#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 3.61 -0.08 1.61 1.04 -1.26 -5.01 113.70 113.61 2e5s s SER 2 Ca 0.00 -1.12 -0.21 0.00 0.48 0.00 0.00 55.95 55.10 2e5s s SER 2 Cb 0.00 -1.00 -0.17 0.00 0.10 0.00 0.00 66.02 64.95 2e5s s SER 2 CO 0.00 -0.27 0.79 0.28 0.98 0.00 0.00 173.24 175.02 2e5s h SER 3 N 8.04 -0.10 -3.68 7.02 0.02 -2.15 -3.50 113.55 119.19 2e5s h SER 3 Ca -0.17 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2e5s h SER 3 Cb 1.08 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2e5s h SER 3 CO 0.40 0.56 -0.39 0.61 -1.14 0.00 0.00 176.83 176.86 2e5s n GLY 4 N 0.95 -4.02 3.29 -3.77 0.00 -1.26 -5.11 105.19 95.28 2e5s n GLY 4 Ca -0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 2e5s n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5s s SER 5 N -0.24 -0.23 -0.09 1.61 1.04 -1.26 -5.17 113.70 109.35 2e5s s SER 5 Ca -0.00 -0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 2e5s s SER 5 Cb 0.00 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.53 2e5s s SER 5 CO 0.00 -0.60 0.25 -0.44 0.98 0.00 0.00 173.24 173.43 2e5s s SER 6 N -1.85 -0.26 0.00 7.02 0.01 -1.26 -5.05 113.70 112.32 2e5s s SER 6 Ca -0.07 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2e5s s SER 6 Cb -0.02 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2e5s s SER 6 CO -0.01 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2e5s n GLY 7 N 2.98 0.00 3.51 3.44 0.00 -1.26 -5.08 105.19 108.77 2e5s n GLY 7 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 6.75 0.03 1.61 0.01 -1.26 -4.95 113.70 115.88 2e5s s SER 8 Ca 0.00 -2.22 0.03 0.00 1.31 0.00 0.00 55.95 55.07 2e5s s SER 8 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2e5s s SER 8 CO 0.00 -1.11 -0.09 0.28 0.41 0.00 0.00 173.24 172.73 2e5s s THR 9 N 3.27 0.67 0.06 1.44 -1.32 -1.26 -5.16 115.64 113.35 2e5s s THR 9 Ca 0.43 -0.80 0.07 0.00 -1.21 0.00 0.00 61.69 60.17 2e5s s THR 9 Cb -0.01 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.29 2e5s s THR 9 CO -0.04 -0.12 -0.13 0.00 -2.21 0.00 0.00 174.62 172.12 2e5s s ALA 10 N -0.85 2.80 0.46 11.08 0.00 -1.26 -5.10 121.76 128.89 2e5s s ALA 10 Ca -0.03 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.49 2e5s s ALA 10 Cb -0.07 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.12 2e5s s ALA 10 CO 0.00 0.61 1.32 0.99 0.00 0.00 0.00 175.76 178.68 2e5s s THR 11 N -1.06 2.46 -0.04 0.00 2.01 -1.26 -5.03 115.64 112.72 2e5s s THR 11 Ca 0.18 0.39 -0.19 0.00 0.31 0.00 0.00 61.69 62.37 2e5s s THR 11 Cb -0.11 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 69.22 2e5s s THR 11 CO 0.09 0.03 0.42 -1.58 -0.69 0.00 0.00 174.62 172.89 2e5s s GLN 12 N -2.52 0.75 -0.57 4.92 0.74 -1.26 -5.05 119.66 116.67 2e5s s GLN 12 Ca 0.62 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 56.04 2e5s s GLN 12 Cb -0.38 0.34 0.46 0.00 1.10 0.00 0.00 33.01 34.53 2e5s s GLN 12 CO 0.48 -0.21 1.82 1.63 -0.55 0.00 0.00 175.29 178.45 2e5s n LYS 13 N 1.33 2.91 -3.80 1.67 5.02 -1.26 -4.94 118.16 119.10 2e5s n