#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 2.58 0.25 1.61 1.04 -1.26 -5.16 113.70 112.76 2e5s s SER 2 Ca 0.00 -1.15 0.08 0.00 0.48 0.00 0.00 55.95 55.37 2e5s s SER 2 Cb 0.00 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2e5s s SER 2 CO 0.00 -0.32 0.06 -0.55 0.98 0.00 0.00 173.24 173.41 2e5s s SER 3 N -3.39 4.90 -0.54 7.02 0.15 -1.26 -5.09 113.70 115.51 2e5s s SER 3 Ca 0.27 -0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.24 2e5s s SER 3 Cb 0.03 -1.06 0.06 0.00 -1.71 0.00 0.00 66.02 63.35 2e5s s SER 3 CO 0.10 -0.00 0.71 -0.83 1.20 0.00 0.00 173.24 174.42 2e5s s GLY 4 N -3.64 1.69 -0.51 9.45 0.00 -1.26 -5.01 107.32 108.04 2e5s s GLY 4 Ca 0.31 -1.75 -0.16 0.00 0.00 0.00 0.00 44.72 43.12 2e5s s GLY 4 CO 0.21 1.61 0.48 -0.56 0.00 0.00 0.00 173.10 174.85 2e5s s SER 5 N 2.92 6.17 -0.43 1.64 0.01 -1.26 -4.99 113.70 117.76 2e5s s SER 5 Ca 0.17 -1.46 0.02 0.00 1.31 0.00 0.00 55.95 55.99 2e5s s SER 5 Cb -0.19 -2.21 0.14 0.00 0.21 0.00 0.00 66.02 63.97 2e5s s SER 5 CO 0.12 -0.79 0.25 -0.44 0.41 0.00 0.00 173.24 172.79 2e5s s SER 6 N 3.05 3.43 0.00 2.44 0.01 -1.26 -5.06 113.70 116.31 2e5s s SER 6 Ca 0.05 -2.61 0.00 0.00 1.31 0.00 0.00 55.95 54.71 2e5s s SER 6 Cb -0.26 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2e5s s SER 6 CO 0.06 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2e5s n GLY 7 N 3.54 -0.92 3.54 3.44 0.00 -1.26 -5.14 105.19 108.38 2e5s n GLY 7 Ca 0.11 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2e5s n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e5s n SER 8 N 0.00 -0.24 -4.47 1.61 2.88 -1.26 -4.93 113.62 107.22 2e5s n SER 8 Ca 0.00 0.74 -0.43 0.00 -1.33 0.00 0.00 58.87 57.84 2e5s n SER 8 Cb 0.00 -1.28 -0.08 0.00 -0.75 0.00 0.00 64.21 62.10 2e5s n SER 8 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2e5s s THR 9 N -1.67 5.01 -0.20 2.46 2.01 -1.26 -5.02 115.64 116.97 2e5s s THR 9 Ca 0.72 -0.42 -0.16 0.00 0.31 0.00 0.00 61.69 62.14 2e5s s THR 9 Cb -0.41 -4.14 0.06 0.00 0.01 0.00 0.00 72.50 68.01 2e5s s THR 9 CO 0.51 -0.57 0.52 0.00 -0.69 0.00 0.00 174.62 174.39 2e5s s ALA 10 N 2.30 -1.30 0.00 7.40 0.00 -1.26 -5.03 121.76 123.86 2e5s s ALA 10 Ca 0.13 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.69 2e5s s ALA 10 Cb -0.18 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2e5s s ALA 10 CO 0.13 -0.27 0.00 -2.37 0.00 0.00 0.00 175.76 173.25 2e5s n THR 11 N 3.30 0.00 -3.52 0.00 5.66 -1.26 -4.94 114.28 113.51 2e5s n THR 11 Ca -0.16 -0.15 -0.41 0.00 -3.05 0.00 0.00 64.05 60.27 2e5s n THR 11 Cb 0.56 0.63 -0.08 0.00 -1.55 0.00 0.00 70.33 69.89 2e5s n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2e5s s GLN 12 N -1.41 2.56 -0.49 1.09 0.00 -1.26 -4.93 119.66 115.22 2e5s s GLN 12 Ca 0.00 -1.80 0.03 0.00 -0.00 0.00 0.00 55.36 53.59 2e5s s GLN 12 Cb 0.00 -3.98 0.44 0.00 0.00 0.00 0.00 33.01 29.47 2e5s s GLN 12 CO 0.00 -1.21 1.53 0.36 0.00 0.00 0.00 175.29 175.97 2e5s n LYS 13 N 4.88 3.21 -3.64 9.60 2.85 -1.26 -4.95 118.16 128.84 2e5s n LYS 13 Ca -0.07 -3.88 -0.07 