ILE 49 N -4.96 5.02 -0.31 2.02 1.01 -1.26 -3.99 121.20 118.74 2e5s s ILE 49 Ca 0.54 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 61.95 2e5s s ILE 49 Cb 0.44 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2e5s s ILE 49 CO -0.11 0.55 0.22 -1.81 0.00 0.00 0.00 174.94 173.80 2e5s s ASP 50 N -0.88 6.05 0.00 3.58 1.01 -0.18 -4.94 116.67 121.31 2e5s s ASP 50 Ca 0.24 -0.19 0.16 0.00 0.71 0.00 0.00 52.55 53.47 2e5s s ASP 50 Cb -0.17 -2.13 0.94 0.00 1.01 0.00 0.00 42.92 42.57 2e5s s ASP 50 CO 0.13 -0.15 1.36 0.35 0.21 0.00 0.00 175.17 177.08 2e5s n THR 51 N 5.09 0.00 -0.05 -1.27 -2.24 -1.26 0.16 114.28 114.71 2e5s n THR 51 Ca -0.13 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 2e5s n THR 51 Cb 0.51 -0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 2e5s n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e5s n SER 52 N -0.94 2.04 -0.74 3.42 7.64 -1.26 -4.61 113.62 119.17 2e5s n SER 52 Ca 0.12 0.20 0.03 0.00 1.01 0.00 0.00 58.87 60.23 2e5s n SER 52 Cb 0.05 -0.80 0.05 0.00 -1.01 0.00 0.00 64.21 62.50 2e5s n SER 52 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2e5s n ASP 53 N -3.68 0.82 -3.50 6.43 5.68 -1.11 -4.99 116.55 116.21 2e5s n ASP 53 Ca -0.36 -2.36 -0.24 0.00 -0.50 0.00 0.00 54.79 51.33 2e5s n ASP 53 Cb 0.96 -0.30 -0.04 0.00 -1.14 0.00 0.00 41.12 40.59 2e5s n ASP 53 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2e5s n ASN 54 N -0.18 -1.35 -4.49 -1.12 6.94 0.42 -4.87 115.26 110.59 2e5s n ASN 54 Ca 0.06 -0.53 -0.26 0.00 -0.02 0.00 0.00 54.58 53.83 2e5s n ASN 54 Cb 0.82 -1.23 -0.10 0.00 -2.36 0.00 0.00 39.78 36.91 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2e5s s THR 55 N -2.55 2.69 0.20 5.53 -4.23 -1.22 -2.54 115.64 113.52 2e5s s THR 55 Ca 0.47 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 2e5s s THR 55 Cb -0.27 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 2e5s s THR 55 CO 0.58 -0.23 -0.11 0.68 -0.54 0.00 0.00 174.62 175.00 2e5s s VAL 56 N -2.00 3.07 0.55 2.29 -7.23 -0.41 -1.01 120.40 115.65 2e5s s VAL 56 Ca 0.26 -1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 58.52 2e5s s VAL 56 Cb -0.07 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.28 2e5s s VAL 56 CO 0.14 -0.15 0.98 -0.89 -0.31 0.00 0.00 175.10 174.87 2e5s s THR 57 N -1.81 4.64 -0.11 5.32 2.01 -1.26 -0.65 115.64 123.79 2e5s s THR 57 Ca 0.25 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.28 2e5s s THR 57 Cb -0.08 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2e5s s THR 57 CO 0.15 -0.89 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.28 2e5s s VAL 58 N -2.86 2.02 -0.01 3.82 1.01 0.45 -1.73 120.40 123.09 2e5s s VAL 58 Ca 0.56 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2e5s s VAL 58 Cb -0.10 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2e5s s VAL 58 CO 0.42 0.55 1.37 0.00 0.00 0.00 0.00 175.10 177.43 2e5s h MET 60 N 7.81 -0.35 0.25 0.00 4.05 -1.96 -3.17 114.93 121.56 2e5s h MET 60 Ca -0.37 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.08 2e5s h MET 60 Cb 1.17 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 2e5s h MET 60 CO 0.90 -0.02 -0.46 -0.44 0.23 0.00 0.00 176.91 177.12 2e5s h ASP 61 N -0.74 -1.34 -0.83 