LYS 13 Ca -0.20 -3.51 -0.13 0.00 -2.02 0.00 0.00 58.31 52.45 2e5s n LYS 13 Cb 0.56 -2.28 -0.12 0.00 -0.02 0.00 0.00 35.03 33.17 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2e5s s LEU 14 N -3.76 1.14 0.09 -0.35 1.43 -1.26 -5.17 118.68 110.81 2e5s s LEU 14 Ca 0.61 0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 53.97 2e5s s LEU 14 Cb 0.48 0.77 0.05 0.00 0.03 0.00 0.00 46.19 47.52 2e5s s LEU 14 CO 0.00 -0.08 0.47 -0.22 0.23 0.00 0.00 176.35 176.76 2e5s s LEU 15 N 0.12 0.09 0.04 1.79 2.96 -1.26 -5.18 118.68 117.24 2e5s s LEU 15 Ca -0.00 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2e5s s LEU 15 Cb -0.02 2.04 -0.02 0.00 0.50 0.00 0.00 46.19 48.70 2e5s s LEU 15 CO 0.00 -0.80 0.06 -0.13 -1.32 0.00 0.00 176.35 174.16 2e5s s ARG 16 N -3.17 0.57 0.00 1.98 1.81 -1.26 -5.05 118.95 113.83 2e5s s ARG 16 Ca -0.01 -0.84 0.00 0.00 -1.72 0.00 0.00 55.73 53.16 2e5s s ARG 16 Cb 0.00 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 2e5s s ARG 16 CO -0.07 -0.14 0.00 -2.37 -0.68 0.00 0.00 175.30 172.04 2e5s n THR 17 N 0.69 0.00 -1.12 0.02 5.66 -1.26 -4.81 114.28 113.47 2e5s n THR 17 Ca -0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.61 2e5s n THR 17 Cb 0.59 -0.21 -0.12 0.00 -1.55 0.00 0.00 70.33 69.03 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 -1.28 6.31 -4.00 1.09 5.75 -1.26 -4.82 116.55 118.34 2e5s n ASP 18 Ca 0.00 -2.54 -0.23 0.00 -0.01 0.00 0.00 54.79 52.01 2e5s n ASP 18 Cb 0.18 -1.45 -0.16 0.00 -1.03 0.00 0.00 41.12 38.66 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 1.22 1.48 -0.11 0.11 -2.85 -1.26 0.82 119.74 119.15 2e5s s LYS 19 Ca 0.67 -0.35 0.03 0.00 -1.00 0.00 0.00 55.97 55.31 2e5s s LYS 19 Cb 0.28 -1.26 -0.01 0.00 -2.06 0.00 0.00 37.83 34.79 2e5s s LYS 19 CO -0.03 0.03 -0.20 -0.51 0.10 0.00 0.00 175.35 174.74 2e5s s LEU 20 N 0.64 2.35 -0.27 2.77 1.43 -0.02 -4.93 118.68 120.65 2e5s s LEU 20 Ca -0.13 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 2e5s s LEU 20 Cb -0.15 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2e5s s LEU 20 CO 0.03 0.17 1.37 -1.61 0.23 0.00 0.00 176.35 176.54 2e5s s GLU 21 N 0.29 3.92 0.24 1.70 2.02 -1.26 -0.55 118.70 125.06 2e5s s GLU 21 Ca -0.14 1.38 -0.30 0.00 0.02 0.00 0.00 54.97 55.92 2e5s s GLU 21 Cb -0.17 -3.90 -0.10 0.00 0.10 0.00 0.00 34.13 30.06 2e5s s GLU 21 CO 0.07 -1.12 1.49 0.08 0.02 0.00 0.00 175.26 175.80 2e5s s VAL 22 N 4.46 2.56 0.46 2.63 1.01 -0.21 -2.68 120.40 128.63 2e5s s VAL 22 Ca 0.59 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.80 2e5s s VAL 22 Cb -0.19 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 2e5s s VAL 22 CO 0.24 0.07 1.18 0.00 0.00 0.00 0.00 175.10 176.58 2e5s n ARG 24 N -0.51 0.68 0.06 0.00 1.74 -1.26 -4.00 116.66 113.38 2e5s n ARG 24 Ca 0.07 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.26 2e5s n ARG 24 Cb 0.48 -1.71 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 2e5s n ARG 24 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2e5s h GLU 25 N 0.02 -0.16 -0.82 