#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5s h SER 2 N 0.00 0.53 -5.12 1.61 4.64 -2.10 -3.48 113.55 109.64 2e5s h SER 2 Ca 0.00 -0.49 -0.33 0.00 -0.47 0.00 0.00 61.79 60.50 2e5s h SER 2 Cb 0.00 -0.15 0.12 0.00 -0.31 0.00 0.00 62.40 62.06 2e5s h SER 2 CO 0.00 0.91 -0.59 -0.24 -0.87 0.00 0.00 176.83 176.04 2e5s n SER 3 N -4.43 -5.11 0.00 4.97 2.88 -1.26 -4.69 113.62 105.98 2e5s n SER 3 Ca -0.05 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 2e5s n SER 3 Cb 0.41 -4.37 0.00 0.00 -0.75 0.00 0.00 64.21 59.50 2e5s n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5s n GLY 4 N -1.67 1.14 0.42 0.46 0.00 -1.26 -5.05 105.19 99.23 2e5s n GLY 4 Ca -0.04 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 2e5s n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2e5s h SER 5 N 0.00 -0.87 -3.59 1.61 0.87 -2.01 -3.47 113.55 106.09 2e5s h SER 5 Ca 0.00 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 2e5s h SER 5 Cb 0.00 0.23 -0.25 0.00 -0.44 0.00 0.00 62.40 61.94 2e5s h SER 5 CO 0.00 -0.62 0.53 -0.94 -0.53 0.00 0.00 176.83 175.27 2e5s s SER 6 N -4.29 -0.38 -0.30 6.23 1.04 -1.26 -5.06 113.70 109.67 2e5s s SER 6 Ca -0.18 0.59 0.08 0.00 0.48 0.00 0.00 55.95 56.92 2e5s s SER 6 Cb 0.03 0.55 0.46 0.00 0.10 0.00 0.00 66.02 67.16 2e5s s SER 6 CO 0.61 -0.23 1.18 0.61 0.98 0.00 0.00 173.24 176.38 2e5s n GLY 7 N 1.44 6.03 0.35 7.32 0.00 -1.26 -4.86 105.19 114.21 2e5s n GLY 7 Ca -0.11 -2.56 -0.09 0.00 0.00 0.00 0.00 46.02 43.25 2e5s n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2e5s h SER 8 N 2.25 -1.12 -3.60 1.61 0.87 -2.03 -3.37 113.55 108.15 2e5s h SER 8 Ca 0.33 0.18 -0.65 0.00 -1.23 0.00 0.00 61.79 60.41 2e5s h SER 8 Cb 1.46 0.50 -0.24 0.00 -0.44 0.00 0.00 62.40 63.68 2e5s h SER 8 CO 0.73 -0.35 -0.64 0.28 -0.53 0.00 0.00 176.83 176.32 2e5s s THR 9 N -5.97 4.14 -1.00 2.23 -1.32 -1.26 -5.04 115.64 107.42 2e5s s THR 9 Ca -0.15 -0.29 -0.19 0.00 -1.21 0.00 0.00 61.69 59.85 2e5s s THR 9 Cb 0.12 -2.96 0.11 0.00 -1.51 0.00 0.00 72.50 68.26 2e5s s THR 9 CO 0.66 0.31 1.27 0.00 -2.21 0.00 0.00 174.62 174.66 2e5s s ALA 10 N 1.58 3.28 -0.29 11.08 0.00 -1.26 -4.90 121.76 131.25 2e5s s ALA 10 Ca 0.06 -2.72 -0.19 0.00 0.00 0.00 0.00 51.96 49.11 2e5s s ALA 10 Cb -0.15 -4.21 0.16 0.00 0.00 0.00 0.00 23.12 18.92 2e5s s ALA 10 CO 0.03 -3.13 1.12 -0.08 0.00 0.00 0.00 175.76 173.69 2e5s s THR 11 N 3.20 0.00 0.88 0.00 -1.32 -1.26 -5.17 115.64 111.96 2e5s s THR 11 Ca 0.38 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.74 2e5s s THR 11 Cb -0.03 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.08 2e5s s THR 11 CO -0.08 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.45 2e5s s GLN 12 N 0.87 1.43 -0.47 7.08 0.00 -1.26 -5.04 119.66 122.27 2e5s s GLN 12 Ca -0.04 0.44 0.03 0.00 -0.00 0.00 0.00 55.36 55.79 2e5s s GLN 12 Cb -0.04 -1.86 0.12 0.00 0.00 0.00 0.00 33.01 31.24 2e5s s GLN 12 CO -0.12 -2.03 0.21 0.15 0.00 0.00 0.00 175.29 173.49 2e5s s LYS 13 N -5.20 1.87 0.15 9.60 1.02 -1.26 -5.06 119.74 120.86 2e5s s LYS 13 Ca 0.63 -2.35 -0.24 0.00 0.02 0.00 0.00 55.97 54.03 2e5s s LYS 13 Cb -0.15 -3.33 0.08 0.00 -0.52 0.00 0.00 37.83 33.91 2e5s s LYS 13 CO 0.54 -1.06 1.06 -0.48 -0.92 0.00 0.00 175.35 174.49 2e5s s LEU 14 N 0.15 -0.04 -0.23 3.17 0.05 -1.26 -5.18 118.68 115.34 2e5s s LEU 14 Ca 0.15 -0.54 -0.15 0.00 0.05 0.00 0.00 54.13 53.64 2e5s s LEU 14 Cb -0.23 2.00 0.07 0.00 -2.05 0.00 0.00 46.19 45.97 2e5s s LEU 14 CO -0.03 -0.87 0.59 -1.48 -0.55 0.00 0.00 176.35 174.01 2e5s s LEU 15 N -3.29 -0.54 0.42 1.48 2.34 -1.26 -5.18 118.68 112.66 2e5s s LEU 15 Ca 0.19 1.26 0.07 0.00 0.06 0.00 0.00 54.13 55.72 2e5s s LEU 15 Cb -0.02 2.01 -0.05 0.00 -0.56 0.00 0.00 46.19 47.57 2e5s s LEU 15 CO 0.03 -0.22 0.15 -0.13 -1.06 0.00 0.00 176.35 175.13 2e5s s ARG 16 N 1.23 2.18 0.00 1.48 0.52 -1.26 -5.05 118.95 118.05 2e5s s ARG 16 Ca -0.07 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 2e5s s ARG 16 Cb -0.06 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2e5s s ARG 16 CO -0.13 -0.12 0.00 -2.37 0.02 0.00 0.00 175.30 172.70 2e5s n THR 17 N -1.20 0.00 -1.28 0.02 5.66 -1.26 -4.76 114.28 111.46 2e5s n THR 17 Ca -0.02 -0.16 -0.24 0.00 -3.05 0.00 0.00 64.05 60.58 2e5s n THR 17 Cb 0.65 0.64 -0.02 0.00 -1.55 0.00 0.00 70.33 70.04 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 -1.03 6.51 -3.84 1.09 5.75 -1.26 -4.83 116.55 118.95 2e5s n ASP 18 Ca 0.00 -3.18 -0.27 0.00 -0.01 0.00 0.00 54.79 51.33 2e5s n ASP 18 Cb 0.00 -1.17 -0.17 0.00 -1.03 0.00 0.00 41.12 38.76 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 -1.81 1.16 -0.21 0.11 -2.85 -1.26 -1.08 119.74 113.80 2e5s s LYS 19 Ca 0.50 -0.37 -0.07 0.00 -1.00 0.00 0.00 55.97 55.03 2e5s s LYS 19 Cb 0.34 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 34.26 2e5s s LYS 19 CO -0.14 -0.43 0.05 -0.51 0.10 0.00 0.00 175.35 174.41 2e5s s LEU 20 N 1.74 3.51 -0.31 2.77 1.43 -0.33 -4.91 118.68 122.58 2e5s s LEU 20 Ca 0.01 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2e5s s LEU 20 Cb -0.15 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 2e5s s LEU 20 CO -0.07 0.07 1.52 -1.61 0.23 0.00 0.00 176.35 176.49 2e5s s GLU 21 N 1.00 3.68 0.24 1.70 2.02 -1.26 -1.13 118.70 124.94 2e5s s GLU 21 Ca 0.03 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.05 2e5s s GLU 21 Cb -0.14 -4.03 -0.10 0.00 0.10 0.00 0.00 34.13 29.96 2e5s s GLU 21 CO 0.03 -1.43 1.43 0.08 0.02 0.00 0.00 175.26 175.38 2e5s s VAL 22 N 5.38 2.73 0.67 2.63 1.01 -0.82 -2.92 120.40 129.08 2e5s s VAL 22 Ca 0.67 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 2e5s s VAL 22 Cb -0.20 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.80 2e5s s VAL 22 CO 0.30 0.09 1.20 0.00 0.00 0.00 0.00 175.10 176.69 2e5s n ARG 24 N -2.25 0.73 0.26 0.00 5.12 -1.26 -4.14 116.66 115.12 2e5s n ARG 24 Ca 0.13 0.26 -0.11 0.00 -1.93 0.00 0.00 57.85 56.20 2e5s n ARG 24 Cb 0.50 -1.68 -0.05 0.00 -1.16 0.00 0.00 32.46 30.08 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e5s h GLU 25 N -0.01 -0.66 -0.80 5.56 3.07 -1.96 -3.22 114.58 116.55 2e5s h GLU 25 Ca -0.45 