#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 3.17 4.81 -1.26 -5.02 118.16 119.86 1k0s n LYS 2 Ca 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1k0s n LYS 2 Cb 0.00 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 33.93 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 -1.33 0.00 -0.02 3.15 5.66 -1.26 -4.98 114.28 115.49 1k0s n THR 3 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1k0s n THR 3 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 0.74 -5.31 1.09 3.38 -2.03 -3.35 115.31 109.83 1k0s h LEU 4 Ca 0.00 -0.64 -0.25 0.00 0.09 0.00 0.00 57.88 57.08 1k0s h LEU 4 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1k0s h LEU 4 CO 0.00 1.26 1.75 0.00 0.09 0.00 0.00 178.44 181.54 1k0s n ALA 5 N -2.57 3.82 -1.88 1.53 0.00 -1.26 -4.90 120.51 115.25 1k0s n ALA 5 Ca -0.08 -1.39 -0.41 0.00 0.00 0.00 0.00 53.44 51.55 1k0s n ALA 5 Cb 0.66 -2.74 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 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 3.44 6.72 0.50 0.00 1.11 -1.26 -4.71 116.67 122.47 1k0s s ASP 6 Ca 0.31 2.63 0.00 0.00 0.18 0.00 0.00 52.55 55.67 1k0s s ASP 6 Cb 0.10 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1k0s s ASP 6 CO -0.02 -0.64 0.00 0.00 1.18 0.00 0.00 175.17 175.69 1k0s n ALA 7 N 2.05 -1.85 -2.77 5.23 0.00 -1.26 -4.99 120.51 116.92 1k0s n ALA 7 Ca 0.05 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1k0s n ALA 7 Cb 0.41 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.60 1k0s n ALA 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1k0s n LEU 8 N -1.54 -1.38 0.00 0.00 -0.00 -1.26 -4.94 117.00 107.87 1k0s n LEU 8 Ca 0.00 -3.80 0.00 0.00 -0.00 0.00 0.00 56.01 52.21 1k0s n LEU 8 Cb 0.17 0.55 0.00 0.00 -0.00 0.00 0.00 43.42 44.14 1k0s n LEU 8 CO 0.00 1.99 0.00 1.17 -0.00 0.00 0.00 177.39 180.55 1k0s n LYS 9 N -0.02 0.00 -4.09 1.96 0.00 -1.26 -4.87 118.16 109.88 1k0s n LYS 9 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.28 1k0s n LYS 9 Cb 0.76 -0.02 -0.09 0.00 0.00 0.00 0.00 35.03 35.67 1k0s n LYS 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1k0s s GLU 10 N -1.77 0.86 -0.27 1.64 2.12 -1.26 -2.77 118.70 117.24 1k0s s GLU 10 Ca 0.00 -1.31 -0.24 0.00 0.36 0.00 0.00 54.97 53.78 1k0s s GLU 10 Cb 0.00 0.26 0.09 0.00 0.26 0.00 0.00 34.13 34.73 1k0s s GLU 10 CO 0.00 -0.24 0.81 0.12 -0.54 0.00 0.00 175.26 175.41 1k0s s PHE 11 N -3.99 -0.72 0.11 5.30 5.36 0.34 -4.62 117.98 119.75 1k0s s PHE 11 Ca 0.17 1.72 -0.19 0.00 -0.96 0.00 0.00 56.93 57.67 1k0s s PHE 11 Cb 0.07 0.33 -0.07 0.00 -0.34 0.00 0.00 43.02 43.01 1k0s s PHE 11 CO -0.03 -0.35 0.60 -1.83 -1.46 0.00 0.00 175.22 172.15 1k0s s GLU 12 N 0.47 4.20 0.29 10.12 1.03 -1.26 -0.03 118.70 133.51 1k0s s GLU 12 Ca -0.00 0.74 -0.18 0.00 0.03 0.00 0.00 54.97 55.57 1k0s s GLU 12 Cb -0.05 -3.16 0.02 0.00 -0.80 0.00 0.00 34.13 30.14 1k0s s GLU 12 CO -0.03 0.59 0.66 0.54 -1.33 0.00 0.00 175.26 175.68 1k0s s VAL 13 N -1.21 0.00 0.02 1.83 0.11 -0.00 -4.53 120.40 116.62 1k0s s VAL 13 Ca 0.32 -1.13 -0.20 0.00 -2.93 0.00 0.00 61.98 58.04 1k0s s VAL 13 Cb -0.19 -2.18 -0.06 0.00 -1.53 0.00 0.00 36.38 32.43 1k0s s VAL 13 CO 0.20 0.00 0.60 -0.22 -3.33 0.00 0.00 175.10 172.35 1k0s s LEU 14 N -2.97 4.44 0.07 2.54 1.98 -0.53 0.19 118.68 124.39 1k0s s LEU 14 Ca 0.15 1.20 -0.15 0.00 -2.89 0.00 0.00 54.13 52.44 1k0s s LEU 14 Cb -0.04 -2.93 0.03 0.00 0.66 0.00 0.00 46.19 43.90 1k0s s LEU 14 CO 0.09 0.14 0.35 -0.94 -1.89 0.00 0.00 176.35 174.09 1k0s s SER 15 N -0.38 -0.17 0.19 3.68 1.04 -0.26 -0.30 113.70 117.50 1k0s s SER 15 Ca 0.31 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.42 1k0s s SER 15 Cb -0.19 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 1k0s s SER 15 CO 0.18 -0.69 0.37 0.72 0.98 0.00 0.00 173.24 174.79 1k0s s PHE 16 N -2.94 0.33 0.09 5.02 -0.12 0.48 0.89 117.98 121.74 1k0s s PHE 16 Ca -0.02 -0.69 -0.20 0.00 -0.05 0.00 0.00 56.93 55.97 1k0s s PHE 16 Cb 0.00 0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 42.38 1k0s s PHE 16 CO -0.06 -0.82 0.60 -2.00 -0.05 0.00 0.00 175.22 172.89 1k0s s GLU 17 N -3.97 4.24 -0.39 1.99 2.12 -0.17 -1.03 118.70 121.49 1k0s s GLU 17 Ca 0.18 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.31 1k0s s GLU 17 Cb 0.02 -3.22 0.15 0.00 0.26 0.00 0.00 34.13 31.34 1k0s s GLU 17 CO 0.02 0.62 0.27 0.42 -0.54 0.00 0.00 175.26 176.05 1k0s s ILE 18 N -1.14 0.36 -1.12 -3.70 -1.09 0.27 -4.02 121.20 110.76 1k0s s ILE 18 Ca 0.31 -2.18 -0.19 0.00 -2.23 0.00 0.00 60.65 56.36 1k0s s ILE 18 Cb -0.20 -1.27 -0.02 0.00 -1.58 0.00 0.00 42.46 39.40 1k0s s ILE 18 CO 0.20 -1.08 0.82 0.47 -1.23 0.00 0.00 174.94 174.12 1k0s n ASP 19 N 3.51 -5.57 0.00 3.58 9.92 -1.26 -1.33 116.55 125.40 1k0s n ASP 19 Ca 0.19 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.48 1k0s n ASP 19 Cb 0.41 -3.67 0.00 0.00 -0.64 0.00 0.00 41.12 37.22 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k0s n GLU 20 N -4.03 0.00 -3.24 -1.24 1.02 -1.26 -4.85 120.64 107.04 1k0s n GLU 20 Ca -0.09 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.67 