5.56 4.39 -1.96 -3.14 114.58 118.47 2e5s h GLU 25 Ca -0.39 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.50 2e5s h GLU 25 Cb 2.04 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 30.62 2e5s h GLU 25 CO 0.06 0.17 0.33 0.35 -1.16 0.00 0.00 179.01 178.77 2e5s h PHE 26 N -0.52 0.56 -0.80 4.33 3.04 -1.86 0.18 116.94 121.88 2e5s h PHE 26 Ca -0.02 0.04 0.18 0.00 3.98 0.00 0.00 57.97 62.15 2e5s h PHE 26 Cb 0.41 -0.12 -0.11 0.00 2.56 0.00 0.00 35.95 38.69 2e5s h PHE 26 CO 0.04 0.01 0.28 1.96 -2.02 0.00 0.00 178.31 178.58 2e5s h GLN 27 N 0.43 0.35 -0.81 1.11 4.20 -1.68 0.42 115.11 119.13 2e5s h GLN 27 Ca 0.48 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.95 2e5s h GLN 27 Cb 0.81 -0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.38 2e5s h GLN 27 CO -0.46 0.23 0.28 2.89 -0.67 0.00 0.00 178.83 181.09 2e5s n ARG 28 N -5.08 3.35 -3.94 1.46 1.85 0.02 -4.91 116.66 109.41 2e5s n ARG 28 Ca 0.17 -2.73 -0.28 0.00 -1.00 0.00 0.00 57.85 54.01 2e5s n ARG 28 Cb 0.52 -2.12 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 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 -0.16 -0.36 0.10 2.89 0.00 0.15 -4.87 105.19 102.93 2e5s n GLY 29 Ca 0.38 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.90 2.92 -4.68 1.61 4.13 0.42 -4.96 115.26 111.81 2e5s n ASN 30 Ca -0.14 -0.05 -0.49 0.00 1.68 0.00 0.00 54.58 55.58 2e5s n ASN 30 Cb 0.60 -0.20 -0.05 0.00 -1.54 0.00 0.00 39.78 38.59 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 5.43 3.24 0.35 0.00 0.00 -1.26 -4.30 120.51 123.97 2e5s n ALA 32 Ca 0.21 -0.45 0.14 0.00 0.00 0.00 0.00 53.44 53.35 2e5s n ALA 32 Cb 0.27 -0.62 0.44 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.28 0.00 3.08 -1.90 -3.49 114.38 108.79 2e5s h ARG 33 Ca 0.00 0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.40 2e5s h ARG 33 Cb 0.67 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.57 2e5s h ARG 33 CO 0.00 0.00 -0.91 0.41 -1.07 0.00 0.00 179.97 178.40 2e5s n GLY 34 N 0.58 -2.56 0.00 0.04 0.00 -1.26 -0.50 105.19 101.49 2e5s n GLY 34 Ca 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.19 0.05 0.05 1.61 0.00 -1.26 0.74 120.64 117.64 2e5s n GLU 35 Ca -0.04 0.30 -0.22 0.00 0.00 0.00 0.00 57.16 57.20 2e5s n GLU 35 Cb 0.67 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.47 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 0.88 -0.17 3.84 1.35 -1.93 -3.37 112.91 113.52 2e5s h THR 36 Ca 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 2e5s h THR 36 Cb 0.09 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2e5s h THR 36 CO 0.00 0.86 0.00 -0.67 -0.25 0.00 0.00 175.52 175.46 2e5s n ASP 37 N -3.54 2.45 -4.47 5.36 2.03 0.34 -4.95 116.55 113.77 2e5s n ASP 37 Ca -0.26 -1.71 -0.33 0.00 0.52 0.00 0.00 54.79 53.01 2e5s n ASP 37 Cb 1.07 -0.10 -0.13 0.00 -0.72 0.00 0.00 41.12 41.24 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 6.58 0.00 -6.63 0.00 3.08 -1.88 -3.43 114.38 112.09 2e5s h ARG 39 Ca -0.31 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.23 