0.05 0.14 0.00 -0.50 0.00 0.00 59.36 58.59 2e5s h GLU 25 Cb 1.97 0.15 -0.14 0.00 -0.84 0.00 0.00 28.75 29.89 2e5s h GLU 25 CO 0.04 -0.44 -0.26 0.34 -1.40 0.00 0.00 179.01 177.28 2e5s n PHE 26 N -4.27 0.15 -0.31 4.33 -0.00 -1.26 0.14 117.46 116.25 2e5s n PHE 26 Ca -0.09 0.98 -0.01 0.00 -0.00 0.00 0.00 57.45 58.34 2e5s n PHE 26 Cb 0.27 -0.88 0.03 0.00 -0.00 0.00 0.00 39.48 38.90 2e5s n PHE 26 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2e5s n GLN 27 N -5.24 -0.19 0.15 -4.13 6.02 -1.22 0.16 117.38 112.92 2e5s n GLN 27 Ca 0.10 1.22 0.11 0.00 -0.01 0.00 0.00 57.00 58.43 2e5s n GLN 27 Cb 0.36 -1.81 0.06 0.00 1.02 0.00 0.00 30.24 29.87 2e5s n GLN 27 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2e5s h ARG 28 N 0.00 0.00 -0.07 -1.09 0.11 -0.41 -3.48 114.38 109.44 2e5s h ARG 28 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 2e5s h ARG 28 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2e5s h ARG 28 CO -0.79 0.02 0.00 0.41 0.10 0.00 0.00 179.97 179.71 2e5s n GLY 29 N 1.16 0.57 0.02 0.08 0.00 0.41 -5.04 105.19 102.40 2e5s n GLY 29 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.02 3.93 -4.70 1.61 4.13 -0.99 -4.92 115.26 114.29 2e5s n ASN 30 Ca 0.00 -0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 2e5s n ASN 30 Cb 0.02 0.55 -0.03 0.00 -1.54 0.00 0.00 39.78 38.77 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 4.54 2.12 0.23 0.00 0.00 -1.26 -4.37 120.51 121.77 2e5s n ALA 32 Ca 0.17 -0.76 0.09 0.00 0.00 0.00 0.00 53.44 52.94 2e5s n ALA 32 Cb 0.35 -0.35 0.56 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.94 0.00 3.08 -1.90 -3.48 114.38 109.14 2e5s h ARG 33 Ca -0.23 0.00 0.32 0.00 0.07 0.00 0.00 59.98 60.15 2e5s h ARG 33 Cb 1.42 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.34 2e5s h ARG 33 CO 0.01 0.22 -0.81 0.41 -1.07 0.00 0.00 179.97 178.73 2e5s n GLY 34 N -0.39 -2.61 0.01 0.04 0.00 -1.26 -0.40 105.19 100.58 2e5s n GLY 34 Ca -0.01 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 44.87 2e5s n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2e5s n GLU 35 N -4.08 0.01 -0.06 1.61 0.28 -1.26 0.72 120.64 117.85 2e5s n GLU 35 Ca -0.04 0.49 -0.04 0.00 -0.16 0.00 0.00 57.16 57.42 2e5s n GLU 35 Cb 0.59 -1.55 -0.02 0.00 1.43 0.00 0.00 31.44 31.88 2e5s n GLU 35 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2e5s h THR 36 N 0.00 0.17 -0.19 3.84 1.35 -1.92 -3.37 112.91 112.79 2e5s h THR 36 Ca 0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2e5s h THR 36 Cb 0.04 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 2e5s h THR 36 CO 0.00 0.06 0.00 -0.67 -0.25 0.00 0.00 175.52 174.66 2e5s n ASP 37 N -4.68 1.76 -4.38 5.36 2.03 0.46 -4.83 116.55 112.27 2e5s n ASP 37 Ca -0.05 -1.74 -0.33 0.00 0.52 0.00 0.00 54.79 53.19 2e5s n ASP 37 Cb 0.18 -0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.31 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 6.43 0.37 -6.75 0.00 3.08 -1.86 -3.42 114.38 112.23 2e5s h ARG 39 Ca -0.29 -0.15 -0.51 0.00 0.07 0.00 0.00 59.98 59.10 2e5s h ARG 