#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 0.77 0.00 2.12 2.10 -2.05 -3.45 116.57 116.05 1k0s h LYS 2 Ca 0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1k0s h LYS 2 Cb 0.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1k0s h LYS 2 CO 0.00 0.72 0.00 0.25 -2.00 0.00 0.00 179.45 178.42 1k0s n THR 3 N -4.51 0.00 -0.23 0.07 -2.24 -1.26 -4.30 114.28 101.82 1k0s n THR 3 Ca 0.01 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1k0s n THR 3 Cb 0.19 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 68.78 1k0s n THR 3 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1k0s h LEU 4 N 0.00 0.67 -1.05 3.22 8.10 -2.08 -3.48 115.31 120.69 1k0s h LEU 4 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1k0s h LEU 4 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.10 1k0s h LEU 4 CO 0.00 0.39 -0.88 0.00 -4.11 0.00 0.00 178.44 173.84 1k0s n ALA 5 N -2.44 -2.03 -3.65 0.17 0.00 -1.26 -5.09 120.51 106.20 1k0s n ALA 5 Ca 0.14 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.99 1k0s n ALA 5 Cb 0.34 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1k0s n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k0s s ASP 6 N -2.63 -0.05 0.47 0.00 -1.08 -1.26 -5.15 116.67 106.96 1k0s s ASP 6 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 1k0s s ASP 6 Cb 0.00 0.10 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 1k0s s ASP 6 CO 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 175.17 175.67 1k0s n ALA 7 N 1.54 -1.82 -2.73 3.66 0.00 -1.26 -4.97 120.51 114.93 1k0s n ALA 7 Ca -0.10 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 1k0s n ALA 7 Cb 0.57 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.49 0.31 -0.06 0.00 4.77 -1.26 -4.96 117.00 114.32 1k0s n LEU 8 Ca 0.00 -3.34 -0.04 0.00 -0.03 0.00 0.00 56.01 52.60 1k0s n LEU 8 Cb 0.15 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1k0s n LEU 8 CO 0.00 1.48 0.00 0.50 -1.33 0.00 0.00 177.39 178.04 1k0s h LYS 9 N 2.30 0.00 -6.23 3.23 3.11 -1.93 -3.38 116.57 113.66 1k0s h LYS 9 Ca -0.21 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.15 1k0s h LYS 9 Cb 1.25 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.46 1k0s h LYS 9 CO 0.16 0.22 -0.42 -1.21 -2.81 0.00 0.00 179.45 175.39 1k0s s GLU 10 N -1.80 2.91 -0.27 1.90 8.01 -1.26 -1.13 118.70 127.06 1k0s s GLU 10 Ca -0.07 -1.15 -0.25 0.00 0.01 0.00 0.00 54.97 53.51 1k0s s GLU 10 Cb -0.00 -2.62 0.08 0.00 -4.31 0.00 0.00 34.13 27.28 1k0s s GLU 10 CO 0.18 0.14 0.77 0.12 0.01 0.00 0.00 175.26 176.48 1k0s s PHE 11 N -2.23 -0.73 0.09 1.61 5.36 0.28 -4.66 117.98 117.70 1k0s s PHE 11 Ca 0.41 1.79 -0.20 0.00 -0.96 0.00 0.00 56.93 57.97 1k0s s PHE 11 Cb -0.07 0.29 -0.07 0.00 -0.34 0.00 0.00 43.02 42.83 1k0s s PHE 11 CO 0.28 -0.36 0.59 -1.21 -1.46 0.00 0.00 175.22 173.07 1k0s s GLU 12 N 0.34 4.22 0.24 10.12 2.02 -1.26 0.44 118.70 134.82 1k0s s GLU 12 Ca 0.00 0.77 -0.17 0.00 0.02 0.00 0.00 54.97 55.59 1k0s s GLU 12 Cb -0.05 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1k0s s GLU 12 CO -0.00 0.61 0.58 0.54 0.02 0.00 0.00 175.26 177.01 1k0s s VAL 13 N -1.16 0.01 -0.02 2.63 0.11 -0.15 -4.32 120.40 117.51 1k0s s VAL 13 Ca 0.31 -1.06 -0.21 0.00 -2.93 0.00 0.00 