#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 -0.37 -0.24 1.61 0.15 -1.26 -5.18 113.70 108.42 2e5s s SER 2 Ca 0.00 0.64 -0.27 0.00 0.70 0.00 0.00 55.95 57.02 2e5s s SER 2 Cb 0.00 0.91 0.13 0.00 -1.71 0.00 0.00 66.02 65.34 2e5s s SER 2 CO 0.00 -0.11 1.04 -0.44 1.20 0.00 0.00 173.24 174.94 2e5s s SER 3 N 0.73 -0.40 0.00 5.45 0.01 -1.26 -5.12 113.70 113.11 2e5s s SER 3 Ca -0.02 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2e5s s SER 3 Cb -0.04 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2e5s s SER 3 CO -0.12 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2e5s n GLY 4 N 1.60 2.05 3.14 3.44 0.00 -1.26 -5.16 105.19 109.00 2e5s n GLY 4 Ca -0.11 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.23 0.14 1.61 0.15 -1.26 -5.16 113.70 108.95 2e5s s SER 5 Ca 0.00 0.71 -0.24 0.00 0.70 0.00 0.00 55.95 57.12 2e5s s SER 5 Cb 0.00 0.69 0.07 0.00 -1.71 0.00 0.00 66.02 65.07 2e5s s SER 5 CO 0.00 -0.20 0.62 -0.55 1.20 0.00 0.00 173.24 174.31 2e5s s SER 6 N 1.68 -0.57 0.00 5.45 0.15 -1.26 -5.15 113.70 114.01 2e5s s SER 6 Ca -0.07 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2e5s s SER 6 Cb -0.10 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2e5s s SER 6 CO -0.10 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.02 2e5s n GLY 7 N -0.28 3.59 3.82 9.45 0.00 -1.26 -5.18 105.19 115.32 2e5s n GLY 7 Ca -0.17 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -0.06 0.01 1.61 1.04 -1.26 -5.18 113.70 109.86 2e5s s SER 8 Ca 0.00 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.48 2e5s s SER 8 Cb 0.00 0.81 -0.01 0.00 0.10 0.00 0.00 66.02 66.92 2e5s s SER 8 CO 0.00 -1.58 -0.14 -0.89 0.98 0.00 0.00 173.24 171.61 2e5s s THR 9 N -2.80 1.08 0.17 2.02 2.01 -1.26 -5.15 115.64 111.71 2e5s s THR 9 Ca 0.14 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 2e5s s THR 9 Cb -0.05 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2e5s s THR 9 CO 0.10 0.20 0.15 0.00 -0.69 0.00 0.00 174.62 174.39 2e5s s ALA 10 N -0.49 0.75 -0.97 7.40 0.00 -1.26 -5.07 121.76 122.11 2e5s s ALA 10 Ca 0.04 -1.41 -0.25 0.00 0.00 0.00 0.00 51.96 50.34 2e5s s ALA 10 Cb -0.06 1.06 -0.10 0.00 0.00 0.00 0.00 23.12 24.02 2e5s s ALA 10 CO 0.00 -0.58 2.07 0.99 0.00 0.00 0.00 175.76 178.24 2e5s s THR 11 N -4.07 3.32 -0.73 0.00 2.01 -1.26 -4.87 115.64 110.05 2e5s s THR 11 Ca 0.28 -0.38 -0.26 0.00 0.31 0.00 0.00 61.69 61.64 2e5s s THR 11 Cb 0.06 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 2e5s s THR 11 CO 0.06 -0.63 2.32 -1.58 -0.69 0.00 0.00 174.62 174.09 2e5s s GLN 12 N 7.50 1.90 0.80 4.92 -0.44 -1.26 -4.92 119.66 128.16 2e5s s GLN 12 Ca 0.76 0.60 -0.14 0.00 -2.50 0.00 0.00 55.36 54.08 2e5s s GLN 12 Cb -0.06 -4.75 0.02 0.00 -1.64 0.00 0.00 33.01 26.58 2e5s s GLN 12 CO 0.07 -3.94 0.80 0.36 0.50 0.00 0.00 175.29 173.08 2e5s n LYS 13 N 8.89 0.17 -3.38 1.67 2.85 -1.26 -4.93 118.16 122.17 2e5s n LYS 13 Ca 0.42 0.11 -0.43 0.00 -1.05 0.00 0.00 58.31 57.36 2e5s n LYS 13 Cb 0.47 -2.10 -0.01 0.00 -0.65 0.00 0.00 35.03 32.74 2e5s n LYS 13 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2e5s n LEU 14 N -1.72 5.30 -4.79 -5.58 4.77 -1.26 -5.04 117.00 108.68 2e5s n LEU 14 Ca 0.11 -5.07 -0.36 0.00 -0.03 0.00 0.00 56.01 50.67 2e5s n LEU 14 Cb 0.51 -1.