39 Cb 1.20 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.25 2e5s h ARG 39 CO 0.54 0.64 0.49 -0.06 -1.07 0.00 0.00 179.97 180.51 2e5s s PHE 40 N -4.37 3.57 0.32 3.04 0.08 -1.26 -4.93 117.98 114.42 2e5s s PHE 40 Ca -0.06 1.64 -0.28 0.00 0.12 0.00 0.00 56.93 58.35 2e5s s PHE 40 Cb 0.14 -3.30 -0.09 0.00 -0.57 0.00 0.00 43.02 39.19 2e5s s PHE 40 CO 0.78 -0.64 1.13 0.00 -0.10 0.00 0.00 175.22 176.38 2e5s s ALA 41 N -0.78 3.33 -0.43 5.36 0.00 -1.15 -4.63 121.76 123.46 2e5s s ALA 41 Ca 0.47 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 2e5s s ALA 41 Cb -0.31 -3.34 0.11 0.00 0.00 0.00 0.00 23.12 19.57 2e5s s ALA 41 CO 0.39 -0.28 0.26 -1.01 0.00 0.00 0.00 175.76 175.12 2e5s s HIS 42 N -1.27 3.50 -0.40 0.00 3.76 -1.26 -2.41 115.29 117.21 2e5s s HIS 42 Ca 0.49 -2.12 -0.28 0.00 -0.15 0.00 0.00 55.06 53.00 2e5s s HIS 42 Cb -0.31 -3.30 -0.01 0.00 1.11 0.00 0.00 32.58 30.07 2e5s s HIS 42 CO 0.40 -0.97 1.73 -1.25 -0.85 0.00 0.00 174.74 173.80 2e5s s PRO 43 N 1.26 3.25 0.12 8.40 0.04 -1.26 -4.88 135.00 141.92 2e5s s PRO 43 Ca 0.07 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2e5s s PRO 43 Cb -0.24 -4.20 -0.03 0.00 0.04 0.00 0.00 34.50 30.07 2e5s s PRO 43 CO -0.02 -1.96 1.57 0.00 0.04 0.00 0.00 177.00 176.63 2e5s h ALA 44 N 12.82 0.51 -0.21 8.56 0.00 -2.02 -3.14 119.26 135.77 2e5s h ALA 44 Ca -0.31 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 2e5s h ALA 44 Cb 1.15 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2e5s h ALA 44 CO 1.08 0.27 -0.69 -0.44 0.00 0.00 0.00 179.25 179.47 2e5s h ASP 45 N 0.49 0.97 -5.74 0.00 3.32 -2.05 -3.48 116.42 109.92 2e5s h ASP 45 Ca 0.11 -0.59 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 2e5s h ASP 45 Cb 0.44 -0.28 0.15 0.00 0.22 0.00 0.00 39.33 39.86 2e5s h ASP 45 CO 0.02 1.39 -0.78 -1.20 -1.72 0.00 0.00 179.24 176.95 2e5s n SER 46 N -3.97 -1.89 0.00 6.45 7.64 -1.19 -4.91 113.62 115.75 2e5s n SER 46 Ca -0.06 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2e5s n SER 46 Cb 0.70 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 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 -4.17 0.00 -0.93 0.44 -1.04 -1.26 -4.75 114.28 102.57 2e5s n THR 47 Ca -0.29 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.55 2e5s n THR 47 Cb 0.67 -0.46 0.03 0.00 -1.82 0.00 0.00 70.33 68.74 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 -2.20 1.83 -4.45 -2.82 2.81 -1.26 -4.88 117.12 106.15 2e5s n MET 48 Ca 0.00 -1.57 -0.34 0.00 -1.81 0.00 0.00 57.70 53.98 2e5s n MET 48 Cb 0.40 -1.64 -0.12 0.00 -0.71 0.00 0.00 33.22 31.14 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 -2.18 3.83 -0.24 2.02 1.01 -1.26 -4.68 121.20 119.71 2e5s s ILE 49 Ca 0.33 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 2e5s s ILE 49 Cb 0.25 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2e5s s ILE 49 CO -0.02 0.51 0.28 -0.62 0.00 0.00 0.00 174.94 175.08 2e5s s ASP 50 N 0.21 6.23 0.00 3.58 2.15 -1.26 -4.94 116.67 122.64 2e5s s ASP 50 Ca -0.03 0.26 0.12 0.00 0.43 0.00 0.00 52.55 53.33 