2e5s h ARG 39 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2e5s h ARG 39 CO 0.60 0.17 0.16 -0.06 -1.07 0.00 0.00 179.97 179.77 2e5s s PHE 40 N -4.10 3.66 0.26 3.04 0.08 -1.26 -4.92 117.98 114.74 2e5s s PHE 40 Ca -0.02 1.47 -0.30 0.00 0.12 0.00 0.00 56.93 58.20 2e5s s PHE 40 Cb 0.13 -2.68 -0.09 0.00 -0.57 0.00 0.00 43.02 39.80 2e5s s PHE 40 CO 0.62 0.32 1.04 0.00 -0.10 0.00 0.00 175.22 177.09 2e5s s ALA 41 N -1.53 3.38 -0.45 5.36 0.00 -1.09 -4.69 121.76 122.74 2e5s s ALA 41 Ca 0.44 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 53.10 2e5s s ALA 41 Cb -0.17 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.77 2e5s s ALA 41 CO 0.22 -0.02 0.31 -1.01 0.00 0.00 0.00 175.76 175.26 2e5s s HIS 42 N -1.10 3.40 -0.32 0.00 3.76 -1.26 -1.93 115.29 117.85 2e5s s HIS 42 Ca 0.43 -1.79 -0.29 0.00 -0.15 0.00 0.00 55.06 53.27 2e5s s HIS 42 Cb -0.29 -3.32 -0.01 0.00 1.11 0.00 0.00 32.58 30.06 2e5s s HIS 42 CO 0.37 -0.95 1.68 -1.25 -0.85 0.00 0.00 174.74 173.74 2e5s s PRO 43 N 1.37 3.50 0.25 8.40 0.04 -1.26 -4.89 135.00 142.42 2e5s s PRO 43 Ca 0.05 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 2e5s s PRO 43 Cb -0.25 -4.12 0.51 0.00 0.04 0.00 0.00 34.50 30.68 2e5s s PRO 43 CO -0.00 -1.65 1.72 0.00 0.04 0.00 0.00 177.00 177.11 2e5s h ALA 44 N 11.89 1.12 -3.43 8.56 0.00 -1.96 -3.39 119.26 132.05 2e5s h ALA 44 Ca -0.33 0.13 -0.66 0.00 0.00 0.00 0.00 54.91 54.06 2e5s h ALA 44 Cb 1.15 0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.84 2e5s h ALA 44 CO 1.03 -0.24 -0.70 0.34 0.00 0.00 0.00 179.25 179.69 2e5s s ASP 45 N -5.31 4.58 0.27 0.00 -1.08 -1.26 -5.01 116.67 108.86 2e5s s ASP 45 Ca -0.12 -0.14 -0.01 0.00 -0.52 0.00 0.00 52.55 51.76 2e5s s ASP 45 Cb 0.21 -1.55 0.60 0.00 -1.46 0.00 0.00 42.92 40.73 2e5s s ASP 45 CO 0.77 0.23 1.66 0.28 0.52 0.00 0.00 175.17 178.62 2e5s h SER 46 N 6.23 -0.04 -2.21 -0.34 0.02 -2.01 -3.42 113.55 111.77 2e5s h SER 46 Ca -0.35 0.18 -0.49 0.00 -0.84 0.00 0.00 61.79 60.29 2e5s h SER 46 Cb 1.19 0.26 0.24 0.00 0.14 0.00 0.00 62.40 64.22 2e5s h SER 46 CO 0.58 -0.12 -1.44 0.35 -1.14 0.00 0.00 176.83 175.06 2e5s n THR 47 N -5.22 0.00 -2.54 -2.27 -2.24 -1.26 -3.59 114.28 97.16 2e5s n THR 47 Ca 0.18 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2e5s n THR 47 Cb 0.59 -0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 2e5s n THR 47 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2e5s n MET 48 N -0.47 -2.20 -4.04 -0.78 0.00 -1.26 -5.01 117.12 103.36 2e5s n MET 48 Ca 0.01 0.55 -0.18 0.00 0.00 0.00 0.00 57.70 58.08 2e5s n MET 48 Cb 0.63 -4.65 -0.16 0.00 0.00 0.00 0.00 33.22 29.03 2e5s n MET 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2e5s s ILE 49 N -2.80 0.33 -0.23 1.12 1.01 -1.24 -4.73 121.20 114.66 2e5s s ILE 49 Ca 0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.61 2e5s s ILE 49 Cb -0.05 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 2e5s s ILE 49 CO 0.14 0.17 0.29 -0.62 0.00 0.00 0.00 174.94 174.92 2e5s s ASP 50 N 0.85 6.26 0.00 3.58 