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.16 2e5s n LEU 14 CO 0.49 1.41 0.70 -1.48 -1.33 0.00 0.00 177.39 177.19 2e5s s LEU 15 N -1.39 4.10 -0.67 2.23 2.34 -1.26 -5.02 118.68 119.01 2e5s s LEU 15 Ca 0.30 1.92 0.02 0.00 0.06 0.00 0.00 54.13 56.44 2e5s s LEU 15 Cb -0.09 -4.26 0.17 0.00 -0.56 0.00 0.00 46.19 41.45 2e5s s LEU 15 CO -0.08 -0.43 0.47 -0.13 -1.06 0.00 0.00 176.35 175.12 2e5s s ARG 16 N -2.63 2.51 -0.12 1.48 0.52 -1.26 -4.85 118.95 114.60 2e5s s ARG 16 Ca 0.58 -2.96 0.19 0.00 -0.52 0.00 0.00 55.73 53.02 2e5s s ARG 16 Cb -0.18 -3.56 0.44 0.00 0.52 0.00 0.00 34.95 32.16 2e5s s ARG 16 CO 0.23 -1.21 1.18 -2.37 0.02 0.00 0.00 175.30 173.16 2e5s n THR 17 N 2.67 1.08 -2.03 0.02 5.66 -1.26 -4.86 114.28 115.57 2e5s n THR 17 Ca 0.13 -2.20 -0.35 0.00 -3.05 0.00 0.00 64.05 58.58 2e5s n THR 17 Cb 0.35 0.44 0.03 0.00 -1.55 0.00 0.00 70.33 69.60 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 -0.26 6.63 -3.68 1.09 5.68 -1.26 -4.92 116.55 119.83 2e5s n ASP 18 Ca 0.13 -3.80 -0.12 0.00 -0.50 0.00 0.00 54.79 50.50 2e5s n ASP 18 Cb 0.94 -0.85 -0.13 0.00 -1.14 0.00 0.00 41.12 39.94 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 -3.88 0.20 -0.21 0.11 -2.85 -1.26 -0.16 119.74 111.69 2e5s s LYS 19 Ca 0.52 0.73 -0.06 0.00 -1.00 0.00 0.00 55.97 56.16 2e5s s LYS 19 Cb 0.43 -0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 2e5s s LYS 19 CO -0.30 -0.24 0.03 -0.51 0.10 0.00 0.00 175.35 174.43 2e5s s LEU 20 N 2.08 3.41 -0.34 2.77 1.43 0.08 -4.92 118.68 123.19 2e5s s LEU 20 Ca -0.02 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2e5s s LEU 20 Cb -0.11 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2e5s s LEU 20 CO -0.09 0.06 1.66 -1.61 0.23 0.00 0.00 176.35 176.59 2e5s s GLU 21 N 1.07 3.47 0.17 1.70 2.02 -1.26 -0.96 118.70 124.89 2e5s s GLU 21 Ca 0.03 1.30 -0.32 0.00 0.02 0.00 0.00 54.97 56.01 2e5s s GLU 21 Cb -0.14 -4.12 -0.10 0.00 0.10 0.00 0.00 34.13 29.86 2e5s s GLU 21 CO 0.02 -1.70 1.57 0.08 0.02 0.00 0.00 175.26 175.26 2e5s s VAL 22 N 6.23 2.60 0.36 2.63 1.01 -1.12 -3.70 120.40 128.41 2e5s s VAL 22 Ca 0.73 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.86 2e5s s VAL 22 Cb -0.20 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 2e5s s VAL 22 CO 0.33 0.03 1.45 0.00 0.00 0.00 0.00 175.10 176.91 2e5s h ARG 24 N 3.21 0.22 -0.15 0.00 3.08 -1.93 -3.33 114.38 115.48 2e5s h ARG 24 Ca -0.50 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.17 2e5s h ARG 24 Cb 1.23 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 2e5s h ARG 24 CO 0.65 1.07 0.09 0.93 -1.07 0.00 0.00 179.97 181.64 2e5s h GLU 25 N 0.06 0.20 -0.92 0.04 3.07 -1.96 -2.70 114.58 112.37 2e5s h GLU 25 Ca -0.38 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.57 2e5s h GLU 25 Cb 2.03 -0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 