1.39 5.19 -1.92 -2.44 116.42 115.73 2e5s h ASP 61 Ca -0.04 0.13 0.16 0.00 -0.62 0.00 0.00 57.03 56.66 2e5s h ASP 61 Cb 0.49 0.48 -0.15 0.00 0.18 0.00 0.00 39.33 40.33 2e5s h ASP 61 CO 0.06 -0.56 -0.23 0.00 -3.12 0.00 0.00 179.24 175.39 2e5s n TYR 62 N -5.50 0.24 -0.25 4.55 9.36 -1.25 0.11 117.16 124.42 2e5s n TYR 62 Ca -0.09 1.02 0.03 0.00 3.32 0.00 0.00 57.90 62.18 2e5s n TYR 62 Cb 0.41 -0.94 0.12 0.00 -0.63 0.00 0.00 39.34 38.30 2e5s n TYR 62 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 2e5s h ILE 63 N 0.00 0.33 0.00 2.97 1.08 -1.40 0.92 117.51 121.41 2e5s h ILE 63 Ca 0.37 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.82 2e5s h ILE 63 Cb 0.58 0.27 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2e5s h ILE 63 CO -0.85 0.01 -0.02 0.11 -0.69 0.00 0.00 178.15 176.71 2e5s h LYS 64 N 0.06 0.00 0.00 2.37 1.57 0.77 -3.46 116.57 117.88 2e5s h LYS 64 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2e5s h LYS 64 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2e5s h LYS 64 CO -0.68 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 178.63 2e5s n GLY 65 N -1.22 2.22 2.95 3.86 0.00 0.32 -5.06 105.19 108.26 2e5s n GLY 65 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2e5s n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e5s s ARG 66 N -0.10 1.60 -0.44 1.61 1.81 -1.24 -4.92 118.95 117.26 2e5s s ARG 66 Ca 0.00 -1.22 -0.04 0.00 -1.72 0.00 0.00 55.73 52.75 2e5s s ARG 66 Cb 0.00 -2.69 0.12 0.00 -0.45 0.00 0.00 34.95 31.93 2e5s s ARG 66 CO 0.00 -0.70 0.25 0.00 -0.68 0.00 0.00 175.30 174.18 2e5s n MET 68 N 4.54 1.56 -1.74 0.00 0.00 -1.26 -4.92 117.12 115.30 2e5s n MET 68 Ca -0.02 -3.01 -0.39 0.00 0.00 0.00 0.00 57.70 54.28 2e5s n MET 68 Cb 0.41 -1.60 0.03 0.00 0.00 0.00 0.00 33.22 32.06 2e5s n MET 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2e5s n ARG 69 N -1.21 1.88 -2.01 3.17 1.74 -1.26 -4.87 116.66 114.10 2e5s n ARG 69 Ca 0.19 0.68 -0.42 0.00 -0.77 0.00 0.00 57.85 57.53 2e5s n ARG 69 Cb 0.71 -2.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 2e5s n ARG 69 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2e5s s GLU 70 N -2.65 3.20 -0.89 5.56 2.12 -1.26 -2.89 118.70 121.88 2e5s s GLU 70 Ca 0.67 1.27 -0.01 0.00 0.36 0.00 0.00 54.97 57.27 2e5s s GLU 70 Cb -0.44 -4.23 0.00 0.00 0.26 0.00 0.00 34.13 29.72 2e5s s GLU 70 CO 0.53 -2.03 0.75 1.17 -0.54 0.00 0.00 175.26 175.14 2e5s n LYS 71 N 8.55 -4.96 -1.66 4.30 3.00 -1.26 -4.88 118.16 121.26 2e5s n LYS 71 Ca 0.23 0.62 -0.54 0.00 -0.00 0.00 0.00 58.31 58.61 2e5s n LYS 71 Cb 0.48 -4.96 -0.06 0.00 0.00 0.00 0.00 35.03 30.48 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e5s n LYS 73 N 4.17 2.75 -4.34 0.00 0.00 -1.26 -5.06 118.16 114.43 2e5s n LYS 73 Ca 0.22 -3.97 -0.20 0.00 -0.00 0.00 0.00 58.31 54.36 2e5s n LYS 73 Cb 0.17 -1.96 -0.11 0.00 -0.00 0.00 0.00 35.03 33.14 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2e5s s TYR 74 N -3.55 1.77 0.48 5.58 2.02 -1.26 -4.95 117.35 117.44 2e5s s TYR 74 Ca 0.41 -0.50 -0.21 0.00 -0.37 0.00 0.00 57.07 56.40 2e5s s TYR 74 Cb 0.40 -0.86 -0.09 0.00 -0.40 0.00 0.00 41.96 41.01 2e5s s TYR 74 CO -0.04 0.34 1.03 0.12 -1.57 0.00 0.00 175.55 175.43 2e5s