2.15 -1.26 -4.94 116.67 123.31 2e5s s ASP 50 Ca -0.10 0.30 0.14 0.00 0.43 0.00 0.00 52.55 53.32 2e5s s ASP 50 Cb -0.13 -2.17 0.85 0.00 -0.30 0.00 0.00 42.92 41.17 2e5s s ASP 50 CO -0.01 -0.04 1.40 0.35 -0.17 0.00 0.00 175.17 176.70 2e5s n THR 51 N 4.49 0.00 -0.07 1.71 -2.24 -1.26 0.11 114.28 117.03 2e5s n THR 51 Ca -0.11 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 2e5s n THR 51 Cb 0.51 -0.39 -0.13 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.78 2.04 0.00 3.42 7.64 -1.26 -4.74 113.62 119.94 2e5s n SER 52 Ca 0.11 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2e5s n SER 52 Cb 0.05 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 -3.51 4.37 -1.98 6.43 8.00 -1.18 -5.04 116.55 123.65 2e5s n ASP 53 Ca -0.39 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 54.99 2e5s n ASP 53 Cb 0.99 0.47 0.04 0.00 -0.02 0.00 0.00 41.12 42.60 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 -1.77 -4.13 -4.38 -2.24 5.15 0.31 -4.93 115.26 103.27 2e5s n ASN 54 Ca 0.00 -0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 53.43 2e5s n ASN 54 Cb 0.40 -2.73 -0.14 0.00 -0.53 0.00 0.00 39.78 36.79 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 -3.12 2.29 0.04 -0.44 -4.23 -1.26 -1.05 115.64 107.86 2e5s s THR 55 Ca 0.27 -1.50 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2e5s s THR 55 Cb -0.12 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 2e5s s THR 55 CO 0.34 0.26 -0.18 0.68 -0.54 0.00 0.00 174.62 175.18 2e5s s VAL 56 N -0.92 2.79 0.46 2.29 -7.23 0.29 -4.34 120.40 113.75 2e5s s VAL 56 Ca 0.13 -1.18 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 2e5s s VAL 56 Cb -0.10 -2.18 -0.08 0.00 0.56 0.00 0.00 36.38 34.58 2e5s s VAL 56 CO 0.04 0.34 1.08 -0.89 -0.31 0.00 0.00 175.10 175.36 2e5s s THR 57 N -0.92 3.55 -0.13 5.32 2.01 -1.26 -0.84 115.64 123.37 2e5s s THR 57 Ca 0.15 1.07 0.01 0.00 0.31 0.00 0.00 61.69 63.23 2e5s s THR 57 Cb -0.10 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 2e5s s THR 57 CO 0.05 -0.10 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.04 2e5s s VAL 58 N -1.76 2.82 -0.29 3.82 1.01 0.24 -3.42 120.40 122.83 2e5s s VAL 58 Ca 0.64 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 2e5s s VAL 58 Cb -0.22 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2e5s s VAL 58 CO 0.26 0.53 2.04 0.00 0.00 0.00 0.00 175.10 177.93 2e5s h MET 60 N 14.34 -0.56 -0.06 0.00 4.05 -1.94 -2.86 114.93 127.90 2e5s h MET 60 Ca -0.37 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.11 2e5s h MET 60 Cb 1.21 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.09 2e5s h MET 60 CO 1.00 -0.38 -0.47 0.22 0.23 0.00 0.00 176.91 177.52 2e5s h ASP 61 N -0.59 -1.46 -0.87 1.39 3.58 -1.89 -1.79 116.42 114.80 2e5s h ASP 61 Ca -0.00 0.17 0.17 0.00 0.42 0.00 0.00 57.03 57.79 2e5s h ASP 61 Cb 0.55 0.56 -0.16 0.00 1.72 0.00 0.00 39.33 42.00 2e5s h ASP 61 CO -0.09 -0.43 -0.21 0.00 -2.88 0.00 0.00 179.24 175.63 2e5s n TYR 62 N -5.03 0.31 -0.30 0.28 9.36 -1.17 0.15 117.16 