#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s h LYS 2 N 0.00 0.72 0.00 0.03 1.57 -2.06 -3.45 116.57 113.37 1k0s h LYS 2 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k0s h LYS 2 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1k0s h LYS 2 CO 0.00 0.48 0.00 2.41 -0.57 0.00 0.00 179.45 181.77 1k0s n THR 3 N -4.71 0.00 -0.16 -0.16 -1.04 -1.26 -4.44 114.28 102.52 1k0s n THR 3 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1k0s n THR 3 Cb 0.02 0.00 0.21 0.00 -1.82 0.00 0.00 70.33 68.74 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1k0s h LEU 4 N 0.00 0.80 -4.12 -4.42 8.10 -2.05 -2.82 115.31 110.79 1k0s h LEU 4 Ca 0.00 -0.10 -0.35 0.00 0.11 0.00 0.00 57.88 57.55 1k0s h LEU 4 Cb 0.00 -0.21 -0.13 0.00 -0.44 0.00 0.00 40.66 39.89 1k0s h LEU 4 CO 0.00 0.71 0.13 0.00 -4.11 0.00 0.00 178.44 175.16 1k0s n ALA 5 N -2.45 6.09 -2.77 0.17 0.00 -1.26 -4.78 120.51 115.51 1k0s n ALA 5 Ca 0.05 -2.28 -0.16 0.00 0.00 0.00 0.00 53.44 51.05 1k0s n ALA 5 Cb 0.15 -2.02 -0.13 0.00 0.00 0.00 0.00 19.45 17.45 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 0.95 0.99 -0.54 0.00 1.01 -1.07 -4.88 116.67 113.13 1k0s s ASP 6 Ca 0.54 -0.36 -0.01 0.00 0.71 0.00 0.00 52.55 53.43 1k0s s ASP 6 Cb 0.32 -0.04 -0.01 0.00 1.01 0.00 0.00 42.92 44.20 1k0s s ASP 6 CO -0.11 -0.04 0.46 0.00 0.21 0.00 0.00 175.17 175.69 1k0s n ALA 7 N 2.12 -1.14 -2.79 5.23 0.00 -1.26 -5.00 120.51 117.66 1k0s n ALA 7 Ca -0.18 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 1k0s n ALA 7 Cb 0.56 -2.01 0.04 0.00 0.00 0.00 0.00 19.45 18.04 1k0s n ALA 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k0s n LEU 8 N -2.43 0.30 0.03 0.00 4.77 -1.26 -4.91 117.00 113.51 1k0s n LEU 8 Ca -0.10 -3.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 1k0s n LEU 8 Cb 0.57 0.46 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1k0s n LEU 8 CO 0.29 1.84 0.00 1.17 -1.33 0.00 0.00 177.39 179.36 1k0s n LYS 9 N -0.05 0.00 -4.12 3.23 0.00 -1.25 -4.64 118.16 111.32 1k0s n LYS 9 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.33 1k0s n LYS 9 Cb 0.78 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.71 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 -2.00 0.73 -0.28 1.64 2.12 -1.26 -2.58 118.70 117.07 1k0s s GLU 10 Ca 0.00 -1.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.79 1k0s s GLU 10 Cb 0.00 0.11 0.11 0.00 0.26 0.00 0.00 34.13 34.61 1k0s s GLU 10 CO 0.00 -0.12 0.94 0.12 -0.54 0.00 0.00 175.26 175.66 1k0s s PHE 11 N -3.87 -0.57 -0.01 5.30 5.36 0.39 -4.70 117.98 119.87 1k0s s PHE 11 Ca 0.12 1.37 -0.21 0.00 -0.96 0.00 0.00 56.93 57.25 1k0s s PHE 11 Cb 0.07 0.34 -0.05 0.00 -0.34 0.00 0.00 43.02 43.04 1k0s s PHE 11 CO -0.06 -0.27 0.60 -1.21 -1.46 0.00 0.00 175.22 172.81 1k0s s GLU 12 N 0.33 4.33 0.24 10.12 2.02 -1.26 -0.61 118.70 133.87 1k0s s GLU 12 Ca 0.02 0.73 -0.10 0.00 0.02 0.00 0.00 54.97 55.64 1k0s s GLU 12 Cb -0.05 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.81 1k0s s GLU 12 CO -0.05 0.34 0.40 0.54 0.02 0.00 0.00 175.26 176.51 1k0s s VAL 13 N -0.09 0.00 -0.04 2.63 0.11 -0.50 -4.39 120.40 118.12 1k0s s VAL 13 Ca 0.31 -1.55 -0.21 0.00 -2.93 0.00 0.00 61.98 57.61 1k0s s VAL 13 Cb -0.18 -2.27 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 1k0s s VAL 13 CO 0.17 -0.00 0.60 -0.22 -3.33 0.00 0.00 175.10 172.32 1k0s s LEU 14 N -3.05 4.37 0.03 2.54 1.98 -0.89 0.13 118.68 123.78 1k0s s LEU 14 Ca 0.26 1.10 -0.05 0.00 -2.89 0.00 0.00 54.13 52.56 1k0s s LEU 14 Cb 0.01 -2.91 -0.01 0.00 0.66 0.00 0.00 46.19 43.93 1k0s s LEU 14 CO 0.10 0.03 0.08 -0.94 -1.89 0.00 0.00 176.35 173.72 1k0s s SER 15 N 0.19 0.18 0.11 3.68 1.04 0.12 -1.17 113.70 117.85 1k0s s SER 15 Ca 0.32 -0.51 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1k0s s SER 15 Cb -0.17 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1k0s s SER 15 CO 0.16 -0.46 0.29 0.72 0.98 0.00 0.00 173.24 174.93 1k0s s PHE 16 N -2.32 0.01 0.02 5.02 -0.71 0.35 0.99 117.98 121.34 1k0s s PHE 16 Ca -0.07 -0.39 -0.21 0.00 -1.04 0.00 0.00 56.93 55.22 1k0s s PHE 16 Cb -0.03 0.08 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1k0s s PHE 16 CO -0.03 -0.63 0.60 -1.83 -1.34 0.00 0.00 175.22 171.99 1k0s s GLU 17 N -3.84 4.31 -0.52 1.99 -1.05 -0.57 -1.16 118.70 117.85 1k0s s GLU 17 Ca 0.05 0.76 0.04 0.00 -0.15 0.00 0.00 54.97 55.66 1k0s s GLU 17 Cb 0.03 -3.32 0.16 0.00 -0.44 0.00 0.00 34.13 30.57 1k0s s GLU 17 CO -0.11 0.42 0.38 0.42 0.95 0.00 0.00 175.26 177.32 1k0s s ILE 18 N -0.37 1.47 -1.12 1.83 -1.09 0.27 -3.95 121.20 118.24 1k0s s ILE 18 Ca 0.31 -3.22 -0.19 0.00 -2.23 0.00 0.00 60.65 55.31 1k0s s ILE 18 Cb -0.19 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 1k0s s ILE 18 CO 0.18 -1.09 0.81 0.47 -1.23 0.00 0.00 174.94 174.08 1k0s n ASP 19 N 2.66 -5.50 0.00 3.58 8.00 -1.26 -1.52 116.55 122.51 1k0s n ASP 19 Ca 0.22 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1k0s n ASP 19 Cb 0.41 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k0s n GLU 20 N -4.05 0.00 -3.22 -1.24 1.02 -1.26 -4.81 