1k0s n GLU 20 Cb 0.59 -0.09 -0.06 0.00 -0.02 0.00 0.00 31.44 31.87 1k0s n GLU 20 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1k0s s GLN 21 N 0.00 4.25 0.53 3.49 0.74 -0.44 -4.81 119.66 123.41 1k0s s GLN 21 Ca 0.00 0.77 -0.04 0.00 0.05 0.00 0.00 55.36 56.14 1k0s s GLN 21 Cb 0.00 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 30.85 1k0s s GLN 21 CO 0.00 0.60 0.80 0.00 -0.55 0.00 0.00 175.29 176.14 1k0s s ALA 22 N -0.99 3.47 -0.10 1.58 0.00 0.73 0.98 121.76 127.43 1k0s s ALA 22 Ca 0.30 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1k0s s ALA 22 Cb -0.20 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.51 1k0s s ALA 22 CO 0.19 -0.59 0.25 -1.17 0.00 0.00 0.00 175.76 174.45 1k0s s LEU 23 N -4.80 0.92 0.05 0.00 2.96 -0.20 -1.71 118.68 115.89 1k0s s LEU 23 Ca 0.51 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 1k0s s LEU 23 Cb -0.10 0.85 -0.03 0.00 0.50 0.00 0.00 46.19 47.41 1k0s s LEU 23 CO 0.43 -0.10 -0.04 0.00 -1.32 0.00 0.00 176.35 175.31 1k0s s ALA 24 N 0.34 0.45 -0.00 5.97 0.00 0.18 -0.38 121.76 128.31 1k0s s ALA 24 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1k0s s ALA 24 Cb -0.03 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1k0s s ALA 24 CO -0.01 -0.24 -0.02 -0.06 0.00 0.00 0.00 175.76 175.44 1k0s s PHE 25 N -2.71 0.19 -0.14 0.00 0.40 0.59 -0.96 117.98 115.35 1k0s s PHE 25 Ca -0.02 -0.02 -0.37 0.00 -0.60 0.00 0.00 56.93 55.91 1k0s s PHE 25 Cb -0.01 -0.15 -0.14 0.00 0.51 0.00 0.00 43.02 43.23 1k0s s PHE 25 CO -0.05 -0.02 1.76 -3.47 0.70 0.00 0.00 175.22 174.14 1k0s n ASP 26 N 3.18 2.80 0.06 1.36 -0.08 -0.91 -1.46 116.55 121.51 1k0s n ASP 26 Ca -0.14 1.04 0.05 0.00 -1.51 0.00 0.00 54.79 54.22 1k0s n ASP 26 Cb 0.58 -1.26 0.25 0.00 2.34 0.00 0.00 41.12 43.04 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1k0s n VAL 27 N 4.57 1.52 -0.30 5.18 0.24 -1.26 -2.00 118.33 126.29 1k0s n VAL 27 Ca 0.24 0.55 -0.04 0.00 -2.04 0.00 0.00 64.34 63.04 1k0s n VAL 27 Cb 0.21 -1.52 0.07 0.00 -1.47 0.00 0.00 33.84 31.13 1k0s n VAL 27 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1k0s h ASP 28 N 0.00 0.99 0.03 -1.34 3.58 -1.93 -3.27 116.42 114.49 1k0s h ASP 28 Ca 0.00 -0.07 -0.32 0.00 0.42 0.00 0.00 57.03 57.06 1k0s h ASP 28 Cb 0.04 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.80 1k0s h ASP 28 CO 0.00 0.77 -1.77 -3.20 -2.88 0.00 0.00 179.24 172.16 1k0s n ASN 29 N -4.44 1.96 -4.69 2.28 5.15 -0.85 -4.91 115.26 109.76 1k0s n ASN 29 Ca 0.08 0.31 -0.44 0.00 -0.60 0.00 0.00 54.58 53.93 1k0s n ASN 29 Cb 0.06 -0.87 -0.04 0.00 -0.53 0.00 0.00 39.78 38.40 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 -4.07 0.20 -0.04 -1.44 2.08 -1.07 -3.13 119.36 111.89 1k0s n ILE 30 Ca -0.37 -0.04 -0.01 0.00 0.56 0.00 0.00 62.75 62.89 1k0s n ILE 30 Cb 0.84 -1.87 -0.00 0.00 -0.75 0.00 0.00 39.64 37.85 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 7.41 0.00 -2.27 0.38 5.08 -0.85 -3.45 114.58 120.88 1k0s h GLU 31 Ca -0.45 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.11 1k0s h GLU 31 Cb 1.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1k0s h GLU 31 CO 0.93 0.00 0.60 1.41 -1.00 0.00 0.00 179.01 180.95 1k0s s MET 32 N -1.48 1.09 0.26 2.33 1.75 -1.19 -5.01 119.30 117.05 1k0s s MET 32 Ca -0.03 -0.65 -0.01 0.00 -1.25 0.00 0.00 55.69 53.76 1k0s s MET 32 Cb 0.00 0.34 -0.04 0.00 2.84 0.00 0.00 34.83 37.97 1k0s s MET 32 CO 0.04 -0.50 0.46 0.14 -0.65 0.00 0.00 175.02 174.51 1k0s s VAL 33 N -2.66 5.15 -0.29 10.11 -7.23 -1.26 -0.26 120.40 123.96 1k0s s VAL 33 Ca 0.17 -0.36 -0.12 0.00 -1.81 0.00 0.00 61.98 59.86 1k0s s VAL 33 Cb -0.01 -3.78 0.11 0.00 0.56 0.00 0.00 36.38 33.27 1k0s s VAL 33 CO 0.02 -0.31 0.67 0.27 -0.31 0.00 0.00 175.10 175.44 1k0s s ILE 34 N -2.03 -0.64 -0.31 -0.62 -4.36 0.17 -4.92 121.20 108.50 1k0s s ILE 34 Ca 0.39 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.57 1k0s s ILE 34 Cb -0.10 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.60 1k0s s ILE 34 CO 0.31 0.00 0.68 -1.61 0.24 0.00 0.00 174.94 174.56 1k0s s GLU 35 N 2.44 3.89 -0.39 0.37 8.01 -1.26 -0.64 118.70 131.12 1k0s s GLU 35 Ca -0.07 0.36 0.04 0.00 0.01 0.00 0.00 54.97 55.30 1k0s s GLU 35 Cb -0.09 -3.74 0.30 0.00 -4.31 0.00 0.00 34.13 26.29 1k0s s GLU 35 CO -0.19 -0.63 1.20 1.17 0.01 0.00 0.00 175.26 176.82 1k0s n LYS 36 N 6.02 0.50 -0.66 1.61 4.81 -1.26 -4.97 118.16 124.21 1k0s n LYS 36 Ca 0.01 -1.23 -0.31 0.00 -0.87 0.00 0.00 58.31 55.90 1k0s n LYS 36 Cb 0.49 -0.65 0.18 0.00 0.02 0.00 0.00 35.03 35.07 1k0s n LYS 36 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k0s n SER 37 N 0.87 -1.06 -3.60 3.14 7.64 -1.26 -3.82 113.62 115.52 1k0s n SER 37 Ca 0.02 0.20 -0.20 0.00 1.01 0.00 0.00 58.87 59.90 1k0s n SER 37 Cb 0.71 -1.30 0.05 0.00 -1.01 0.00 0.00 64.21 62.66 1k0s n SER 37 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k0s n ASP 38 N -3.37 -1.74 -4.79 6.43 2.03 -1.26 -4.96 116.55 108.88 1k0s n ASP 38 Ca 0.07 -0.76 -0.35 0.00 0.52 0.00 0.00 54.79 54.27 1k0s n ASP 38 Cb 0.54 -4.42 -0.05 0.00 -0.72 0.00 0.00 41.12 36.47 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k0s s ILE 39 N -3.56 3.98 0.00 5.18 1.01 -1.25 -4.53 121.20 122.04 1k0s s ILE 39 Ca 0.03 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1k0s s ILE 39 Cb -0.01 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1k0s s ILE 39 CO 0.78 -0.10 0.00 0.41 0.00 0.00 0.00 174.94 176.03 1k0s n THR 40 N -0.29 0.00 -0.09 2.92 -1.04 -1.26 -3.81 114.28 110.71 1k0s n THR 40 Ca 0.06 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.90 1k0s n THR 40 Cb 0.51 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.93 1k0s n THR 40 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1k0s h PRO 41 N 0.19 0.00 0.01 -2.82 0.13 -1.79 -3.29 132.00 124.42 1k0s h PRO 41 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1k0s h PRO 41 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1k0s h PRO 41 CO 0.00 0.80 -1.01 -0.39 -0.23 0.00 0.00 178.00 177.17 1k0s h VAL 42 N -1.00 1.70 0.00 1.56 -1.51 -1.87 -3.21 116.25 111.93 1k0s h VAL 42 Ca -0.22 -3.38 0.00 0.00 -1.23 0.00 0.00 66.70 61.87 1k0s h VAL 42 Cb 1.07 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 33.08 1k0s h VAL 42 CO -0.13 0.97 0.00 -2.65 -1.23 0.00 0.00 177.57 174.52 1k0s n PRO 43 N -3.37 0.00 0.02 5.19 -0.02 -1.26 -4.07 135.00 131.49 1k0s n PRO 43 Ca -0.01 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1k0s n PRO 43 Cb 0.94 -1.40 -0.00 0.00 -0.02 0.00 0.00 33.50 33.02 1k0s n PRO 43 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1k0s h LYS 44 N 0.00 -0.05 -6.21 -0.52 3.64 -1.78 -3.47 116.57 108.17 1k0s h LYS 44 Ca 0.00 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.95 1k0s h LYS 44 Cb 0.00 0.01 0.09 0.00 -0.41 0.00 0.00 32.23 31.92 1k0s h LYS 44 CO 0.00 -0.03 -0.94 0.45 -2.27 0.00 0.00 179.45 176.66 1k0s n SER 45 N -2.21 -5.16 0.13 4.20 2.88 -1.21 -4.87 113.62 107.38 1k0s n SER 45 Ca -0.01 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1k0s n SER 45 Cb 0.02 -3.43 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k0s n ARG 46 N -4.17 0.00 -0.13 -1.46 5.12 -1.26 -5.10 116.66 109.66 1k0s n ARG 46 Ca -0.10 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.80 1k0s n ARG 46 Cb 0.60 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.91 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1k0s n HIS 47 N -3.21 -3.67 -0.06 -1.55 8.25 -1.26 -4.69 115.22 109.04 1k0s n HIS 47 Ca 0.00 -0.09 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 1k0s n HIS 47 Cb 0.00 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.25 0.71 -1.73 4.41 3.57 -1.89 -3.45 116.94 117.30 1k0s h PHE 48 Ca -0.03 -0.25 -0.68 0.00 3.53 0.00 0.00 57.97 60.54 1k0s h PHE 48 Cb 0.10 -0.13 0.04 0.00 2.79 0.00 0.00 35.95 38.75 1k0s h PHE 48 CO 0.00 0.99 0.62 0.28 -2.23 0.00 0.00 178.31 177.97 1k0s n VAL 49 N -4.31 0.10 -0.14 1.41 0.31 -1.26 -4.82 118.33 109.61 1k0s n VAL 49 Ca -0.06 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.13 1k0s n VAL 49 Cb 0.50 -1.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.39 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 5.51 0.97 0.00 5.55 4.11 -1.77 -3.46 114.58 125.49 1k0s h GLU 50 Ca -0.47 -0.45 0.02 0.00 0.07 0.00 0.00 59.36 58.53 1k0s h GLU 50 Cb 1.32 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1k0s h GLU 50 CO 0.84 1.12 0.23 0.41 0.07 0.00 0.00 179.01 181.67 1k0s n GLY 51 N -0.02 1.22 3.39 1.06 0.00 -0.94 -3.52 105.19 106.38 1k0s n GLY 51 Ca -0.01 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.40 0.03 -0.14 1.61 -7.23 -1.26 0.39 120.40 111.40 1k0s s VAL 52 Ca 0.11 -1.53 -0.27 0.00 -1.81 0.00 0.00 61.98 58.48 1k0s s VAL 52 Cb -0.02 -2.10 0.07 0.00 0.56 0.00 0.00 36.38 34.88 1k0s s VAL 52 CO 0.06 -0.14 0.66 0.27 -0.31 0.00 0.00 175.10 175.64 1k0s s ILE 53 N -4.03 0.00 0.01 -0.62 -4.36 -0.71 -4.09 121.20 107.41 1k0s s ILE 53 Ca 0.24 -0.03 -0.20 0.00 -0.26 0.00 0.00 60.65 60.39 1k0s s ILE 53 Cb 0.03 -0.95 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 1k0s s ILE 53 CO 0.06 -0.02 0.60 0.21 0.24 0.00 0.00 174.94 176.03 1k0s s ASN 54 N -0.50 6.99 -0.26 4.36 2.47 -1.26 -0.26 114.94 126.48 1k0s s ASN 54 Ca -0.06 1.18 -0.23 0.00 0.42 0.00 0.00 52.86 54.17 1k0s s ASN 54 Cb -0.02 -2.37 0.07 0.00 -1.45 0.00 0.00 41.25 37.48 1k0s s ASN 54 CO 0.06 0.12 0.69 -0.76 -3.72 0.00 0.00 177.10 173.49 1k0s s LEU 55 N -0.30 -0.68 -1.52 3.21 1.43 0.96 -4.92 118.68 116.86 1k0s s LEU 55 Ca 0.31 1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 54.74 1k0s s LEU 55 Cb -0.18 2.38 0.06 0.00 0.03 0.00 0.00 46.19 48.47 1k0s s LEU 55 CO 0.18 -0.24 0.60 0.54 0.23 0.00 0.00 176.35 177.66 1k0s n ARG 56 N 2.88 -3.52 -3.66 1.70 5.12 -1.26 -0.62 116.66 117.31 1k0s n ARG 56 Ca -0.15 0.42 -0.24 0.00 -1.93 0.00 0.00 57.85 55.95 1k0s n ARG 56 Cb 0.56 -4.83 0.07 0.00 -1.16 0.00 0.00 32.46 27.09 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k0s n GLY 57 N -1.76 -0.51 3.64 -0.13 0.00 -1.26 -4.98 105.19 100.20 1k0s n GLY 57 Ca -0.15 