61.98 58.09 1k0s s VAL 13 Cb -0.19 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.67 1k0s s VAL 13 CO 0.20 -0.04 0.59 -0.22 -3.33 0.00 0.00 175.10 172.31 1k0s s LEU 14 N -2.94 4.40 0.03 2.54 1.98 -0.74 0.13 118.68 124.08 1k0s s LEU 14 Ca 0.14 1.14 -0.05 0.00 -2.89 0.00 0.00 54.13 52.47 1k0s s LEU 14 Cb -0.03 -2.92 -0.01 0.00 0.66 0.00 0.00 46.19 43.90 1k0s s LEU 14 CO 0.04 0.08 0.07 -0.94 -1.89 0.00 0.00 176.35 173.72 1k0s s SER 15 N -0.05 0.17 0.21 3.68 1.04 0.86 -0.11 113.70 119.50 1k0s s SER 15 Ca 0.31 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 1k0s s SER 15 Cb -0.18 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 1k0s s SER 15 CO 0.17 -0.44 0.40 0.72 0.98 0.00 0.00 173.24 175.07 1k0s s PHE 16 N -2.15 0.34 0.06 5.02 -0.12 0.95 0.12 117.98 122.19 1k0s s PHE 16 Ca -0.09 -0.69 -0.20 0.00 -0.05 0.00 0.00 56.93 55.90 1k0s s PHE 16 Cb -0.04 0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.39 1k0s s PHE 16 CO -0.03 -0.87 0.60 -2.00 -0.05 0.00 0.00 175.22 172.87 1k0s s GLU 17 N -3.99 4.28 -0.35 1.99 2.56 0.09 -0.95 118.70 122.33 1k0s s GLU 17 Ca 0.19 0.79 -0.00 0.00 0.00 0.00 0.00 54.97 55.95 1k0s s GLU 17 Cb 0.01 -3.27 0.13 0.00 2.00 0.00 0.00 34.13 32.99 1k0s s GLU 17 CO 0.04 0.55 0.19 0.42 -0.56 0.00 0.00 175.26 175.90 1k0s s ILE 18 N -0.84 0.48 -1.17 -3.70 -1.09 0.22 -3.90 121.20 111.21 1k0s s ILE 18 Ca 0.30 -1.67 -0.27 0.00 -2.23 0.00 0.00 60.65 56.78 1k0s s ILE 18 Cb -0.20 -1.36 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 1k0s s ILE 18 CO 0.19 -0.88 0.75 0.47 -1.23 0.00 0.00 174.94 174.24 1k0s n ASP 19 N 4.27 -4.82 0.00 3.58 9.92 -1.26 -1.31 116.55 126.93 1k0s n ASP 19 Ca 0.06 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.17 1k0s n ASP 19 Cb 0.38 -2.60 0.00 0.00 -0.64 0.00 0.00 41.12 38.26 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 -4.57 0.00 -3.31 -1.24 1.02 -1.26 -4.84 120.64 106.44 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 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.94 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 3.89 0.45 3.49 -2.07 -0.43 -5.07 119.66 119.93 1k0s s GLN 21 Ca 0.00 0.44 -0.05 0.00 -1.82 0.00 0.00 55.36 53.94 1k0s s GLN 21 Cb 0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 33.01 29.29 1k0s s GLN 21 CO 0.00 0.27 0.74 0.00 -1.32 0.00 0.00 175.29 174.98 1k0s s ALA 22 N -1.85 3.45 -0.11 2.60 0.00 -1.17 0.70 121.76 125.38 1k0s s ALA 22 Ca 0.49 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1k0s s ALA 22 Cb -0.11 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1k0s s ALA 22 CO 0.20 -0.26 0.28 -1.17 0.00 0.00 0.00 175.76 174.81 1k0s s LEU 23 N -4.58 0.74 0.02 0.00 2.96 -0.12 0.54 118.68 118.24 1k0s s LEU 23 Ca 0.46 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1k0s s LEU 23 Cb -0.10 0.92 -0.02 0.00 0.50 0.00 0.00 46.19 47.50 1k0s s LEU 23 CO 0.42 -0.12 -0.06 0.00 -1.32 0.00 0.00 176.35 175.27 1k0s s ALA 24 N 0.50 0.43 -0.05 5.97 0.00 0.23 -0.04 121.76 128.80 1k0s s ALA 24 Ca -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1k0s s ALA 24 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1k0s s ALA 24 CO -0.03 -0.01 -0.23 -0.06 0.00 0.00 0.00 175.76 175.43 1k0s s PHE 