29.82 2e5s h GLU 25 CO 0.10 0.19 0.55 0.35 -1.40 0.00 0.00 179.01 178.80 2e5s h PHE 26 N 0.16 1.00 -0.98 4.33 3.04 -1.87 0.14 116.94 122.77 2e5s h PHE 26 Ca 0.05 0.03 0.24 0.00 3.98 0.00 0.00 57.97 62.28 2e5s h PHE 26 Cb 0.04 -0.31 -0.07 0.00 2.56 0.00 0.00 35.95 38.17 2e5s h PHE 26 CO -0.05 0.39 0.65 1.96 -2.02 0.00 0.00 178.31 179.24 2e5s h GLN 27 N 0.88 0.34 -0.52 1.11 4.20 -1.59 0.40 115.11 119.93 2e5s h GLN 27 Ca 0.46 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.94 2e5s h GLN 27 Cb 0.46 -0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.04 2e5s h GLN 27 CO -0.27 0.22 0.13 2.89 -0.67 0.00 0.00 178.83 181.13 2e5s n ARG 28 N -4.51 2.46 -4.02 1.46 1.85 -0.15 -4.94 116.66 108.80 2e5s n ARG 28 Ca 0.22 -3.07 -0.30 0.00 -1.00 0.00 0.00 57.85 53.70 2e5s n ARG 28 Cb 0.82 -1.96 -0.01 0.00 -1.05 0.00 0.00 32.46 30.26 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 -0.84 -0.35 0.05 2.89 0.00 0.14 -4.85 105.19 102.23 2e5s n GLY 29 Ca 0.37 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.85 3.21 -4.64 1.61 5.15 0.31 -4.97 115.26 113.07 2e5s n ASN 30 Ca -0.12 -0.05 -0.47 0.00 -0.60 0.00 0.00 54.58 53.33 2e5s n ASN 30 Cb 0.59 -0.16 -0.04 0.00 -0.53 0.00 0.00 39.78 39.64 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 2.77 2.23 0.30 0.00 0.00 -1.26 -4.38 120.51 120.17 2e5s n ALA 32 Ca 0.16 -0.56 0.17 0.00 0.00 0.00 0.00 53.44 53.21 2e5s n ALA 32 Cb 0.27 -0.34 0.78 0.00 0.00 0.00 0.00 19.45 20.16 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 -3.00 0.00 2.47 -1.90 -3.48 114.38 108.46 2e5s h ARG 33 Ca -0.14 0.00 0.28 0.00 -1.26 0.00 0.00 59.98 58.87 2e5s h ARG 33 Cb 1.11 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.29 2e5s h ARG 33 CO 0.01 0.00 -0.95 0.41 0.56 0.00 0.00 179.97 180.00 2e5s n GLY 34 N -0.39 -2.51 0.00 0.04 0.00 -1.26 -0.31 105.19 100.76 2e5s n GLY 34 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.03 0.00 -0.08 1.61 -0.00 -1.26 0.98 120.64 117.87 2e5s n GLU 35 Ca -0.06 0.48 -0.12 0.00 -0.00 0.00 0.00 57.16 57.46 2e5s n GLU 35 Cb 0.58 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.44 2e5s n GLU 35 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 2e5s h THR 36 N 0.00 0.81 -0.42 3.84 1.35 -1.92 -3.37 112.91 113.19 2e5s h THR 36 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 2e5s h THR 36 Cb 0.00 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2e5s h THR 36 CO 0.00 0.28 0.00 -0.67 -0.25 0.00 0.00 175.52 174.88 2e5s n ASP 37 N -4.59 3.09 -4.39 5.36 -0.08 0.58 -4.87 116.55 111.65 2e5s n ASP 37 Ca -0.15 -1.95 -0.33 0.00 -1.51 0.00 0.00 54.79 50.85 2e5s n ASP 37 Cb 0.41 -0.28 -0.14 0.00 2.34 0.00 0.00 41.12 43.45 2e5s n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e5s h ARG 39 N 6.86 0.81 -6.78 0.00 0.11 -1.88 -3.43 114.38 110.07 2e5s h ARG 39 Ca -0.29 -0.07 -0.52 0.00 0.10 0.00 0.00 59.98 59.21 2e5s h ARG 39 Cb 1.20 -0.17 0.04 0.00 1.11 0.00 0.00 29.97 32.15 2e5s h ARG 39 CO 0.58 0.57 0.62 -0.06 0.10 0.00 0.00 179.97 