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.27 0.45 0.11 1.61 3.52 0.21 -5.16 118.95 113.43 1k0s s ARG 58 Ca 0.52 0.70 -0.18 0.00 -0.13 0.00 0.00 55.73 56.64 1k0s s ARG 58 Cb -0.24 0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.22 1k0s s ARG 58 CO 0.76 -0.08 0.59 0.42 -0.81 0.00 0.00 175.30 176.17 1k0s s ILE 59 N 1.04 4.73 -0.06 4.11 1.09 -1.26 -0.03 121.20 130.83 1k0s s ILE 59 Ca -0.06 1.15 0.03 0.00 -1.10 0.00 0.00 60.65 60.68 1k0s s ILE 59 Cb -0.04 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.50 1k0s s ILE 59 CO -0.13 0.44 -0.16 0.27 -0.10 0.00 0.00 174.94 175.26 1k0s s ILE 60 N -1.24 1.40 -0.35 2.92 -5.25 0.64 -4.87 121.20 114.45 1k0s s ILE 60 Ca 0.33 -0.67 -0.28 0.00 -0.99 0.00 0.00 60.65 59.04 1k0s s ILE 60 Cb -0.18 -1.23 0.02 0.00 2.95 0.00 0.00 42.46 44.01 1k0s s ILE 60 CO 0.20 0.41 1.04 -2.16 -1.79 0.00 0.00 174.94 172.64 1k0s s PRO 61 N 0.32 3.98 0.00 0.37 0.04 -1.22 -1.73 135.00 136.77 1k0s s PRO 61 Ca -0.10 0.91 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 1k0s s PRO 61 Cb -0.14 -3.77 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 1k0s s PRO 61 CO 0.04 -0.95 0.59 0.14 0.04 0.00 0.00 177.00 176.85 1k0s s VAL 62 N 3.68 4.89 0.05 -0.36 -7.23 0.16 -1.37 120.40 120.22 1k0s s VAL 62 Ca 0.44 1.23 0.01 0.00 -1.81 0.00 0.00 61.98 61.85 1k0s s VAL 62 Cb -0.12 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 32.87 1k0s s VAL 62 CO 0.18 0.44 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.66 1k0s s VAL 63 N -0.31 0.45 -1.28 1.32 1.01 -0.68 -2.22 120.40 118.68 1k0s s VAL 63 Ca 0.31 -1.40 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1k0s s VAL 63 Cb -0.18 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1k0s s VAL 63 CO 0.17 -0.64 2.35 0.59 0.00 0.00 0.00 175.10 177.57 1k0s n ASN 64 N 0.85 5.08 -0.25 3.32 3.02 -1.26 -2.02 115.26 124.01 1k0s n ASN 64 Ca -0.19 -2.65 0.14 0.00 -0.03 0.00 0.00 54.58 51.85 1k0s n ASN 64 Cb 0.57 -1.43 0.43 0.00 -0.61 0.00 0.00 39.78 38.74 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 9.68 0.56 -2.43 3.41 6.46 -1.83 0.62 115.31 131.78 1k0s h LEU 65 Ca 0.61 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.43 1k0s h LEU 65 Cb 0.47 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1k0s h LEU 65 CO 1.81 0.27 0.13 0.00 -0.62 0.00 0.00 178.44 180.02 1k0s h ALA 66 N 1.61 1.49 0.03 1.25 0.00 -1.83 0.46 119.26 122.27 1k0s h ALA 66 Ca 0.45 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1k0s h ALA 66 Cb 0.85 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1k0s h ALA 66 CO -0.19 -0.17 -0.52 -0.22 0.00 0.00 0.00 179.25 178.14 1k0s h LYS 67 N 0.00 0.06 -1.00 0.00 3.11 0.02 1.06 116.57 119.82 1k0s h LYS 67 Ca 0.04 -0.10 0.04 0.00 -2.81 0.00 0.00 60.65 57.82 1k0s h LYS 67 Cb 0.30 0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.50 1k0s h LYS 67 CO -0.00 1.05 0.65 0.97 -2.81 0.00 0.00 179.45 179.31 1k0s h ILE 68 N -0.86 1.16 0.00 2.00 2.10 -0.78 -2.28 117.51 118.86 1k0s h ILE 68 Ca -0.13 -0.43 -0.03 0.00 1.08 0.00 0.00 64.86 65.36 1k0s h ILE 68 Cb 1.22 -0.20 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 1k0s h ILE 68 CO -0.03 0.23 -0.11 0.25 -1.08 0.00 0.00 178.15 177.41 1k0s h LEU 69 N 1.25 0.09 0.00 2.19 7.12 -0.22 -3.50 115.31 122.24 1k0s h LEU 69 Ca 0.40 -0.81 0.00 0.00 0.13 0.00 0.00 57.88 57.60 1k0s h LEU 69 Cb 0.02 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1k0s h LEU 69 CO -0.13 0.90 0.00 0.61 -0.13 0.00 0.00 178.44 179.69 1k0s n GLY 70 N 1.13 1.81 0.92 3.75 0.00 0.37 -4.99 105.19 108.18 1k0s n GLY 70 Ca -0.10 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.26 -0.38 -0.61 -5.35 -1.25 -4.01 119.36 107.49 1k0s n ILE 71 Ca 0.00 0.35 0.30 0.00 -0.27 0.00 0.00 62.75 63.12 1k0s n ILE 71 Cb 0.00 -0.56 0.57 0.00 -1.74 0.00 0.00 39.64 37.91 1k0s n ILE 71 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1k0s h SER 72 N -1.19 0.35 -0.41 7.28 0.02 -1.90 -3.43 113.55 114.28 1k0s h SER 72 Ca -0.07 0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.77 1k0s h SER 72 Cb 0.83 0.08 0.04 0.00 0.14 0.00 0.00 62.40 63.49 1k0s h SER 72 CO 0.03 -0.07 -0.22 0.33 -1.14 0.00 0.00 176.83 175.76 1k0s n PHE 73 N -4.70 -0.30 -2.11 3.45 7.35 -1.26 -4.92 117.46 114.98 1k0s n PHE 73 Ca 0.32 0.31 -0.05 0.00 -0.76 0.00 0.00 57.45 57.27 1k0s n PHE 73 Cb 1.15 -0.67 -0.02 0.00 0.35 0.00 0.00 39.48 40.28 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 0.73 -1.00 -3.76 -2.13 -0.08 -1.26 -4.97 116.55 104.08 1k0s n ASP 74 Ca 0.06 -1.88 -0.25 0.00 -1.51 0.00 0.00 54.79 51.21 1k0s n ASP 74 Cb 0.10 0.35 0.04 0.00 2.34 0.00 0.00 41.12 43.95 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1k0s n GLU 75 N -0.31 -5.50 -0.10 -0.67 1.02 -1.26 -4.92 120.64 108.91 1k0s n GLU 75 Ca -0.24 0.64 -0.15 0.00 -0.02 0.00 0.00 57.16 57.40 1k0s n GLU 75 Cb 0.70 -5.39 -0.14 0.00 -0.02 0.00 0.00 31.44 26.59 1k0s n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k0s n GLN 76 N -4.48 0.67 -0.34 3.49 10.64 -1.26 -4.72 117.38 121.38 1k0s n GLN 76 Ca -0.15 0.12 