#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s n LYS 2 N 0.00 0.00 0.00 2.12 4.81 -1.26 -5.05 118.16 118.78 1k0s n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1k0s n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1k0s n LYS 2 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1k0s n THR 3 N -2.78 0.00 -0.11 3.15 5.66 -1.26 -4.98 114.28 113.97 1k0s n THR 3 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1k0s n THR 3 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1k0s n THR 3 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 1k0s h LEU 4 N 0.00 0.87 -1.56 1.09 3.38 -2.10 -3.47 115.31 113.53 1k0s h LEU 4 Ca 0.00 -0.46 -0.30 0.00 0.09 0.00 0.00 57.88 57.22 1k0s h LEU 4 Cb 0.00 -0.24 0.14 0.00 0.09 0.00 0.00 40.66 40.65 1k0s h LEU 4 CO 0.00 1.15 -0.66 0.00 0.09 0.00 0.00 178.44 179.02 1k0s n ALA 5 N -2.51 -1.66 -3.50 1.53 0.00 -1.26 -5.02 120.51 108.08 1k0s n ALA 5 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1k0s n ALA 5 Cb 0.49 -2.64 -0.07 0.00 0.00 0.00 0.00 19.45 17.24 1k0s n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k0s s ASP 6 N -4.04 -0.62 -0.29 0.00 1.01 -1.26 -5.15 116.67 106.32 1k0s s ASP 6 Ca 0.09 0.81 -0.19 0.00 0.71 0.00 0.00 52.55 53.97 1k0s s ASP 6 Cb -0.04 0.73 0.15 0.00 1.01 0.00 0.00 42.92 44.78 1k0s s ASP 6 CO 0.64 -0.49 1.06 0.00 0.21 0.00 0.00 175.17 176.59 1k0s s ALA 7 N -0.79 -2.23 -1.08 5.23 0.00 -1.26 -5.05 121.76 116.58 1k0s s ALA 7 Ca -0.08 2.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.85 1k0s s ALA 7 Cb -0.02 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.35 1k0s s ALA 7 CO 0.07 -0.29 2.43 1.28 0.00 0.00 0.00 175.76 179.25 1k0s n LEU 8 N 3.04 6.10 0.05 0.00 4.77 -1.26 -3.69 117.00 126.01 1k0s n LEU 8 Ca -0.16 -3.34 0.00 0.00 -0.03 0.00 0.00 56.01 52.48 1k0s n LEU 8 Cb 0.57 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1k0s n LEU 8 CO 0.03 1.13 -0.03 1.17 -1.33 0.00 0.00 177.39 178.36 1k0s n LYS 9 N 3.88 0.00 -3.60 3.23 4.81 -1.26 -4.86 118.16 120.36 1k0s n LYS 9 Ca 0.55 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.89 1k0s n LYS 9 Cb 0.20 -0.04 -0.02 0.00 0.02 0.00 0.00 35.03 35.19 1k0s n LYS 9 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1k0s s GLU 10 N -2.00 1.47 -0.25 1.64 2.12 -1.24 -4.41 118.70 116.03 1k0s s GLU 10 Ca 0.00 -0.68 -0.22 0.00 0.36 0.00 0.00 54.97 54.43 1k0s s GLU 10 Cb 0.00 0.59 0.07 0.00 0.26 0.00 0.00 34.13 35.05 1k0s s GLU 10 CO 0.00 -0.66 0.67 0.12 -0.54 0.00 0.00 175.26 174.85 1k0s s PHE 11 N -3.80 -0.76 0.08 5.30 5.36 0.32 -4.70 117.98 119.78 1k0s s PHE 11 Ca 0.05 1.81 -0.20 0.00 -0.96 0.00 0.00 56.93 57.63 1k0s s PHE 11 Cb -0.03 0.29 -0.07 0.00 -0.34 0.00 0.00 43.02 42.87 1k0s s PHE 11 CO -0.05 -0.37 0.60 -1.21 -1.46 0.00 0.00 175.22 172.73 1k0s s GLU 12 N 0.49 4.26 0.24 10.12 2.02 -1.25 0.38 118.70 134.95 1k0s s GLU 12 Ca -0.01 0.79 -0.17 0.00 0.02 0.00 0.00 54.97 55.60 1k0s s GLU 12 Cb -0.05 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1k0s s GLU 12 CO -0.01 0.60 0.56 0.54 0.02 0.00 0.00 175.26 176.97 1k0s s VAL 13 N -1.02 0.01 -0.13 2.63 0.11 -0.02 -4.41 120.40 117.57 1k0s s VAL 13 Ca 0.30 -1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.09 1k0s s VAL 13 Cb -0.20 -1.90 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 1k0s s VAL 13 CO 0.20 -0.05 0.60 -0.22 -3.33 0.00 0.00 175.10 172.30 1k0s s LEU 14 N -2.94 4.25 0.05 2.54 1.98 -0.88 0.15 118.68 123.83 1k0s s LEU 14 Ca 0.14 0.95 -0.05 0.00 -2.89 0.00 0.00 54.13 52.27 1k0s s LEU 14 Cb -0.02 -2.89 -0.01 0.00 0.66 0.00 0.00 46.19 43.93 1k0s s LEU 14 CO 0.04 -0.13 0.10 -0.55 -1.89 0.00 0.00 176.35 173.92 1k0s s SER 15 N 0.87 0.20 0.09 3.68 0.15 0.21 0.21 113.70 119.11 1k0s s SER 15 Ca 0.31 -0.60 -0.08 0.00 0.70 0.00 0.00 55.95 56.28 1k0s s SER 15 Cb -0.16 0.24 -0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1k0s s SER 15 CO 0.13 -0.55 0.18 0.72 1.20 0.00 0.00 173.24 174.92 1k0s s PHE 16 N -2.93 0.18 -0.51 3.44 -0.12 0.13 0.83 117.98 119.00 1k0s s PHE 16 Ca -0.02 -0.61 -0.23 0.00 -0.05 0.00 0.00 56.93 56.02 1k0s s PHE 16 Cb 0.01 -0.08 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1k0s s PHE 16 CO -0.06 -0.53 0.82 -1.21 -0.05 0.00 0.00 175.22 174.18 1k0s s GLU 17 N -3.87 3.31 -0.92 1.99 2.02 0.18 -0.76 118.70 120.67 1k0s s GLU 17 Ca 0.05 -0.34 -0.19 0.00 0.02 0.00 0.00 54.97 54.51 1k0s s GLU 17 Cb 0.05 -4.02 0.12 0.00 0.10 0.00 0.00 34.13 30.38 1k0s s GLU 17 CO -0.11 -1.30 1.13 0.42 0.02 0.00 0.00 175.26 175.42 1k0s s ILE 18 N 3.44 4.66 -0.99 -1.63 -1.09 0.36 -4.04 121.20 121.91 1k0s s ILE 18 Ca 0.27 -1.46 -0.29 0.00 -2.23 0.00 0.00 60.65 56.94 1k0s s ILE 18 Cb -0.14 -4.79 0.04 0.00 -1.58 0.00 0.00 42.46 36.00 1k0s s ILE 18 CO 0.19 -1.52 0.56 -0.90 -1.23 0.00 0.00 174.94 172.03 1k0s n ASP 19 N 6.74 -3.39 0.00 3.58 5.75 -1.26 -1.24 116.55 126.72 1k0s n ASP 19 Ca 0.23 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 1k0s n ASP 19 Cb 0.49 -1.