120.64 107.07 1k0s n GLU 20 Ca -0.09 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.66 1k0s n GLU 20 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.96 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 4.28 0.49 3.49 0.74 -0.58 -4.85 119.66 123.24 1k0s s GLN 21 Ca 0.00 0.75 -0.04 0.00 0.05 0.00 0.00 55.36 56.12 1k0s s GLN 21 Cb 0.00 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.79 1k0s s GLN 21 CO 0.00 0.46 0.78 0.00 -0.55 0.00 0.00 175.29 175.98 1k0s s ALA 22 N -0.51 3.46 -0.12 1.58 0.00 -0.35 0.96 121.76 126.79 1k0s s ALA 22 Ca 0.30 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 1k0s s ALA 22 Cb -0.19 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1k0s s ALA 22 CO 0.18 -0.45 0.31 -1.17 0.00 0.00 0.00 175.76 174.63 1k0s s LEU 23 N -4.74 0.77 0.03 0.00 2.96 -0.31 -1.00 118.68 116.40 1k0s s LEU 23 Ca 0.49 0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 54.97 1k0s s LEU 23 Cb -0.10 1.06 -0.01 0.00 0.50 0.00 0.00 46.19 47.64 1k0s s LEU 23 CO 0.43 -0.11 0.09 0.00 -1.32 0.00 0.00 176.35 175.44 1k0s s ALA 24 N 0.24 -0.09 -0.00 5.97 0.00 0.18 -0.49 121.76 127.57 1k0s s ALA 24 Ca -0.01 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1k0s s ALA 24 Cb -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1k0s s ALA 24 CO -0.00 -0.28 -0.06 -0.06 0.00 0.00 0.00 175.76 175.35 1k0s s PHE 25 N -2.30 0.55 -0.14 0.00 0.40 -0.32 -1.63 117.98 114.54 1k0s s PHE 25 Ca -0.08 -0.12 -0.38 0.00 -0.60 0.00 0.00 56.93 55.75 1k0s s PHE 25 Cb -0.03 -0.35 -0.15 0.00 0.51 0.00 0.00 43.02 42.99 1k0s s PHE 25 CO -0.03 -0.01 1.64 -0.40 0.70 0.00 0.00 175.22 177.12 1k0s n ASP 26 N 2.85 2.33 0.11 1.36 5.75 -0.95 -2.10 116.55 125.90 1k0s n ASP 26 Ca -0.13 1.08 0.08 0.00 -0.01 0.00 0.00 54.79 55.80 1k0s n ASP 26 Cb 0.58 -1.19 0.41 0.00 -1.03 0.00 0.00 41.12 39.88 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1k0s n VAL 27 N 4.03 1.24 -0.12 2.12 0.24 -1.26 -1.80 118.33 122.79 1k0s n VAL 27 Ca 0.23 0.57 -0.09 0.00 -2.04 0.00 0.00 64.34 63.01 1k0s n VAL 27 Cb 0.17 -1.54 -0.01 0.00 -1.47 0.00 0.00 33.84 31.00 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 0.45 0.07 -1.34 3.58 -1.90 -3.27 116.42 114.01 1k0s h ASP 28 Ca 0.00 -0.07 -0.29 0.00 0.42 0.00 0.00 57.03 57.09 1k0s h ASP 28 Cb 0.07 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1k0s h ASP 28 CO 0.00 0.39 -1.57 -1.13 -2.88 0.00 0.00 179.24 174.05 1k0s h ASN 29 N 0.48 0.23 -2.41 2.28 -0.73 -1.74 -3.46 115.58 110.23 1k0s h ASN 29 Ca 0.13 -0.75 -0.53 0.00 1.87 0.00 0.00 56.30 57.02 1k0s h ASN 29 Cb 0.03 -0.07 0.02 0.00 0.27 0.00 0.00 38.32 38.56 1k0s h ASN 29 CO -0.02 1.66 1.20 -0.63 -0.37 0.00 0.00 177.43 179.27 1k0s s ILE 30 N -2.46 3.02 -0.11 2.57 -1.09 -0.74 -2.62 121.20 119.77 1k0s s ILE 30 Ca -0.25 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 1k0s s ILE 30 Cb 0.06 -3.06 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 1k0s s ILE 30 CO 0.69 -0.01 0.06 1.05 -1.23 0.00 0.00 174.94 175.51 1k0s h GLU 31 N 10.24 0.00 -1.98 2.79 4.11 -1.43 -3.43 114.58 124.89 1k0s h GLU 31 Ca -0.48 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.08 1k0s h GLU 31 Cb 1.23 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.30 1k0s h GLU 31 CO 0.94 0.12 0.57 0.00 0.07 0.00 0.00 179.01 180.71 1k0s s MET 32 N -1.70 0.67 0.30 1.06 0.23 -1.20 -5.05 119.30 113.62 1k0s s MET 32 Ca -0.04 -0.17 -0.10 0.00 -1.03 0.00 0.00 55.69 54.35 1k0s s MET 32 Cb -0.00 0.31 -0.07 0.00 -1.53 0.00 0.00 34.83 33.54 1k0s s MET 32 CO 0.10 -0.28 0.64 0.14 -2.03 0.00 0.00 175.02 173.60 1k0s s VAL 33 N -2.57 4.86 -0.13 5.16 -7.23 -1.26 -2.00 120.40 117.23 1k0s s VAL 33 Ca 0.04 0.52 -0.07 0.00 -1.81 0.00 0.00 61.98 60.67 1k0s s VAL 33 Cb -0.01 -3.67 0.05 0.00 0.56 0.00 0.00 36.38 33.31 1k0s s VAL 33 CO -0.06 -0.26 0.31 0.27 -0.31 0.00 0.00 175.10 175.05 1k0s s ILE 34 N -2.05 -0.04 -0.11 -0.62 -4.36 0.21 -4.95 121.20 109.28 1k0s s ILE 34 Ca 0.49 0.13 -0.21 0.00 -0.26 0.00 0.00 60.65 60.80 1k0s s ILE 34 Cb -0.11 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 1k0s s ILE 34 CO 0.25 0.05 0.61 -1.83 0.24 0.00 0.00 174.94 174.26 1k0s s GLU 35 N 1.34 4.36 0.05 0.37 -1.05 -1.26 -0.83 118.70 121.67 1k0s s GLU 35 Ca -0.09 0.69 -0.28 0.00 -0.15 0.00 0.00 54.97 55.13 1k0s s GLU 35 Cb -0.10 -3.47 0.09 0.00 -0.44 0.00 0.00 34.13 30.21 1k0s s GLU 35 CO -0.10 0.03 1.01 0.21 0.95 0.00 0.00 175.26 177.36 1k0s s LYS 36 N 0.98 0.87 -0.05 -4.83 2.47 -1.25 -4.94 119.74 112.98 1k0s s LYS 36 Ca 0.32 -0.43 -0.22 0.00 -1.56 0.00 0.00 55.97 54.09 1k0s s LYS 36 Cb -0.16 0.33 0.05 0.00 -1.46 0.00 0.00 37.83 36.58 1k0s s LYS 36 CO 0.14 -0.39 0.48 0.45 0.16 0.00 0.00 175.35 176.19 1k0s s SER 37 N -2.74 -0.42 -1.39 1.43 0.15 -1.26 -4.66 113.70 104.82 1k0s s SER 37 Ca 0.10 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.17 1k0s s SER 37 Cb -0.00 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.84 1k0s s SER 37 CO -0.03 -0.47 0.74 -0.67 1.20 0.00 0.00 173.24 174.01 1k0s n ASP 38 N 1.34 -2.09 0.03 5.45 -0.08 -1.26 -4.92 116.55 115.02 1k0s n ASP 38 Ca -0.19 -0.84 -0.01 0.00 -1.51 0.00 0.00 54.79 52.24 1k0s n ASP 38 Cb 0.56 -3.86 -0.01 0.00 2.34 0.00 0.00 41.12 40.16 1k0s n ASP 38 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1k0s h ILE 39 N -1.92 0.00 -0.62 5.18 2.04 -1.91 -3.43 117.51 116.85 1k0s h ILE 39 Ca -0.60 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 64.93 1k0s h ILE 39 Cb 1.37 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.23 1k0s h ILE 39 CO 0.61 0.00 -0.68 0.41 0.00 0.00 0.00 178.15 178.49 1k0s n THR 40 N -2.24 -0.17 -0.07 -0.27 -1.04 -1.26 -4.83 114.28 104.40 1k0s n THR 40 Ca -0.01 -2.33 -0.17 0.00 -2.04 0.00 0.00 64.05 59.50 1k0s n THR 40 Cb 0.03 0.59 -0.13 0.00 -1.82 0.00 0.00 70.33 69.00 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 3.71 0.04 -0.03 -2.82 0.13 -1.83 -3.33 132.00 127.86 1k0s h PRO 41 Ca -0.07 -0.06 -0.20 0.00 -0.87 0.00 0.00 66.00 64.80 1k0s h PRO 41 Cb 1.01 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1k0s h PRO 41 CO 0.33 1.03 -0.84 -0.39 -0.23 0.00 0.00 178.00 177.90 1k0s h VAL 42 N -0.91 1.42 0.00 1.56 -1.51 -1.95 -3.40 116.25 111.46 1k0s h VAL 42 Ca -0.14 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1k0s h VAL 42 Cb 1.19 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1k0s h VAL 42 CO -0.05 0.71 0.00 -2.65 -1.23 0.00 0.00 177.57 174.34 1k0s n PRO 43 N -3.76 0.00 -2.26 5.19 -0.02 -1.26 -4.72 135.00 128.18 1k0s n PRO 43 Ca -0.05 0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 1k0s n PRO 43 Cb 0.78 -0.80 -0.03 0.00 -0.02 0.00 0.00 33.50 33.43 1k0s n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k0s s LYS 44 N -0.63 4.37 -0.30 -0.52 -0.14 -1.25 -4.97 119.74 116.30 1k0s s LYS 44 Ca 0.00 1.97 -0.17 0.00 -1.36 0.00 0.00 55.97 56.41 1k0s s LYS 44 Cb 0.00 -3.27 0.18 0.00 -1.68 0.00 0.00 37.83 33.06 1k0s s LYS 44 CO 0.00 -0.35 1.18 0.45 -0.76 0.00 0.00 175.35 175.86 1k0s s SER 45 N 0.99 -0.25 0.00 2.83 0.15 -1.26 -4.66 113.70 111.51 1k0s s SER 45 Ca 0.62 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1k0s s SER 45 Cb -0.34 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1k0s s SER 45 CO 0.31 -0.05 0.00 -2.11 1.20 0.00 0.00 173.24 172.59 1k0s n ARG 46 N 4.85 0.00 0.00 5.44 1.85 -1.26 -5.15 116.66 122.39 1k0s n ARG 46 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1k0s n ARG 46 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1k0s n HIS 47 N 0.00 0.00 0.04 2.89 8.25 -1.26 -5.01 115.22 120.13 1k0s n HIS 47 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1k0s n HIS 47 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 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 0.55 -2.15 4.41 3.57 -1.92 -3.45 116.94 117.95 1k0s h PHE 48 Ca 0.00 -0.22 -0.60 0.00 3.53 0.00 0.00 57.97 60.67 1k0s h PHE 48 Cb 0.00 -0.09 0.05 0.00 2.79 0.00 0.00 35.95 38.70 1k0s h PHE 48 CO 0.00 0.96 0.82 0.28 -2.23 0.00 0.00 178.31 178.14 1k0s n VAL 49 N -3.88 0.12 -0.07 1.41 0.31 -1.26 -4.88 118.33 110.08 1k0s n VAL 49 Ca -0.04 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1k0s n VAL 49 Cb 0.66 -1.52 -0.12 0.00 -0.91 0.00 0.00 33.84 31.95 1k0s n VAL 49 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1k0s n GLU 50 N 3.98 0.63 -4.24 5.55 -0.58 -0.99 -4.65 120.64 120.33 1k0s n GLU 50 Ca 0.18 0.47 -0.23 0.00 -0.42 0.00 0.00 57.16 57.17 1k0s n GLU 50 Cb 0.28 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 1k0s n GLU 50 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k0s n GLY 51 N 1.61 3.20 3.80 0.62 0.00 -0.94 -3.92 105.19 109.55 1k0s n GLY 51 Ca -0.33 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 43.57 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 -3.08 0.00 -0.09 1.61 -7.23 -1.26 -0.38 120.40 109.97 1k0s s VAL 52 Ca 0.24 -0.85 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 1k0s s VAL 52 Cb 0.01 -1.88 0.06 0.00 0.56 0.00 0.00 36.38 35.13 1k0s s VAL 52 CO 0.17 0.00 0.61 0.27 -0.31 0.00 0.00 175.10 175.84 1k0s s ILE 53 N -3.82 0.01 0.04 -0.62 -4.36 -0.74 -4.23 121.20 107.48 1k0s s ILE 53 Ca 0.10 -0.07 -0.20 0.00 -0.26 0.00 0.00 60.65 60.21 1k0s s ILE 53 Cb -0.05 -0.91 -0.06 0.00 1.25 0.00 0.00 42.46 42.69 1k0s s ILE 53 CO 0.04 -0.04 0.60 0.21 0.24 0.00 0.00 174.94 175.99 1k0s s ASN 54 N -0.81 7.04 -0.26 4.36 3.84 -1.26 0.23 114.94 128.08 1k0s s ASN 54 Ca -0.09 1.24 -0.26 0.00 0.21 0.00 0.00 52.86 53.97 1k0s s ASN 54 Cb -0.02 -2.37 0.13 0.00 -0.55 0.00 0.00 41.25 38.44 1k0s s ASN 54 CO 0.07 0.18 1.06 -0.22 -2.79 0.00 0.00 177.10 175.40 1k0s s LEU 55 N -0.65 -0.40 -1.45 3.21 1.98 0.40 -4.95 118.68 116.82 1k0s s LEU 55 Ca 0.31 0.73 -0.07 0.00 -2.89 0.00 0.00 54.13 52.21 1k0s s LEU 55 Cb -0.19 1.81 0.05 0.00 0.66 0.00 0.00 46.19 48.51 1k0s s LEU 55 CO 0.19 -0.17 0.72 -1.14 -1.89 0.00 0.00 176.35 174.06 1k0s n ARG 56 N 1.93 -4.46 -3.85 1.98 0.63 -1.26 -0.95 116.66 110.68 1k0s n ARG 56 Ca -0.12 0.53 -0.29 0.00 -0.92 0.00 0.00 57.85 57.05 1k0s n ARG 56 Cb 0.56 -5.10 0.04 0.00 0.45 0.00 0.00 32.46 28.41 