0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1k0s n GLN 76 Cb 0.61 -1.56 0.02 0.00 -0.86 0.00 0.00 30.24 28.45 1k0s n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1k0s n LYS 77 N -3.11 0.26 -1.64 2.61 4.76 -1.26 -5.10 118.16 114.67 1k0s n LYS 77 Ca -0.38 -1.12 -0.42 0.00 -2.87 0.00 0.00 58.31 53.52 1k0s n LYS 77 Cb 1.05 -0.64 0.01 0.00 -1.84 0.00 0.00 35.03 33.61 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1k0s n MET 78 N -0.19 1.61 -2.10 1.97 2.81 -1.26 -4.44 117.12 115.52 1k0s n MET 78 Ca 0.02 0.57 -0.02 0.00 -1.81 0.00 0.00 57.70 56.47 1k0s n MET 78 Cb 0.64 -2.15 0.04 0.00 -0.71 0.00 0.00 33.22 31.04 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 0.23 0.50 -3.54 0.03 2.85 0.44 -4.81 118.16 113.86 1k0s n LYS 79 Ca 0.08 -0.57 -0.08 0.00 -1.05 0.00 0.00 58.31 56.69 1k0s n LYS 79 Cb 0.38 0.12 -0.03 0.00 -0.65 0.00 0.00 35.03 34.85 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 -0.43 -0.32 -0.02 -5.58 1.04 0.14 -4.79 113.70 103.74 1k0s s SER 80 Ca 0.04 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.56 1k0s s SER 80 Cb 0.16 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1k0s s SER 80 CO -0.05 -0.49 -0.01 -0.63 0.98 0.00 0.00 173.24 173.04 1k0s s ILE 81 N -2.59 0.23 -0.17 -1.02 1.01 0.18 0.38 121.20 119.22 1k0s s ILE 81 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 1k0s s ILE 81 Cb -0.01 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1k0s s ILE 81 CO -0.06 0.14 0.03 -0.63 0.00 0.00 0.00 174.94 174.42 1k0s s ILE 82 N 0.74 4.51 0.09 2.92 1.01 0.21 0.45 121.20 131.14 1k0s s ILE 82 Ca -0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1k0s s ILE 82 Cb -0.11 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1k0s s ILE 82 CO -0.01 0.47 0.26 -0.69 0.00 0.00 0.00 174.94 174.97 1k0s s VAL 83 N 0.36 5.32 0.32 2.92 1.01 0.64 -0.25 120.40 130.72 1k0s s VAL 83 Ca 0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1k0s s VAL 83 Cb -0.13 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1k0s s VAL 83 CO 0.01 0.08 0.59 0.00 0.00 0.00 0.00 175.10 175.78 1k0s s ALA 84 N -1.58 -0.18 0.03 5.51 0.00 0.28 -0.18 121.76 125.64 1k0s s ALA 84 Ca 0.37 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1k0s s ALA 84 Cb -0.13 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1k0s s ALA 84 CO 0.27 -0.89 -0.17 -0.98 0.00 0.00 0.00 175.76 173.99 1k0s s ARG 85 N -3.27 1.20 -0.30 0.00 1.70 -1.18 0.29 118.95 117.39 1k0s s ARG 85 Ca 0.22 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 1k0s s ARG 85 Cb -0.02 -1.24 0.19 0.00 -0.57 0.00 0.00 34.95 33.31 1k0s s ARG 85 CO 0.13 0.32 0.60 0.95 -1.08 0.00 0.00 175.30 176.22 1k0s s THR 86 N -0.70 -1.00 -1.50 4.99 -4.23 0.34 -4.85 115.64 108.69 1k0s s THR 86 Ca 0.05 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1k0s s THR 86 Cb -0.08 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.80 1k0s s THR 86 CO 0.01 0.00 0.43 1.17 -0.54 0.00 0.00 174.62 175.69 1k0s n LYS 87 N 5.43 -2.84 -2.45 3.99 3.00 -1.26 -0.00 118.16 124.03 1k0s n LYS 87 Ca 0.00 0.34 -0.07 0.00 -0.00 0.00 0.00 58.31 58.58 1k0s n LYS 87 Cb 0.52 -4.50 0.01 0.00 0.00 0.00 0.00 35.03 31.06 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k0s n ASP 88 N -2.89 -3.00 -3.75 3.14 9.92 -1.26 -5.03 116.55 113.68 1k0s n ASP 88 Ca -0.23 -0.08 -0.28 0.00 -0.53 0.00 0.00 54.79 53.68 1k0s n ASP 88 Cb 0.64 -1.99 -0.16 0.00 -0.64 0.00 0.00 41.12 38.97 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 -2.68 0.59 -0.72 2.53 1.01 1.00 -5.07 120.40 117.06 1k0s s VAL 89 Ca 0.08 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 1k0s s VAL 89 Cb -0.04 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.36 1k0s s VAL 89 CO 0.10 -0.18 1.00 -1.61 0.00 0.00 0.00 175.10 174.41 1k0s s GLU 90 N 1.83 3.21 0.31 2.72 2.02 -1.25 0.13 118.70 127.67 1k0s s GLU 90 Ca -0.01 -1.02 -0.10 0.00 0.02 0.00 0.00 54.97 53.86 1k0s s GLU 90 Cb -0.17 -4.39 -0.07 0.00 0.10 0.00 0.00 34.13 29.60 1k0s s GLU 90 CO -0.08 -1.82 0.66 0.08 0.02 0.00 0.00 175.26 174.12 1k0s s VAL 91 N 3.82 4.85 0.19 2.63 1.01 0.14 -3.39 120.40 129.65 1k0s s VAL 91 Ca 0.24 0.55 0.09 0.00 0.00 0.00 0.00 61.98 62.86 1k0s s VAL 91 Cb -0.14 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1k0s s VAL 91 CO 0.06 -0.27 -0.18 -0.83 0.00 0.00 0.00 175.10 173.88 1k0s s GLY 92 N -2.72 1.49 -0.08 4.51 0.00 -0.48 0.10 107.32 110.15 1k0s s GLY 92 Ca 0.49 -1.60 -0.03 0.00 0.00 0.00 0.00 44.72 43.58 1k0s s GLY 92 CO 0.25 -1.67 0.17 -0.12 0.00 0.00 0.00 173.10 171.72 1k0s s PHE 93 N -2.37 -0.20 -0.14 1.90 2.19 0.65 -1.69 117.98 118.32 1k0s s PHE 93 Ca 0.20 0.60 -0.21 0.00 0.33 0.00 0.00 56.93 57.85 1k0s s PHE 93 Cb -0.04 -0.17 -0.03 0.00 -1.31 0.00 0.00 43.02 41.47 1k0s s PHE 93 CO 0.08 -0.24 0.63 -1.17 1.83 0.00 0.00 175.22 176.35 1k0s s LEU 94 N 1.88 4.22 0.00 6.12 2.96 -0.86 0.65 118.68 133.66 1k0s s LEU 94 Ca -0.02 0.95 0.04 0.00 -0.22 0.00 0.00 54.13 54.88 1k0s s LEU 94 Cb -0.12 -2.92 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1k0s s