0.00 -1.05 0.00 0.00 58.31 53.24 2e5s n LYS 13 Cb 0.41 -2.28 -0.07 0.00 -0.65 0.00 0.00 35.03 32.44 2e5s n LYS 13 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2e5s s LEU 14 N -3.72 -0.64 0.57 -5.58 2.34 -1.26 -5.16 118.68 105.24 2e5s s LEU 14 Ca 0.55 1.09 -0.21 0.00 0.06 0.00 0.00 54.13 55.62 2e5s s LEU 14 Cb 0.44 2.03 -0.04 0.00 -0.56 0.00 0.00 46.19 48.07 2e5s s LEU 14 CO -0.06 -0.18 1.31 -1.48 -1.06 0.00 0.00 176.35 174.88 2e5s s LEU 15 N 1.03 3.77 0.22 1.48 2.34 -1.26 -5.04 118.68 121.23 2e5s s LEU 15 Ca -0.05 2.66 0.02 0.00 0.06 0.00 0.00 54.13 56.82 2e5s s LEU 15 Cb -0.04 -4.39 -0.05 0.00 -0.56 0.00 0.00 46.19 41.14 2e5s s LEU 15 CO -0.12 -1.64 0.04 -0.13 -1.06 0.00 0.00 176.35 173.44 2e5s s ARG 16 N -3.06 1.30 -0.01 1.48 0.52 -1.26 -5.06 118.95 112.86 2e5s s ARG 16 Ca 0.74 -1.67 0.11 0.00 -0.52 0.00 0.00 55.73 54.39 2e5s s ARG 16 Cb -0.38 -0.36 -0.16 0.00 0.52 0.00 0.00 34.95 34.57 2e5s s ARG 16 CO 0.43 -0.19 0.24 -2.37 0.02 0.00 0.00 175.30 173.43 2e5s n THR 17 N -0.38 0.00 -1.50 0.02 5.66 -1.26 -4.59 114.28 112.22 2e5s n THR 17 Ca -0.03 -0.24 -0.32 0.00 -3.05 0.00 0.00 64.05 60.40 2e5s n THR 17 Cb 0.65 0.29 0.03 0.00 -1.55 0.00 0.00 70.33 69.75 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 -1.84 7.19 -3.72 1.09 5.75 -1.26 -4.87 116.55 118.90 2e5s n ASP 18 Ca -0.02 -3.57 -0.17 0.00 -0.01 0.00 0.00 54.79 51.03 2e5s n ASP 18 Cb 0.27 -1.08 -0.16 0.00 -1.03 0.00 0.00 41.12 39.12 2e5s n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2e5s s LYS 19 N -3.14 -0.02 -0.08 0.11 -0.14 -1.26 -0.45 119.74 114.75 2e5s s LYS 19 Ca 0.54 0.34 0.03 0.00 -1.36 0.00 0.00 55.97 55.52 2e5s s LYS 19 Cb 0.42 -0.33 -0.01 0.00 -1.68 0.00 0.00 37.83 36.22 2e5s s LYS 19 CO -0.20 -0.24 -0.18 -0.51 -0.76 0.00 0.00 175.35 173.45 2e5s s LEU 20 N 1.64 2.44 -0.24 3.17 1.43 -0.31 -4.94 118.68 121.88 2e5s s LEU 20 Ca -0.03 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 2e5s s LEU 20 Cb -0.12 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 2e5s s LEU 20 CO -0.04 0.24 1.26 -1.61 0.23 0.00 0.00 176.35 176.43 2e5s s GLU 21 N -0.10 4.08 0.26 1.70 2.02 -1.26 -0.50 118.70 124.90 2e5s s GLU 21 Ca -0.04 1.43 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 2e5s s GLU 21 Cb -0.14 -3.81 -0.10 0.00 0.10 0.00 0.00 34.13 30.19 2e5s s GLU 21 CO 0.04 -0.90 1.37 0.08 0.02 0.00 0.00 175.26 175.87 2e5s s VAL 22 N 3.88 2.82 0.36 2.63 1.01 -0.62 -3.36 120.40 127.12 2e5s s VAL 22 Ca 0.54 0.72 -0.27 0.00 0.00 0.00 0.00 61.98 62.97 2e5s s VAL 22 Cb -0.19 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 2e5s s VAL 22 CO 0.18 0.13 1.23 0.00 0.00 0.00 0.00 175.10 176.63 2e5s h ARG 24 N 3.11 0.00 0.07 0.00 3.08 -1.95 -3.35 114.38 115.34 2e5s h ARG 24 Ca -0.49 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 2e5s h ARG 24 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2e5s h ARG 24 CO 0.64 0.35 -0.03 0.93 -1.07 0.00 0.00 179.97 180.79 2e5s h GLU 25 N 0.00 -0.09 -0.76 0.04 5.08 -1.95 -3.28 114.58 113.62 2e5s h GLU 25 Ca -0.19 