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k0s n GLY 57 N -1.69 -0.51 3.64 5.14 0.00 -1.26 -4.96 105.19 105.55 1k0s n GLY 57 Ca -0.15 0.21 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.56 0.46 -0.04 1.61 3.52 -0.12 -5.15 118.95 112.66 1k0s s ARG 58 Ca 0.64 0.59 -0.21 0.00 -0.13 0.00 0.00 55.73 56.63 1k0s s ARG 58 Cb -0.32 0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.23 1k0s s ARG 58 CO 0.81 -0.06 0.60 0.42 -0.81 0.00 0.00 175.30 176.25 1k0s s ILE 59 N 0.45 5.01 -0.11 4.11 1.09 -1.26 -0.45 121.20 130.04 1k0s s ILE 59 Ca 0.01 1.24 -0.05 0.00 -1.10 0.00 0.00 60.65 60.75 1k0s s ILE 59 Cb -0.05 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 1k0s s ILE 59 CO -0.09 0.35 0.07 0.27 -0.10 0.00 0.00 174.94 175.45 1k0s s ILE 60 N 0.24 4.92 -0.29 2.92 -5.25 0.14 -4.87 121.20 119.00 1k0s s ILE 60 Ca 0.32 -0.01 -0.24 0.00 -0.99 0.00 0.00 60.65 59.73 1k0s s ILE 60 Cb -0.17 -3.12 -0.00 0.00 2.95 0.00 0.00 42.46 42.12 1k0s s ILE 60 CO 0.16 0.60 0.80 -2.16 -1.79 0.00 0.00 174.94 172.56 1k0s s PRO 61 N -0.86 4.01 -0.11 0.37 0.04 -1.24 -1.79 135.00 135.42 1k0s s PRO 61 Ca 0.13 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 1k0s s PRO 61 Cb -0.12 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1k0s s PRO 61 CO 0.03 -0.65 0.30 0.14 0.04 0.00 0.00 177.00 176.86 1k0s s VAL 62 N 2.95 5.26 0.04 -0.36 -7.23 0.49 -1.41 120.40 120.14 1k0s s VAL 62 Ca 0.33 0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 61.07 1k0s s VAL 62 Cb -0.14 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1k0s s VAL 62 CO 0.12 0.49 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.68 1k0s s VAL 63 N -0.26 0.17 -1.26 1.32 1.01 -0.82 -2.21 120.40 118.35 1k0s s VAL 63 Ca 0.18 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 1k0s s VAL 63 Cb -0.14 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1k0s s VAL 63 CO 0.07 -0.79 2.06 0.59 0.00 0.00 0.00 175.10 177.03 1k0s n ASN 64 N 0.70 3.68 -0.28 3.32 4.13 -1.26 -1.82 115.26 123.73 1k0s n ASN 64 Ca -0.18 -2.81 0.12 0.00 1.68 0.00 0.00 54.58 53.39 1k0s n ASN 64 Cb 0.59 -1.55 0.37 0.00 -1.54 0.00 0.00 39.78 37.64 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1k0s h LEU 65 N 11.79 0.68 -2.21 3.41 6.46 -1.81 0.57 115.31 134.19 1k0s h LEU 65 Ca 0.49 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 58.35 1k0s h LEU 65 Cb 0.70 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1k0s h LEU 65 CO 1.80 0.34 0.20 0.00 -0.62 0.00 0.00 178.44 180.16 1k0s h ALA 66 N 1.60 1.84 0.17 1.25 0.00 -1.85 0.24 119.26 122.51 1k0s h ALA 66 Ca 0.46 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 55.10 1k0s h ALA 66 Cb 0.72 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.55 1k0s h ALA 66 CO -0.22 -0.30 -1.23 -0.22 0.00 0.00 0.00 179.25 177.28 1k0s h LYS 67 N 0.00 0.36 -0.68 0.00 3.64 -0.10 1.39 116.57 121.18 1k0s h LYS 67 Ca 0.09 -0.62 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1k0s h LYS 67 Cb 0.50 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 1k0s h LYS 67 CO -0.00 1.30 0.34 0.97 -2.27 0.00 0.00 179.45 179.78 1k0s h ILE 68 N -0.17 1.22 0.02 2.00 2.10 -0.59 -2.69 117.51 119.39 1k0s h ILE 68 Ca -0.23 -0.59 -0.00 0.00 1.08 0.00 0.00 64.86 65.12 1k0s h ILE 68 Cb 1.86 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1k0s h ILE 68 CO 0.17 0.25 -0.01 0.25 -1.08 0.00 0.00 178.15 177.73 1k0s h LEU 69 N 0.96 -0.02 0.00 2.19 7.12 -0.66 -3.50 115.31 121.40 1k0s h LEU 69 Ca 0.24 -0.73 0.00 0.00 0.13 0.00 0.00 57.88 57.52 1k0s h LEU 69 Cb 0.08 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1k0s h LEU 69 CO -0.03 0.81 0.00 0.61 -0.13 0.00 0.00 178.44 179.70 1k0s n GLY 70 N 1.41 2.30 0.62 3.75 0.00 0.48 -5.07 105.19 108.68 1k0s n GLY 70 Ca -0.08 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -0.34 -0.61 -5.35 -1.25 -3.90 119.36 107.91 1k0s n ILE 71 Ca 0.00 0.08 0.16 0.00 -0.27 0.00 0.00 62.75 62.72 1k0s n ILE 71 Cb 0.00 -0.22 0.38 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.83 0.69 -0.63 7.28 0.02 -1.89 -3.43 113.55 114.76 1k0s h SER 72 Ca -0.01 0.10 -0.26 0.00 -0.84 0.00 0.00 61.79 60.78 1k0s h SER 72 Cb 1.10 -0.01 0.06 0.00 0.14 0.00 0.00 62.40 63.69 1k0s h SER 72 CO 0.01 0.19 -0.35 0.33 -1.14 0.00 0.00 176.83 175.87 1k0s n PHE 73 N -4.77 -0.72 0.04 3.45 7.35 -1.25 -4.94 117.46 116.62 1k0s n PHE 73 Ca 0.24 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.22 1k0s n PHE 73 Cb 0.67 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.75 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 0.93 -0.01 0.00 -2.13 -0.08 -1.26 -4.99 116.55 109.01 1k0s n ASP 74 Ca 0.05 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1k0s n ASP 74 Cb 0.15 0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.71 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 -2.82 0.00 -0.31 -0.67 0.28 -1.26 -5.00 120.64 110.85 1k0s n GLU 75 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.16 1k0s n GLU 75 Cb 0.04 0.00 0.41 0.00 1.43 0.00 0.00 31.44 33.33 1k0s n GLU 75 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1k0s