LEU 94 CO -0.06 -0.18 0.13 1.33 -1.32 0.00 0.00 176.35 176.25 1k0s n VAL 95 N 4.21 0.00 0.00 1.68 0.24 0.16 -4.56 118.33 120.06 1k0s n VAL 95 Ca -0.02 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 1k0s n VAL 95 Cb 0.51 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.11 0.00 -3.86 -1.34 -0.08 -1.26 0.16 116.55 108.06 1k0s n ASP 96 Ca 0.02 0.06 -0.30 0.00 -1.51 0.00 0.00 54.79 53.06 1k0s n ASP 96 Cb 0.33 -0.10 -0.16 0.00 2.34 0.00 0.00 41.12 43.53 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1k0s s ARG 97 N -0.21 1.22 -0.37 -0.67 3.52 -1.26 -3.29 118.95 117.89 1k0s s ARG 97 Ca 0.00 -0.90 -0.22 0.00 -0.13 0.00 0.00 55.73 54.48 1k0s s ARG 97 Cb 0.00 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 1k0s s ARG 97 CO 0.00 -0.69 0.72 0.54 -0.81 0.00 0.00 175.30 175.07 1k0s s VAL 98 N 1.52 4.78 0.47 7.11 0.11 -1.26 -1.00 120.40 132.14 1k0s s VAL 98 Ca -0.01 0.69 0.18 0.00 -2.93 0.00 0.00 61.98 59.91 1k0s s VAL 98 Cb -0.18 -4.17 0.24 0.00 -1.53 0.00 0.00 36.38 30.73 1k0s s VAL 98 CO -0.10 -0.43 2.06 -0.07 -3.33 0.00 0.00 175.10 173.24 1k0s h LEU 99 N 9.65 0.00 0.00 2.54 -0.00 0.17 -3.47 115.31 124.20 1k0s h LEU 99 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1k0s h LEU 99 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1k0s h LEU 99 CO 0.89 0.12 0.00 0.61 -0.00 0.00 0.00 178.44 180.06 1k0s n GLY 100 N -1.10 1.74 3.66 0.83 0.00 -0.26 -4.87 105.19 105.18 1k0s n GLY 100 Ca -0.03 -0.66 -0.49 0.00 0.00 0.00 0.00 46.02 44.85 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 0.16 -4.69 1.61 0.31 -1.25 -1.10 118.33 113.37 1k0s n VAL 101 Ca 0.00 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.06 1k0s n VAL 101 Cb 0.00 -1.42 -0.16 0.00 -0.91 0.00 0.00 33.84 31.35 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 1.80 1.90 -1.23 7.52 2.96 0.49 -4.82 118.68 127.30 1k0s s LEU 102 Ca 0.85 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 54.33 1k0s s LEU 102 Cb -0.78 -0.83 0.16 0.00 0.50 0.00 0.00 46.19 45.24 1k0s s LEU 102 CO 0.46 0.13 1.53 -2.11 -1.32 0.00 0.00 176.35 175.04 1k0s n ARG 103 N 3.12 3.38 -2.91 1.98 0.00 -1.26 -0.82 116.66 120.15 1k0s n ARG 103 Ca -0.18 -3.75 -0.28 0.00 -0.00 0.00 0.00 57.85 53.64 1k0s n ARG 103 Cb 0.54 -3.06 -0.02 0.00 -0.00 0.00 0.00 32.46 29.92 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1k0s s ILE 104 N 1.62 4.91 0.09 8.89 -1.09 0.95 -4.89 121.20 131.69 1k0s s ILE 104 Ca 0.43 0.24 0.09 0.00 -2.23 0.00 0.00 60.65 59.18 1k0s s ILE 104 Cb -0.01 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1k0s s ILE 104 CO 0.01 -0.62 -0.19 0.42 -1.23 0.00 0.00 174.94 173.33 1k0s s THR 105 N -2.46 2.76 -0.81 2.92 -4.23 -1.26 0.13 115.64 112.68 1k0s s THR 105 Ca 0.47 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1k0s s THR 105 Cb -0.10 -2.23 0.28 0.00 1.34 0.00 0.00 72.50 71.79 1k0s s THR 105 CO 0.37 0.17 1.10 1.21 -0.54 0.00 0.00 174.62 176.93 1k0s n GLU 106 N 1.04 3.48 -0.31 3.99 2.13 -1.11 -4.63 120.64 125.23 1k0s n GLU 106 Ca -0.16 -4.66 0.12 0.00 0.66 0.00 0.00 57.16 53.12 1k0s n GLU 106 Cb 0.53 -2.36 0.29 0.00 0.27 0.00 0.00 31.44 30.17 1k0s n GLU 106 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1k0s n ASN 107 N 0.83 3.74 -0.09 4.31 2.85 -1.26 -4.22 115.26 121.42 1k0s n ASN 107 Ca 0.30 -2.00 -0.17 0.00 -0.11 0.00 0.00 54.58 52.61 1k0s n ASN 107 Cb 0.37 -0.41 -0.07 0.00 1.24 0.00 0.00 39.78 40.91 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k0s n GLN 108 N 1.58 0.41 -0.48 1.20 10.64 -1.26 -4.54 117.38 124.93 1k0s n GLN 108 Ca 0.23 0.14 -0.08 0.00 -1.83 0.00 0.00 57.00 55.46 1k0s n GLN 108 Cb 0.61 -1.24 0.04 0.00 -0.86 0.00 0.00 30.24 28.79 1k0s n GLN 108 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1k0s n LEU 109 N -3.48 4.76 -4.66 2.61 4.77 -1.26 0.10 117.00 119.84 1k0s n LEU 109 Ca -0.34 -2.39 -0.43 0.00 -0.03 0.00 0.00 56.01 52.82 1k0s n LEU 109 Cb 0.79 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1k0s n LEU 109 CO 0.09 0.83 1.07 -0.62 -1.33 0.00 0.00 177.39 177.43 1k0s s ASP 110 N 0.60 6.95 0.00 -1.43 -1.08 -1.26 -4.26 116.67 116.20 1k0s s ASP 110 Ca 0.16 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.92 1k0s s ASP 110 Cb 0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1k0s s ASP 110 CO 0.02 -0.74 0.00 0.18 0.52 0.00 0.00 175.17 175.15 1k0s n LEU 111 N 6.40 0.00 -2.66 -1.34 4.77 -1.26 -2.97 117.00 119.93 1k0s n LEU 111 Ca 0.14 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1k0s n LEU 111 Cb 0.45 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1k0s n LEU 111 CO 0.56 0.00 0.70 1.07 -1.33 0.00 0.00 177.39 178.39 1k0s n THR 112 N 0.00 0.00 -1.01 -5.08 5.66 -1.26 -5.12 114.28 107.47 1k0s n THR 112 Ca 0.00 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1k0s n THR 112 Cb 0.00 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 69.71 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 0.17 -6.02 -2.50 1.09 4.13 -1.16 -4.96 115.26 106.01 1k0s n ASN 113 Ca -0.12 0.74 -0.12 0.00 1.68 0.00 0.00 54.58 56.76 