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k0s n GLU 20 N -4.30 0.00 -3.31 0.11 1.02 -1.26 -4.73 120.64 108.17 1k0s n GLU 20 Ca -0.10 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.72 1k0s n GLU 20 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.83 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1k0s s GLN 21 N 0.00 3.87 0.65 3.49 -2.07 -0.38 -4.88 119.66 120.34 1k0s s GLN 21 Ca 0.00 0.41 -0.03 0.00 -1.82 0.00 0.00 55.36 53.92 1k0s s GLN 21 Cb 0.00 -2.57 0.05 0.00 -1.09 0.00 0.00 33.01 29.41 1k0s s GLN 21 CO 0.00 0.25 0.92 0.00 -1.32 0.00 0.00 175.29 175.15 1k0s s ALA 22 N -1.89 3.46 -0.26 2.60 0.00 0.21 0.13 121.76 126.02 1k0s s ALA 22 Ca 0.50 -1.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 1k0s s ALA 22 Cb -0.11 -2.37 0.07 0.00 0.00 0.00 0.00 23.12 20.71 1k0s s ALA 22 CO 0.20 -1.10 0.68 -1.17 0.00 0.00 0.00 175.76 174.37 1k0s s LEU 23 N -5.06 -0.69 0.03 0.00 2.96 0.06 0.49 118.68 116.46 1k0s s LEU 23 Ca 0.59 1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 55.88 1k0s s LEU 23 Cb -0.10 2.33 -0.02 0.00 0.50 0.00 0.00 46.19 48.90 1k0s s LEU 23 CO 0.42 -0.24 0.02 0.00 -1.32 0.00 0.00 176.35 175.23 1k0s s ALA 24 N 0.76 0.09 -0.02 5.97 0.00 0.24 0.18 121.76 128.98 1k0s s ALA 24 Ca -0.03 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.34 1k0s s ALA 24 Cb -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1k0s s ALA 24 CO -0.05 -0.24 -0.13 -0.06 0.00 0.00 0.00 175.76 175.28 1k0s s PHE 25 N -2.12 1.17 -0.21 0.00 0.40 0.13 -0.53 117.98 116.83 1k0s s PHE 25 Ca -0.10 -0.24 -0.40 0.00 -0.60 0.00 0.00 56.93 55.59 1k0s s PHE 25 Cb -0.05 -0.77 -0.16 0.00 0.51 0.00 0.00 43.02 42.55 1k0s s PHE 25 CO -0.03 -0.04 1.64 -3.47 0.70 0.00 0.00 175.22 174.02 1k0s n ASP 26 N 2.88 2.13 0.09 1.36 2.03 -0.96 -2.07 116.55 122.01 1k0s n ASP 26 Ca -0.15 1.09 0.07 0.00 0.52 0.00 0.00 54.79 56.32 1k0s n ASP 26 Cb 0.55 -1.13 0.36 0.00 -0.72 0.00 0.00 41.12 40.18 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1k0s n VAL 27 N 4.08 1.34 -0.20 5.18 0.24 -1.26 -1.87 118.33 125.84 1k0s n VAL 27 Ca 0.25 0.56 -0.08 0.00 -2.04 0.00 0.00 64.34 63.03 1k0s n VAL 27 Cb 0.13 -1.54 0.02 0.00 -1.47 0.00 0.00 33.84 30.99 1k0s n VAL 27 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1k0s h ASP 28 N 0.00 0.83 0.04 -1.34 5.19 -1.91 -3.30 116.42 115.93 1k0s h ASP 28 Ca 0.00 -0.20 -0.27 0.00 -0.62 0.00 0.00 57.03 55.94 1k0s h ASP 28 Cb 0.06 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.33 1k0s h ASP 28 CO 0.00 0.81 -1.48 -3.20 -3.12 0.00 0.00 179.24 172.24 1k0s n ASN 29 N -4.44 1.94 -4.70 6.45 5.15 -0.78 -4.90 115.26 113.98 1k0s n ASN 29 Ca 0.03 0.36 -0.43 0.00 -0.60 0.00 0.00 54.58 53.94 1k0s n ASN 29 Cb 0.20 -0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 38.47 1k0s n ASN 29 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1k0s n ILE 30 N -4.17 0.09 -0.03 -1.44 2.08 -0.80 -3.02 119.36 112.07 1k0s n ILE 30 Ca -0.32 -0.02 -0.01 0.00 0.56 0.00 0.00 62.75 62.97 1k0s n ILE 30 Cb 0.79 -1.93 -0.00 0.00 -0.75 0.00 0.00 39.64 37.75 1k0s n ILE 30 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1k0s h GLU 31 N 7.03 0.00 -2.26 0.38 5.08 -1.60 -3.44 114.58 119.77 1k0s h GLU 31 Ca -0.44 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1k0s h GLU 31 Cb 1.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 1k0s h GLU 31 CO 0.94 0.00 0.59 1.41 -1.00 0.00 0.00 179.01 180.96 1k0s s MET 32 N -1.34 1.08 0.28 2.33 1.75 -1.22 -5.04 119.30 117.15 1k0s s MET 32 Ca -0.02 -0.64 -0.11 0.00 -1.25 0.00 0.00 55.69 53.67 1k0s s MET 32 Cb 0.00 0.34 -0.07 0.00 2.84 0.00 0.00 34.83 37.94 1k0s s MET 32 CO 0.03 -0.50 0.63 0.14 -0.65 0.00 0.00 175.02 174.66 1k0s s VAL 33 N -2.68 4.85 -0.07 10.11 -7.23 -1.26 -1.34 120.40 122.79 1k0s s VAL 33 Ca 0.17 0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 60.89 1k0s s VAL 33 Cb -0.01 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.33 1k0s s VAL 33 CO 0.02 -0.18 0.13 0.27 -0.31 0.00 0.00 175.10 175.03 1k0s s ILE 34 N -1.95 -0.19 -0.28 -0.62 -4.36 0.25 -4.90 121.20 109.15 1k0s s ILE 34 Ca 0.49 0.35 -0.21 0.00 -0.26 0.00 0.00 60.65 61.02 1k0s s ILE 34 Cb -0.11 -0.24 -0.01 0.00 1.25 0.00 0.00 42.46 43.35 1k0s s ILE 34 CO 0.22 0.15 0.67 -1.61 0.24 0.00 0.00 174.94 174.61 1k0s s GLU 35 N 2.07 4.03 0.00 0.37 2.02 -1.26 -0.42 118.70 125.52 1k0s s GLU 35 Ca 0.02 0.51 -0.29 0.00 0.02 0.00 0.00 54.97 55.22 1k0s s GLU 35 Cb -0.12 -3.69 0.10 0.00 0.10 0.00 0.00 34.13 30.52 1k0s s GLU 35 CO -0.05 -0.51 0.99 0.21 0.02 0.00 0.00 175.26 175.92 1k0s s LYS 36 N 2.63 0.79 0.00 1.61 2.47 -1.26 -4.95 119.74 121.03 1k0s s LYS 36 Ca 0.27 -0.35 0.00 0.00 -1.56 0.00 0.00 55.97 54.33 1k0s s LYS 36 Cb -0.15 0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.55 1k0s s LYS 36 CO 0.10 -0.35 0.00 0.45 0.16 0.00 0.00 175.35 175.71 1k0s n SER 37 N -0.30 0.00 -3.99 1.43 2.88 -1.26 -4.57 113.62 107.81 1k0s n SER 37 Ca -0.07 -0.66 -0.32 0.00 -1.33 0.00 0.00 58.87 56.50 1k0s n SER 37 Cb 0.61 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.02 1k0s n SER 37 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k0s n ASP 38 N -1.18 -1.84 -4.86 -3.46 5.68 -1.26 -4.89 116.55 104.74 1k0s n ASP 38 Ca 0.00 -0.79 -0.31 0.00 -0.50 0.00 0.00 54.79 53.19 1k0s n ASP 38 Cb 