h GLN 76 N 0.00 0.57 0.00 3.44 3.07 -2.01 -0.79 115.11 119.40 1k0s h GLN 76 Ca 0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 58.65 58.56 1k0s h GLN 76 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.41 1k0s h GLN 76 CO 0.00 0.38 -0.71 0.87 0.09 0.00 0.00 178.83 179.46 1k0s h LYS 77 N 0.59 0.00 -6.13 0.06 1.79 -1.96 -3.46 116.57 107.46 1k0s h LYS 77 Ca 0.54 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 58.28 1k0s h LYS 77 Cb 1.07 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.78 1k0s h LYS 77 CO -0.29 0.71 0.22 -1.33 -1.08 0.00 0.00 179.45 177.68 1k0s n MET 78 N -3.65 0.54 0.00 3.15 2.81 -0.30 -4.07 117.12 115.60 1k0s n MET 78 Ca -0.01 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1k0s n MET 78 Cb 0.71 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1k0s n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1k0s n LYS 79 N 1.92 0.00 -2.63 0.03 5.02 0.45 -4.85 118.16 118.09 1k0s n LYS 79 Ca 0.19 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.23 1k0s n LYS 79 Cb 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.17 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k0s s SER 80 N -1.49 5.73 -0.04 4.39 0.15 0.18 -3.85 113.70 118.78 1k0s s SER 80 Ca 0.00 0.57 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 1k0s s SER 80 Cb 0.00 -1.68 0.03 0.00 -1.71 0.00 0.00 66.02 62.66 1k0s s SER 80 CO 0.00 -0.89 0.07 -0.63 1.20 0.00 0.00 173.24 172.99 1k0s s ILE 81 N -2.81 -0.10 0.16 6.45 1.01 -0.01 0.26 121.20 126.16 1k0s s ILE 81 Ca 0.51 0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.48 1k0s s ILE 81 Cb -0.10 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1k0s s ILE 81 CO 0.42 0.12 0.28 -0.63 0.00 0.00 0.00 174.94 175.13 1k0s s ILE 82 N 1.55 5.26 0.04 2.92 1.01 0.21 0.68 121.20 132.86 1k0s s ILE 82 Ca -0.04 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1k0s s ILE 82 Cb -0.12 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1k0s s ILE 82 CO -0.04 -0.11 -0.14 -0.69 0.00 0.00 0.00 174.94 173.96 1k0s s VAL 83 N -1.76 1.14 0.25 2.92 1.01 -0.85 -0.55 120.40 122.56 1k0s s VAL 83 Ca 0.34 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1k0s s VAL 83 Cb -0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1k0s s VAL 83 CO 0.28 0.02 0.27 0.00 0.00 0.00 0.00 175.10 175.67 1k0s n ALA 84 N 1.90 0.21 -3.74 5.51 0.00 0.24 -1.25 120.51 123.39 1k0s n ALA 84 Ca -0.18 -1.32 -0.16 0.00 0.00 0.00 0.00 53.44 51.77 1k0s n ALA 84 Cb 0.55 1.07 -0.16 0.00 0.00 0.00 0.00 19.45 20.90 1k0s n ALA 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1k0s s ARG 85 N -2.82 0.10 -0.19 0.00 1.70 -1.08 -0.23 118.95 116.43 1k0s s ARG 85 Ca 0.26 0.16 -0.04 0.00 -0.47 0.00 0.00 55.73 55.63 1k0s s ARG 85 Cb 0.01 -0.38 0.08 0.00 -0.57 0.00 0.00 34.95 34.09 1k0s s ARG 85 CO 0.18 -0.17 0.16 0.95 -1.08 0.00 0.00 175.30 175.35 1k0s s THR 86 N 1.16 -0.22 -1.41 4.99 -4.23 0.35 -4.85 115.64 111.43 1k0s s THR 86 Ca -0.08 -0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1k0s s THR 86 Cb -0.13 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1k0s s THR 86 CO -0.03 -0.25 0.39 1.17 -0.54 0.00 0.00 174.62 175.36 1k0s n LYS 87 N 5.30 -3.16 -2.23 3.99 3.00 -1.26 -0.37 118.16 123.43 1k0s n LYS 87 Ca -0.06 0.39 -0.08 0.00 -0.00 0.00 0.00 58.31 58.56 1k0s n LYS 87 Cb 0.49 -4.47 0.00 0.00 0.00 0.00 0.00 35.03 31.05 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 -2.98 -2.86 -3.91 3.14 8.00 -1.26 -5.02 116.55 111.66 1k0s n ASP 88 Ca -0.31 -0.03 -0.30 0.00 0.71 0.00 0.00 54.79 54.86 1k0s n ASP 88 Cb 0.69 -2.08 -0.16 0.00 -0.02 0.00 0.00 41.12 39.55 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k0s s VAL 89 N -2.46 1.39 -0.68 2.53 1.01 0.50 -5.06 120.40 117.62 1k0s s VAL 89 Ca 0.03 -1.14 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 1k0s s VAL 89 Cb -0.01 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.75 1k0s s VAL 89 CO 0.03 -0.13 0.97 -0.70 0.00 0.00 0.00 175.10 175.27 1k0s s GLU 90 N 1.46 3.15 0.31 2.72 2.12 -1.25 0.13 118.70 127.34 1k0s s GLU 90 Ca -0.05 -0.93 -0.10 0.00 0.36 0.00 0.00 54.97 54.25 1k0s s GLU 90 Cb -0.19 -4.30 -0.07 0.00 0.26 0.00 0.00 34.13 29.84 1k0s s GLU 90 CO -0.07 -1.81 0.65 0.08 -0.54 0.00 0.00 175.26 173.58 1k0s s VAL 91 N 3.92 4.85 0.18 3.70 1.01 0.67 -3.72 120.40 131.01 1k0s s VAL 91 Ca 0.23 0.54 0.11 0.00 0.00 0.00 0.00 61.98 62.86 1k0s s VAL 91 Cb -0.16 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1k0s s VAL 91 CO 0.08 -0.27 -0.23 -0.83 0.00 0.00 0.00 175.10 173.86 1k0s s GLY 92 N -2.70 1.69 -0.08 4.51 0.00 -0.50 0.83 107.32 111.06 1k0s s GLY 92 Ca 0.49 -1.58 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 1k0s s GLY 92 CO 0.25 -1.59 0.17 -0.12 0.00 0.00 0.00 173.10 171.80 1k0s s PHE 93 N -1.54 -0.20 -0.17 1.90 5.36 0.29 -1.94 117.98 121.67 1k0s s PHE 93 Ca 0.20 0.60 -0.21 0.00 -0.96 0.00 0.00 56.93 56.55 1k0s s PHE 93 Cb -0.09 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.42 1k0s s PHE 93 CO 0.10 -0.23 0.64 -1.17 -1.46 