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.33 2e5s h GLU 25 Cb 1.70 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 30.83 2e5s h GLU 25 CO 0.06 0.47 -0.15 0.35 -1.00 0.00 0.00 179.01 178.74 2e5s h PHE 26 N -0.89 -0.33 -0.43 4.33 3.04 -1.87 0.15 116.94 120.94 2e5s h PHE 26 Ca -0.01 0.07 0.09 0.00 3.98 0.00 0.00 57.97 62.09 2e5s h PHE 26 Cb 0.60 0.26 -0.09 0.00 2.56 0.00 0.00 35.95 39.28 2e5s h PHE 26 CO 0.14 -0.31 -0.21 1.96 -2.02 0.00 0.00 178.31 177.87 2e5s h GLN 27 N 0.02 -0.12 -0.09 1.11 4.20 -1.69 0.53 115.11 119.06 2e5s h GLN 27 Ca 0.38 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2e5s h GLN 27 Cb 0.60 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2e5s h GLN 27 CO -0.76 -0.08 0.00 2.89 -0.67 0.00 0.00 178.83 180.22 2e5s n ARG 28 N -5.39 1.22 -3.27 1.46 1.85 0.08 -4.89 116.66 107.73 2e5s n ARG 28 Ca 0.03 -0.34 -0.15 0.00 -1.00 0.00 0.00 57.85 56.38 2e5s n ARG 28 Cb 0.30 -1.12 0.08 0.00 -1.05 0.00 0.00 32.46 30.66 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 0.70 -0.37 0.00 2.89 0.00 0.18 -4.93 105.19 103.66 2e5s n GLY 29 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.95 4.49 -4.70 1.61 5.15 0.18 -4.96 115.26 114.08 2e5s n ASN 30 Ca -0.24 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.32 2e5s n ASN 30 Cb 0.65 0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 40.52 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 4.88 2.55 0.71 0.00 0.00 -1.26 -4.22 120.51 123.16 2e5s n ALA 32 Ca 0.16 -0.62 0.09 0.00 0.00 0.00 0.00 53.44 53.06 2e5s n ALA 32 Cb 0.38 -0.61 0.41 0.00 0.00 0.00 0.00 19.45 19.64 2e5s n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2e5s n ARG 33 N -2.30 0.09 -0.53 0.00 1.74 -1.26 -4.98 116.66 109.42 2e5s n ARG 33 Ca -0.08 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.23 2e5s n ARG 33 Cb 0.64 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.56 2e5s n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2e5s n GLY 34 N 0.32 -0.74 0.19 -0.13 0.00 -1.26 -0.39 105.19 103.19 2e5s n GLY 34 Ca 0.06 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.92 1.19 -0.04 1.61 2.13 -1.26 -0.59 120.64 121.76 2e5s n GLU 35 Ca 0.00 -0.26 -0.03 0.00 0.66 0.00 0.00 57.16 57.54 2e5s n GLU 35 Cb 0.24 -1.12 -0.10 0.00 0.27 0.00 0.00 31.44 30.74 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 -0.25 0.60 0.02 6.31 -2.24 -1.24 -4.66 114.28 112.82 2e5s n THR 36 Ca 0.02 -0.45 0.01 0.00 -2.27 0.00 0.00 64.05 61.36 2e5s n THR 36 Cb 0.10 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 67.88 2e5s n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2e5s n ASP 37 N -2.31 3.15 -4.79 3.42 2.03 0.48 -5.02 116.55 113.51 2e5s n ASP 37 Ca -0.15 -0.18 -0.39 0.00 0.52 0.00 0.00 54.79 54.59 2e5s n ASP 37 Cb 0.74 1.04 -0.06 0.00 -0.72 0.00 0.00 41.12 42.12 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 1.61 2.74 -5.25 0.00 1.85 -1.26 -4.78 116.66 111.58 2e5s n ARG 39 Ca -0.07 -1.42 -0.32 0.00 -1.00 0.00 0.00 57.85 55.04 2e5s n ARG 39 Cb 0.49 -1.83 -0.16 0.00 -1.05 0.00 0.00 32.46 29.91 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 -1.79 2.46 -0.03 2.89 0.40 -1.26 -4.90 117.98 115.75 2e5s s PHE 40 Ca 0.25 -0.74 -0.30 0.00 -0.60 0.00 0.00 56.93 55.54 2e5s s PHE 40 Cb 0.19 -1.61 -0.06 0.00 0.51 0.00 0.00 43.02 42.04 2e5s s PHE 40 CO 0.07 -0.23 1.69 0.00 0.70 0.00 0.00 175.22 177.45 2e5s s ALA 41 N -0.12 3.62 -0.52 5.36 0.00 -1.21 -4.69 121.76 124.19 2e5s s ALA 41 Ca -0.05 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 2e5s s ALA 41 Cb -0.14 -3.75 0.12 0.00 0.00 0.00 0.00 23.12 19.35 2e5s s ALA 41 CO 0.04 -1.37 0.46 -1.01 0.00 0.00 0.00 175.76 173.88 2e5s s HIS 42 N 3.89 3.28 0.10 0.00 3.76 -1.26 -3.12 115.29 121.94 2e5s s HIS 42 Ca 0.75 -1.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.28 2e5s s HIS 42 Cb -0.35 -3.67 0.02 0.00 1.11 0.00 0.00 32.58 29.69 2e5s s HIS 42 CO 0.31 -0.99 0.09 -0.35 -0.85 0.00 0.00 174.74 172.95 2e5s n PRO 43 N 5.18 -1.19 -0.38 8.40 -0.04 -1.26 -4.97 135.00 140.74 2e5s n PRO 43 Ca -0.13 -0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.27 2e5s n PRO 43 Cb 0.41 -0.13 0.25 0.00 -0.04 0.00 0.00 33.50 33.98 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 -3.15 2.64 -2.52 0.55 0.00 -1.26 -4.94 120.51 111.84 2e5s n ALA 44 Ca -0.02 -1.57 -0.07 0.00 0.00 0.00 0.00 53.44 51.78 2e5s n ALA 44 Cb 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 18.82 2e5s n ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e5s n ASP 45 N 0.49 -3.06 -4.08 0.00 2.03 -1.26 -5.05 116.55 105.62 2e5s n ASP 45 Ca 0.19 -0.10 -0.14 0.00 0.52 0.00 0.00 54.79 55.26 2e5s n ASP 45 Cb 0.68 -1.98 0.05 0.00 -0.72 0.00 0.00 41.12 39.15 2e5s n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2e5s n SER 46 N 0.33 1.45 -2.02 1.67 2.88 -1.26 -4.95 113.62 111.72 2e5s n SER 46 Ca -0.04 -2.07 -0.08 0.00 -1.33 0.00 0.00 58.87 55.35 2e5s n SER 46 Cb 0.54 -0.32 -0.11 0.00 -0.75 0.00 0.00 64.21 63.56 2e5s n SER 46 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2e5s n THR 47 N -1.97 2.26 -0.01 2.46 -2.24 -1.26 -3.46 114.28 110.05 2e5s n THR 47 Ca 0.12 -1.06 -0.01 0.00 -2.27 0.00 0.00 64.05 60.83 2e5s n THR 47 Cb 0.43 -1.82 -0.03 0.00 -2.10 0.00 0.00 70.33 66.82 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 2.43 2.55 -2.68 -0.78 0.00 -1.26 -5.02 117.12 112.36 2e5s n MET 48 Ca 0.29 -0.01 -0.41 0.00 0.00 0.00 0.00 57.70 57.57 2e5s n MET 48 Cb 0.68 -1.09 -0.05 0.00 0.00 0.00 0.00 33.22 32.76 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 -2.14 4.15 -0.21 1.12 1.01 -1.22 -4.84 121.20 119.07 2e5s s ILE 49 Ca -0.02 1.95 -0.08 0.00 0.00 0.00 0.00 60.65 62.51 2e5s s ILE 49 Cb 0.01 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2e5s s ILE 49 CO 0.15 0.38 0.07 -0.62 0.00 0.00 0.00 174.94 174.93 2e5s s ASP 50 N -0.53 5.45 0.00 3.58 2.15 -1.26 -4.96 116.67 121.10 2e5s s ASP 50 Ca 0.45 -0.04 0.12 0.00 0.43 0.00 0.00 52.55 53.52 2e5s s ASP 50 Cb -0.26 -1.96 0.74 0.00 -0.30 0.00 0.00 42.92 41.14 2e5s s ASP 50 CO 0.32 0.08 1.39 0.35 -0.17 0.00 0.00 