0.00 -1.62 -0.00 0.00 -1.14 0.00 0.00 41.12 38.36 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1k0s s ILE 39 N -2.95 4.66 0.00 2.12 1.01 -1.26 -4.84 121.20 119.94 1k0s s ILE 39 Ca 0.62 0.96 0.00 0.00 0.00 0.00 0.00 60.65 62.22 1k0s s ILE 39 Cb -0.36 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1k0s s ILE 39 CO 0.76 -0.99 0.00 0.41 0.00 0.00 0.00 174.94 175.11 1k0s n THR 40 N -2.36 0.00 -0.68 2.92 -1.04 -1.25 -4.70 114.28 107.16 1k0s n THR 40 Ca 0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.02 1k0s n THR 40 Cb 0.54 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.97 1k0s n THR 40 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1k0s n PRO 41 N 0.00 1.37 -3.76 -2.82 -0.02 -1.26 -3.28 135.00 125.22 1k0s n PRO 41 Ca 0.00 -0.45 -0.24 0.00 -2.02 0.00 0.00 63.50 60.79 1k0s n PRO 41 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1k0s n PRO 41 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1k0s n VAL 42 N 2.04 -4.32 0.00 -1.45 0.31 -0.82 -4.98 118.33 109.11 1k0s n VAL 42 Ca 0.20 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1k0s n VAL 42 Cb 0.65 -3.57 0.00 0.00 -0.91 0.00 0.00 33.84 30.01 1k0s n VAL 42 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1k0s n PRO 43 N -4.27 0.00 -0.33 5.55 -0.04 -1.26 -3.51 135.00 131.14 1k0s n PRO 43 Ca -0.28 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1k0s n PRO 43 Cb 0.67 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.42 1k0s n PRO 43 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1k0s h LYS 44 N 0.00 0.66 -0.15 0.54 3.64 -2.01 -2.49 116.57 116.76 1k0s h LYS 44 Ca 0.00 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1k0s h LYS 44 Cb 0.00 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.62 1k0s h LYS 44 CO 0.00 0.44 -0.44 1.03 -2.27 0.00 0.00 179.45 178.21 1k0s h SER 45 N 0.68 -1.41 -3.29 4.20 0.87 -1.96 -3.44 113.55 109.20 1k0s h SER 45 Ca 0.54 0.17 -0.21 0.00 -1.23 0.00 0.00 61.79 61.06 1k0s h SER 45 Cb 0.83 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 63.31 1k0s h SER 45 CO -0.39 -0.38 -0.24 -1.14 -0.53 0.00 0.00 176.83 174.15 1k0s n ARG 46 N -4.86 -2.03 0.00 2.24 0.63 -0.94 -4.89 116.66 106.81 1k0s n ARG 46 Ca -0.04 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1k0s n ARG 46 Cb 0.30 -5.00 0.00 0.00 0.45 0.00 0.00 32.46 28.21 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1k0s n HIS 47 N -2.79 0.00 -0.26 -0.14 8.25 -1.26 -5.03 115.22 113.99 1k0s n HIS 47 Ca -0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.30 1k0s n HIS 47 Cb 0.52 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.74 1k0s n HIS 47 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1k0s h PHE 48 N 0.00 1.13 -2.41 4.41 3.57 -1.93 -3.43 116.94 118.28 1k0s h PHE 48 Ca 0.00 -0.07 -0.56 0.00 3.53 0.00 0.00 57.97 60.87 1k0s h PHE 48 Cb 0.00 -0.34 0.06 0.00 2.79 0.00 0.00 35.95 38.45 1k0s h PHE 48 CO 0.00 0.84 0.88 0.28 -2.23 0.00 0.00 178.31 178.09 1k0s n VAL 49 N -4.30 0.02 0.12 1.41 0.31 -1.26 -4.83 118.33 109.80 1k0s n VAL 49 Ca 0.07 -0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1k0s n VAL 49 Cb 0.17 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.24 1k0s n VAL 49 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1k0s h GLU 50 N 6.32 0.41 0.00 5.55 4.11 -1.77 -3.43 114.58 125.78 1k0s h GLU 50 Ca -0.44 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.29 1k0s h GLU 50 Cb 1.23 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1k0s h GLU 50 CO 0.91 1.33 0.19 0.41 0.07 0.00 0.00 179.01 181.92 1k0s n GLY 51 N 1.59 1.33 3.78 1.06 0.00 -0.92 -1.94 105.19 110.09 1k0s n GLY 51 Ca -0.12 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 1k0s n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0s s VAL 52 N -2.44 0.00 -0.15 1.61 -7.23 -1.26 -0.33 120.40 110.60 1k0s s VAL 52 Ca 0.10 -1.08 -0.24 0.00 -1.81 0.00 0.00 61.98 58.95 1k0s s VAL 52 Cb -0.03 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.46 1k0s s VAL 52 CO 0.07 0.00 0.61 0.27 -0.31 0.00 0.00 175.10 175.74 1k0s s ILE 53 N -3.04 0.01 -0.02 -0.62 -4.36 -0.72 -3.93 121.20 108.52 1k0s s ILE 53 Ca 0.16 -0.05 -0.21 0.00 -0.26 0.00 0.00 60.65 60.29 1k0s s ILE 53 Cb -0.05 -0.89 -0.05 0.00 1.25 0.00 0.00 42.46 42.73 1k0s s ILE 53 CO 0.10 -0.03 0.60 0.21 0.24 0.00 0.00 174.94 176.07 1k0s s ASN 54 N -0.33 6.95 -0.27 4.36 3.84 -1.26 0.22 114.94 128.45 1k0s s ASN 54 Ca -0.05 1.14 -0.23 0.00 0.21 0.00 0.00 52.86 53.92 1k0s s ASN 54 Cb -0.03 -2.37 0.08 0.00 -0.55 0.00 0.00 41.25 38.38 1k0s s ASN 54 CO 0.04 0.06 0.75 -0.76 -2.79 0.00 0.00 177.10 174.41 1k0s s LEU 55 N 0.01 -0.74 -1.43 3.21 1.43 0.18 -4.95 118.68 116.39 1k0s s LEU 55 Ca 0.32 1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1k0s s LEU 55 Cb -0.18 2.38 0.02 0.00 0.03 0.00 0.00 46.19 48.44 1k0s s LEU 55 CO 0.17 -0.24 0.50 -1.14 0.23 0.00 0.00 176.35 175.88 1k0s n ARG 56 N 2.90 -3.55 -3.89 1.70 3.00 -1.26 -0.81 116.66 114.75 1k0s n ARG 56 Ca -0.15 0.43 -0.30 0.00 -0.00 0.00 0.00 57.85 57.84 1k0s n ARG 56 Cb 0.56 -4.69 0.03 0.00 0.00 0.00 0.00 32.46 28.36 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0s