0.00 0.00 175.22 173.10 1k0s s LEU 94 N 1.74 4.18 0.00 6.12 2.96 -0.75 0.65 118.68 133.57 1k0s s LEU 94 Ca -0.03 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 1k0s s LEU 94 Cb -0.12 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1k0s s LEU 94 CO -0.06 -0.24 0.09 1.33 -1.32 0.00 0.00 176.35 176.15 1k0s n VAL 95 N 4.51 0.00 0.00 1.68 0.24 0.14 -4.42 118.33 120.48 1k0s n VAL 95 Ca -0.01 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1k0s n VAL 95 Cb 0.50 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.90 0.00 -3.51 -1.34 2.03 -1.25 0.17 116.55 110.74 1k0s n ASP 96 Ca -0.01 0.25 -0.16 0.00 0.52 0.00 0.00 54.79 55.39 1k0s n ASP 96 Cb 0.32 -0.41 -0.12 0.00 -0.72 0.00 0.00 41.12 40.19 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 -0.82 0.21 -0.29 -0.67 3.52 -1.26 0.21 118.95 119.85 1k0s s ARG 97 Ca 0.00 0.39 -0.21 0.00 -0.13 0.00 0.00 55.73 55.78 1k0s s ARG 97 Cb 0.00 -0.80 -0.01 0.00 -1.56 0.00 0.00 34.95 32.58 1k0s s ARG 97 CO 0.00 -0.57 0.68 0.54 -0.81 0.00 0.00 175.30 175.14 1k0s s VAL 98 N 2.39 4.91 0.39 7.11 0.11 -1.26 -1.51 120.40 132.54 1k0s s VAL 98 Ca 0.07 1.05 0.15 0.00 -2.93 0.00 0.00 61.98 60.32 1k0s s VAL 98 Cb -0.15 -4.02 0.14 0.00 -1.53 0.00 0.00 36.38 30.83 1k0s s VAL 98 CO -0.12 -0.11 1.90 -0.07 -3.33 0.00 0.00 175.10 173.37 1k0s h LEU 99 N 9.15 0.00 0.00 2.54 -0.00 0.29 -3.47 115.31 123.82 1k0s h LEU 99 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 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 0.81 0.28 0.00 0.61 -0.00 0.00 0.00 178.44 180.15 1k0s n GLY 100 N -0.64 1.17 3.64 0.83 0.00 -0.26 -4.91 105.19 105.02 1k0s n GLY 100 Ca -0.02 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.57 1k0s n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k0s n VAL 101 N 0.00 1.37 -3.94 1.61 0.24 -1.25 0.14 118.33 116.51 1k0s n VAL 101 Ca 0.00 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 1k0s n VAL 101 Cb 0.00 -1.29 -0.14 0.00 -1.47 0.00 0.00 33.84 30.95 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1k0s s LEU 102 N 0.03 2.05 -1.28 1.34 2.96 0.34 -4.72 118.68 119.40 1k0s s LEU 102 Ca 0.64 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 54.34 1k0s s LEU 102 Cb -0.68 -0.03 0.16 0.00 0.50 0.00 0.00 46.19 46.14 1k0s s LEU 102 CO 0.55 -0.04 1.82 -2.11 -1.32 0.00 0.00 176.35 175.25 1k0s n ARG 103 N 2.77 3.54 -3.22 1.98 1.85 -1.26 -1.41 116.66 120.93 1k0s n ARG 103 Ca -0.14 -3.53 -0.39 0.00 -1.00 0.00 0.00 57.85 52.79 1k0s n ARG 103 Cb 0.59 -2.97 -0.06 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 0.75 4.83 0.47 8.89 -1.09 0.22 -4.85 121.20 130.43 1k0s s ILE 104 Ca 0.41 1.26 -0.03 0.00 -2.23 0.00 0.00 60.65 60.06 1k0s s ILE 104 Cb 0.08 -3.93 0.10 0.00 -1.58 0.00 0.00 42.46 37.13 1k0s s ILE 104 CO 0.00 0.46 0.65 0.35 -1.23 0.00 0.00 174.94 175.17 1k0s n THR 105 N 2.36 0.00 -3.21 2.92 -2.24 -1.26 0.15 114.28 113.00 1k0s n THR 105 Ca -0.08 -0.83 -0.22 0.00 -2.27 0.00 0.00 64.05 60.66 1k0s n THR 105 Cb 0.51 -1.27 -0.07 0.00 -2.10 0.00 0.00 70.33 67.40 1k0s n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k0s n GLU 106 N -2.26 0.38 -0.65 -0.78 2.13 -1.06 -4.66 120.64 113.74 1k0s n GLU 106 Ca 0.10 -2.92 0.04 0.00 0.66 0.00 0.00 57.16 55.04 1k0s n GLU 106 Cb 0.35 -1.53 0.27 0.00 0.27 0.00 0.00 31.44 30.80 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 2.49 4.03 -2.72 4.31 4.13 -1.26 -3.93 115.26 122.31 1k0s n ASN 107 Ca 0.25 -3.16 -0.08 0.00 1.68 0.00 0.00 54.58 53.27 1k0s n ASN 107 Cb 0.51 -0.61 0.09 0.00 -1.54 0.00 0.00 39.78 38.24 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k0s n GLN 108 N -0.44 0.86 -1.10 3.52 10.64 -1.26 -4.95 117.38 124.65 1k0s n GLN 108 Ca 0.27 -1.69 -0.03 0.00 -1.83 0.00 0.00 57.00 53.72 1k0s n GLN 108 Cb 1.03 -0.83 -0.01 0.00 -0.86 0.00 0.00 30.24 29.57 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 0.34 -0.63 -4.58 2.61 4.77 -1.26 -4.85 117.00 113.41 1k0s n LEU 109 Ca 0.03 -1.39 -0.35 0.00 -0.03 0.00 0.00 56.01 54.27 1k0s n LEU 109 Cb 0.72 0.11 0.10 0.00 -2.33 0.00 0.00 43.42 42.02 1k0s n LEU 109 CO 0.01 1.15 0.41 -0.67 -1.33 0.00 0.00 177.39 176.95 1k0s n ASP 110 N -0.21 -0.13 -0.30 -1.43 2.03 -1.26 -4.73 116.55 110.53 1k0s n ASP 110 Ca -0.15 0.57 0.05 0.00 0.52 0.00 0.00 54.79 55.78 1k0s n ASP 110 Cb 0.55 -1.37 0.14 0.00 -0.72 0.00 0.00 41.12 39.73 1k0s n ASP 110 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1k0s h LEU 111 N -0.72 -0.66 -0.50 -2.67 5.85 -1.96 0.94 115.31 115.58 1k0s h LEU 111 Ca -0.46 0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.35 1k0s h LEU 111 Cb 1.32 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 1k0s h LEU 111 CO 0.43 -0.27 -0.74 0.00 -0.34 0.00 0.00 178.44 177.53 1k0s h THR 112 N 0.02 1.47 -4.25 1.05 1.03 -1.98 -3.49 112.91 106.76 1k0s h THR 112 Ca 0.44 -2.38 0.00 0.00 -0.01 0.00 0.00 66.41 64.46 1k0s h THR 112 Cb 0.73 2.28 0.00 0.00 -1.07 0.00 0.00 68.15 70.09 1k0s h THR 112 CO -0.84 0.69 -0.95 -3.20 -0.01 0.00 0.00 175.52 171.21 1k0s n ASN 113 N -3.73 -9.00 -3.27 0.00 2.85 