175.17 177.15 2e5s n THR 51 N 4.16 0.00 -0.10 1.71 -2.24 -1.26 0.95 114.28 117.50 2e5s n THR 51 Ca -0.16 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 2e5s n THR 51 Cb 0.52 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.71 1.80 0.00 3.42 7.64 -1.26 -4.78 113.62 119.73 2e5s n SER 52 Ca 0.09 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2e5s n SER 52 Cb 0.04 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 -3.25 3.16 -1.99 6.43 9.92 -1.19 -5.05 116.55 124.58 2e5s n ASP 53 Ca -0.42 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.74 2e5s n ASP 53 Cb 1.02 0.31 0.04 0.00 -0.64 0.00 0.00 41.12 41.84 2e5s n ASP 53 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2e5s n ASN 54 N -1.48 -3.25 -4.33 -2.24 5.15 0.27 -4.95 115.26 104.43 2e5s n ASN 54 Ca 0.00 -0.26 -0.22 0.00 -0.60 0.00 0.00 54.58 53.50 2e5s n ASN 54 Cb 0.32 -2.59 -0.11 0.00 -0.53 0.00 0.00 39.78 36.86 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 -3.15 1.80 0.19 -0.44 -4.23 -1.26 -1.58 115.64 106.97 2e5s s THR 55 Ca 0.17 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 58.87 2e5s s THR 55 Cb -0.07 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2e5s s THR 55 CO 0.33 -0.32 -0.22 0.68 -0.54 0.00 0.00 174.62 174.56 2e5s s VAL 56 N -2.04 2.19 0.27 2.29 -7.23 0.34 -4.33 120.40 111.90 2e5s s VAL 56 Ca 0.15 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 58.13 2e5s s VAL 56 Cb -0.06 -2.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.75 2e5s s VAL 56 CO 0.06 -0.20 0.73 -0.89 -0.31 0.00 0.00 175.10 174.49 2e5s s THR 57 N -1.84 4.64 -0.06 5.32 2.01 -1.26 -1.16 115.64 123.29 2e5s s THR 57 Ca 0.20 1.09 0.04 0.00 0.31 0.00 0.00 61.69 63.33 2e5s s THR 57 Cb -0.07 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2e5s s THR 57 CO 0.09 -0.00 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.17 2e5s s VAL 58 N -1.77 2.87 0.64 3.82 1.01 0.40 -2.62 120.40 124.76 2e5s s VAL 58 Ca 0.49 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2e5s s VAL 58 Cb -0.13 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2e5s s VAL 58 CO 0.19 0.58 1.18 0.00 0.00 0.00 0.00 175.10 177.05 2e5s n MET 60 N -2.05 0.69 0.22 0.00 1.56 -1.26 -4.15 117.12 112.13 2e5s n MET 60 Ca 0.13 0.19 -0.11 0.00 -0.27 0.00 0.00 57.70 57.63 2e5s n MET 60 Cb 0.50 -1.60 -0.06 0.00 2.15 0.00 0.00 33.22 34.22 2e5s n MET 60 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2e5s h ASP 61 N 0.03 -0.53 -1.22 6.12 5.19 -1.94 -3.19 116.42 120.88 2e5s h ASP 61 Ca -0.51 -0.04 0.39 0.00 -0.62 0.00 0.00 57.03 56.25 2e5s h ASP 61 Cb 1.97 0.14 -0.12 0.00 0.18 0.00 0.00 39.33 41.50 2e5s h ASP 61 CO -0.01 -0.11 0.78 0.22 -3.12 0.00 0.00 179.24 177.00 2e5s h TYR 62 N -1.11 0.58 -0.36 4.55 3.20 -1.81 0.12 116.97 122.14 2e5s h TYR 62 Ca -0.06 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.91 2e5s h TYR 62 Cb 0.54 -0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 2e5s h TYR 62 CO 0.01 -0.14 -0.27 0.82 -1.64 0.00 0.00 178.16 176.94 2e5s h ILE 63 N 0.17 