n GLY 57 N -1.88 -0.50 3.64 5.14 0.00 -1.26 -4.95 105.19 105.39 1k0s n GLY 57 Ca -0.26 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1k0s n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k0s s ARG 58 N -6.58 0.47 -0.17 1.61 3.00 0.01 -5.15 118.95 112.13 1k0s s ARG 58 Ca 0.64 0.80 -0.21 0.00 -1.00 0.00 0.00 55.73 55.96 1k0s s ARG 58 Cb -0.32 0.10 -0.03 0.00 0.00 0.00 0.00 34.95 34.70 1k0s s ARG 58 CO 0.82 -0.10 0.64 0.42 0.00 0.00 0.00 175.30 177.08 1k0s s ILE 59 N 1.39 5.03 -0.12 4.11 1.09 -1.26 -0.65 121.20 130.79 1k0s s ILE 59 Ca -0.09 1.22 -0.17 0.00 -1.10 0.00 0.00 60.65 60.51 1k0s s ILE 59 Cb -0.04 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 1k0s s ILE 59 CO -0.16 0.14 0.44 0.27 -0.10 0.00 0.00 174.94 175.53 1k0s s ILE 60 N 1.68 5.21 -0.24 2.92 -4.36 0.13 -4.84 121.20 121.70 1k0s s ILE 60 Ca 0.30 0.87 -0.27 0.00 -0.26 0.00 0.00 60.65 61.29 1k0s s ILE 60 Cb -0.16 -3.78 0.01 0.00 1.25 0.00 0.00 42.46 39.78 1k0s s ILE 60 CO 0.11 0.34 0.96 -2.16 0.24 0.00 0.00 174.94 174.44 1k0s s PRO 61 N 0.56 4.21 -0.12 0.37 0.04 -1.24 -1.76 135.00 137.07 1k0s s PRO 61 Ca 0.24 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1k0s s PRO 61 Cb -0.15 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.70 1k0s s PRO 61 CO 0.09 -0.61 0.20 0.14 0.04 0.00 0.00 177.00 176.86 1k0s s VAL 62 N 3.10 5.39 0.04 -0.36 -7.23 0.55 -1.37 120.40 120.52 1k0s s VAL 62 Ca 0.41 0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 60.88 1k0s s VAL 62 Cb -0.15 -3.49 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 1k0s s VAL 62 CO 0.07 0.56 0.07 -0.69 -0.31 0.00 0.00 175.10 174.80 1k0s s VAL 63 N -0.64 0.15 -1.05 1.32 1.01 -0.46 -2.15 120.40 118.57 1k0s s VAL 63 Ca 0.15 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1k0s s VAL 63 Cb -0.13 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.15 1k0s s VAL 63 CO 0.05 -0.68 2.16 0.59 0.00 0.00 0.00 175.10 177.21 1k0s n ASN 64 N 0.61 4.17 -0.16 3.32 3.02 -1.26 -2.10 115.26 122.86 1k0s n ASN 64 Ca -0.18 -2.60 0.29 0.00 -0.03 0.00 0.00 54.58 52.06 1k0s n ASN 64 Cb 0.59 -1.27 0.71 0.00 -0.61 0.00 0.00 39.78 39.20 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1k0s h LEU 65 N 10.72 0.00 -1.83 3.41 6.46 -1.82 0.61 115.31 132.85 1k0s h LEU 65 Ca 0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 58.27 1k0s h LEU 65 Cb 0.48 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1k0s h LEU 65 CO 1.78 0.00 -0.09 0.00 -0.62 0.00 0.00 178.44 179.51 1k0s h ALA 66 N 1.38 1.83 0.11 1.25 0.00 -1.83 0.34 119.26 122.35 1k0s h ALA 66 Ca 0.42 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 1k0s h ALA 66 Cb 1.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1k0s h ALA 66 CO -0.00 0.12 -1.75 1.57 0.00 0.00 0.00 179.25 179.18 1k0s h LYS 67 N 0.00 0.24 -0.84 0.00 5.09 -0.15 1.51 116.57 122.42 1k0s h LYS 67 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 60.65 60.32 1k0s h LYS 67 Cb 0.17 0.15 -0.04 0.00 0.10 0.00 0.00 32.23 32.61 1k0s h LYS 67 CO 0.01 1.09 0.49 0.97 -2.09 0.00 0.00 179.45 179.92 1k0s h ILE 68 N 0.07 1.24 0.01 0.07 2.10 -1.09 -0.82 117.51 119.09 1k0s h ILE 68 Ca -0.33 -0.55 -0.26 0.00 1.08 0.00 0.00 64.86 64.81 1k0s h ILE 68 Cb 2.04 0.08 0.02 0.00 -1.09 0.00 0.00 36.82 37.87 1k0s h ILE 68 CO 0.13 0.26 -1.03 0.25 -1.08 0.00 0.00 178.15 176.68 1k0s h LEU 69 N 1.16 0.80 -1.20 2.19 7.12 -0.41 -3.50 115.31 121.46 1k0s h LEU 69 Ca 0.30 -0.64 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1k0s h LEU 69 Cb -0.02 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 39.87 1k0s h LEU 69 CO -0.05 1.45 -0.50 0.61 -0.13 0.00 0.00 178.44 179.82 1k0s n GLY 70 N 1.06 -4.54 0.00 3.75 0.00 0.51 -4.99 105.19 100.99 1k0s n GLY 70 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.91 0.00 -0.20 -0.61 -5.35 -1.13 -4.94 119.36 108.05 1k0s n ILE 71 Ca 0.00 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.66 1k0s n ILE 71 Cb 0.00 0.00 0.52 0.00 -1.74 0.00 0.00 39.64 38.42 1k0s n ILE 71 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1k0s h SER 72 N 0.00 0.38 -0.43 7.28 0.87 -1.90 -3.43 113.55 116.32 1k0s h SER 72 Ca 0.00 0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.29 1k0s h SER 72 Cb 0.00 -0.04 0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1k0s h SER 72 CO 0.00 0.18 -0.18 0.33 -0.53 0.00 0.00 176.83 176.62 1k0s n PHE 73 N -4.49 -0.13 -2.37 2.24 7.35 -1.26 -4.92 117.46 113.89 1k0s n PHE 73 Ca 0.17 0.42 -0.04 0.00 -0.76 0.00 0.00 57.45 57.24 1k0s n PHE 73 Cb 0.62 -0.85 0.04 0.00 0.35 0.00 0.00 39.48 39.64 1k0s n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0s n ASP 74 N 0.82 -1.23 -4.36 -2.13 -0.08 -1.26 -4.96 116.55 103.35 1k0s n ASP 74 Ca 0.08 -2.08 -0.39 0.00 -1.51 0.00 0.00 54.79 50.89 1k0s n ASP 74 Cb 0.09 0.51 -0.05 0.00 2.34 0.00 0.00 41.12 44.01 1k0s n ASP 74 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1k0s n GLU 75 N -0.86 -2.15 -0.12 -0.67 0.28 -1.26 -4.84 120.64 111.02 1k0s n GLU 75 Ca -0.22 0.28 -0.26 0.00 -0.16 0.00 0.00 57.16 56.79 1k0s n GLU 75 Cb 0.79 -4.95 -0.11 0.00 1.43 0.00 0.00 31.44 28.60 