#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s s SER 2 N 0.00 -0.90 0.07 1.61 0.15 -1.26 -5.16 113.70 108.21 2e5s s SER 2 Ca 0.00 1.29 -0.25 0.00 0.70 0.00 0.00 55.95 57.69 2e5s s SER 2 Cb 0.00 2.01 0.06 0.00 -1.71 0.00 0.00 66.02 66.38 2e5s s SER 2 CO 0.00 -0.23 0.60 -0.94 1.20 0.00 0.00 173.24 173.86 2e5s s SER 3 N 2.81 -0.55 0.06 5.45 1.04 -1.26 -5.18 113.70 116.07 2e5s s SER 3 Ca -0.01 0.23 -0.26 0.00 0.48 0.00 0.00 55.95 56.40 2e5s s SER 3 Cb -0.13 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.64 2e5s s SER 3 CO -0.18 -0.80 1.19 -0.83 0.98 0.00 0.00 173.24 173.60 2e5s s GLY 4 N -2.12 -0.06 -0.30 7.32 0.00 -1.26 -5.16 107.32 105.75 2e5s s GLY 4 Ca -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 2e5s s GLY 4 CO -0.04 3.87 0.61 -0.56 0.00 0.00 0.00 173.10 176.98 2e5s s SER 5 N -3.57 -1.23 -0.19 1.64 0.01 -1.26 -5.15 113.70 103.94 2e5s s SER 5 Ca 0.25 1.14 -0.13 0.00 1.31 0.00 0.00 55.95 58.52 2e5s s SER 5 Cb -0.01 2.18 0.06 0.00 0.21 0.00 0.00 66.02 68.46 2e5s s SER 5 CO 0.01 -0.24 0.48 -0.44 0.41 0.00 0.00 173.24 173.46 2e5s s SER 6 N 2.86 -0.58 0.00 2.44 0.01 -1.26 -5.16 113.70 112.01 2e5s s SER 6 Ca 0.10 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2e5s s SER 6 Cb -0.14 0.94 0.00 0.00 0.21 0.00 0.00 66.02 67.03 2e5s s SER 6 CO -0.20 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2e5s n GLY 7 N 3.82 4.86 2.98 3.44 0.00 -1.26 -5.18 105.19 113.85 2e5s n GLY 7 Ca -0.20 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 2e5s n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5s s SER 8 N 1.28 0.03 0.23 1.61 1.04 -1.26 -5.17 113.70 111.46 2e5s s SER 8 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2e5s s SER 8 Cb 0.00 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2e5s s SER 8 CO 0.00 -0.16 0.11 0.42 0.98 0.00 0.00 173.24 174.59 2e5s s THR 9 N -0.60 0.35 -0.28 2.02 -4.23 -1.26 -5.14 115.64 106.50 2e5s s THR 9 Ca -0.07 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2e5s s THR 9 Cb -0.04 -2.57 0.08 0.00 1.34 0.00 0.00 72.50 71.30 2e5s s THR 9 CO 0.00 -0.01 -0.01 0.00 -0.54 0.00 0.00 174.62 174.06 2e5s s ALA 10 N -3.90 2.27 -0.29 3.99 0.00 -1.26 -5.07 121.76 117.49 2e5s s ALA 10 Ca 0.38 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 2e5s s ALA 10 Cb 0.07 -1.65 0.17 0.00 0.00 0.00 0.00 23.12 21.71 2e5s s ALA 10 CO 0.13 -1.42 1.06 -0.08 0.00 0.00 0.00 175.76 175.45 2e5s s THR 11 N 1.24 -0.01 -0.29 0.00 -1.32 -1.26 -5.06 115.64 108.93 2e5s s THR 11 Ca 0.01 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.66 2e5s s THR 11 Cb -0.19 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.28 2e5s s THR 11 CO -0.10 0.00 1.10 0.00 -2.21 0.00 0.00 174.62 173.41 2e5s n GLN 12 N 3.56 2.23 -2.57 7.08 10.64 -1.26 -5.08 117.38 131.98 2e5s n GLN 12 Ca -0.18 -3.71 -0.42 0.00 -1.83 0.00 0.00 57.00 50.86 2e5s n GLN 12 Cb 0.57 -1.76 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 2e5s n GLN 12 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2e5s s LYS 13 N -3.61 4.49 0.43 2.61 -2.85 -1.26 -5.03 119.74 114.51 2e5s s LYS 13 Ca 0.35 1.59 -0.09 0.00 -1.00 0.00 0.00 55.97 56.81 2e5s s LYS 13 Cb 0.37 -3.42 -0.06 0.00 -2.06 0.00 0.00 37.83 32.67 2e5s s LYS 13 CO -0.02 -0.17 0.78 -0.48 0.10 0.00 0.00 175.35 175.56 2e5s s LEU 14 N 1.12 3.77 -0.27 2.77 0.05 -1.26 -5.09 118.68 119.76 2e5s s LEU 14 Ca 0.55 1.08 -0.22 0.00 0.05 0.00 0.00 54.13 55.58 2e5s s LEU 14 Cb -0.25 -3.98 0.08 0.00 -2.05 0.00 0.00 46.19 39.99 2e5s s LEU 14 CO 0.28 -0.45 0.74 -1.48 -0.55 0.00 0.00 176.35 174.89 2e5s s LEU 15 N -4.11 -0.77 0.49 1.48 2.34 -1.26 -5.18 118.68 111.68 2e5s s LEU 15 Ca 0.50 1.41 0.03 0.00 0.06 0.00 0.00 54.13 56.13 2e5s s LEU 15 Cb -0.10 2.39 0.02 0.00 -0.56 0.00 0.00 46.19 47.94 2e5s s LEU 15 CO 0.35 -0.24 0.70 -0.13 -1.06 0.00 0.00 176.35 175.97 2e5s s ARG 16 N 0.71 2.72 0.00 1.48 3.00 -1.26 -5.04 118.95 120.56 2e5s s ARG 16 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 55.73 54.86 2e5s s ARG 16 Cb -0.05 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.32 2e5s s ARG 16 CO -0.05 -0.50 0.00 -2.37 0.00 0.00 0.00 175.30 172.38 2e5s n THR 17 N -2.15 0.00 -1.63 0.02 5.66 -1.26 -4.82 114.28 110.09 2e5s n THR 17 Ca 0.06 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.76 2e5s n THR 17 Cb 0.59 -0.37 -0.04 0.00 -1.55 0.00 0.00 70.33 68.96 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 -1.99 6.95 -3.87 1.09 5.68 -1.26 -4.87 116.55 118.28 2e5s n ASP 18 Ca 0.00 -3.15 -0.12 0.00 -0.50 0.00 0.00 54.79 51.01 2e5s n ASP 18 Cb 0.31 -1.28 -0.14 0.00 -1.14 0.00 0.00 41.12 38.86 2e5s n ASP 18 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2e5s s LYS 19 N -1.41 0.01 0.05 0.11 0.00 -1.26 0.91 119.74 118.15 2e5s s LYS 19 Ca 0.58 0.00 0.06 0.00 0.00 0.00 0.00 55.97 56.61 2e5s s LYS 19 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 37.83 38.10 2e5s s LYS 19 CO -0.17 -0.00 -0.17 -0.51 0.00 0.00 0.00 175.35 174.49 2e5s s LEU 20 N 0.04 2.19 -0.46 2.77 1.43 0.37 -4.92 118.68 120.10 2e5s s LEU 20 Ca -0.00 -0.52 -0.28 0.00 -1.03 0.00 0.00 54.13 52.30 2e5s s LEU 20 Cb -0.01 -0.76 0.03 0.00 0.03 0.00 0.00 46.19 45.49 2e5s s LEU 20 CO -0.00 0.07 1.06 -1.61 0.23 0.00 0.00 176.35 176.10 2e5s s GLU 21 N -1.29 3.67 0.10 1.70 2.02 -1.26 -1.30 118.70 122.34 2e5s s GLU 21 Ca 0.04 0.44 -0.31 0.00 0.02 0.00 0.00 54.97 55.16 2e5s s GLU 21 Cb -0.09 -3.91 -0.09 0.00 0.10 0.00 0.00 34.13 30.15 2e5s s GLU 21 CO 0.02 -1.30 1.62 0.08 0.02 0.00 0.00 175.26 175.70 2e5s s VAL 22 N 4.16 2.90 -0.17 2.63 1.01 -1.17 -3.19 120.40 126.57 2e5s s VAL 22 Ca 0.44 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 2e5s s VAL 22 Cb -0.08 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2e5s s VAL 22 CO 0.29 0.01 2.01 0.00 0.00 0.00 0.00 175.10 177.41 2e5s h ARG 24 N 12.98 0.00 0.25 0.00 -0.00 -1.94 -3.15 114.38 122.51 2e5s h ARG 24 Ca -0.41 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.06 2e5s h ARG 24 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.19 2e5s h ARG 24 CO 0.97 0.11 -0.12 0.93 0.00 0.00 0.00 179.97 181.86 2e5s h GLU 25 N 0.00 -0.32 -0.84 0.04 