181.78 2e5s s PHE 40 N -6.03 3.22 0.45 4.08 0.08 -1.26 -4.99 117.98 113.53 2e5s s PHE 40 Ca -0.13 1.38 -0.22 0.00 0.12 0.00 0.00 56.93 58.08 2e5s s PHE 40 Cb 0.13 -3.59 -0.08 0.00 -0.57 0.00 0.00 43.02 38.91 2e5s s PHE 40 CO 0.76 -1.67 1.07 0.00 -0.10 0.00 0.00 175.22 175.28 2e5s s ALA 41 N -0.62 2.95 -0.41 5.36 0.00 -1.24 -4.66 121.76 123.13 2e5s s ALA 41 Ca 0.51 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 2e5s s ALA 41 Cb -0.37 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.57 2e5s s ALA 41 CO 0.45 -0.37 0.22 -1.01 0.00 0.00 0.00 175.76 175.05 2e5s s HIS 42 N -1.78 3.55 -1.19 0.00 3.76 -1.26 -2.33 115.29 116.05 2e5s s HIS 42 Ca 0.64 -2.31 -0.23 0.00 -0.15 0.00 0.00 55.06 53.01 2e5s s HIS 42 Cb -0.21 -3.22 -0.09 0.00 1.11 0.00 0.00 32.58 30.17 2e5s s HIS 42 CO 0.25 -0.97 1.93 -0.35 -0.85 0.00 0.00 174.74 174.76 2e5s n PRO 43 N 4.64 1.60 -0.08 8.40 -0.04 -1.26 -4.62 135.00 143.65 2e5s n PRO 43 Ca -0.03 -2.46 -0.23 0.00 -0.04 0.00 0.00 63.50 60.74 2e5s n PRO 43 Cb 0.41 -3.72 -0.12 0.00 -0.04 0.00 0.00 33.50 30.03 2e5s n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e5s n ALA 44 N 14.32 0.99 -2.22 0.55 0.00 -1.26 -4.89 120.51 128.00 2e5s n ALA 44 Ca 0.45 -0.73 -0.27 0.00 0.00 0.00 0.00 53.44 52.89 2e5s n ALA 44 Cb 0.46 -0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.52 2e5s n ALA 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2e5s s ASP 45 N -6.98 6.04 -0.74 0.00 -1.08 -1.26 -4.86 116.67 107.78 2e5s s ASP 45 Ca -0.29 0.82 -0.19 0.00 -0.52 0.00 0.00 52.55 52.37 2e5s s ASP 45 Cb 0.08 -2.05 -0.19 0.00 -1.46 0.00 0.00 42.92 39.31 2e5s s ASP 45 CO 0.63 -0.72 1.90 -1.20 0.52 0.00 0.00 175.17 176.30 2e5s n SER 46 N -2.34 -0.12 -3.77 -0.34 7.64 -1.26 -4.82 113.62 108.61 2e5s n SER 46 Ca 0.02 -0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 2e5s n SER 46 Cb 0.56 -0.61 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 2e5s n SER 46 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2e5s s THR 47 N 4.99 0.23 -0.03 0.44 -4.23 -1.26 -5.12 115.64 110.66 2e5s s THR 47 Ca 1.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.55 2e5s s THR 47 Cb -0.86 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2e5s s THR 47 CO 0.38 0.00 -0.13 -0.04 -0.54 0.00 0.00 174.62 174.28 2e5s s MET 48 N -3.66 2.47 -0.02 3.99 -1.94 -1.26 -5.11 119.30 113.76 2e5s s MET 48 Ca 0.35 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.61 2e5s s MET 48 Cb 0.03 -2.38 0.02 0.00 2.01 0.00 0.00 34.83 34.51 2e5s s MET 48 CO 0.21 0.61 -0.01 0.42 -0.01 0.00 0.00 175.02 176.24 2e5s s ILE 49 N -0.79 0.21 -0.40 2.53 1.01 -1.26 -4.72 121.20 117.77 2e5s s ILE 49 Ca 0.13 0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.58 2e5s s ILE 49 Cb -0.11 -0.27 0.02 0.00 0.01 0.00 0.00 42.46 42.11 2e5s s ILE 49 CO 0.02 0.13 0.78 -1.81 0.00 0.00 0.00 174.94 174.06 2e5s s ASP 50 N 0.79 6.49 0.00 3.58 1.11 -0.97 -4.90 116.67 122.77 2e5s s ASP 50 Ca -0.08 0.17 0.14 0.00 0.18 0.00 0.00 52.55 52.96 2e5s s ASP 50 Cb -0.11 -2.39 0.78 0.00 