2e5s s ASP 50 Cb -0.14 -2.17 0.69 0.00 -0.30 0.00 0.00 42.92 41.00 2e5s s ASP 50 CO 0.03 -0.04 1.28 0.35 -0.17 0.00 0.00 175.17 176.62 2e5s n THR 51 N 4.54 0.00 -0.07 1.71 -2.24 -1.26 0.89 114.28 117.85 2e5s n THR 51 Ca -0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.48 2e5s n THR 51 Cb 0.51 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.73 1.95 0.00 3.42 2.88 -1.26 -4.74 113.62 115.14 2e5s n SER 52 Ca 0.09 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2e5s n SER 52 Cb 0.04 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 -3.33 4.29 -1.57 -3.46 8.00 -1.17 -5.05 116.55 114.27 2e5s n ASP 53 Ca -0.39 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.03 2e5s n ASP 53 Cb 1.02 0.36 0.03 0.00 -0.02 0.00 0.00 41.12 42.50 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2e5s n ASN 54 N -1.95 -3.14 -4.17 -2.24 5.15 0.26 -4.97 115.26 104.19 2e5s n ASN 54 Ca 0.00 -0.18 -0.21 0.00 -0.60 0.00 0.00 54.58 53.59 2e5s n ASN 54 Cb 0.45 -1.99 -0.13 0.00 -0.53 0.00 0.00 39.78 37.58 2e5s n ASN 54 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2e5s s THR 55 N -3.11 1.23 0.06 -0.44 -4.23 -1.26 -1.95 115.64 105.95 2e5s s THR 55 Ca 0.15 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 2e5s s THR 55 Cb -0.07 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 2e5s s THR 55 CO 0.24 0.01 -0.09 0.68 -0.54 0.00 0.00 174.62 174.92 2e5s s VAL 56 N -0.90 3.47 0.64 2.29 -7.23 -0.28 -4.31 120.40 114.08 2e5s s VAL 56 Ca 0.02 -1.07 -0.16 0.00 -1.81 0.00 0.00 61.98 58.96 2e5s s VAL 56 Cb -0.08 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2e5s s VAL 56 CO 0.02 0.23 1.14 -0.89 -0.31 0.00 0.00 175.10 175.28 2e5s s THR 57 N -1.12 3.03 -0.13 5.32 2.01 -1.26 -1.18 115.64 122.31 2e5s s THR 57 Ca 0.20 0.53 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2e5s s THR 57 Cb -0.11 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 2e5s s THR 57 CO 0.11 -0.25 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.90 2e5s s VAL 58 N -2.11 2.35 -0.38 3.82 1.01 -0.24 -2.45 120.40 122.39 2e5s s VAL 58 Ca 0.70 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 2e5s s VAL 58 Cb -0.23 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2e5s s VAL 58 CO 0.38 0.54 1.72 0.00 0.00 0.00 0.00 175.10 177.75 2e5s h MET 60 N 12.63 -0.55 -0.35 0.00 4.05 -1.98 -2.59 114.93 126.14 2e5s h MET 60 Ca -0.31 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.20 2e5s h MET 60 Cb 1.15 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.99 2e5s h MET 60 CO 1.07 -0.35 -0.45 -0.44 0.23 0.00 0.00 176.91 176.97 2e5s h ASP 61 N -0.59 -1.47 -0.60 1.39 5.19 -1.90 -1.26 116.42 117.18 2e5s h ASP 61 Ca -0.06 0.21 0.12 0.00 -0.62 0.00 0.00 57.03 56.68 2e5s h ASP 61 Cb 0.45 0.63 -0.12 0.00 0.18 0.00 0.00 39.33 40.47 2e5s h ASP 61 CO 0.10 -0.39 -0.20 0.22 -3.12 0.00 0.00 179.24 175.85 2e5s h TYR 62 N -0.37 -0.46 -0.89 4.55 3.20 -1.65 1.00 116.97 122.34 2e5s h TYR 62 Ca 0.12 0.06 0.24 0.00 3.14 0.00 0.00 58.73 62.28 2e5s h TYR 62 Cb 0.60 0.30 -0.13 