0.32 -5.04 115.26 97.40 1k0s n ASN 113 Ca -0.02 1.36 -0.06 0.00 -0.11 0.00 0.00 54.58 55.75 1k0s n ASN 113 Cb 0.71 -5.02 -0.03 0.00 1.24 0.00 0.00 39.78 36.68 1k0s n ASN 113 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1k0s s VAL 114 N -0.84 -0.74 0.00 3.44 1.01 -1.26 -4.96 120.40 117.04 1k0s s VAL 114 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1k0s s VAL 114 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1k0s s VAL 114 CO 0.00 -0.22 0.00 -1.54 0.00 0.00 0.00 175.10 173.34 1k0s n SER 115 N 4.34 0.00 0.05 3.32 3.41 -1.26 -5.03 113.62 118.45 1k0s n SER 115 Ca 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1k0s n SER 115 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1k0s n SER 115 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1k0s h ASP 116 N 0.00 -0.14 0.00 4.04 1.82 -1.95 -3.46 116.42 116.73 1k0s h ASP 116 Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 1k0s h ASP 116 Cb 0.00 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1k0s h ASP 116 CO 0.00 0.29 0.00 0.29 -1.61 0.00 0.00 179.24 178.21 1k0s n LYS 117 N -4.97 0.00 -0.01 0.28 4.76 -1.26 -3.68 118.16 113.28 1k0s n LYS 117 Ca -0.09 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.35 1k0s n LYS 117 Cb 0.24 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.43 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1k0s n PHE 118 N 0.00 0.00 0.00 2.13 -0.00 -1.26 -4.90 117.46 113.42 1k0s n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1k0s n PHE 118 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 39.48 39.44 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 1.81 -0.56 2.37 7.13 0.00 -1.24 -4.98 105.19 109.71 1k0s n GLY 119 Ca -0.01 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 3.78 0.00 1.61 3.00 -1.26 -3.79 118.16 121.50 1k0s n LYS 120 Ca 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 1k0s n LYS 120 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.44 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1k0s n LYS 121 N 2.45 0.00 0.00 1.64 3.00 -1.26 -5.06 118.16 118.93 1k0s n LYS 121 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 1k0s n LYS 121 Cb 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 35.23 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 -1.50 1.17 0.00 3.14 3.41 -1.25 -1.62 113.62 116.97 1k0s n SER 122 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1k0s n SER 122 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1k0s n SER 122 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k0s n LYS 123 N 0.00 0.00 -2.89 4.33 4.76 -1.26 -4.61 118.16 118.49 1k0s n LYS 123 Ca 0.00 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.07 1k0s n LYS 123 Cb 0.00 -0.07 -0.06 0.00 -1.84 0.00 0.00 35.03 33.06 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k0s s GLY 124 N -1.09 2.74 -0.45 0.72 0.00 0.11 -4.35 107.32 105.01 1k0s s GLY 124 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 44.72 45.17 1k0s s GLY 124 CO 0.00 0.82 0.74 -2.27 0.00 0.00 0.00 173.10 172.39 1k0s s LEU 125 N -2.02 -1.31 0.47 0.66 1.98 -1.25 -1.59 118.68 115.62 1k0s s LEU 125 Ca 0.48 -1.14 -0.04 0.00 -2.89 0.00 0.00 54.13 50.54 1k0s s LEU 125 Cb -0.18 1.70 -0.03 0.00 0.66 0.00 0.00 46.19 48.35 1k0s s LEU 125 CO 0.23 -0.09 0.75 0.54 -1.89 0.00 0.00 176.35 175.89 1k0s s VAL 126 N 1.34 4.72 -0.18 1.68 0.11 0.18 -4.89 120.40 123.37 1k0s s VAL 126 Ca 0.23 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.18 1k0s s VAL 126 Cb -0.00 -3.78 0.06 0.00 -1.53 0.00 0.00 36.38 31.12 1k0s s VAL 126 CO -0.07 -0.72 0.44 -0.54 -3.33 0.00 0.00 175.10 170.88 1k0s s LYS 127 N -4.69 0.44 -0.14 1.54 1.02 -1.26 0.37 119.74 117.02 1k0s s LYS 127 Ca 0.47 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1k0s s LYS 127 Cb -0.10 0.05 0.13 0.00 -0.52 0.00 0.00 37.83 37.38 1k0s s LYS 127 CO 0.43 -0.14 1.00 0.99 -0.92 0.00 0.00 175.35 176.71 1k0s s THR 128 N 1.14 0.00 -1.29 2.17 2.01 -0.33 -4.97 115.64 114.37 1k0s s THR 128 Ca -0.07 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 1k0s s THR 128 Cb -0.07 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.45 1k0s s THR 128 CO -0.10 0.00 0.89 0.47 -0.69 0.00 0.00 174.62 175.19 1k0s n ASP 129 N 0.53 -2.41 -2.61 3.53 9.92 -1.26 -1.44 116.55 122.81 1k0s n ASP 129 Ca -0.09 -0.71 -0.12 0.00 -0.53 0.00 0.00 54.79 53.34 1k0s n ASP 129 Cb 0.59 -4.55 -0.00 0.00 -0.64 0.00 0.00 41.12 36.51 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k0s n GLY 130 N -1.47 -0.50 2.88 0.44 0.00 -1.26 -4.92 105.19 100.37 1k0s n GLY 130 Ca -0.23 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.19 0.24 0.01 1.61 1.70 -0.52 -5.14 118.95 111.65 1k0s s ARG 131 Ca 0.07 -0.03 -0.20 0.00 -0.47 0.00 0.00 55.73 55.09 1k0s s ARG 131 Cb -0.04 -0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 33.99 1k0s s ARG 131 CO 0.08 -0.01 0.59 -0.51 -1.08 0.00 0.00 175.30 174.37 1k0s s LEU 132 N 0.32 4.43 -0.06 -1.89 2.01 -1.26 -1.18 118.68 121.05 1k0s s LEU 132 Ca -0.03 1.17 0.03 0.00 0.01 0.00 0.00 