1.07 0.00 0.00 42.92 42.26 2e5s s ASP 50 CO -0.01 -0.80 1.30 0.35 1.18 0.00 0.00 175.17 177.19 2e5s n THR 51 N 5.92 0.27 0.00 -1.27 -2.24 -1.26 0.24 114.28 115.94 2e5s n THR 51 Ca 0.03 0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 2e5s n THR 51 Cb 0.48 -0.84 -0.14 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.12 1.94 -0.25 3.42 7.64 -1.26 -4.51 113.62 119.47 2e5s n SER 52 Ca 0.09 0.25 0.03 0.00 1.01 0.00 0.00 58.87 60.24 2e5s n SER 52 Cb 0.07 -0.75 0.04 0.00 -1.01 0.00 0.00 64.21 62.56 2e5s n SER 52 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2e5s n ASP 53 N -3.42 0.79 -2.94 6.43 8.00 -1.00 -4.99 116.55 119.43 2e5s n ASP 53 Ca -0.29 -2.10 -0.16 0.00 0.71 0.00 0.00 54.79 52.94 2e5s n ASP 53 Cb 1.05 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 2e5s n ASP 53 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2e5s n ASN 54 N -0.42 -1.10 -4.62 -2.24 6.94 0.66 -4.85 115.26 109.63 2e5s n ASN 54 Ca 0.04 -0.27 -0.25 0.00 -0.02 0.00 0.00 54.58 54.08 2e5s n ASN 54 Cb 0.61 -1.01 -0.09 0.00 -2.36 0.00 0.00 39.78 36.93 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 -2.14 2.45 0.15 5.53 -4.23 -1.23 -2.81 115.64 113.36 2e5s s THR 55 Ca 0.32 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.95 2e5s s THR 55 Cb -0.18 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 2e5s s THR 55 CO 0.39 -0.16 -0.26 0.68 -0.54 0.00 0.00 174.62 174.73 2e5s s VAL 56 N -2.57 2.27 0.06 2.29 -7.23 -0.14 -2.30 120.40 112.78 2e5s s VAL 56 Ca 0.35 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.48 2e5s s VAL 56 Cb 0.02 -2.02 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 2e5s s VAL 56 CO 0.19 0.02 0.63 -0.89 -0.31 0.00 0.00 175.10 174.74 2e5s s THR 57 N -1.25 4.74 0.14 5.32 2.01 -1.26 -0.74 115.64 124.61 2e5s s THR 57 Ca 0.16 1.34 -0.07 0.00 0.31 0.00 0.00 61.69 63.43 2e5s s THR 57 Cb -0.09 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 2e5s s THR 57 CO 0.07 0.49 0.41 -0.69 -0.69 0.00 0.00 174.62 174.21 2e5s s VAL 58 N -0.70 5.11 -0.55 3.82 1.01 0.78 -1.73 120.40 128.13 2e5s s VAL 58 Ca 0.32 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 2e5s s VAL 58 Cb -0.20 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2e5s s VAL 58 CO 0.20 0.08 0.67 0.00 0.00 0.00 0.00 175.10 176.06 2e5s h MET 60 N 9.10 -0.31 -0.23 0.00 4.05 -1.96 -1.55 114.93 124.03 2e5s h MET 60 Ca -0.28 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.19 2e5s h MET 60 Cb 1.09 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.89 2e5s h MET 60 CO 1.03 -0.21 -0.51 -0.44 0.23 0.00 0.00 176.91 177.01 2e5s h ASP 61 N -0.32 -1.66 -0.86 1.39 5.19 -1.93 -1.24 116.42 116.98 2e5s h ASP 61 Ca 0.12 0.21 0.17 0.00 -0.62 0.00 0.00 57.03 56.90 2e5s h ASP 61 Cb 0.58 0.66 -0.16 0.00 0.18 0.00 0.00 39.33 40.59 2e5s h ASP 61 CO -0.64 -0.42 -0.22 0.22 -3.12 0.00 0.00 179.24 175.07 2e5s h TYR 62 N -0.47 -0.47 -0.93 4.55 3.20 -1.56 0.82 116.97 122.11 2e5s h TYR 62 Ca 0.04 0.08 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2e5s h TYR 