0.00 1.54 0.00 0.00 36.73 39.03 2e5s h TYR 62 CO -0.61 -0.30 0.32 0.82 -1.64 0.00 0.00 178.16 176.75 2e5s h ILE 63 N -0.05 0.38 0.00 1.81 1.08 -0.83 1.04 117.51 120.94 2e5s h ILE 63 Ca 0.28 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.62 2e5s h ILE 63 Cb 0.48 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2e5s h ILE 63 CO -0.64 0.05 -0.14 0.11 -0.69 0.00 0.00 178.15 176.84 2e5s h LYS 64 N 0.29 0.00 0.00 2.37 1.57 -0.48 -3.46 116.57 116.85 2e5s h LYS 64 Ca 0.57 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 2e5s h LYS 64 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2e5s h LYS 64 CO -0.60 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 178.83 2e5s n GLY 65 N -0.83 1.89 2.99 3.86 0.00 0.36 -5.07 105.19 108.38 2e5s n GLY 65 Ca -0.02 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 1.09 0.00 0.00 0.00 173.32 174.41 2e5s s ARG 66 N 0.00 1.83 -0.38 1.61 1.70 -1.20 -4.94 118.95 117.57 2e5s s ARG 66 Ca 0.00 -1.22 -0.03 0.00 -0.47 0.00 0.00 55.73 54.01 2e5s s ARG 66 Cb 0.00 -2.75 0.09 0.00 -0.57 0.00 0.00 34.95 31.72 2e5s s ARG 66 CO 0.00 -0.63 0.16 0.00 -1.08 0.00 0.00 175.30 173.75 2e5s n MET 68 N 4.61 0.56 -0.53 0.00 0.00 -1.26 -4.94 117.12 115.56 2e5s n MET 68 Ca -0.05 -2.33 -0.29 0.00 0.00 0.00 0.00 57.70 55.03 2e5s n MET 68 Cb 0.42 -0.63 0.23 0.00 0.00 0.00 0.00 33.22 33.25 2e5s n MET 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2e5s s ARG 69 N -1.15 -0.50 -0.50 3.17 0.52 -1.26 -4.89 118.95 114.34 2e5s s ARG 69 Ca 0.32 1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 56.33 2e5s s ARG 69 Cb 0.34 -1.58 0.02 0.00 0.52 0.00 0.00 34.95 34.24 2e5s s ARG 69 CO -0.11 -3.51 1.29 -2.00 0.02 0.00 0.00 175.30 170.99 2e5s s GLU 70 N -4.47 3.53 -1.36 3.54 2.56 -1.26 -3.68 118.70 117.56 2e5s s GLU 70 Ca 0.68 0.57 -0.05 0.00 0.00 0.00 0.00 54.97 56.18 2e5s s GLU 70 Cb -0.25 -4.02 0.02 0.00 2.00 0.00 0.00 34.13 31.89 2e5s s GLU 70 CO 0.63 -1.63 0.91 1.63 -0.56 0.00 0.00 175.26 176.24 2e5s n LYS 71 N 8.24 -5.90 -1.30 4.30 4.01 -1.26 -4.74 118.16 121.50 2e5s n LYS 71 Ca 0.13 0.69 -0.52 0.00 -0.51 0.00 0.00 58.31 58.10 2e5s n LYS 71 Cb 0.49 -5.50 -0.08 0.00 -0.51 0.00 0.00 35.03 29.42 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2e5s n LYS 73 N 3.48 3.20 -4.32 0.00 2.85 -1.26 -5.05 118.16 117.05 2e5s n LYS 73 Ca 0.27 -4.17 -0.18 0.00 -1.05 0.00 0.00 58.31 53.17 2e5s n LYS 73 Cb -0.04 -2.13 -0.10 0.00 -0.65 0.00 0.00 35.03 32.10 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 -3.56 1.64 0.41 5.58 2.02 -1.26 -5.00 117.35 117.19 2e5s s TYR 74 Ca 0.46 -0.58 -0.24 0.00 -0.37 0.00 0.00 57.07 56.33 2e5s s TYR 74 Cb 0.40 -0.78 -0.08 0.00 -0.40 0.00 0.00 41.96 41.10 2e5s s TYR 74 CO -0.05 0.31 1.14 0.12 -1.57 0.00 0.00 175.55 175.50 2e5s s PHE 75 N -2.84 3.07 -0.37 2.71 5.36 -1.03 -4.78 117.98 120.11 2e5s s PHE 75 Ca 0.20 1.57 -0.02 0.00 -0.96 0.00 0.00 56.93 57.72 2e5s s PHE 75 Cb -0.01 -3.34 0.09 0.00 -0.34 0.00 0.00 43.02 39.42 2e5s s PHE 75 CO 0.06 -1.22 0.13 -1.01 -1.46 0.00 0.00 175.22 