0.32 0.00 1.81 1.08 -1.71 0.25 117.51 119.43 2e5s h ILE 63 Ca 0.76 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 65.22 2e5s h ILE 63 Cb 2.25 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 36.32 2e5s h ILE 63 CO -0.41 0.00 -0.04 0.07 -0.69 0.00 0.00 178.15 177.09 2e5s h LYS 64 N -0.22 0.00 0.00 2.37 2.10 -0.87 -3.46 116.57 116.50 2e5s h LYS 64 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2e5s h LYS 64 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2e5s h LYS 64 CO -0.49 0.04 0.00 0.41 -2.00 0.00 0.00 179.45 177.41 2e5s n GLY 65 N -1.19 1.51 2.86 0.07 0.00 0.89 -5.08 105.19 104.25 2e5s n GLY 65 Ca -0.03 0.00 -0.30 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 0.00 1.20 -0.40 1.61 6.06 -1.23 -4.94 118.95 121.25 2e5s s ARG 66 Ca 0.00 -0.97 -0.03 0.00 -2.50 0.00 0.00 55.73 52.23 2e5s s ARG 66 Cb 0.00 -2.41 0.10 0.00 0.06 0.00 0.00 34.95 32.70 2e5s s ARG 66 CO 0.00 -0.73 0.18 0.00 -2.50 0.00 0.00 175.30 172.25 2e5s n MET 68 N 4.61 0.72 -0.31 0.00 0.00 -1.26 -4.91 117.12 115.96 2e5s n MET 68 Ca -0.04 -2.18 -0.29 0.00 0.00 0.00 0.00 57.70 55.20 2e5s n MET 68 Cb 0.42 -0.93 0.27 0.00 0.00 0.00 0.00 33.22 32.98 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 -0.56 -4.14 -2.67 2.12 1.74 -1.26 -4.89 116.66 106.99 2e5s n ARG 69 Ca 0.10 -1.22 -0.43 0.00 -0.77 0.00 0.00 57.85 55.53 2e5s n ARG 69 Cb 0.77 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 2e5s n ARG 69 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2e5s s GLU 70 N -4.73 3.81 -1.38 5.56 2.12 -1.26 -4.08 118.70 118.75 2e5s s GLU 70 Ca 0.64 0.65 -0.11 0.00 0.36 0.00 0.00 54.97 56.51 2e5s s GLU 70 Cb -0.14 -3.85 0.01 0.00 0.26 0.00 0.00 34.13 30.41 2e5s s GLU 70 CO 0.56 -1.17 0.39 1.63 -0.54 0.00 0.00 175.26 176.13 2e5s n LYS 71 N 7.33 -1.57 -1.65 4.30 4.76 -1.26 -4.74 118.16 125.33 2e5s n LYS 71 Ca 0.10 0.24 -0.56 0.00 -2.87 0.00 0.00 58.31 55.22 2e5s n LYS 71 Cb 0.48 -3.72 -0.07 0.00 -1.84 0.00 0.00 35.03 29.88 2e5s n LYS 71 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e5s n LYS 73 N 3.81 3.29 -4.38 0.00 2.85 -1.26 -5.05 118.16 117.43 2e5s n LYS 73 Ca 0.23 -4.07 -0.26 0.00 -1.05 0.00 0.00 58.31 53.16 2e5s n LYS 73 Cb 0.14 -2.16 -0.10 0.00 -0.65 0.00 0.00 35.03 32.26 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 -3.63 2.46 0.34 5.58 1.51 -1.26 -5.07 117.35 117.28 2e5s s TYR 74 Ca 0.47 -0.29 -0.27 0.00 -1.01 0.00 0.00 57.07 55.97 2e5s s TYR 74 Cb 0.40 -1.16 -0.09 0.00 -0.11 0.00 0.00 41.96 41.00 2e5s s TYR 74 CO 0.02 0.57 1.07 0.12 -1.11 0.00 0.00 175.55 176.22 2e5s s PHE 75 N -1.98 3.42 -0.35 2.71 5.36 -1.08 -4.76 117.98 121.31 2e5s s PHE 75 Ca 0.26 1.68 -0.03 0.00 -0.96 0.00 0.00 56.93 57.87 2e5s s PHE 75 Cb -0.07 -3.20 0.07 0.00 -0.34 0.00 0.00 43.02 39.48 2e5s s PHE 75 CO 0.14 -0.58 0.10 -1.01 -1.46 0.00 0.00 175.22 172.41 2e5s s HIS 76 N -1.41 3.38 0.92 10.12 3.76 -1.26 -2.80 115.29 128.00 2e5s s HIS 76 Ca 0.51 -1.99 -0.12 0.00 -0.15 0.00 0.00 55.06 53.32 2e5s s HIS 76 Cb -0.27 -2.56 0.14 0.00 1.11 0.00 0.00 