62 Cb 0.60 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 2e5s h TYR 62 CO -0.64 -0.37 0.59 0.82 -1.64 0.00 0.00 178.16 176.92 2e5s h ILE 63 N -0.00 0.80 0.00 1.81 1.08 -0.28 0.31 117.51 121.23 2e5s h ILE 63 Ca 0.41 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.60 2e5s h ILE 63 Cb 0.63 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2e5s h ILE 63 CO -0.89 0.13 -0.22 0.11 -0.69 0.00 0.00 178.15 176.59 2e5s h LYS 64 N 0.70 0.00 0.00 2.37 1.57 0.12 -3.47 116.57 117.86 2e5s h LYS 64 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2e5s h LYS 64 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2e5s h LYS 64 CO -0.24 0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.27 2e5s n GLY 65 N -0.17 2.38 2.84 3.86 0.00 0.11 -5.05 105.19 109.15 2e5s n GLY 65 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.15 1.07 -0.50 1.61 1.81 -1.21 -4.94 118.95 116.63 2e5s s ARG 66 Ca 0.00 -1.12 -0.17 0.00 -1.72 0.00 0.00 55.73 52.72 2e5s s ARG 66 Cb 0.00 -2.37 0.07 0.00 -0.45 0.00 0.00 34.95 32.20 2e5s s ARG 66 CO 0.00 -0.84 0.54 0.00 -0.68 0.00 0.00 175.30 174.32 2e5s n MET 68 N 5.76 0.83 -1.21 0.00 0.00 -1.26 -4.94 117.12 116.30 2e5s n MET 68 Ca -0.10 -0.10 -0.30 0.00 0.00 0.00 0.00 57.70 57.20 2e5s n MET 68 Cb 0.44 -1.27 -0.13 0.00 0.00 0.00 0.00 33.22 32.26 2e5s n MET 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2e5s n ARG 69 N -1.83 0.00 -1.11 3.17 0.63 -1.26 -4.70 116.66 111.55 2e5s n ARG 69 Ca -0.02 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.54 2e5s n ARG 69 Cb 0.31 -1.14 -0.01 0.00 0.45 0.00 0.00 32.46 32.07 2e5s n ARG 69 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2e5s n GLU 70 N 6.44 0.00 -3.80 -0.14 2.13 -1.26 0.09 120.64 124.10 2e5s n GLU 70 Ca 0.54 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.07 2e5s n GLU 70 Cb 0.04 -0.83 -0.07 0.00 0.27 0.00 0.00 31.44 30.86 2e5s n GLU 70 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2e5s n LYS 71 N 0.98 -0.85 -1.48 5.31 5.02 -1.26 -4.64 118.16 121.23 2e5s n LYS 71 Ca 0.12 0.09 -0.54 0.00 -2.02 0.00 0.00 58.31 55.96 2e5s n LYS 71 Cb 0.27 -3.19 -0.08 0.00 -0.02 0.00 0.00 35.03 32.02 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 7.41 2.39 -4.09 0.00 2.85 -1.26 -4.99 118.16 120.47 2e5s n LYS 73 Ca 0.40 -3.30 -0.23 0.00 -1.05 0.00 0.00 58.31 54.12 2e5s n LYS 73 Cb 0.16 -2.09 -0.04 0.00 -0.65 0.00 0.00 35.03 32.41 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 -3.45 3.17 0.24 5.58 1.51 -1.26 -4.98 117.35 118.15 2e5s s TYR 74 Ca 0.54 -0.07 -0.30 0.00 -1.01 0.00 0.00 57.07 56.23 2e5s s TYR 74 Cb 0.45 -1.46 -0.09 0.00 -0.11 0.00 0.00 41.96 40.76 2e5s s TYR 74 CO 0.03 0.51 1.02 0.12 -1.11 0.00 0.00 175.55 176.13 2e5s s PHE 75 N -2.00 3.77 -0.40 2.71 5.36 -0.71 -4.86 117.98 121.85 2e5s s PHE 75 Ca 0.32 1.79 -0.04 0.00 -0.96 0.00 0.00 56.93 58.04 2e5s s PHE 75 Cb -0.09 -3.14 0.10 0.00 -0.34 0.00 0.00 43.02 39.55 2e5s s PHE 75 CO 0.25 -0.08 0.20 -1.01 -1.46 0.00 0.00 175.22 173.12 2e5s s HIS 76 N -0.99 3.50 0.94 10.12 