171.72 2e5s s HIS 76 N -1.49 3.49 0.78 10.12 3.76 -1.26 -3.06 115.29 127.62 2e5s s HIS 76 Ca 0.59 -2.23 -0.11 0.00 -0.15 0.00 0.00 55.06 53.16 2e5s s HIS 76 Cb -0.28 -2.82 0.06 0.00 1.11 0.00 0.00 32.58 30.65 2e5s s HIS 76 CO 0.35 -0.91 1.09 -1.25 -0.85 0.00 0.00 174.74 173.18 2e5s s PRO 77 N 1.17 2.21 1.24 8.40 0.04 -1.26 -5.05 135.00 141.75 2e5s s PRO 77 Ca 0.04 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 2e5s s PRO 77 Cb -0.21 -1.89 0.31 0.00 0.04 0.00 0.00 34.50 32.74 2e5s s PRO 77 CO -0.03 -1.67 1.10 -0.35 0.04 0.00 0.00 177.00 176.08 2e5s n PRO 78 N -3.54 -3.16 0.20 0.56 -0.04 -1.26 -4.64 135.00 123.11 2e5s n PRO 78 Ca 0.09 -1.75 -0.08 0.00 -0.04 0.00 0.00 63.50 61.72 2e5s n PRO 78 Cb 0.53 -1.64 -0.04 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.75 -1.08 -0.97 0.55 0.00 -1.97 0.20 119.26 113.25 2e5s h ALA 79 Ca -0.41 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.56 2e5s h ALA 79 Cb 1.26 0.20 -0.17 0.00 0.00 0.00 0.00 17.79 19.08 2e5s h ALA 79 CO 0.27 -1.04 -0.32 -2.39 0.00 0.00 0.00 179.25 175.77 2e5s n HIS 80 N -3.43 0.17 0.39 0.00 1.44 -1.26 -1.08 115.22 111.46 2e5s n HIS 80 Ca -0.06 1.19 -0.17 0.00 -2.01 0.00 0.00 57.72 56.67 2e5s n HIS 80 Cb 0.20 -0.95 -0.08 0.00 0.12 0.00 0.00 29.99 29.27 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 -0.85 -0.81 2.39 3.38 -1.92 -2.71 115.31 114.79 2e5s h LEU 81 Ca 0.40 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.69 2e5s h LEU 81 Cb 0.64 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 2e5s h LEU 81 CO -0.98 -0.52 0.47 0.00 0.09 0.00 0.00 178.44 177.49 2e5s n GLN 82 N -5.47 -0.04 0.08 1.13 6.02 0.71 0.77 117.38 120.58 2e5s n GLN 82 Ca -0.13 0.97 -0.10 0.00 -0.01 0.00 0.00 57.00 57.73 2e5s n GLN 82 Cb 0.41 -1.79 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 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 -0.28 -0.84 -1.58 0.00 -1.18 -2.70 119.26 114.02 2e5s h ALA 83 Ca 0.62 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.65 2e5s h ALA 83 Cb 1.76 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.51 2e5s h ALA 83 CO -0.49 -0.33 0.31 1.63 0.00 0.00 0.00 179.25 180.37 2e5s n LYS 84 N -4.97 -0.06 -0.02 0.00 5.02 0.23 0.52 118.16 118.89 2e5s n LYS 84 Ca -0.07 1.19 -0.13 0.00 -2.02 0.00 0.00 58.31 57.29 2e5s n LYS 84 Cb 0.24 -2.06 -0.10 0.00 -0.02 0.00 0.00 35.03 33.09 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 1.41 -0.43 -0.18 5.03 -1.51 -3.28 117.51 118.56 2e5s h ILE 85 Ca 0.65 -1.56 0.08 0.00 -0.12 0.00 0.00 64.86 63.91 2e5s h ILE 85 Cb 1.62 2.43 -0.09 0.00 -3.03 0.00 0.00 36.82 37.74 2e5s h ILE 85 CO -0.70 0.39 -0.36 0.11 -0.68 0.00 0.00 178.15 176.91 2e5s h LYS 86 N -0.74 -0.25 -0.86 2.37 1.57 0.42 -0.20 116.57 118.87 2e5s h LYS 86 Ca -0.00 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.02 2e5s h LYS 86 Cb 0.67 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 32.88 2e5s h LYS 86 CO 0.01 -0.17 0.11 0.00 -0.57 0.00 0.00 179.45 178.83 2e5s h ALA 87 N 0.70 1.08 -0.42 3.86 0.00 -1.16 0.14 119.26 