32.58 31.00 2e5s s HIS 76 CO 0.34 -0.85 1.09 -1.25 -0.85 0.00 0.00 174.74 173.22 2e5s s PRO 77 N 1.24 1.10 1.26 8.40 0.04 -1.26 -5.05 135.00 140.72 2e5s s PRO 77 Ca 0.01 0.76 -0.21 0.00 0.04 0.00 0.00 61.00 61.59 2e5s s PRO 77 Cb -0.21 -1.79 0.31 0.00 0.04 0.00 0.00 34.50 32.85 2e5s s PRO 77 CO -0.01 -2.34 1.11 -1.25 0.04 0.00 0.00 177.00 174.55 2e5s s PRO 78 N -4.94 -1.66 0.05 0.56 0.04 -1.26 -4.67 135.00 123.12 2e5s s PRO 78 Ca 0.64 -0.22 -0.33 0.00 0.04 0.00 0.00 61.00 61.13 2e5s s PRO 78 Cb -0.18 -1.56 -0.18 0.00 0.04 0.00 0.00 34.50 32.62 2e5s s PRO 78 CO 0.57 -3.97 1.47 0.00 0.04 0.00 0.00 177.00 175.10 2e5s h ALA 79 N -2.76 -1.30 -0.55 8.56 0.00 -1.96 0.82 119.26 122.06 2e5s h ALA 79 Ca -0.42 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.31 2e5s h ALA 79 Cb 1.28 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 2e5s h ALA 79 CO 0.27 -1.21 -0.48 1.12 0.00 0.00 0.00 179.25 178.96 2e5s h HIS 80 N -1.20 -1.43 -0.05 0.00 -0.00 -1.96 -1.20 115.15 109.31 2e5s h HIS 80 Ca -0.12 0.08 0.03 0.00 -0.00 0.00 0.00 60.37 60.36 2e5s h HIS 80 Cb 0.90 0.70 -0.04 0.00 -0.00 0.00 0.00 27.41 28.98 2e5s h HIS 80 CO 0.03 -0.44 -0.15 -0.07 -0.00 0.00 0.00 177.93 177.30 2e5s h LEU 81 N -0.26 -0.44 -0.98 6.12 3.38 -1.92 -1.99 115.31 119.21 2e5s h LEU 81 Ca 0.15 0.07 0.34 0.00 0.09 0.00 0.00 57.88 58.53 2e5s h LEU 81 Cb 0.56 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.34 2e5s h LEU 81 CO -0.68 -0.20 0.40 1.56 0.09 0.00 0.00 178.44 179.61 2e5s h GLN 82 N -0.22 0.11 -0.11 1.13 4.20 0.35 0.44 115.11 121.01 2e5s h GLN 82 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2e5s h GLN 82 Cb 0.31 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2e5s h GLN 82 CO -0.18 0.07 0.07 0.00 -0.67 0.00 0.00 178.83 178.12 2e5s h ALA 83 N 1.93 0.14 -1.36 3.87 0.00 -0.63 -2.08 119.26 121.13 2e5s h ALA 83 Ca 0.73 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 56.02 2e5s h ALA 83 Cb 1.73 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2e5s h ALA 83 CO -0.74 -0.36 0.97 0.87 0.00 0.00 0.00 179.25 179.98 2e5s h LYS 84 N 0.13 0.03 0.01 0.00 6.56 -0.02 0.13 116.57 123.41 2e5s h LYS 84 Ca 0.04 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2e5s h LYS 84 Cb 0.00 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2e5s h LYS 84 CO -0.01 0.02 -0.00 0.82 -2.06 0.00 0.00 179.45 178.22 2e5s h ILE 85 N 0.03 1.58 -1.00 1.86 5.03 -1.26 -3.31 117.51 120.44 2e5s h ILE 85 Ca 0.66 -1.96 0.13 0.00 -0.12 0.00 0.00 64.86 63.57 2e5s h ILE 85 Cb 2.57 2.88 -0.09 0.00 -3.03 0.00 0.00 36.82 39.16 2e5s h ILE 85 CO -0.04 0.49 0.63 0.11 -0.68 0.00 0.00 178.15 178.66 2e5s h LYS 86 N -0.88 0.94 -0.96 2.37 6.56 -0.54 -0.51 116.57 123.56 2e5s h LYS 86 Ca -0.00 -0.06 0.18 0.00 -1.06 0.00 0.00 60.65 59.71 2e5s h LYS 86 Cb 0.82 -0.21 -0.09 0.00 -0.57 0.00 0.00 32.23 32.18 2e5s h LYS 86 CO 0.00 0.62 0.61 0.00 -2.06 0.00 0.00 179.45 178.62 2e5s h ALA 87 N 1.55 1.85 0.16 3.86 0.00 -1.22 -1.90 119.26 123.56 2e5s h ALA 87 Ca 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2e5s