3.76 -1.26 -3.24 115.29 128.13 2e5s s HIS 76 Ca 0.44 -2.18 -0.12 0.00 -0.15 0.00 0.00 55.06 53.04 2e5s s HIS 76 Cb -0.29 -3.10 0.16 0.00 1.11 0.00 0.00 32.58 30.46 2e5s s HIS 76 CO 0.36 -0.94 1.09 -1.25 -0.85 0.00 0.00 174.74 173.15 2e5s s PRO 77 N 1.21 0.87 1.25 8.40 0.04 -1.26 -5.05 135.00 140.46 2e5s s PRO 77 Ca 0.06 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.57 2e5s s PRO 77 Cb -0.23 -1.77 0.31 0.00 0.04 0.00 0.00 34.50 32.85 2e5s s PRO 77 CO -0.03 -2.47 1.12 -1.25 0.04 0.00 0.00 177.00 174.41 2e5s s PRO 78 N -4.95 -1.64 0.01 0.56 0.04 -1.26 -4.68 135.00 123.08 2e5s s PRO 78 Ca 0.64 -0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 2e5s s PRO 78 Cb -0.18 -1.56 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 2e5s s PRO 78 CO 0.57 -3.96 0.93 0.00 0.04 0.00 0.00 177.00 174.59 2e5s h ALA 79 N -2.76 -0.86 -0.91 8.56 0.00 -1.98 0.20 119.26 121.52 2e5s h ALA 79 Ca -0.42 -0.12 0.34 0.00 0.00 0.00 0.00 54.91 54.72 2e5s h ALA 79 Cb 1.28 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 2e5s h ALA 79 CO 0.28 -0.82 0.36 -2.39 0.00 0.00 0.00 179.25 176.68 2e5s n HIS 80 N -3.86 0.93 0.02 0.00 1.44 -1.26 -0.51 115.22 111.96 2e5s n HIS 80 Ca -0.07 1.08 -0.08 0.00 -2.01 0.00 0.00 57.72 56.65 2e5s n HIS 80 Cb 0.21 -1.40 -0.06 0.00 0.12 0.00 0.00 29.99 28.86 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 -0.13 -0.94 2.39 3.38 -1.92 -3.25 115.31 114.84 2e5s h LEU 81 Ca 0.71 -0.32 0.34 0.00 0.09 0.00 0.00 57.88 58.70 2e5s h LEU 81 Cb 1.79 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 42.46 2e5s h LEU 81 CO -0.74 0.48 0.58 0.00 0.09 0.00 0.00 178.44 178.84 2e5s n GLN 82 N -4.85 -0.03 -0.00 1.13 6.02 0.71 0.18 117.38 120.54 2e5s n GLN 82 Ca -0.06 0.96 -0.13 0.00 -0.01 0.00 0.00 57.00 57.77 2e5s n GLN 82 Cb 0.22 -1.84 -0.10 0.00 1.02 0.00 0.00 30.24 29.54 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 1.28 -0.03 -1.59 -1.58 0.00 -1.46 -2.66 119.26 113.22 2e5s h ALA 83 Ca 0.65 -0.24 0.50 0.00 0.00 0.00 0.00 54.91 55.82 2e5s h ALA 83 Cb 1.97 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.67 2e5s h ALA 83 CO -0.42 -0.28 1.09 1.63 0.00 0.00 0.00 179.25 181.28 2e5s n LYS 84 N -4.87 -0.02 -0.03 0.00 5.02 0.47 0.76 118.16 119.49 2e5s n LYS 84 Ca -0.08 1.11 -0.20 0.00 -2.02 0.00 0.00 58.31 57.12 2e5s n LYS 84 Cb 0.25 -2.37 -0.13 0.00 -0.02 0.00 0.00 35.03 32.76 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 1.14 -1.04 -0.18 5.03 -1.46 -3.35 117.51 117.65 2e5s h ILE 85 Ca 0.87 -2.35 0.27 0.00 -0.12 0.00 0.00 64.86 63.52 2e5s h ILE 85 Cb 3.14 2.73 -0.11 0.00 -3.03 0.00 0.00 36.82 39.55 2e5s h ILE 85 CO -0.23 0.61 0.64 0.11 -0.68 0.00 0.00 178.15 178.60 2e5s h LYS 86 N -0.56 0.45 0.77 2.37 1.57 0.71 -1.82 116.57 120.05 2e5s h LYS 86 Ca -0.26 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 2e5s h LYS 86 Cb 1.55 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2e5s h LYS 86 CO -0.00 0.29 -0.41 0.00 -0.57 0.00 0.00 179.45 178.76 2e5s h ALA 87 N 1.67 -1.27 -0.99 3.86 0.00 -1.36 -3.09 