4.39 -1.96 -3.30 114.58 112.58 2e5s h GLU 25 Ca -0.00 0.02 0.26 0.00 0.34 0.00 0.00 59.36 59.98 2e5s h GLU 25 Cb 0.28 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 28.85 2e5s h GLU 25 CO 0.01 -0.21 0.13 0.34 -1.16 0.00 0.00 179.01 178.12 2e5s n PHE 26 N -4.17 0.65 -0.05 4.33 -0.00 -1.20 0.20 117.46 117.22 2e5s n PHE 26 Ca -0.04 1.01 -0.12 0.00 -0.00 0.00 0.00 57.45 58.30 2e5s n PHE 26 Cb 0.13 -1.20 -0.07 0.00 -0.00 0.00 0.00 39.48 38.34 2e5s n PHE 26 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 2e5s h GLN 27 N 0.00 -0.44 -0.61 -4.13 4.20 -1.63 0.28 115.11 112.78 2e5s h GLN 27 Ca 0.56 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.30 2e5s h GLN 27 Cb 1.27 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2e5s h GLN 27 CO -0.76 -0.29 0.00 2.89 -0.67 0.00 0.00 178.83 180.00 2e5s n ARG 28 N -5.43 1.76 -3.46 1.46 1.85 0.13 -4.89 116.66 108.09 2e5s n ARG 28 Ca -0.03 -0.74 -0.19 0.00 -1.00 0.00 0.00 57.85 55.88 2e5s n ARG 28 Cb 0.36 -1.47 0.06 0.00 -1.05 0.00 0.00 32.46 30.36 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 0.41 -0.75 0.00 2.89 0.00 0.97 -4.93 105.19 103.78 2e5s n GLY 29 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2e5s n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e5s n ASN 30 N -3.08 4.87 -4.67 1.61 5.15 -0.82 -4.95 115.26 113.37 2e5s n ASN 30 Ca -0.18 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.37 2e5s n ASN 30 Cb 0.64 0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 40.41 2e5s n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e5s n ALA 32 N 0.28 2.29 0.38 0.00 0.00 -1.26 -4.49 120.51 117.70 2e5s n ALA 32 Ca 0.06 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2e5s n ALA 32 Cb 0.35 -0.27 0.38 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.58 0.00 3.08 -1.91 -3.49 114.38 109.48 2e5s h ARG 33 Ca -0.02 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.35 2e5s h ARG 33 Cb 0.49 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 2e5s h ARG 33 CO 0.00 0.00 -0.43 0.41 -1.07 0.00 0.00 179.97 178.88 2e5s n GLY 34 N 0.82 -1.52 0.36 0.04 0.00 -1.26 -0.32 105.19 103.32 2e5s n GLY 34 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.50 1.11 -0.01 1.61 2.13 -1.26 -0.39 120.64 120.33 2e5s n GLU 35 Ca 0.01 -0.10 -0.01 0.00 0.66 0.00 0.00 57.16 57.72 2e5s n GLU 35 Cb 0.63 -1.34 -0.03 0.00 0.27 0.00 0.00 31.44 30.98 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 -0.14 0.17 -0.02 6.31 -2.24 -1.24 -4.73 114.28 112.38 2e5s n THR 36 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2e5s n THR 36 Cb 0.19 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.98 0.15 -4.88 3.42 2.03 0.57 -5.04 116.55 110.82 2e5s n ASP 37 Ca -0.04 -0.53 -0.33 0.00 0.52 0.00 0.00 54.79 54.40 2e5s n ASP 37 Cb 0.46 0.72 -0.05 0.00 -0.72 0.00 0.00 41.12 41.53 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e5s n ARG 39 N 0.44 4.32 -5.16 0.00 1.85 -1.26 -4.81 116.66 112.04 2e5s n ARG 39 Ca -0.04 -2.88 -0.32 0.00 -1.00 0.00 0.00 57.85 53.61 2e5s n ARG 39 Cb 0.52 -2.20 -0.15 0.00 -1.05 0.00 0.00 32.46 29.58 2e5s n ARG 39 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2e5s s PHE 40 N -2.66 2.50 -0.09 2.89 0.08 -1.26 -4.92 117.98 114.51 2e5s s PHE 40 Ca 0.50 -0.53 -0.29 0.00 0.12 0.00 0.00 56.93 56.73 2e5s s PHE 40 Cb 0.39 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 2e5s s PHE 40 CO 0.14 -0.09 1.71 0.00 -0.10 0.00 0.00 175.22 176.88 2e5s s ALA 41 N -0.35 3.48 -0.54 5.36 0.00 -1.19 -4.68 121.76 123.84 2e5s s ALA 41 Ca 0.02 0.86 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 2e5s s ALA 41 Cb -0.12 -3.80 0.12 0.00 0.00 0.00 0.00 23.12 19.31 2e5s s ALA 41 CO 0.02 -1.63 0.51 -1.01 0.00 0.00 0.00 175.76 173.65 2e5s s HIS 42 N 4.61 3.22 -0.59 0.00 3.76 -1.26 -2.85 115.29 122.18 2e5s s HIS 42 Ca 0.76 -1.20 -0.27 0.00 -0.15 0.00 0.00 55.06 54.20 2e5s s HIS 42 Cb -0.32 -3.74 -0.02 0.00 1.11 0.00 0.00 32.58 29.61 2e5s s HIS 42 CO 0.31 -1.02 1.85 -1.25 -0.85 0.00 0.00 174.74 173.78 2e5s s PRO 43 N 1.73 2.69 0.19 8.40 0.04 -1.26 -4.85 135.00 141.94 2e5s s PRO 43 Ca 0.04 0.67 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 2e5s s PRO 43 Cb -0.29 -4.37 0.11 0.00 0.04 0.00 0.00 34.50 29.99 2e5s s PRO 43 CO 0.04 -2.66 1.72 0.00 0.04 0.00 0.00 177.00 176.14 2e5s h ALA 44 N 14.77 0.92 0.00 8.56 0.00 -2.02 -2.74 119.26 138.75 2e5s h ALA 44 Ca -0.26 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2e5s h ALA 44 Cb 1.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2e5s h ALA 44 CO 1.20 0.62 -0.58 -0.44 0.00 0.00 0.00 179.25 180.05 2e5s h ASP 45 N 1.04 0.00 -6.30 0.00 3.32 -2.04 -3.47 116.42 108.97 2e5s h ASP 45 Ca 0.22 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.80 2e5s h ASP 45 Cb 0.34 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2e5s h ASP 45 CO -0.00 0.58 -0.80 -1.20 -1.72 0.00 0.00 179.24 176.10 2e5s n SER 46 N -3.29 -3.14 0.00 6.45 7.64 -1.03 -4.84 113.62 115.40 2e5s n SER 46 Ca 0.01 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.06 2e5s n SER 46 Cb 0.75 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.20 2e5s n SER 46 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2e5s n THR 47 N -4.51 0.00 -0.86 0.44 -1.04 -1.26 -4.78 114.28 102.26 2e5s n THR 47 Ca -0.09 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.81 2e5s n THR 47 Cb 0.58 -0.47 -0.05 0.00 -1.82 0.00 0.00 70.33 68.57 2e5s n THR 47 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2e5s n MET 48 N -2.31 1.65 -4.27 -2.82 2.81 -1.26 -4.87 117.12 106.05 2e5s n MET 48 Ca 0.00 -0.93 -0.35 0.00 -1.81 0.00 0.00 57.70 54.61 2e5s n MET 48 Cb 0.36 -1.58 -0.09 0.00 -0.71 0.00 0.00 33.22 31.20 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 -0.46 4.50 -0.33 2.02 1.01 -1.26 -4.56 121.20 122.11 2e5s s ILE 49 Ca 0.34 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.58 2e5s s ILE 49 Cb 0.20 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2e5s s ILE 49 CO -0.03 0.59 0.84 -1.81 0.00 0.00 0.00 174.94 174.53 2e5s s ASP 50 N -0.72 6.67 0.00 3.58 1.11 -0.75 -4.90 116.67 121.66 2e5s s ASP 50 Ca 0.12 0.62 0.18 0.00 