1k0s n GLU 75 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1k0s n GLN 76 N -4.25 0.59 -0.09 3.44 6.02 -1.26 -4.68 117.38 117.15 1k0s n GLN 76 Ca 0.10 0.38 -0.11 0.00 -0.01 0.00 0.00 57.00 57.35 1k0s n GLN 76 Cb 0.47 -1.59 -0.15 0.00 1.02 0.00 0.00 30.24 29.99 1k0s n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k0s n LYS 77 N -4.28 0.68 -0.48 -1.09 4.01 -1.26 -5.02 118.16 110.71 1k0s n LYS 77 Ca -0.46 0.07 -0.16 0.00 -0.51 0.00 0.00 58.31 57.25 1k0s n LYS 77 Cb 0.82 -1.57 -0.01 0.00 -0.51 0.00 0.00 35.03 33.76 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N -2.89 0.00 0.00 1.97 2.81 -1.26 -4.76 117.12 112.98 1k0s n MET 78 Ca -0.32 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.57 1k0s n MET 78 Cb 1.11 -0.35 0.00 0.00 -0.71 0.00 0.00 33.22 33.27 1k0s n MET 78 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1k0s n LYS 79 N 0.37 0.00 -3.55 0.03 2.85 0.25 -4.82 118.16 113.30 1k0s n LYS 79 Ca 0.06 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.23 1k0s n LYS 79 Cb 0.10 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.44 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1k0s s SER 80 N 0.00 -0.34 0.01 -5.58 1.04 0.24 -4.82 113.70 104.26 1k0s s SER 80 Ca 0.00 0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.67 1k0s s SER 80 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1k0s s SER 80 CO 0.00 -0.44 -0.17 -0.63 0.98 0.00 0.00 173.24 172.98 1k0s s ILE 81 N -2.09 1.38 0.03 -1.02 1.01 0.44 0.43 121.20 121.39 1k0s s ILE 81 Ca 0.02 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.87 1k0s s ILE 81 Cb -0.01 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1k0s s ILE 81 CO -0.04 0.27 -0.25 -0.63 0.00 0.00 0.00 174.94 174.29 1k0s s ILE 82 N -0.58 2.22 0.15 2.92 1.01 0.20 0.84 121.20 127.97 1k0s s ILE 82 Ca 0.06 -1.31 0.08 0.00 0.00 0.00 0.00 60.65 59.48 1k0s s ILE 82 Cb -0.07 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1k0s s ILE 82 CO 0.00 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.56 1k0s s VAL 83 N -0.79 3.28 0.31 2.92 1.01 -0.45 -0.39 120.40 126.29 1k0s s VAL 83 Ca 0.12 -1.48 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 1k0s s VAL 83 Cb -0.10 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1k0s s VAL 83 CO 0.02 -0.01 0.64 0.00 0.00 0.00 0.00 175.10 175.74 1k0s s ALA 84 N -1.48 -0.52 0.05 5.51 0.00 0.28 -1.70 121.76 123.90 1k0s s ALA 84 Ca 0.23 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.47 1k0s s ALA 84 Cb -0.10 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1k0s s ALA 84 CO 0.15 -0.94 -0.14 -0.98 0.00 0.00 0.00 175.76 173.85 1k0s s ARG 85 N -3.37 0.89 -0.30 0.00 1.70 -1.17 0.33 118.95 117.04 1k0s s ARG 85 Ca 0.18 -0.79 -0.00 0.00 -0.47 0.00 0.00 55.73 54.65 1k0s s ARG 85 Cb -0.03 -0.90 0.19 0.00 -0.57 0.00 0.00 34.95 33.64 1k0s s ARG 85 CO 0.11 0.22 0.61 0.95 -1.08 0.00 0.00 175.30 176.11 1k0s s THR 86 N -0.95 -0.98 -1.48 4.99 -4.23 0.33 -4.83 115.64 108.51 1k0s s THR 86 Ca 0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1k0s s THR 86 Cb -0.08 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.78 1k0s s THR 86 CO 0.01 0.00 0.37 1.17 -0.54 0.00 0.00 174.62 175.64 1k0s n LYS 87 N 5.43 -2.76 -2.42 3.99 4.81 -1.26 -0.09 118.16 125.86 1k0s n LYS 87 Ca -0.00 0.33 -0.08 0.00 -0.87 0.00 0.00 58.31 57.69 1k0s n LYS 87 Cb 0.52 -4.40 0.01 0.00 0.02 0.00 0.00 35.03 31.18 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1k0s n ASP 88 N -2.92 -3.07 -3.80 3.14 9.92 -1.26 -5.03 116.55 113.52 1k0s n ASP 88 Ca -0.27 -0.08 -0.28 0.00 -0.53 0.00 0.00 54.79 53.63 1k0s n ASP 88 Cb 0.67 -2.11 -0.16 0.00 -0.64 0.00 0.00 41.12 38.88 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k0s s VAL 89 N -2.65 0.84 -0.72 2.53 1.01 0.86 -5.07 120.40 117.21 1k0s s VAL 89 Ca 0.08 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1k0s s VAL 89 Cb -0.03 -1.24 0.08 0.00 0.00 0.00 0.00 36.38 35.19 1k0s s VAL 89 CO 0.10 -0.13 1.00 -1.61 0.00 0.00 0.00 175.10 174.45 1k0s s GLU 90 N 1.72 3.21 0.33 2.72 8.01 -1.26 0.12 118.70 133.56 1k0s s GLU 90 Ca -0.02 -1.04 -0.10 0.00 0.01 0.00 0.00 54.97 53.83 1k0s s GLU 90 Cb -0.17 -4.39 -0.07 0.00 -4.31 0.00 0.00 34.13 25.19 1k0s s GLU 90 CO -0.07 -1.81 0.67 0.08 0.01 0.00 0.00 175.26 174.14 1k0s s VAL 91 N 3.78 4.86 0.10 2.63 1.01 0.15 -3.59 120.40 129.33 1k0s s VAL 91 Ca 0.24 0.49 0.05 0.00 0.00 0.00 0.00 61.98 62.77 1k0s s VAL 91 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1k0s s VAL 91 CO 0.06 -0.34 -0.13 -0.83 0.00 0.00 0.00 175.10 173.85 1k0s s GLY 92 N -2.89 0.96 -0.02 4.51 0.00 -0.47 0.10 107.32 109.51 1k0s s GLY 92 Ca 0.49 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 1k0s s GLY 92 CO 0.27 -1.21 0.04 -0.12 0.00 0.00 0.00 173.10 172.07 1k0s s PHE 93 N -1.85 0.04 -0.12 1.90 5.36 0.47 -1.35 117.98 122.43 1k0s s PHE 93 Ca 0.04 0.15 -0.21 0.00 -0.96 0.00 0.00 56.93 55.95 1k0s s PHE 93 Cb -0.07 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.29 1k0s s PHE 93 CO 0.02 -0.11 0.63 -1.17 -1.46 0.00 0.00 175.22 173.13 1k0s s LEU 94 N 1.29 4.26 0.00 6.12 2.96 -0.89 0.61 118.68 133.03 1k0s