120.77 2e5s n TYR 62 Ca -0.06 1.06 0.12 0.00 3.32 0.00 0.00 57.90 62.34 2e5s n TYR 62 Cb 0.33 -1.00 0.29 0.00 -0.63 0.00 0.00 39.34 38.33 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 0.41 0.00 2.97 1.08 -1.09 0.94 117.51 121.82 2e5s h ILE 63 Ca 0.42 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 2e5s h ILE 63 Cb 0.63 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.46 2e5s h ILE 63 CO -0.89 0.06 -0.07 0.11 -0.69 0.00 0.00 178.15 176.67 2e5s h LYS 64 N 0.30 0.00 0.00 2.37 1.57 0.15 -3.46 116.57 117.50 2e5s h LYS 64 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 2e5s h LYS 64 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2e5s h LYS 64 CO -0.58 0.07 0.00 0.41 -0.57 0.00 0.00 179.45 178.78 2e5s n GLY 65 N -1.12 2.08 2.84 3.86 0.00 0.33 -5.06 105.19 108.11 2e5s n GLY 65 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.08 1.11 -0.61 1.61 3.52 -1.25 -4.96 118.95 118.28 2e5s s ARG 66 Ca 0.00 -0.92 -0.14 0.00 -0.13 0.00 0.00 55.73 54.54 2e5s s ARG 66 Cb 0.00 -2.35 0.15 0.00 -1.56 0.00 0.00 34.95 31.20 2e5s s ARG 66 CO 0.00 -0.74 0.55 0.00 -0.81 0.00 0.00 175.30 174.30 2e5s n MET 68 N 4.82 0.40 -1.37 0.00 0.00 -1.26 -4.93 117.12 114.77 2e5s n MET 68 Ca -0.05 -0.06 -0.41 0.00 0.00 0.00 0.00 57.70 57.17 2e5s n MET 68 Cb 0.42 -1.57 -0.14 0.00 0.00 0.00 0.00 33.22 31.93 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 -2.04 0.00 -1.39 2.12 1.74 -1.26 -4.75 116.66 111.08 2e5s n ARG 69 Ca -0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 2e5s n ARG 69 Cb 0.47 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 2e5s n ARG 69 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2e5s n GLU 70 N 7.85 0.23 -3.82 5.56 2.13 -1.26 -1.30 120.64 130.03 2e5s n GLU 70 Ca 0.60 0.08 -0.25 0.00 0.66 0.00 0.00 57.16 58.26 2e5s n GLU 70 Cb 0.02 -1.19 -0.04 0.00 0.27 0.00 0.00 31.44 30.50 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 1.01 -0.81 -1.95 5.31 4.01 -1.26 -4.74 118.16 119.73 2e5s n LYS 71 Ca 0.13 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.51 2e5s n LYS 71 Cb 0.35 -2.14 -0.03 0.00 -0.51 0.00 0.00 35.03 32.71 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 8.06 2.55 -4.05 0.00 0.00 -1.26 -4.99 118.16 118.47 2e5s n LYS 73 Ca 0.22 -3.32 -0.23 0.00 -0.00 0.00 0.00 58.31 54.97 2e5s n LYS 73 Cb 0.45 -2.17 -0.04 0.00 -0.00 0.00 0.00 35.03 33.27 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 3.25 0.07 5.58 1.51 -1.26 -5.09 117.35 117.86 2e5s s TYR 74 Ca 0.57 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 56.30 2e5s s TYR 74 Cb 0.47 -1.50 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 2e5s s TYR 74 CO 0.03 0.50 0.98 0.12 -1.11 0.00 0.00 175.55 176.07 2e5s s PHE 75 N -1.95 3.74 -0.47 2.71 5.36 -1.22 -4.84 117.98 121.32 2e5s s PHE 75 Ca 0.33 1.75 -0.11 0.00 -0.96 0.00 0.00 56.93 57.93 2e5s s PHE 75 Cb -0.09 -3.09 0.11 0.00 -0.34 0.00 0.00 43.02 39.60 2e5s s PHE 75 CO 0.26 0.08 0.36 -1.01 -1.46 0.00 0.00 175.22 173.45 2e5s s HIS 76 N 0.39 3.35 