0.18 0.00 0.00 52.55 53.64 2e5s s ASP 50 Cb -0.12 -2.43 1.05 0.00 1.07 0.00 0.00 42.92 42.50 2e5s s ASP 50 CO 0.02 -0.71 1.50 0.35 1.18 0.00 0.00 175.17 177.51 2e5s n THR 51 N 5.70 0.00 -0.08 -1.27 -2.24 -1.26 0.12 114.28 115.26 2e5s n THR 51 Ca 0.05 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.60 2e5s n THR 51 Cb 0.48 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 68.04 2e5s n THR 51 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2e5s n SER 52 N -0.90 1.97 -0.67 3.42 2.88 -1.26 -4.64 113.62 114.43 2e5s n SER 52 Ca 0.13 0.29 0.04 0.00 -1.33 0.00 0.00 58.87 58.00 2e5s n SER 52 Cb 0.06 -0.86 0.06 0.00 -0.75 0.00 0.00 64.21 62.71 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2e5s n ASP 53 N -4.01 0.89 -3.61 -3.46 9.92 -1.18 -4.99 116.55 110.12 2e5s n ASP 53 Ca -0.37 -2.42 -0.24 0.00 -0.53 0.00 0.00 54.79 51.23 2e5s n ASP 53 Cb 0.86 -0.31 -0.04 0.00 -0.64 0.00 0.00 41.12 40.99 2e5s n ASP 53 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2e5s n ASN 54 N -0.29 -1.44 -4.62 -2.24 6.94 0.32 -4.89 115.26 109.05 2e5s n ASN 54 Ca 0.07 -0.47 -0.28 0.00 -0.02 0.00 0.00 54.58 53.88 2e5s n ASN 54 Cb 0.80 -1.32 -0.09 0.00 -2.36 0.00 0.00 39.78 36.81 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 -2.67 3.51 0.00 5.53 -4.23 -1.23 -3.05 115.64 113.51 2e5s s THR 55 Ca 0.46 -1.41 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 2e5s s THR 55 Cb -0.27 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 2e5s s THR 55 CO 0.57 -0.04 -0.16 0.68 -0.54 0.00 0.00 174.62 175.13 2e5s s VAL 56 N -1.56 2.96 0.67 2.29 -7.23 -0.42 -1.81 120.40 115.30 2e5s s VAL 56 Ca 0.25 -0.96 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 2e5s s VAL 56 Cb -0.10 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.64 2e5s s VAL 56 CO 0.16 0.45 1.09 0.42 -0.31 0.00 0.00 175.10 176.92 2e5s s THR 57 N -0.85 3.42 -0.05 5.32 -4.23 -1.26 -0.48 115.64 117.51 2e5s s THR 57 Ca 0.14 0.60 0.06 0.00 -1.18 0.00 0.00 61.69 61.31 2e5s s THR 57 Cb -0.11 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 2e5s s THR 57 CO 0.04 -0.46 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.73 2e5s s VAL 58 N -2.53 1.90 -0.55 2.29 1.01 0.26 -3.01 120.40 119.77 2e5s s VAL 58 Ca 0.64 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 2e5s s VAL 58 Cb -0.19 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2e5s s VAL 58 CO 0.45 0.53 1.62 0.00 0.00 0.00 0.00 175.10 177.70 2e5s h MET 60 N 12.65 -0.53 -0.18 0.00 4.05 -1.95 -2.39 114.93 126.58 2e5s h MET 60 Ca -0.28 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.21 2e5s h MET 60 Cb 1.13 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.99 2e5s h MET 60 CO 1.18 -0.35 -0.45 0.22 0.23 0.00 0.00 176.91 177.73 2e5s h ASP 61 N -0.55 -1.47 -0.94 1.39 3.58 -1.90 -1.49 116.42 115.04 2e5s h ASP 61 Ca 0.06 0.18 0.18 0.00 0.42 0.00 0.00 57.03 57.87 2e5s h ASP 61 Cb 0.66 0.58 -0.17 0.00 1.72 0.00 0.00 39.33 42.12 2e5s h ASP 61 CO -0.38 -0.38 -0.25 0.00 -2.88 0.00 0.00 179.24 175.34 2e5s n TYR 62 N -4.93 0.29 -0.28 0.28 