h ALA 87 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2e5s h ALA 87 CO -0.27 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 178.74 2e5s h ALA 88 N 1.61 -0.21 -1.00 0.00 0.00 -1.18 -3.07 119.26 115.40 2e5s h ALA 88 Ca 0.52 -0.17 0.37 0.00 0.00 0.00 0.00 54.91 55.63 2e5s h ALA 88 Cb 0.91 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 18.60 2e5s h ALA 88 CO -0.28 -0.47 0.36 1.96 0.00 0.00 0.00 179.25 180.83 2e5s h GLN 89 N -0.52 0.00 0.75 0.00 7.50 -1.23 0.18 115.11 121.80 2e5s h GLN 89 Ca -0.02 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.09 2e5s h GLN 89 Cb 0.40 -0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.94 2e5s h GLN 89 CO 0.04 0.00 -0.36 1.25 -1.50 0.00 0.00 178.83 178.25 2e5s h HIS 90 N 0.00 -0.94 -2.28 2.96 2.76 -1.44 -3.46 115.15 112.75 2e5s h HIS 90 Ca 0.76 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.84 2e5s h HIS 90 Cb 1.90 0.31 -0.22 0.00 1.55 0.00 0.00 27.41 30.95 2e5s h HIS 90 CO -0.19 -0.57 0.01 1.14 -1.30 0.00 0.00 177.93 177.02 2e5s s GLN 91 N -5.76 0.75 -0.07 5.26 -2.07 0.63 -5.16 119.66 113.25 2e5s s GLN 91 Ca -0.18 0.71 0.06 0.00 -1.82 0.00 0.00 55.36 54.12 2e5s s GLN 91 Cb 0.03 0.36 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 2e5s s GLN 91 CO 0.58 -0.12 -0.24 0.00 -1.32 0.00 0.00 175.29 174.19 2e5s s ALA 92 N 0.02 2.18 0.03 2.60 0.00 -1.25 -4.41 121.76 120.94 2e5s s ALA 92 Ca -0.02 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2e5s s ALA 92 Cb -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2e5s s ALA 92 CO 0.02 0.39 -0.25 -0.80 0.00 0.00 0.00 175.76 175.12 2e5s s ASN 93 N -0.06 3.22 -0.10 0.00 0.01 -1.26 -5.11 114.94 111.64 2e5s s ASN 93 Ca -0.07 -0.54 -0.24 0.00 -0.71 0.00 0.00 52.86 51.30 2e5s s ASN 93 Cb -0.15 -0.34 -0.03 0.00 0.41 0.00 0.00 41.25 41.14 2e5s s ASN 93 CO 0.05 0.28 0.75 -1.58 -1.51 0.00 0.00 177.10 175.08 2e5s s GLN 94 N -1.09 4.40 -0.06 -0.60 2.00 -1.26 -5.05 119.66 117.99 2e5s s GLN 94 Ca 0.12 0.93 -0.05 0.00 -2.00 0.00 0.00 55.36 54.35 2e5s s GLN 94 Cb -0.10 -3.49 0.02 0.00 0.80 0.00 0.00 33.01 30.24 2e5s s GLN 94 CO 0.02 -0.06 0.16 0.00 -0.50 0.00 0.00 175.29 174.91 2e5s s ALA 95 N 1.22 -0.39 -0.08 1.58 0.00 -1.26 -5.04 121.76 117.79 2e5s s ALA 95 Ca 0.38 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.67 2e5s s ALA 95 Cb -0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 23.12 22.54 2e5s s ALA 95 CO 0.17 -0.09 0.58 0.00 0.00 0.00 0.00 175.76 176.42 2e5s h ALA 96 N 6.05 -0.18 0.00 0.00 0.00 -2.10 -3.37 119.26 119.65 2e5s h ALA 96 Ca -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2e5s h ALA 96 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2e5s h ALA 96 CO 0.41 -0.21 -1.79 1.33 0.00 0.00 0.00 179.25 179.00 2e5s n VAL 97 N -4.87 0.00 0.97 0.00 0.24 -1.26 -5.32 118.33 108.09 2e5s n VAL 97 Ca -0.06 -0.40 0.12 0.00 -2.04 0.00 0.00 64.34 61.96 2e5s n VAL 97 Cb 0.22 0.19 0.10 0.00 -1.47 0.00 0.00 33.84 32.87 2e5s n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69