s LEU 94 Ca -0.06 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.88 1k0s s LEU 94 Cb -0.13 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.61 1k0s s LEU 94 CO -0.03 -0.13 0.12 1.33 -1.32 0.00 0.00 176.35 176.32 1k0s n VAL 95 N 4.01 0.00 -0.04 1.68 0.24 0.17 -4.62 118.33 119.76 1k0s n VAL 95 Ca -0.03 -1.26 -0.04 0.00 -2.04 0.00 0.00 64.34 60.97 1k0s n VAL 95 Cb 0.51 0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 33.44 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -2.13 0.88 -3.76 -1.34 2.03 -1.26 0.86 116.55 111.84 1k0s n ASP 96 Ca 0.02 0.24 -0.23 0.00 0.52 0.00 0.00 54.79 55.34 1k0s n ASP 96 Cb 0.32 -0.63 -0.18 0.00 -0.72 0.00 0.00 41.12 39.91 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1k0s s ARG 97 N -1.79 0.56 -0.34 -0.67 6.06 -1.26 -3.96 118.95 117.56 1k0s s ARG 97 Ca -0.11 0.09 -0.09 0.00 -2.50 0.00 0.00 55.73 53.12 1k0s s ARG 97 Cb 0.02 -1.03 0.02 0.00 0.06 0.00 0.00 34.95 34.02 1k0s s ARG 97 CO 0.17 -0.33 0.15 0.54 -2.50 0.00 0.00 175.30 173.33 1k0s s VAL 98 N 1.98 4.29 0.38 7.11 0.11 -1.26 0.51 120.40 133.52 1k0s s VAL 98 Ca 0.05 -0.79 0.18 0.00 -2.93 0.00 0.00 61.98 58.49 1k0s s VAL 98 Cb -0.13 -3.32 0.18 0.00 -1.53 0.00 0.00 36.38 31.59 1k0s s VAL 98 CO -0.05 -0.09 1.93 -0.07 -3.33 0.00 0.00 175.10 173.49 1k0s h LEU 99 N 8.33 0.00 0.00 2.54 -0.00 0.08 -3.47 115.31 122.79 1k0s h LEU 99 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1k0s h LEU 99 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 1k0s h LEU 99 CO 0.63 0.25 0.00 0.61 -0.00 0.00 0.00 178.44 179.93 1k0s n GLY 100 N -0.59 1.47 3.64 0.83 0.00 -0.41 -4.90 105.19 105.22 1k0s n GLY 100 Ca -0.02 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 44.76 1k0s n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k0s n VAL 101 N 0.00 0.88 -3.88 1.61 0.31 -1.25 -0.62 118.33 115.39 1k0s n VAL 101 Ca 0.00 -0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1k0s n VAL 101 Cb 0.00 -1.25 -0.14 0.00 -0.91 0.00 0.00 33.84 31.54 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1k0s s LEU 102 N 0.33 1.99 -1.27 7.52 2.96 0.40 -4.77 118.68 125.83 1k0s s LEU 102 Ca 0.70 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 1k0s s LEU 102 Cb -0.72 0.04 0.16 0.00 0.50 0.00 0.00 46.19 46.17 1k0s s LEU 102 CO 0.50 -0.04 1.77 -2.11 -1.32 0.00 0.00 176.35 175.15 1k0s n ARG 103 N 2.92 3.51 -3.16 1.98 1.85 -1.26 -0.84 116.66 121.65 1k0s n ARG 103 Ca -0.13 -3.58 -0.39 0.00 -1.00 0.00 0.00 57.85 52.75 1k0s n ARG 103 Cb 0.59 -2.98 -0.05 0.00 -1.05 0.00 0.00 32.46 28.97 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.90 5.03 0.29 8.89 -1.09 0.16 -4.81 121.20 130.57 1k0s s ILE 104 Ca 0.41 1.26 -0.11 0.00 -2.23 0.00 0.00 60.65 59.98 1k0s s ILE 104 Cb 0.06 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.92 1k0s s ILE 104 CO 0.00 0.33 0.64 0.42 -1.23 0.00 0.00 174.94 175.10 1k0s s THR 105 N 0.40 4.84 -0.61 2.92 -4.23 -1.26 0.12 115.64 117.83 1k0s s THR 105 Ca 0.33 0.59 0.06 0.00 -1.18 0.00 0.00 61.69 61.49 1k0s s THR 105 Cb -0.17 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.24 1k0s s THR 105 CO 0.16 -0.19 0.61 1.21 -0.54 0.00 0.00 174.62 175.87 1k0s n GLU 106 N -0.44 1.87 -0.24 3.99 2.13 -1.26 -4.71 120.64 121.98 1k0s n GLU 106 Ca 0.01 -4.29 0.07 0.00 0.66 0.00 0.00 57.16 53.61 1k0s n GLU 106 Cb 0.53 -2.07 0.17 0.00 0.27 0.00 0.00 31.44 30.34 1k0s n GLU 106 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1k0s n ASN 107 N 1.42 3.09 -2.80 4.31 5.03 -1.26 -4.55 115.26 120.50 1k0s n ASN 107 Ca 0.26 -2.59 -0.01 0.00 0.87 0.00 0.00 54.58 53.10 1k0s n ASN 107 Cb 0.41 -0.36 0.06 0.00 -1.02 0.00 0.00 39.78 38.87 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k0s n GLN 108 N -0.36 1.63 0.00 3.52 0.00 -1.26 -4.03 117.38 116.88 1k0s n GLN 108 Ca 0.15 -3.22 0.00 0.00 0.00 0.00 0.00 57.00 53.93 1k0s n GLN 108 Cb 0.63 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.53 1k0s n GLN 108 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1k0s n LEU 109 N -0.65 0.00 0.00 2.61 -0.00 -1.26 -4.50 117.00 113.20 1k0s n LEU 109 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1k0s n LEU 109 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.23 1k0s n LEU 109 CO 0.06 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.78 1k0s n ASP 110 N 0.00 0.00 0.01 1.45 -0.08 -1.26 -4.93 116.55 111.74 1k0s n ASP 110 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1k0s n ASP 110 Cb 0.00 0.18 0.05 0.00 2.34 0.00 0.00 41.12 43.69 1k0s n ASP 110 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1k0s n LEU 111 N -2.14 0.66 -3.73 -2.67 7.94 -1.26 -4.98 117.00 110.81 1k0s n LEU 111 Ca 0.00 -0.11 -0.26 0.00 -1.11 0.00 0.00 56.01 54.53 1k0s n LEU 111 Cb 0.00 -0.11 0.05 0.00 0.53 0.00 0.00 43.42 43.89 1k0s n LEU 111 CO 0.00 0.11 0.14 1.07 -1.11 0.00 0.00 177.39 177.59 1k0s n THR 112 N -1.76 -3.07 -0.06 1.96 5.66 -1.26 -4.90 114.28 110.85 1k0s n THR 112 Ca 0.03 -0.12 -0.09 0.00 -3.05 0.00 0.00 64.05 60.83 1k0s n THR 112 Cb 0.39 -3.58 -0.15 0.00 -1.55 0.00 0.00 70.33 65.44 1k0s n THR 112 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1k0s