0.91 10.12 3.76 -1.26 -3.23 115.29 129.32 2e5s s HIS 76 Ca 0.49 -1.56 -0.12 0.00 -0.15 0.00 0.00 55.06 53.73 2e5s s HIS 76 Cb -0.23 -3.40 0.13 0.00 1.11 0.00 0.00 32.58 30.20 2e5s s HIS 76 CO 0.29 -0.94 1.09 -1.25 -0.85 0.00 0.00 174.74 173.08 2e5s s PRO 77 N 1.46 1.17 1.21 8.40 0.04 -1.26 -5.05 135.00 140.97 2e5s s PRO 77 Ca 0.04 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 61.67 2e5s s PRO 77 Cb -0.26 -1.80 0.30 0.00 0.04 0.00 0.00 34.50 32.78 2e5s s PRO 77 CO 0.02 -2.29 1.07 -0.35 0.04 0.00 0.00 177.00 175.48 2e5s n PRO 78 N -3.92 -3.11 0.13 0.56 -0.04 -1.26 -4.70 135.00 122.67 2e5s n PRO 78 Ca 0.07 -1.72 -0.05 0.00 -0.04 0.00 0.00 63.50 61.76 2e5s n PRO 78 Cb 0.55 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.79 -0.82 0.55 0.00 -1.97 0.19 119.26 113.70 2e5s h ALA 79 Ca -0.40 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 54.68 2e5s h ALA 79 Cb 1.23 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 2e5s h ALA 79 CO 0.26 -0.76 0.10 -2.39 0.00 0.00 0.00 179.25 176.46 2e5s n HIS 80 N -3.28 0.60 -0.04 0.00 1.44 -1.26 0.47 115.22 113.15 2e5s n HIS 80 Ca -0.04 0.98 -0.14 0.00 -2.01 0.00 0.00 57.72 56.51 2e5s n HIS 80 Cb 0.14 -1.17 -0.11 0.00 0.12 0.00 0.00 29.99 28.97 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 0.04 -1.13 2.39 3.38 -1.93 -3.23 115.31 114.83 2e5s h LEU 81 Ca 0.53 -0.70 0.41 0.00 0.09 0.00 0.00 57.88 58.21 2e5s h LEU 81 Cb 1.18 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2e5s h LEU 81 CO -0.74 0.73 0.70 0.00 0.09 0.00 0.00 178.44 179.21 2e5s n GLN 82 N -4.72 -0.04 -0.03 1.13 6.02 0.18 0.16 117.38 120.08 2e5s n GLN 82 Ca -0.09 1.13 -0.15 0.00 -0.01 0.00 0.00 57.00 57.88 2e5s n GLN 82 Cb 0.36 -2.17 -0.10 0.00 1.02 0.00 0.00 30.24 29.36 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 1.48 0.11 -1.07 -1.58 0.00 -1.45 -2.82 119.26 113.94 2e5s h ALA 83 Ca 0.77 -0.43 0.40 0.00 0.00 0.00 0.00 54.91 55.64 2e5s h ALA 83 Cb 2.36 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 19.98 2e5s h ALA 83 CO -0.48 0.15 0.61 0.87 0.00 0.00 0.00 179.25 180.41 2e5s h LYS 84 N -0.22 0.08 0.07 0.00 1.57 0.15 0.30 116.57 118.53 2e5s h LYS 84 Ca -0.02 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2e5s h LYS 84 Cb 0.95 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.25 2e5s h LYS 84 CO 0.06 0.06 -0.41 0.82 -0.57 0.00 0.00 179.45 179.40 2e5s h ILE 85 N 0.09 1.65 -0.16 1.86 5.03 -1.53 -3.36 117.51 121.08 2e5s h ILE 85 Ca 0.82 -2.44 0.05 0.00 -0.12 0.00 0.00 64.86 63.17 2e5s h ILE 85 Cb 2.20 3.30 -0.06 0.00 -3.03 0.00 0.00 36.82 39.23 2e5s h ILE 85 CO -0.67 0.66 -0.29 0.11 -0.68 0.00 0.00 178.15 177.29 2e5s h LYS 86 N -0.69 -0.33 -0.73 2.37 1.57 -0.29 -2.08 116.57 116.40 2e5s h LYS 86 Ca -0.07 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2e5s h LYS 86 Cb 1.32 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.57 2e5s h LYS 86 CO 0.08 -0.22 -0.19 0.00 -0.57 0.00 0.00 179.45 178.54 2e5s n ALA 87 N -2.81 0.14 -0.13 3.86 0.00 0.40 0.11 120.51 122.08 