25 N -0.99 2.25 -0.85 0.00 0.40 0.84 -1.78 117.98 117.85 1k0s s PHE 25 Ca -0.07 -0.64 -0.31 0.00 -0.60 0.00 0.00 56.93 55.31 1k0s s PHE 25 Cb -0.07 -1.48 -0.19 0.00 0.51 0.00 0.00 43.02 41.79 1k0s s PHE 25 CO 0.00 -0.19 2.60 -3.47 0.70 0.00 0.00 175.22 174.86 1k0s n ASP 26 N 2.93 0.77 0.15 1.36 2.03 -0.29 -1.79 116.55 121.71 1k0s n ASP 26 Ca -0.17 0.08 0.05 0.00 0.52 0.00 0.00 54.79 55.27 1k0s n ASP 26 Cb 0.52 -1.06 0.28 0.00 -0.72 0.00 0.00 41.12 40.15 1k0s n ASP 26 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1k0s n VAL 27 N 7.53 0.58 -0.13 5.18 3.14 -1.26 -0.85 118.33 132.51 1k0s n VAL 27 Ca 0.59 0.72 -0.10 0.00 -2.96 0.00 0.00 64.34 62.60 1k0s n VAL 27 Cb 0.13 -1.72 -0.01 0.00 -1.06 0.00 0.00 33.84 31.18 1k0s n VAL 27 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1k0s h ASP 28 N 0.00 0.58 0.19 6.55 5.19 -1.86 -3.22 116.42 123.85 1k0s h ASP 28 Ca 0.00 -0.23 -0.31 0.00 -0.62 0.00 0.00 57.03 55.87 1k0s h ASP 28 Cb 0.69 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.07 1k0s h ASP 28 CO 0.00 0.66 -1.46 -1.13 -3.12 0.00 0.00 179.24 174.19 1k0s h ASN 29 N 0.48 0.61 -2.44 6.45 -0.73 -1.33 -3.45 115.58 115.17 1k0s h ASN 29 Ca 0.12 -0.92 -0.53 0.00 1.87 0.00 0.00 56.30 56.84 1k0s h ASN 29 Cb 0.30 -0.20 0.03 0.00 0.27 0.00 0.00 38.32 38.73 1k0s h ASN 29 CO 0.00 1.67 1.15 -0.38 -0.37 0.00 0.00 177.43 179.51 1k0s n ILE 30 N -3.78 0.50 -0.04 2.57 2.08 -1.01 -2.79 119.36 116.88 1k0s n ILE 30 Ca -0.21 -0.09 -0.01 0.00 0.56 0.00 0.00 62.75 63.00 1k0s n ILE 30 Cb 1.01 -2.18 -0.00 0.00 -0.75 0.00 0.00 39.64 37.72 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 9.21 0.00 -1.95 0.38 4.39 -1.49 -3.45 114.58 121.67 1k0s h GLU 31 Ca -0.48 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.35 1k0s h GLU 31 Cb 1.23 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.70 1k0s h GLU 31 CO 0.95 0.00 0.56 -1.64 -1.16 0.00 0.00 179.01 177.72 1k0s s MET 32 N -1.55 0.67 0.03 2.33 -1.94 -1.23 -5.03 119.30 112.58 1k0s s MET 32 Ca -0.02 -0.15 -0.20 0.00 -1.71 0.00 0.00 55.69 53.61 1k0s s MET 32 Cb 0.00 0.31 -0.06 0.00 2.01 0.00 0.00 34.83 37.09 1k0s s MET 32 CO 0.03 -0.27 0.59 0.14 -0.01 0.00 0.00 175.02 175.50 1k0s s VAL 33 N -2.45 4.83 -0.05 -6.03 -7.23 -1.26 -0.97 120.40 107.24 1k0s s VAL 33 Ca 0.04 1.24 0.05 0.00 -1.81 0.00 0.00 61.98 61.50 1k0s s VAL 33 Cb -0.01 -3.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.00 1k0s s VAL 33 CO -0.05 0.48 -0.20 0.27 -0.31 0.00 0.00 175.10 175.28 1k0s s ILE 34 N -0.59 1.64 -0.28 -0.62 -4.36 0.15 -4.94 121.20 112.20 1k0s s ILE 34 Ca 0.30 -0.84 -0.21 0.00 -0.26 0.00 0.00 60.65 59.64 1k0s s ILE 34 Cb -0.19 -1.40 -0.01 0.00 1.25 0.00 0.00 42.46 42.11 1k0s s ILE 34 CO 0.18 0.47 0.67 -1.61 0.24 0.00 0.00 174.94 174.89 1k0s s GLU 35 N -0.05 4.03 0.03 0.37 2.02 -1.26 -0.85 118.70 122.99 1k0s s GLU 35 Ca -0.03 0.51 -0.28 0.00 0.02 0.00 0.00 54.97 55.18 1k0s s GLU 35 Cb -0.12 -3.69 0.09 0.00 0.10 0.00 0.00 34.13 30.52 1k0s s GLU 35 CO 0.03 -0.51 1.01 0.21 0.02 0.00 0.00 175.26 176.01 1k0s s LYS 36 N 2.64 0.84 0.04 1.61 2.20 -1.26 -4.97 119.74 120.84 1k0s s LYS 36 Ca 0.28 -0.40 -0.21 0.00 -0.36 0.00 0.00 55.97 55.27 1k0s s LYS 36 Cb -0.15 0.33 0.05 0.00 -1.51 0.00 