54.13 55.31 1k0s s LEU 132 Cb -0.06 -2.92 0.01 0.00 0.01 0.00 0.00 46.19 43.23 1k0s s LEU 132 CO -0.01 0.12 -0.13 -0.63 1.01 0.00 0.00 176.35 176.72 1k0s s ILE 133 N -0.30 1.13 0.08 -0.59 1.01 0.16 -1.21 121.20 121.48 1k0s s ILE 133 Ca 0.31 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 1k0s s ILE 133 Cb -0.18 -1.02 -0.07 0.00 0.01 0.00 0.00 42.46 41.20 1k0s s ILE 133 CO 0.17 0.35 0.59 -0.63 0.00 0.00 0.00 174.94 175.42 1k0s s ILE 134 N 0.51 4.71 0.00 2.92 1.09 -0.17 0.52 121.20 130.78 1k0s s ILE 134 Ca -0.12 1.25 0.05 0.00 -1.10 0.00 0.00 60.65 60.73 1k0s s ILE 134 Cb -0.14 -3.91 -0.01 0.00 -1.06 0.00 0.00 42.46 37.33 1k0s s ILE 134 CO 0.03 0.55 -0.15 -0.47 -0.10 0.00 0.00 174.94 174.80 1k0s s TYR 135 N -1.12 1.33 0.27 3.97 5.04 -0.62 0.51 117.35 126.73 1k0s s TYR 135 Ca 0.30 -0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 1k0s s TYR 135 Cb -0.20 -0.84 -0.04 0.00 0.35 0.00 0.00 41.96 41.23 1k0s s TYR 135 CO 0.20 -0.00 0.14 -0.51 -1.34 0.00 0.00 175.55 174.03 1k0s s LEU 136 N -0.56 1.56 -0.03 6.97 1.02 -0.65 0.10 118.68 127.09 1k0s s LEU 136 Ca 0.05 -1.48 0.14 0.00 0.02 0.00 0.00 54.13 52.85 1k0s s LEU 136 Cb -0.06 0.20 0.24 0.00 0.02 0.00 0.00 46.19 46.59 1k0s s LEU 136 CO -0.00 -0.84 1.10 -0.67 0.02 0.00 0.00 176.35 175.96 1k0s n ASP 137 N -0.69 0.78 -0.86 2.29 -0.08 -1.26 -2.23 116.55 114.50 1k0s n ASP 137 Ca 0.01 -2.27 -0.02 0.00 -1.51 0.00 0.00 54.79 51.00 1k0s n ASP 137 Cb 0.65 -0.29 -0.01 0.00 2.34 0.00 0.00 41.12 43.81 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 -0.02 0.00 -0.04 5.18 3.06 -1.26 -4.76 119.36 121.51 1k0s n ILE 138 Ca 0.06 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.30 1k0s n ILE 138 Cb 0.88 -0.23 -0.00 0.00 0.54 0.00 0.00 39.64 40.82 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 0.62 9.51 3.58 -1.94 -2.59 116.42 125.61 1k0s h ASP 139 Ca -0.04 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.25 1k0s h ASP 139 Cb 0.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1k0s h ASP 139 CO 0.07 0.39 -0.71 0.50 -2.88 0.00 0.00 179.24 176.61 1k0s h LYS 140 N -0.70 0.07 -0.11 0.28 1.63 -1.86 -2.56 116.57 113.32 1k0s h LYS 140 Ca 0.00 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 1k0s h LYS 140 Cb 0.08 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1k0s h LYS 140 CO 0.00 0.75 -0.08 0.97 -3.45 0.00 0.00 179.45 177.63 1k0s h ILE 141 N 0.05 1.35 -0.25 2.00 -0.00 -1.49 -2.30 117.51 116.85 1k0s h ILE 141 Ca -0.01 -1.20 -0.00 0.00 -0.00 0.00 0.00 64.86 63.65 1k0s h ILE 141 Cb 1.25 1.91 -0.01 0.00 -0.00 0.00 0.00 36.82 39.97 1k0s h ILE 141 CO 0.10 0.34 0.16 -0.29 -0.00 0.00 0.00 178.15 178.45 1k0s h ILE 142 N -0.14 1.09 -0.84 2.19 6.09 -1.47 0.34 117.51 124.77 1k0s h ILE 142 Ca 0.02 -0.21 0.19 0.00 -1.37 0.00 0.00 64.86 63.49 1k0s h ILE 142 Cb 0.58 0.77 -0.11 0.00 0.47 0.00 0.00 36.82 38.53 1k0s h ILE 142 CO 0.02 0.09 0.34 -0.33 -3.07 0.00 0.00 178.15 175.20 1k0s h GLU 143 N 0.32 0.39 -0.10 2.19 4.39 -1.45 0.42 114.58 120.74 1k0s h GLU 143 Ca 0.09 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 1k0s h GLU 143 Cb 0.01 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1k0s h GLU 143 CO -0.02 0.26 -0.66 0.93 -1.16 0.00 0.00 179.01 178.36 1k0s h GLU 144 N 0.40 0.40 -0.75 2.33 4.39 -0.78 -2.12 114.58 118.46 1k0s h GLU 144 Ca 0.50 -0.30 0.17 0.00 0.34 0.00 0.00 59.36 60.07 1k0s h GLU 144 Cb 0.88 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.46 1k0s h GLU 144 CO -0.49 0.92 0.12 0.82 -1.16 0.00 0.00 179.01 179.22 1k0s h ILE 145 N 0.29 0.43 0.00 3.13 2.04 0.39 0.44 117.51 124.23 1k0s h ILE 145 Ca -0.02 -0.07 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1k0s h ILE 145 Cb 1.21 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1k0s h ILE 145 CO 0.11 0.04 -0.77 0.71 0.00 0.00 0.00 178.15 178.24 1k0s h THR 146 N 0.20 1.16 -0.08 -0.27 1.35 -1.46 -3.37 112.91 110.44 1k0s h THR 146 Ca 0.42 -2.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1k0s h THR 146 Cb 0.75 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1k0s h THR 146 CO -0.58 0.39 0.00 0.55 -0.25 0.00 0.00 175.52 175.64 1k0s n VAL 147 N -4.51 0.18 0.48 6.82 3.14 -0.80 -4.31 118.33 119.33 1k0s n VAL 147 Ca -0.23 -0.13 -0.20 0.00 -2.96 0.00 0.00 64.34 60.81 1k0s n VAL 147 Cb 0.58 -0.10 -0.10 0.00 -1.06 0.00 0.00 33.84 33.16 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 0.50 -1.24 -1.96 1.45 3.64 -0.28 -2.97 116.57 115.72 1k0s h LYS 148 Ca 0.00 0.08 -0.46 0.00 -1.27 0.00 0.00 60.65 59.00 1k0s h LYS 148 Cb 0.29 0.28 -0.17 0.00 -0.41 0.00 0.00 32.23 32.22 1k0s h LYS 148 CO 0.02 -0.82 0.33 0.39 -2.27 0.00 0.00 179.45 177.10 1k0s n GLU 149 N -5.65 2.32 -2.14 1.90 1.02 -1.26 -4.06 120.64 112.76 1k0s n GLU 149 Ca -0.16 -2.18 -0.02 0.00 -0.02 0.00 0.00 57.16 54.78 1k0s n GLU 149 Cb 0.52 -2.09 0.02 0.00 -0.02 0.00 0.00 31.44 29.87 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 0.96 -0.39 0.00 0.62 0.00 -1.13 -5.03 105.19 100.22 1k0s n GLY 150 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70