9.36 -1.05 0.11 117.16 120.94 2e5s n TYR 62 Ca -0.04 1.14 0.11 0.00 3.32 0.00 0.00 57.90 62.42 2e5s n TYR 62 Cb 0.30 -1.01 0.26 0.00 -0.63 0.00 0.00 39.34 38.26 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 0.40 0.00 2.97 1.08 -0.77 0.90 117.51 122.09 2e5s h ILE 63 Ca 0.43 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.80 2e5s h ILE 63 Cb 0.66 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 2e5s h ILE 63 CO -0.96 0.05 -0.03 0.11 -0.69 0.00 0.00 178.15 176.63 2e5s h LYS 64 N 0.26 0.00 0.00 2.37 1.57 0.93 -3.46 116.57 118.24 2e5s h LYS 64 Ca 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2e5s h LYS 64 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2e5s h LYS 64 CO -0.59 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 178.73 2e5s n GLY 65 N -1.27 2.15 2.87 3.86 0.00 0.31 -5.07 105.19 108.04 2e5s n GLY 65 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2e5s n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e5s s ARG 66 N 0.00 1.24 -0.30 1.61 6.06 -1.25 -4.95 118.95 121.36 2e5s s ARG 66 Ca 0.00 -0.98 -0.13 0.00 -2.50 0.00 0.00 55.73 52.12 2e5s s ARG 66 Cb 0.00 -2.44 -0.03 0.00 0.06 0.00 0.00 34.95 32.54 2e5s s ARG 66 CO 0.00 -0.72 0.26 0.00 -2.50 0.00 0.00 175.30 172.35 2e5s n MET 68 N 5.17 1.55 -0.92 0.00 2.81 -1.26 -4.95 117.12 119.51 2e5s n MET 68 Ca -0.12 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.52 2e5s n MET 68 Cb 0.51 -0.93 -0.09 0.00 -0.71 0.00 0.00 33.22 31.99 2e5s n MET 68 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2e5s n ARG 69 N -1.43 0.00 -1.10 0.03 0.63 -1.26 -4.69 116.66 108.83 2e5s n ARG 69 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2e5s n ARG 69 Cb 0.12 -0.92 -0.00 0.00 0.45 0.00 0.00 32.46 32.10 2e5s n ARG 69 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2e5s n GLU 70 N 5.23 0.00 -3.77 -0.14 1.02 -1.26 0.03 120.64 121.75 2e5s n GLU 70 Ca 0.41 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.24 2e5s n GLU 70 Cb 0.02 -0.85 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2e5s n LYS 71 N 1.13 -0.81 -1.47 3.49 5.02 -1.26 -4.63 118.16 119.63 2e5s n LYS 71 Ca 0.10 0.10 -0.45 0.00 -2.02 0.00 0.00 58.31 56.03 2e5s n LYS 71 Cb 0.34 -3.36 -0.08 0.00 -0.02 0.00 0.00 35.03 31.90 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e5s n LYS 73 N 8.43 2.68 -4.22 0.00 2.85 -1.26 -4.97 118.16 121.66 2e5s n LYS 73 Ca 0.46 -3.33 -0.23 0.00 -1.05 0.00 0.00 58.31 54.17 2e5s n LYS 73 Cb 0.25 -2.25 -0.06 0.00 -0.65 0.00 0.00 35.03 32.32 2e5s n LYS 73 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2e5s s TYR 74 N -3.70 2.86 0.19 5.58 1.51 -1.26 -5.04 117.35 117.49 2e5s s TYR 74 Ca 0.61 -0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 56.22 2e5s s TYR 74 Cb 0.49 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.98 2e5s s TYR 74 CO 0.01 0.58 0.87 0.12 -1.11 0.00 0.00 175.55 176.02 2e5s s PHE 75 N -2.22 3.93 -0.48 2.71 5.36 -1.16 -4.79 117.98 121.33 2e5s s PHE 75 Ca 0.32 1.78 -0.07 0.00 -0.96 0.00 0.00 56.93 57.99 2e5s s PHE 75 Cb -0.07 -2.89 0.12 