n ASN 113 N -2.96 0.41 -3.21 1.09 4.13 -1.26 -4.67 115.26 108.79 1k0s n ASN 113 Ca -0.05 0.19 -0.23 0.00 1.68 0.00 0.00 54.58 56.17 1k0s n ASN 113 Cb 0.57 0.52 -0.07 0.00 -1.54 0.00 0.00 39.78 39.26 1k0s n ASN 113 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1k0s n VAL 114 N -2.88 -0.79 -0.59 2.41 0.24 -1.26 -5.01 118.33 110.46 1k0s n VAL 114 Ca -0.25 -3.61 -0.10 0.00 -2.04 0.00 0.00 64.34 58.33 1k0s n VAL 114 Cb 1.10 -1.59 -0.07 0.00 -1.47 0.00 0.00 33.84 31.81 1k0s n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1k0s n SER 115 N 1.87 3.33 -1.56 -1.34 7.64 -1.26 -4.42 113.62 117.87 1k0s n SER 115 Ca 0.23 -2.10 -0.10 0.00 1.01 0.00 0.00 58.87 57.91 1k0s n SER 115 Cb 0.52 -0.85 0.11 0.00 -1.01 0.00 0.00 64.21 62.98 1k0s n SER 115 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k0s n ASP 116 N 3.09 3.38 -0.21 6.43 9.92 -1.26 -4.56 116.55 133.33 1k0s n ASP 116 Ca 0.28 -2.76 -0.02 0.00 -0.53 0.00 0.00 54.79 51.76 1k0s n ASP 116 Cb 0.41 -0.66 0.05 0.00 -0.64 0.00 0.00 41.12 40.28 1k0s n ASP 116 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1k0s h LYS 117 N 0.74 -0.07 0.00 -1.24 1.57 -1.79 -3.40 116.57 112.38 1k0s h LYS 117 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1k0s h LYS 117 Cb 1.84 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.17 1k0s h LYS 117 CO 0.51 -0.04 0.00 0.34 -0.57 0.00 0.00 179.45 179.69 1k0s n PHE 118 N -5.44 -1.46 0.00 -1.35 -0.00 -1.26 -3.58 117.46 104.36 1k0s n PHE 118 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 1k0s n PHE 118 Cb 0.35 0.55 0.00 0.00 -0.00 0.00 0.00 39.48 40.38 1k0s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1k0s n GLY 119 N -1.11 1.38 2.70 7.13 0.00 -1.26 -4.94 105.19 109.09 1k0s n GLY 119 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 1k0s n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k0s n LYS 120 N 0.00 0.93 0.00 1.61 5.02 -1.26 -4.99 118.16 119.47 1k0s n LYS 120 Ca 0.00 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1k0s n LYS 120 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k0s n LYS 121 N -0.24 0.00 0.00 1.97 3.00 -1.26 -5.08 118.16 116.55 1k0s n LYS 121 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1k0s n LYS 121 Cb 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.66 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 122 N -1.83 0.00 -0.78 3.14 3.41 -1.26 -1.82 113.62 114.47 1k0s n SER 122 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 1k0s n SER 122 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1k0s n SER 122 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1k0s n LYS 123 N 0.00 0.00 -3.72 4.33 4.81 -1.26 -4.65 118.16 117.67 1k0s n LYS 123 Ca 0.00 -0.61 -0.14 0.00 -0.87 0.00 0.00 58.31 56.69 1k0s n LYS 123 Cb 0.00 0.40 -0.09 0.00 0.02 0.00 0.00 35.03 35.36 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1k0s s GLY 124 N -0.61 -0.26 -0.19 3.14 0.00 0.17 -4.72 107.32 104.86 1k0s s GLY 124 Ca 0.00 0.79 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 1k0s s GLY 124 CO 0.00 0.58 0.56 -2.27 0.00 0.00 0.00 173.10 171.97 1k0s s LEU 125 N -0.65 -0.12 0.15 0.66 1.98 -1.23 -1.62 118.68 117.84 1k0s s LEU 125 Ca -0.07 1.05 -0.23 0.00 -2.89 0.00 0.00 54.13 51.98 1k0s s LEU 125 Cb -0.04 1.93 0.07 0.00 0.66 0.00 0.00 46.19 48.81 1k0s s LEU 125 CO 0.03 -0.23 0.65 0.54 -1.89 0.00 0.00 176.35 175.44 1k0s s VAL 126 N 0.12 0.00 -0.28 1.68 0.11 0.23 -4.81 120.40 117.45 1k0s s VAL 126 Ca -0.01 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.75 1k0s s VAL 126 Cb -0.04 -1.09 0.11 0.00 -1.53 0.00 0.00 36.38 33.83 1k0s s VAL 126 CO 0.02 0.00 0.86 -0.75 -3.33 0.00 0.00 175.10 171.89 1k0s s LYS 127 N -3.69 0.59 -0.06 1.54 2.20 -1.26 0.31 119.74 119.38 1k0s s LYS 127 Ca 0.02 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 1k0s s LYS 127 Cb -0.01 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.59 1k0s s LYS 127 CO -0.11 -0.10 0.77 0.99 -0.36 0.00 0.00 175.35 176.54 1k0s s THR 128 N 0.99 0.00 -1.34 3.43 2.01 0.09 -4.94 115.64 115.87 1k0s s THR 128 Ca -0.05 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 1k0s s THR 128 Cb -0.05 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1k0s s THR 128 CO -0.11 0.00 0.93 -0.67 -0.69 0.00 0.00 174.62 174.08 1k0s n ASP 129 N 0.67 -3.22 -2.96 3.53 2.03 -1.26 -1.16 116.55 114.18 1k0s n ASP 129 Ca -0.16 -0.71 -0.20 0.00 0.52 0.00 0.00 54.79 54.24 1k0s n ASP 129 Cb 0.58 -4.47 0.01 0.00 -0.72 0.00 0.00 41.12 36.52 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0s n GLY 130 N -1.58 -0.50 2.89 0.27 0.00 -1.26 -4.95 105.19 100.06 1k0s n GLY 130 Ca -0.16 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1k0s n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 131 N -5.60 0.73 -0.00 1.61 1.70 -0.31 -5.14 118.95 111.94 1k0s s ARG 131 Ca 0.24 -0.09 -0.20 0.00 -0.47 0.00 0.00 55.73 55.21 1k0s s ARG 131 Cb -0.12 -0.76 -0.05 0.00 -0.57 0.00 0.00 34.95 33.45 1k0s s ARG 131 CO 0.30 -0.07 0.59 -1.17 -1.08 0.00 0.00 175.30 173.87 1k0s s LEU 132 N 0.84 4.42 -0.05 -1.89 1.98 -1.26 -0.73 118.68 121.98 1k0s s LEU 132 Ca -0.11 