s PHE 75 N -2.38 3.04 -0.38 2.71 5.36 -0.71 -4.73 117.98 120.89 2e5s s PHE 75 Ca 0.18 1.58 0.04 0.00 -0.96 0.00 0.00 56.93 57.77 2e5s s PHE 75 Cb -0.04 -3.05 0.11 0.00 -0.34 0.00 0.00 43.02 39.70 2e5s s PHE 75 CO 0.07 -0.75 0.10 -1.01 -1.46 0.00 0.00 175.22 172.17 2e5s s HIS 76 N -1.98 3.64 1.02 10.12 3.76 -1.26 -2.88 115.29 127.70 2e5s s HIS 76 Ca 0.66 -3.03 -0.13 0.00 -0.15 0.00 0.00 55.06 52.42 2e5s s HIS 76 Cb -0.16 -2.92 0.20 0.00 1.11 0.00 0.00 32.58 30.82 2e5s s HIS 76 CO 0.20 -0.90 1.09 -1.25 -0.85 0.00 0.00 174.74 173.02 2e5s s PRO 77 N 0.64 0.25 1.22 8.40 0.04 -1.26 -5.05 135.00 139.24 2e5s s PRO 77 Ca 0.12 0.47 -0.21 0.00 0.04 0.00 0.00 61.00 61.43 2e5s s PRO 77 Cb -0.21 -1.72 0.30 0.00 0.04 0.00 0.00 34.50 32.92 2e5s s PRO 77 CO -0.06 -2.84 1.09 -0.35 0.04 0.00 0.00 177.00 174.87 2e5s n PRO 78 N -4.25 -3.13 0.28 0.56 -0.04 -1.26 -4.68 135.00 122.49 2e5s n PRO 78 Ca 0.05 -1.74 -0.14 0.00 -0.04 0.00 0.00 63.50 61.63 2e5s n PRO 78 Cb 0.57 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 2e5s n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s h ALA 79 N -2.74 -0.75 -0.89 0.55 0.00 -1.98 0.13 119.26 113.59 2e5s h ALA 79 Ca -0.41 -0.20 0.24 0.00 0.00 0.00 0.00 54.91 54.54 2e5s h ALA 79 Cb 1.25 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.19 2e5s h ALA 79 CO 0.27 -0.77 0.27 1.12 0.00 0.00 0.00 179.25 180.13 2e5s h HIS 80 N -1.05 0.41 0.25 0.00 -0.00 -1.99 -1.68 115.15 111.08 2e5s h HIS 80 Ca -0.08 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 2e5s h HIS 80 Cb 0.64 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 2e5s h HIS 80 CO 0.01 -0.20 -0.12 -0.07 -0.00 0.00 0.00 177.93 177.55 2e5s h LEU 81 N 0.23 -0.28 -0.82 6.12 3.38 -1.92 -3.20 115.31 118.82 2e5s h LEU 81 Ca 0.56 -0.23 0.32 0.00 0.09 0.00 0.00 57.88 58.63 2e5s h LEU 81 Cb 1.15 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 2e5s h LEU 81 CO -0.64 0.22 0.48 0.00 0.09 0.00 0.00 178.44 178.58 2e5s n GLN 82 N -5.01 -0.04 0.10 1.13 6.02 0.44 0.13 117.38 120.15 2e5s n GLN 82 Ca -0.08 0.97 -0.12 0.00 -0.01 0.00 0.00 57.00 57.76 2e5s n GLN 82 Cb 0.25 -1.80 -0.08 0.00 1.02 0.00 0.00 30.24 29.62 2e5s n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s h ALA 83 N 1.36 -0.29 -1.13 -1.58 0.00 -1.46 -2.82 119.26 113.34 2e5s h ALA 83 Ca 0.63 -0.20 0.39 0.00 0.00 0.00 0.00 54.91 55.73 2e5s h ALA 83 Cb 1.78 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 19.57 2e5s h ALA 83 CO -0.49 -0.44 0.72 1.63 0.00 0.00 0.00 179.25 180.68 2e5s n LYS 84 N -5.03 -0.03 0.10 0.00 4.01 0.34 0.21 118.16 117.76 2e5s n LYS 84 Ca -0.09 1.03 -0.23 0.00 -0.51 0.00 0.00 58.31 58.52 2e5s n LYS 84 Cb 0.26 -2.03 -0.15 0.00 -0.51 0.00 0.00 35.03 32.59 2e5s n LYS 84 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2e5s h ILE 85 N 0.00 1.32 -0.79 -0.18 5.03 -1.47 -3.33 117.51 118.10 2e5s h ILE 85 Ca 0.72 -2.61 0.04 0.00 -0.12 0.00 0.00 64.86 62.90 2e5s h ILE 85 Cb 2.33 3.06 -0.05 0.00 -3.03 0.00 0.00 36.82 39.13 2e5s h ILE 85 CO -0.39 0.77 0.50 0.11 -0.68 0.00 0.00 178.15 178.46 2e5s h LYS 86 N -0.08 0.92 -0.89 2.37 1.57 0.27 -2.23 116.57 118.50 2e5s h LYS 86 Ca -0.23 -0.06 0.23 0.00 -1.87 0.00 0.00 60.65 58.73 2e5s h