123.46 2e5s h ALA 87 Ca 0.17 0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.42 2e5s h ALA 87 Cb 0.55 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2e5s h ALA 87 CO -0.57 -0.48 -0.34 0.00 0.00 0.00 0.00 179.25 177.86 2e5s h ALA 88 N 1.81 -0.20 0.70 0.00 0.00 -1.08 -2.54 119.26 117.95 2e5s h ALA 88 Ca 0.52 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 2e5s h ALA 88 Cb 1.01 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 2e5s h ALA 88 CO -0.72 -0.74 -0.41 1.96 0.00 0.00 0.00 179.25 179.34 2e5s h GLN 89 N -0.25 -1.00 -6.40 0.00 7.50 -0.93 -3.38 115.11 110.65 2e5s h GLN 89 Ca 0.17 0.07 -0.55 0.00 0.50 0.00 0.00 58.65 58.85 2e5s h GLN 89 Cb 0.55 0.23 -0.06 0.00 0.05 0.00 0.00 27.48 28.25 2e5s h GLN 89 CO -0.56 -0.66 1.11 -1.58 -1.50 0.00 0.00 178.83 175.64 2e5s s HIS 90 N -6.00 2.25 -0.13 2.96 2.46 -0.83 -4.93 115.29 111.07 2e5s s HIS 90 Ca -0.18 0.51 -0.38 0.00 0.47 0.00 0.00 55.06 55.48 2e5s s HIS 90 Cb 0.04 -4.37 -0.18 0.00 -0.13 0.00 0.00 32.58 27.94 2e5s s HIS 90 CO 0.61 -2.02 1.10 1.04 -2.47 0.00 0.00 174.74 173.00 2e5s n GLN 91 N 8.62 0.00 -3.83 2.88 6.02 -1.26 -4.72 117.38 125.10 2e5s n GLN 91 Ca 0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.05 2e5s n GLN 91 Cb 0.49 -1.34 0.01 0.00 1.02 0.00 0.00 30.24 30.42 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5s s ALA 92 N 0.80 -0.96 0.36 -1.58 0.00 -1.26 -5.09 121.76 114.03 2e5s s ALA 92 Ca 0.85 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 2e5s s ALA 92 Cb -1.20 0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 2e5s s ALA 92 CO 0.58 -1.01 0.68 -0.80 0.00 0.00 0.00 175.76 175.21 2e5s s ASN 93 N -3.04 6.49 0.13 0.00 -0.87 -1.26 -5.08 114.94 111.32 2e5s s ASN 93 Ca 0.14 0.97 0.03 0.00 -1.57 0.00 0.00 52.86 52.43 2e5s s ASN 93 Cb -0.05 -2.25 -0.04 0.00 -0.02 0.00 0.00 41.25 38.89 2e5s s ASN 93 CO 0.09 -0.32 0.20 -1.58 -2.57 0.00 0.00 177.10 172.93 2e5s s GLN 94 N -3.72 3.19 0.77 -0.60 0.74 -1.26 -5.12 119.66 113.67 2e5s s GLN 94 Ca 0.48 -0.67 -0.08 0.00 0.05 0.00 0.00 55.36 55.14 2e5s s GLN 94 Cb -0.10 -2.84 0.11 0.00 1.10 0.00 0.00 33.01 31.27 2e5s s GLN 94 CO 0.31 0.53 1.09 0.00 -0.55 0.00 0.00 175.29 176.67 2e5s s ALA 95 N -1.66 3.00 1.29 1.58 0.00 -1.26 -5.07 121.76 119.64 2e5s s ALA 95 Ca 0.33 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 2e5s s ALA 95 Cb -0.11 -2.57 0.32 0.00 0.00 0.00 0.00 23.12 20.76 2e5s s ALA 95 CO 0.26 -1.62 1.00 0.00 0.00 0.00 0.00 175.76 175.41 2e5s s ALA 96 N -3.40 -0.26 0.22 0.00 0.00 -1.26 -5.03 121.76 112.02 2e5s s ALA 96 Ca 0.64 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 2e5s s ALA 96 Cb -0.08 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2e5s s ALA 96 CO 0.47 -4.09 0.42 0.14 0.00 0.00 0.00 175.76 172.70 2e5s s VAL 97 N -2.54 5.17 -2.00 0.00 -7.23 -1.26 -5.34 120.40 107.20 2e5s s VAL 97 Ca 0.69 -0.26 0.24 0.00 -1.81 0.00 0.00 61.98 60.84 2e5s s VAL 97 Cb -0.15 -3.73 0.70 0.00 0.56 0.00 0.00 36.38 33.76 2e5s s VAL 97 CO 0.59 -0.19 1.82 0.00 -0.31 0.00 0.00 175.10 177.01