119.26 118.08 2e5s h ALA 87 Ca 0.63 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.46 2e5s h ALA 87 Cb 1.44 0.48 -0.16 0.00 0.00 0.00 0.00 17.79 19.55 2e5s h ALA 87 CO -0.39 -1.20 -0.40 0.00 0.00 0.00 0.00 179.25 177.26 2e5s n ALA 88 N -2.59 -0.16 -0.39 0.00 0.00 -0.70 -0.91 120.51 115.75 2e5s n ALA 88 Ca -0.13 0.98 -0.10 0.00 0.00 0.00 0.00 53.44 54.18 2e5s n ALA 88 Cb 0.44 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 2e5s n ALA 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2e5s n GLN 89 N -5.44 -0.41 -3.10 0.00 3.00 -1.11 -1.83 117.38 108.49 2e5s n GLN 89 Ca 0.10 1.47 -0.39 0.00 -0.01 0.00 0.00 57.00 58.16 2e5s n GLN 89 Cb 0.39 -2.16 -0.05 0.00 0.00 0.00 0.00 30.24 28.41 2e5s n GLN 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2e5s s HIS 90 N -5.34 3.53 -1.32 1.08 2.46 -0.09 -4.15 115.29 111.46 2e5s s HIS 90 Ca -0.11 1.13 -0.04 0.00 0.47 0.00 0.00 55.06 56.51 2e5s s HIS 90 Cb 0.10 -2.77 -0.00 0.00 -0.13 0.00 0.00 32.58 29.78 2e5s s HIS 90 CO 0.58 0.05 0.58 0.94 -2.47 0.00 0.00 174.74 174.42 2e5s n GLN 91 N 4.03 -3.41 -1.58 2.88 7.27 -1.26 -4.74 117.38 120.57 2e5s n GLN 91 Ca -0.02 0.49 -0.59 0.00 0.07 0.00 0.00 57.00 56.94 2e5s n GLN 91 Cb 0.51 -4.68 -0.09 0.00 2.41 0.00 0.00 30.24 28.39 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2e5s n ALA 92 N -4.30 -0.16 -0.11 1.69 0.00 -0.76 -4.85 120.51 112.02 2e5s n ALA 92 Ca -0.26 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2e5s n ALA 92 Cb 0.67 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 2e5s n ALA 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2e5s n ASN 93 N 6.29 1.87 -4.55 0.00 3.02 -1.26 -4.75 115.26 115.87 2e5s n ASN 93 Ca 0.36 0.44 -0.40 0.00 -0.03 0.00 0.00 54.58 54.95 2e5s n ASN 93 Cb 0.06 -0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 2e5s n ASN 93 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2e5s s GLN 94 N -2.39 3.20 -0.16 3.52 -0.44 -1.26 -4.93 119.66 117.20 2e5s s GLN 94 Ca -0.29 -0.41 -0.07 0.00 -2.50 0.00 0.00 55.36 52.09 2e5s s GLN 94 Cb 0.07 -4.63 0.07 0.00 -1.64 0.00 0.00 33.01 26.88 2e5s s GLN 94 CO 0.52 -2.33 0.36 0.00 0.50 0.00 0.00 175.29 174.34 2e5s s ALA 95 N 6.23 -0.91 0.38 1.58 0.00 -1.26 -5.11 121.76 122.66 2e5s s ALA 95 Ca 0.45 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.81 2e5s s ALA 95 Cb -0.06 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 2e5s s ALA 95 CO 0.07 -0.50 0.16 0.00 0.00 0.00 0.00 175.76 175.49 2e5s s ALA 96 N 2.00 3.54 -0.94 0.00 0.00 -1.26 -5.05 121.76 120.04 2e5s s ALA 96 Ca -0.05 -1.96 -0.24 0.00 0.00 0.00 0.00 51.96 49.71 2e5s s ALA 96 Cb -0.11 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.48 2e5s s ALA 96 CO -0.11 -0.06 1.46 0.08 0.00 0.00 0.00 175.76 177.12 2e5s s VAL 97 N -2.51 3.83 0.00 0.00 1.01 -1.26 -5.25 120.40 116.22 2e5s s VAL 97 Ca 0.39 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2e5s s VAL 97 Cb 0.00 -4.94 0.00 0.00 0.00 0.00 0.00 36.38 31.45 2e5s s VAL 97 CO 0.23 -1.84 0.21 0.00 0.00 0.00 0.00 175.10 173.70