1k0s n ASN 113 Cb 0.72 -2.34 0.03 0.00 -1.54 0.00 0.00 39.78 36.66 1k0s n ASN 113 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1k0s n VAL 114 N -0.08 1.77 -0.60 2.41 0.31 0.12 -4.80 118.33 117.45 1k0s n VAL 114 Ca 0.00 -3.58 0.00 0.00 -0.01 0.00 0.00 64.34 60.75 1k0s n VAL 114 Cb 0.00 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1k0s n VAL 114 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k0s n SER 115 N -0.56 0.00 0.00 4.52 2.88 -1.26 -4.97 113.62 114.24 1k0s n SER 115 Ca 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1k0s n SER 115 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1k0s n SER 115 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k0s n ASP 116 N 0.00 0.00 0.00 -3.46 5.68 -1.26 -5.09 116.55 112.42 1k0s n ASP 116 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1k0s n ASP 116 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1k0s n ASP 116 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1k0s n LYS 117 N 0.00 0.00 0.01 0.11 5.02 -1.26 -4.86 118.16 117.18 1k0s n LYS 117 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k0s n LYS 117 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k0s n PHE 118 N -1.23 -0.85 0.00 2.13 -0.00 -1.26 -3.44 117.46 112.81 1k0s n PHE 118 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1k0s n PHE 118 Cb 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 39.48 39.75 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 -1.09 1.85 0.00 7.13 0.00 -1.26 -4.94 105.19 106.88 1k0s n GLY 119 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1k0s n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k0s n LYS 120 N 0.00 0.00 -3.18 1.61 0.00 -1.26 -5.12 118.16 110.20 1k0s n LYS 120 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.35 1k0s n LYS 120 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1k0s n LYS 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1k0s s LYS 121 N 0.00 0.06 0.00 1.64 2.47 -1.26 -5.09 119.74 117.56 1k0s s LYS 121 Ca 0.00 0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.55 1k0s s LYS 121 Cb 0.00 0.08 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1k0s s LYS 121 CO 0.00 -0.03 0.00 0.45 0.16 0.00 0.00 175.35 175.93 1k0s n SER 122 N 4.89 -0.60 -1.85 1.43 2.88 -1.26 -4.58 113.62 114.53 1k0s n SER 122 Ca -0.07 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.29 1k0s n SER 122 Cb 0.55 0.94 0.18 0.00 -0.75 0.00 0.00 64.21 65.12 1k0s n SER 122 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1k0s n LYS 123 N -0.98 2.16 -4.21 -1.46 2.85 -1.26 -4.26 118.16 111.00 1k0s n LYS 123 Ca 0.00 -3.13 -0.16 0.00 -1.05 0.00 0.00 58.31 53.97 1k0s n LYS 123 Cb 0.00 -2.06 -0.14 0.00 -0.65 0.00 0.00 35.03 32.19 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1k0s s GLY 124 N -1.84 0.45 -0.19 2.58 0.00 0.82 -4.87 107.32 104.27 1k0s s GLY 124 Ca 0.53 -0.50 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 1k0s s GLY 124 CO 0.06 -0.48 0.48 -2.27 0.00 0.00 0.00 173.10 170.89 1k0s s LEU 125 N -0.69 -0.10 0.13 0.66 1.98 -1.22 -1.50 118.68 117.94 1k0s s LEU 125 Ca -0.01 1.01 -0.11 0.00 -2.89 0.00 0.00 54.13 52.13 1k0s s LEU 125 Cb -0.05 1.62 0.01 0.00 0.66 0.00 0.00 46.19 48.43 1k0s s LEU 125 CO 0.00 -0.19 0.30 0.54 -1.89 0.00 0.00 176.35 175.12 1k0s s VAL 126 N 0.94 0.09 -0.28 1.68 0.11 0.11 -4.80 120.40 118.24 1k0s s VAL 126 Ca -0.06 -1.08 -0.18 0.00 -2.93 0.00 0.00 61.98 57.74 1k0s s VAL 126 Cb -0.06 -1.50 0.12 0.00 -1.53 0.00 0.00 36.38 33.41 1k0s s VAL 126 CO -0.08 -0.40 0.89 -1.59 -3.33 0.00 0.00 175.10 170.59 1k0s s LYS 127 N -3.89 0.52 0.03 1.54 0.00 -1.26 0.61 119.74 117.29 1k0s s LYS 127 Ca 0.09 0.83 -0.27 0.00 0.00 0.00 0.00 55.97 56.62 1k0s s LYS 127 Cb 0.03 0.14 0.09 0.00 0.00 0.00 0.00 37.83 38.09 1k0s s LYS 127 CO -0.07 -0.10 0.77 0.99 0.00 0.00 0.00 175.35 176.95 1k0s s THR 128 N 1.19 0.00 -1.33 3.79 2.01 0.21 -4.95 115.64 116.56 1k0s s THR 128 Ca -0.07 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1k0s s THR 128 Cb -0.04 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.48 1k0s s THR 128 CO -0.14 0.00 1.03 0.47 -0.69 0.00 0.00 174.62 175.29 1k0s n ASP 129 N -0.02 -4.06 -2.76 3.53 8.00 -1.26 -1.34 116.55 118.65 1k0s n ASP 129 Ca -0.13 -0.64 -0.17 0.00 0.71 0.00 0.00 54.79 54.56 1k0s n ASP 129 Cb 0.62 -4.76 -0.00 0.00 -0.02 0.00 0.00 41.12 36.96 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k0s n GLY 130 N -1.63 -0.50 2.86 0.44 0.00 -1.26 -4.94 105.19 100.16 1k0s n GLY 130 Ca -0.12 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.38 0.12 0.14 1.61 1.70 -0.45 -5.15 118.95 111.55 1k0s s ARG 131 Ca 0.15 0.02 -0.17 0.00 -0.47 0.00 0.00 55.73 55.26 1k0s s ARG 131 Cb -0.07 -0.21 -0.07 0.00 -0.57 0.00 0.00 34.95 34.02 1k0s s ARG 131 CO 0.18 -0.04 0.60 -0.51 -1.08 0.00 0.00 175.30 174.45 1k0s s LEU 132 N 0.38 4.39 -0.03 -1.89 1.02 -1.26 -0.62 118.68 120.67 1k0s s LEU 132 Ca -0.03 1.21 0.00 0.00 0.02 0.00 0.00 54.13 55.33 1k0s s LEU 132 Cb -0.05 -3.24 0.03 0.00 0.02 0.00 0.00 46.19 