LYS 86 Cb 1.95 -0.21 -0.13 0.00 0.08 0.00 0.00 32.23 33.92 2e5s h LYS 86 CO 0.21 0.61 0.35 0.00 -0.57 0.00 0.00 179.45 180.05 2e5s h ALA 87 N 1.34 1.42 0.51 3.86 0.00 -1.03 -0.90 119.26 124.46 2e5s h ALA 87 Ca 0.32 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 2e5s h ALA 87 Cb 0.05 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2e5s h ALA 87 CO -0.13 -0.41 -0.29 0.00 0.00 0.00 0.00 179.25 178.43 2e5s h ALA 88 N 1.74 -0.75 -0.07 0.00 0.00 -1.54 -3.19 119.26 115.45 2e5s h ALA 88 Ca 0.57 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2e5s h ALA 88 Cb 1.12 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2e5s h ALA 88 CO -0.58 -0.93 -0.48 1.96 0.00 0.00 0.00 179.25 179.23 2e5s h GLN 89 N -0.75 -0.53 -7.24 0.00 7.50 -1.19 -3.42 115.11 109.49 2e5s h GLN 89 Ca -0.06 0.04 -0.52 0.00 0.50 0.00 0.00 58.65 58.60 2e5s h GLN 89 Cb 0.60 0.12 0.15 0.00 0.05 0.00 0.00 27.48 28.40 2e5s h GLN 89 CO 0.08 -0.35 0.32 -1.58 -1.50 0.00 0.00 178.83 175.80 2e5s s HIS 90 N -5.39 2.13 0.74 2.96 2.46 -0.78 -5.04 115.29 112.37 2e5s s HIS 90 Ca -0.14 1.64 -0.01 0.00 0.47 0.00 0.00 55.06 57.02 2e5s s HIS 90 Cb 0.06 -3.29 0.15 0.00 -0.13 0.00 0.00 32.58 29.37 2e5s s HIS 90 CO 0.54 -2.34 1.02 0.00 -2.47 0.00 0.00 174.74 171.48 2e5s n GLN 91 N -3.32 -0.18 -3.29 2.88 10.64 -1.26 -4.60 117.38 118.24 2e5s n GLN 91 Ca 0.11 -2.67 -0.17 0.00 -1.83 0.00 0.00 57.00 52.44 2e5s n GLN 91 Cb 0.52 -0.71 0.07 0.00 -0.86 0.00 0.00 30.24 29.26 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2e5s n ALA 92 N -2.97 -1.37 -2.66 2.61 0.00 -1.26 -4.96 120.51 109.91 2e5s n ALA 92 Ca -0.17 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2e5s n ALA 92 Cb 0.59 -3.38 -0.03 0.00 0.00 0.00 0.00 19.45 16.62 2e5s n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2e5s s ASN 93 N -3.69 6.99 0.68 0.00 2.47 -1.26 -5.04 114.94 115.09 2e5s s ASN 93 Ca 0.25 1.23 -0.11 0.00 0.42 0.00 0.00 52.86 54.65 2e5s s ASN 93 Cb -0.11 -2.49 -0.00 0.00 -1.45 0.00 0.00 41.25 37.20 2e5s s ASN 93 CO 0.60 -0.57 1.06 0.00 -3.72 0.00 0.00 177.10 174.48 2e5s s GLN 94 N 2.88 3.10 -0.86 0.43 0.00 -1.26 -4.16 119.66 119.79 2e5s s GLN 94 Ca 0.40 0.68 -0.05 0.00 -0.00 0.00 0.00 55.36 56.39 2e5s s GLN 94 Cb -0.15 -2.03 0.01 0.00 0.00 0.00 0.00 33.01 30.83 2e5s s GLN 94 CO 0.08 -0.91 0.75 0.00 0.00 0.00 0.00 175.29 175.21 2e5s n ALA 95 N -2.96 -0.91 -0.59 2.60 0.00 -1.26 -4.99 120.51 112.39 2e5s n ALA 95 Ca 0.07 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 2e5s n ALA 95 Cb 0.55 -3.44 0.23 0.00 0.00 0.00 0.00 19.45 16.79 2e5s n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s s ALA 96 N -3.21 -0.05 0.22 0.00 0.00 -1.26 -5.02 121.76 112.43 2e5s s ALA 96 Ca 0.32 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2e5s s ALA 96 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2e5s s ALA 96 CO 0.47 -3.61 0.38 0.14 0.00 0.00 0.00 175.76 173.14 2e5s s VAL 97 N -2.51 5.23 0.00 0.00 -7.23 -1.26 -5.25 120.40 109.38 2e5s s VAL 97 Ca 0.68 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 2e5s s VAL 97 Cb -0.24 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 32.91 2e5s s VAL 97 CO 0.63 -0.25 0.00 0.00 -0.31 0.00 0.00 175.10 175.17