1.17 0.02 0.00 -2.89 0.00 0.00 54.13 52.32 1k0s s LEU 132 Cb -0.14 -2.92 0.01 0.00 0.66 0.00 0.00 46.19 43.81 1k0s s LEU 132 CO 0.00 0.11 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.85 1k0s s ILE 133 N -0.24 0.92 0.22 6.68 1.01 0.15 0.65 121.20 130.58 1k0s s ILE 133 Ca 0.31 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 1k0s s ILE 133 Cb -0.18 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.36 1k0s s ILE 133 CO 0.17 0.30 0.61 -0.63 0.00 0.00 0.00 174.94 175.40 1k0s s ILE 134 N 0.66 4.80 0.00 2.92 -1.09 0.18 -0.60 121.20 128.08 1k0s s ILE 134 Ca -0.12 0.81 0.01 0.00 -2.23 0.00 0.00 60.65 59.12 1k0s s ILE 134 Cb -0.14 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1k0s s ILE 134 CO 0.02 0.05 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.28 1k0s s TYR 135 N -1.69 0.38 0.31 3.97 5.04 -0.64 0.80 117.35 125.52 1k0s s TYR 135 Ca 0.45 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 1k0s s TYR 135 Cb -0.13 -0.24 -0.04 0.00 0.35 0.00 0.00 41.96 41.89 1k0s s TYR 135 CO 0.20 -0.02 0.12 -0.51 -1.34 0.00 0.00 175.55 174.00 1k0s s LEU 136 N -0.29 1.79 0.00 6.97 1.02 0.31 0.45 118.68 128.93 1k0s s LEU 136 Ca -0.00 -1.50 0.13 0.00 0.02 0.00 0.00 54.13 52.78 1k0s s LEU 136 Cb -0.03 0.01 0.21 0.00 0.02 0.00 0.00 46.19 46.40 1k0s s LEU 136 CO -0.00 -0.81 1.08 0.47 0.02 0.00 0.00 176.35 177.11 1k0s n ASP 137 N -0.81 0.48 -0.92 2.29 9.92 -1.26 -2.27 116.55 123.97 1k0s n ASP 137 Ca -0.01 -1.99 -0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1k0s n ASP 137 Cb 0.66 -0.24 -0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k0s n ILE 138 N 0.24 0.00 -0.04 0.53 3.06 -1.26 -4.76 119.36 117.14 1k0s n ILE 138 Ca 0.03 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.27 1k0s n ILE 138 Cb 0.92 -0.04 -0.00 0.00 0.54 0.00 0.00 39.64 41.06 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 0.00 0.77 9.51 1.82 -1.93 -2.57 116.42 124.02 1k0s h ASP 139 Ca -0.01 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.48 1k0s h ASP 139 Cb 0.03 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 1k0s h ASP 139 CO 0.01 0.41 -0.74 0.11 -1.61 0.00 0.00 179.24 177.43 1k0s h LYS 140 N -0.73 0.00 -0.12 0.28 6.56 -1.83 -2.52 116.57 118.21 1k0s h LYS 140 Ca 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.52 1k0s h LYS 140 Cb 0.10 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 1k0s h LYS 140 CO 0.00 0.74 -0.18 0.97 -2.06 0.00 0.00 179.45 178.92 1k0s h ILE 141 N 0.00 1.37 -0.51 1.86 -0.00 -1.55 -2.37 117.51 116.32 1k0s h ILE 141 Ca -0.01 -1.41 -0.01 0.00 -0.00 0.00 0.00 64.86 63.43 1k0s h ILE 141 Cb 1.32 2.02 -0.02 0.00 -0.00 0.00 0.00 36.82 40.13 1k0s h ILE 141 CO 0.10 0.41 0.29 -0.29 -0.00 0.00 0.00 178.15 178.66 1k0s h ILE 142 N -0.08 1.16 -0.65 2.19 6.09 -1.47 -0.61 117.51 124.14 1k0s h ILE 142 Ca 0.01 -0.39 0.14 0.00 -1.37 0.00 0.00 64.86 63.24 1k0s h ILE 142 Cb 0.74 0.51 -0.10 0.00 0.47 0.00 0.00 36.82 38.44 1k0s h ILE 142 CO 0.04 0.17 0.05 -0.08 -3.07 0.00 0.00 178.15 175.26 1k0s h GLU 143 N 0.68 0.16 -0.46 2.19 4.81 -1.41 0.18 114.58 120.72 1k0s h GLU 143 Ca 0.18 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1k0s h GLU 143 Cb 0.02 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1k0s h GLU 143 CO -0.03 0.10 -0.08 0.93 -0.73 0.00 0.00 179.01 179.21 1k0s h GLU 144 N 0.16 0.80 -0.82 1.92 4.39 -0.88 0.28 114.58 120.43 1k0s h GLU 144 Ca 0.35 -0.25 0.15 0.00 0.34 0.00 0.00 59.36 59.95 1k0s h GLU 144 Cb 0.57 -0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.04 1k0s h GLU 144 CO -0.52 0.86 0.38 0.82 -1.16 0.00 0.00 179.01 179.39 1k0s h ILE 145 N 0.73 0.67 0.01 3.13 2.04 0.92 0.53 117.51 125.54 1k0s h ILE 145 Ca 0.13 -0.18 -0.19 0.00 1.00 0.00 0.00 64.86 65.62 1k0s h ILE 145 Cb 0.55 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1k0s h ILE 145 CO 0.03 0.10 -1.02 0.71 0.00 0.00 0.00 178.15 177.96 1k0s h THR 146 N 0.53 1.10 -0.10 -0.27 1.35 -1.22 -3.37 112.91 110.93 1k0s h THR 146 Ca 0.46 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1k0s h THR 146 Cb 0.69 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1k0s h THR 146 CO -0.40 0.41 0.00 0.55 -0.25 0.00 0.00 175.52 175.83 1k0s n VAL 147 N -4.42 0.22 -0.20 6.82 3.14 0.07 -4.25 118.33 119.71 1k0s n VAL 147 Ca -0.27 -0.16 -0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1k0s n VAL 147 Cb 0.66 -0.09 0.10 0.00 -1.06 0.00 0.00 33.84 33.45 1k0s n VAL 147 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1k0s h LYS 148 N 0.61 0.39 -6.59 1.45 1.63 -0.11 -3.41 116.57 110.53 1k0s h LYS 148 Ca 0.00 -0.02 -0.56 0.00 -0.85 0.00 0.00 60.65 59.22 1k0s h LYS 148 Cb 0.32 -0.09 0.06 0.00 -0.60 0.00 0.00 32.23 31.92 1k0s h LYS 148 CO 0.02 0.26 0.87 0.39 -3.45 0.00 0.00 179.45 177.54 1k0s n GLU 149 N -5.00 2.42 0.00 1.90 1.02 -1.26 -4.48 120.64 115.24 1k0s n GLU 149 Ca 0.08 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1k0s n GLU 149 Cb 0.27 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k0s n GLY 150 N 3.39 0.18 3.80 0.62 0.00 -1.26 -5.16 105.19 106.76 1k0s n GLY 150 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70