42.94 1k0s s LEU 132 CO -0.01 0.13 -0.00 -0.63 0.02 0.00 0.00 176.35 175.86 1k0s s ILE 133 N -1.38 0.21 -0.01 -0.59 1.01 0.20 -0.19 121.20 120.45 1k0s s ILE 133 Ca 0.37 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 1k0s s ILE 133 Cb -0.17 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1k0s s ILE 133 CO 0.20 0.16 0.59 -0.63 0.00 0.00 0.00 174.94 175.25 1k0s s ILE 134 N 1.07 4.93 -0.06 2.92 1.09 -0.70 0.05 121.20 130.51 1k0s s ILE 134 Ca -0.09 1.23 0.05 0.00 -1.10 0.00 0.00 60.65 60.74 1k0s s ILE 134 Cb -0.14 -3.93 -0.01 0.00 -1.06 0.00 0.00 42.46 37.32 1k0s s ILE 134 CO -0.02 0.41 -0.22 -0.47 -0.10 0.00 0.00 174.94 174.54 1k0s s TYR 135 N -0.11 2.51 0.37 3.97 5.04 -0.57 0.52 117.35 129.08 1k0s s TYR 135 Ca 0.31 -0.58 0.04 0.00 -2.44 0.00 0.00 57.07 54.40 1k0s s TYR 135 Cb -0.18 -1.62 -0.05 0.00 0.35 0.00 0.00 41.96 40.46 1k0s s TYR 135 CO 0.17 -0.12 0.06 -0.51 -1.34 0.00 0.00 175.55 173.81 1k0s s LEU 136 N -0.26 2.23 0.00 6.97 1.02 -0.13 -0.13 118.68 128.39 1k0s s LEU 136 Ca -0.00 -1.46 0.14 0.00 0.02 0.00 0.00 54.13 52.82 1k0s s LEU 136 Cb -0.13 -0.42 0.22 0.00 0.02 0.00 0.00 46.19 45.89 1k0s s LEU 136 CO 0.03 -0.68 1.05 -0.67 0.02 0.00 0.00 176.35 176.10 1k0s n ASP 137 N -0.90 0.38 -0.71 2.29 -0.08 -1.26 -2.14 116.55 114.13 1k0s n ASP 137 Ca -0.05 -1.93 -0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1k0s n ASP 137 Cb 0.66 -0.17 -0.00 0.00 2.34 0.00 0.00 41.12 43.95 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k0s n ILE 138 N 0.26 0.00 -0.03 5.18 3.06 -1.26 -4.75 119.36 121.82 1k0s n ILE 138 Ca -0.01 0.00 -0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1k0s n ILE 138 Cb 0.92 -0.03 -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 -0.02 0.78 9.51 1.82 -1.98 -2.63 116.42 123.90 1k0s h ASP 139 Ca -0.01 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.45 1k0s h ASP 139 Cb 0.03 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 1k0s h ASP 139 CO 0.01 0.39 -0.88 0.11 -1.61 0.00 0.00 179.24 177.26 1k0s h LYS 140 N -0.83 0.06 -0.22 0.28 1.79 -1.96 -2.42 116.57 113.27 1k0s h LYS 140 Ca -0.00 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1k0s h LYS 140 Cb 0.02 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1k0s h LYS 140 CO 0.00 0.90 -0.08 0.97 -1.08 0.00 0.00 179.45 180.16 1k0s h ILE 141 N 0.03 1.30 -0.44 1.86 -0.00 -1.94 -2.49 117.51 115.82 1k0s h ILE 141 Ca -0.02 -1.11 -0.07 0.00 -0.00 0.00 0.00 64.86 63.66 1k0s h ILE 141 Cb 1.54 1.57 -0.02 0.00 -0.00 0.00 0.00 36.82 39.91 1k0s h ILE 141 CO 0.12 0.34 0.02 -0.29 -0.00 0.00 0.00 178.15 178.34 1k0s h ILE 142 N 0.16 1.26 -0.78 2.19 6.09 -1.51 -1.51 117.51 123.40 1k0s h ILE 142 Ca 0.05 -1.00 0.19 0.00 -1.37 0.00 0.00 64.86 62.73 1k0s h ILE 142 Cb 0.55 1.03 -0.13 0.00 0.47 0.00 0.00 36.82 38.75 1k0s h ILE 142 CO 0.03 0.34 0.08 -0.08 -3.07 0.00 0.00 178.15 175.45 1k0s h GLU 143 N 0.61 0.14 -0.43 2.19 4.81 -1.34 0.46 114.58 121.03 1k0s h GLU 143 Ca 0.13 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 1k0s h GLU 143 Cb 0.46 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1k0s h GLU 143 CO 0.02 0.09 -0.30 0.93 -0.73 0.00 0.00 179.01 179.03 1k0s h GLU 144 N 0.15 0.94 -0.83 1.92 4.39 -1.19 -2.57 114.58 117.38 1k0s h GLU 144 Ca 0.45 -0.44 0.19 0.00 0.34 0.00 0.00 59.36 59.90 1k0s h GLU 144 Cb 0.82 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.34 1k0s h GLU 144 CO -0.65 1.10 0.30 0.82 -1.16 0.00 0.00 179.01 179.43 1k0s h ILE 145 N 0.79 0.49 0.03 3.13 2.04 0.94 0.53 117.51 125.47 1k0s h ILE 145 Ca 0.09 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1k0s h ILE 145 Cb 0.88 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1k0s h ILE 145 CO 0.08 0.06 -0.01 0.71 0.00 0.00 0.00 178.15 178.99 1k0s h THR 146 N 0.35 1.40 0.00 -0.27 1.35 -1.24 -3.27 112.91 111.23 1k0s h THR 146 Ca 0.50 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 1k0s h THR 146 Cb 0.90 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1k0s h THR 146 CO -0.52 0.41 0.00 0.55 -0.25 0.00 0.00 175.52 175.71 1k0s n VAL 147 N -4.75 0.57 -0.27 6.82 3.14 -0.95 -3.51 118.33 119.39 1k0s n VAL 147 Ca -0.09 0.14 0.07 0.00 -2.96 0.00 0.00 64.34 61.50 1k0s n VAL 147 Cb 0.34 -0.87 0.21 0.00 -1.06 0.00 0.00 33.84 32.46 1k0s n VAL 147 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1k0s h LYS 148 N 0.00 0.40 0.00 1.45 1.79 0.01 -3.47 116.57 116.76 1k0s h LYS 148 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1k0s h LYS 148 Cb 0.17 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1k0s h LYS 148 CO 0.00 0.27 0.00 0.39 -1.08 0.00 0.00 179.45 179.03 1k0s n GLU 149 N -5.03 0.00 0.00 3.15 -0.58 -1.23 -4.88 120.64 112.08 1k0s n GLU 149 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1k0s n GLU 149 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k0s n GLY 150 N 0.00 0.07 0.00 0.62 0.00 -1.26 -3.46 105.19 101.16 1k0s n GLY 150 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1k0s n GLY 150 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87