0.00 -0.34 0.00 0.00 43.02 39.84 2e5s s PHE 75 CO 0.22 0.46 0.34 -1.01 -1.46 0.00 0.00 175.22 173.76 2e5s s HIS 76 N -1.04 3.47 0.93 10.12 3.76 -1.26 -2.94 115.29 128.33 2e5s s HIS 76 Ca 0.39 -2.07 -0.12 0.00 -0.15 0.00 0.00 55.06 53.12 2e5s s HIS 76 Cb -0.24 -3.43 0.15 0.00 1.11 0.00 0.00 32.58 30.16 2e5s s HIS 76 CO 0.29 -0.98 1.09 -1.25 -0.85 0.00 0.00 174.74 173.04 2e5s s PRO 77 N 1.15 1.00 1.19 8.40 0.04 -1.26 -5.05 135.00 140.48 2e5s s PRO 77 Ca 0.08 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 2e5s s PRO 77 Cb -0.24 -1.79 0.30 0.00 0.04 0.00 0.00 34.50 32.81 2e5s s PRO 77 CO -0.02 -2.40 1.06 -0.35 0.04 0.00 0.00 177.00 175.33 2e5s n PRO 78 N -3.98 -3.10 0.06 0.56 -0.04 -1.26 -4.66 135.00 122.58 2e5s n PRO 78 Ca 0.06 -1.69 -0.02 0.00 -0.04 0.00 0.00 63.50 61.81 2e5s n PRO 78 Cb 0.56 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.73 -0.81 -0.75 0.55 0.00 -1.97 0.27 119.26 113.83 2e5s h ALA 79 Ca -0.40 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.63 2e5s h ALA 79 Cb 1.22 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2e5s h ALA 79 CO 0.26 -0.80 -0.18 -2.39 0.00 0.00 0.00 179.25 176.15 2e5s n HIS 80 N -2.49 0.28 0.15 0.00 1.44 -1.26 -0.20 115.22 113.14 2e5s n HIS 80 Ca -0.02 0.91 -0.12 0.00 -2.01 0.00 0.00 57.72 56.49 2e5s n HIS 80 Cb 0.06 -0.94 -0.07 0.00 0.12 0.00 0.00 29.99 29.15 2e5s n HIS 80 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2e5s h LEU 81 N 0.00 -0.36 -1.54 2.39 3.38 -1.93 -3.01 115.31 114.24 2e5s h LEU 81 Ca 0.37 -0.18 0.48 0.00 0.09 0.00 0.00 57.88 58.63 2e5s h LEU 81 Cb 0.57 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 2e5s h LEU 81 CO -0.77 0.08 1.07 0.00 0.09 0.00 0.00 178.44 178.91 2e5s n GLN 82 N -5.09 -0.01 0.02 1.13 6.02 0.96 0.50 117.38 120.89 2e5s n GLN 82 Ca -0.09 1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.86 2e5s n GLN 82 Cb 0.27 -2.25 -0.07 0.00 1.02 0.00 0.00 30.24 29.21 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 1.15 -0.15 -0.79 -1.58 0.00 -1.19 -2.86 119.26 113.83 2e5s h ALA 83 Ca 0.83 -0.23 0.32 0.00 0.00 0.00 0.00 54.91 55.83 2e5s h ALA 83 Cb 3.03 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 20.74 2e5s h ALA 83 CO -0.20 -0.19 0.37 1.63 0.00 0.00 0.00 179.25 180.86 2e5s n LYS 84 N -4.84 -0.05 0.06 0.00 5.02 0.18 0.18 118.16 118.71 2e5s n LYS 84 Ca -0.06 1.11 -0.20 0.00 -2.02 0.00 0.00 58.31 57.13 2e5s n LYS 84 Cb 0.25 -1.96 -0.13 0.00 -0.02 0.00 0.00 35.03 33.17 2e5s n LYS 84 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2e5s h ILE 85 N 0.00 1.38 -0.55 -0.18 5.03 -1.59 -3.32 117.51 118.28 2e5s h ILE 85 Ca 0.65 -2.37 0.07 0.00 -0.12 0.00 0.00 64.86 63.09 2e5s h ILE 85 Cb 1.68 2.79 -0.06 0.00 -3.03 0.00 0.00 36.82 38.20 2e5s h ILE 85 CO -0.63 0.70 0.23 0.11 -0.68 0.00 0.00 178.15 177.88 2e5s h LYS 86 N 0.01 0.43 -0.80 2.37 1.57 0.22 -2.49 116.57 117.87 2e5s h LYS 86 Ca -0.14 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2e5s h LYS 86 Cb 1.67 -0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.75 2e5s h LYS 86 CO 0.18 0.28 -0.32 0.00 -0.57 0.00 0.00 179.45 179.02 2e5s h ALA 87 N 1.35 0.18 -0.49 3.86 0.00 -1.00 0.84 119.26 124.01 2e5s h ALA 87 Ca 0.26 0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.52 2e5s h ALA 87 Cb 0.26 0.83 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2e5s h ALA 87 CO -0.24 -0.59 -0.24 0.00 0.00 0.00 0.00 179.25 178.19 2e5s h ALA 88 N 1.35 0.08 0.66 0.00 0.00 -1.58 0.39 119.26 120.16 2e5s h ALA 88 Ca 0.32 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2e5s h ALA 88 Cb 0.59 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2e5s h ALA 88 CO -0.84 -0.59 -0.46 1.96 0.00 0.00 0.00 179.25 179.33 2e5s h GLN 89 N -0.14 -1.02 0.11 0.00 7.50 -0.91 -3.27 115.11 117.37 2e5s h GLN 89 Ca 0.22 0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.44 2e5s h GLN 89 Cb 0.49 0.23 -0.01 0.00 0.05 0.00 0.00 27.48 28.24 2e5s h GLN 89 CO -0.57 -0.68 -0.14 1.25 -1.50 0.00 0.00 178.83 177.19 2e5s h HIS 90 N -1.06 -0.38 -2.59 2.96 2.76 -0.71 -3.39 115.15 112.74 2e5s h HIS 90 Ca -0.08 0.00 -0.55 0.00 -2.20 0.00 0.00 60.37 57.54 2e5s h HIS 90 Cb 0.87 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2e5s h HIS 90 CO -0.14 -0.17 1.13 -0.65 -1.30 0.00 0.00 177.93 176.79 2e5s s GLN 91 N -3.74 4.03 0.09 5.26 1.11 0.13 -4.98 119.66 121.57 2e5s s GLN 91 Ca -0.05 2.09 -0.03 0.00 0.01 0.00 0.00 55.36 57.38 2e5s s GLN 91 Cb 0.01 -4.03 -0.03 0.00 -1.01 0.00 0.00 33.01 27.95 2e5s s GLN 91 CO 0.16 -1.02 0.08 0.00 0.01 0.00 0.00 175.29 174.51 2e5s s ALA 92 N 4.56 0.41 -0.02 6.09 0.00 -1.26 -4.62 121.76 126.91 2e5s s ALA 92 Ca 0.76 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2e5s s ALA 92 Cb -0.32 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2e5s s ALA 92 CO 0.31 -0.46 -0.02 -1.71 0.00 0.00 0.00 175.76 173.87 2e5s n ASN 93 N -0.02 0.54 -4.77 0.00 2.85 -1.26 -5.03 115.26 107.57 2e5s n ASN 93 Ca -0.11 0.02 -0.39 0.00 -0.11 0.00 0.00 54.58 53.99 2e5s n ASN 93 Cb 0.62 -0.05 -0.06 0.00 1.24 0.00 0.00 39.78 41.53 2e5s n ASN 93 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2e5s s GLN 94 N -2.03 4.29 0.17 1.20 -2.07 -1.26 -5.01 119.66 114.95 2e5s s GLN 94 Ca -0.03 0.70 -0.33 0.00 -1.82 0.00 0.00 55.36 53.89 2e5s s GLN 94 Cb 0.01 -3.34 -0.16 0.00 -1.09 0.00 0.00 33.01 28.43 2e5s s GLN 94 CO 0.03 0.39 1.07 0.00 -1.32 0.00 0.00 175.29 175.47 2e5s n ALA 95 N 2.68 -1.21 -2.63 2.60 0.00 -1.26 -4.88 120.51 115.81 2e5s n ALA 95 Ca -0.07 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2e5s n ALA 95 Cb 0.51 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.33 3.56 0.15 0.00 0.00 -1.26 -4.98 121.76 118.89 2e5s s ALA 96 Ca 0.73 -0.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 2e5s s ALA 96 Cb -0.88 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 18.61 2e5s s ALA 96 CO 0.54 -1.24 0.78 0.28 0.00 0.00 0.00 175.76 176.11 2e5s n VAL 97 N 5.58 1.36 -0.32 0.00 0.31 -1.26 -5.28 118.33 118.72 2e5s n VAL 97 Ca 0.08 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2e5s n VAL 97 Cb 0.47 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51