2e5s n ALA 87 Ca -0.02 0.79 -0.05 0.00 0.00 0.00 0.00 53.44 54.16 2e5s n ALA 87 Cb 0.31 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.31 2e5s n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5s h ALA 88 N 1.40 0.11 0.37 0.00 0.00 -1.53 -2.45 119.26 117.16 2e5s h ALA 88 Ca 0.34 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2e5s h ALA 88 Cb 0.52 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2e5s h ALA 88 CO -0.75 -0.56 -0.18 1.96 0.00 0.00 0.00 179.25 179.72 2e5s h GLN 89 N -0.12 -0.48 -6.35 0.00 7.50 0.77 -3.42 115.11 113.01 2e5s h GLN 89 Ca 0.21 0.03 -0.54 0.00 0.50 0.00 0.00 58.65 58.85 2e5s h GLN 89 Cb 0.45 0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.09 2e5s h GLN 89 CO -0.52 -0.25 0.94 -1.58 -1.50 0.00 0.00 178.83 175.92 2e5s s HIS 90 N -5.60 2.54 -0.45 2.96 5.65 -0.47 -4.88 115.29 115.04 2e5s s HIS 90 Ca -0.15 0.56 -0.45 0.00 0.25 0.00 0.00 55.06 55.27 2e5s s HIS 90 Cb 0.04 -3.78 -0.19 0.00 -1.18 0.00 0.00 32.58 27.47 2e5s s HIS 90 CO 0.61 -3.06 1.68 0.00 -0.65 0.00 0.00 174.74 173.32 2e5s n GLN 91 N 5.95 0.30 -3.82 2.88 10.64 -1.26 -4.76 117.38 127.30 2e5s n GLN 91 Ca 0.15 0.11 -0.13 0.00 -1.83 0.00 0.00 57.00 55.30 2e5s n GLN 91 Cb 0.43 -1.66 -0.14 0.00 -0.86 0.00 0.00 30.24 28.01 2e5s n GLN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2e5s s ALA 92 N 3.42 -0.14 -0.93 2.61 0.00 -1.26 -5.08 121.76 120.37 2e5s s ALA 92 Ca 1.05 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 2e5s s ALA 92 Cb -1.39 -0.18 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 2e5s s ALA 92 CO 0.77 -0.06 2.01 1.21 0.00 0.00 0.00 175.76 179.69 2e5s s ASN 93 N 0.35 4.90 -0.12 0.00 2.47 -1.26 -4.82 114.94 116.46 2e5s s ASN 93 Ca -0.03 -0.73 -0.31 0.00 0.42 0.00 0.00 52.86 52.21 2e5s s ASN 93 Cb -0.04 -2.56 0.12 0.00 -1.45 0.00 0.00 41.25 37.32 2e5s s ASN 93 CO -0.01 -3.02 1.04 0.00 -3.72 0.00 0.00 177.10 171.39 2e5s s GLN 94 N 7.24 0.56 -0.04 0.43 1.03 -1.26 -5.17 119.66 122.45 2e5s s GLN 94 Ca 0.73 -0.12 -0.01 0.00 0.04 0.00 0.00 55.36 56.01 2e5s s GLN 94 Cb -0.07 0.26 0.03 0.00 0.03 0.00 0.00 33.01 33.26 2e5s s GLN 94 CO 0.03 -0.23 0.01 0.00 -2.54 0.00 0.00 175.29 172.57 2e5s s ALA 95 N -2.32 0.39 -0.30 2.60 0.00 -1.26 -5.11 121.76 115.76 2e5s s ALA 95 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2e5s s ALA 95 Cb -0.01 -0.48 0.19 0.00 0.00 0.00 0.00 23.12 22.82 2e5s s ALA 95 CO -0.05 -0.25 0.60 0.00 0.00 0.00 0.00 175.76 176.06 2e5s s ALA 96 N 1.49 -2.26 -0.20 0.00 0.00 -1.26 -5.14 121.76 114.38 2e5s s ALA 96 Ca -0.03 1.81 -0.05 0.00 0.00 0.00 0.00 51.96 53.69 2e5s s ALA 96 Cb -0.13 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2e5s s ALA 96 CO -0.03 -1.35 0.00 0.54 0.00 0.00 0.00 175.76 174.93 2e5s s VAL 97 N 2.86 4.00 -2.67 0.00 0.11 -1.26 -5.22 120.40 118.22 2e5s s VAL 97 Ca 0.21 -0.30 0.27 0.00 -2.93 0.00 0.00 61.98 59.22 2e5s s VAL 97 Cb -0.15 -2.81 0.43 0.00 -1.53 0.00 0.00 36.38 32.33 2e5s s VAL 97 CO -0.21 0.43 1.58 0.00 -3.33 0.00 0.00 175.10 173.57