0.00 37.83 36.54 1k0s s LYS 36 CO 0.10 -0.38 0.49 0.45 -0.36 0.00 0.00 175.35 175.65 1k0s s SER 37 N -2.69 -0.39 -1.38 1.43 0.15 -1.26 -4.61 113.70 104.94 1k0s s SER 37 Ca 0.10 0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.82 1k0s s SER 37 Cb -0.00 0.47 0.03 0.00 -1.71 0.00 0.00 66.02 64.81 1k0s s SER 37 CO -0.03 -0.70 0.82 -0.67 1.20 0.00 0.00 173.24 173.86 1k0s n ASP 38 N 0.45 -2.61 -4.75 5.45 2.03 -1.26 -4.92 116.55 110.94 1k0s n ASP 38 Ca -0.18 -0.79 -0.41 0.00 0.52 0.00 0.00 54.79 53.93 1k0s n ASP 38 Cb 0.60 -4.07 -0.03 0.00 -0.72 0.00 0.00 41.12 36.90 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 -3.53 3.16 -0.46 5.18 1.01 -1.26 -4.22 121.20 121.08 1k0s s ILE 39 Ca 0.25 1.06 -0.33 0.00 0.00 0.00 0.00 60.65 61.63 1k0s s ILE 39 Cb -0.12 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.72 1k0s s ILE 39 CO 0.81 0.21 0.61 0.41 0.00 0.00 0.00 174.94 176.98 1k0s n THR 40 N 1.74 -3.47 -0.09 2.92 -1.04 -1.25 -3.76 114.28 109.33 1k0s n THR 40 Ca 0.02 0.06 -0.19 0.00 -2.04 0.00 0.00 64.05 61.91 1k0s n THR 40 Cb 0.43 -3.17 -0.12 0.00 -1.82 0.00 0.00 70.33 65.66 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 1.69 0.00 -0.06 -2.82 0.13 -1.86 -3.40 132.00 125.69 1k0s h PRO 41 Ca -0.54 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.41 1k0s h PRO 41 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1k0s h PRO 41 CO 0.23 0.98 -0.72 -0.39 -0.23 0.00 0.00 178.00 177.87 1k0s h VAL 42 N -1.00 1.40 0.00 1.56 -1.51 -1.95 -3.19 116.25 111.56 1k0s h VAL 42 Ca -0.21 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.08 1k0s h VAL 42 Cb 1.17 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.47 1k0s h VAL 42 CO -0.13 0.65 0.00 -2.65 -1.23 0.00 0.00 177.57 174.21 1k0s n PRO 43 N -3.82 0.54 -0.92 5.19 -0.02 -1.26 -4.88 135.00 129.83 1k0s n PRO 43 Ca -0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 1k0s n PRO 43 Cb 0.70 -1.01 0.08 0.00 -0.02 0.00 0.00 33.50 33.24 1k0s n PRO 43 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1k0s n LYS 44 N -0.46 -0.13 0.02 -0.52 4.81 -1.21 -4.85 118.16 115.83 1k0s n LYS 44 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1k0s n LYS 44 Cb 0.01 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.61 1k0s n LYS 44 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1k0s n SER 45 N 1.00 -0.38 0.00 3.14 3.41 -1.26 -5.11 113.62 114.41 1k0s n SER 45 Ca 0.03 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1k0s n SER 45 Cb 0.54 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.06 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k0s n ARG 46 N -2.46 0.00 0.00 4.33 5.12 -1.26 -5.08 116.66 117.31 1k0s n ARG 46 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1k0s n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1k0s n ARG 46 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1k0s n HIS 47 N 0.00 -1.33 0.11 -1.55 -0.00 -1.26 -4.98 115.22 106.21 1k0s n HIS 47 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1k0s n HIS 47 Cb 0.00 0.27 -0.08 0.00 -0.00 0.00 0.00 29.99 30.17 1k0s n HIS 47 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 1k0s h PHE 48 N 0.00 -0.24 -2.09 1.57 -1.00 -1.98 -3.41 116.94 109.80 1k0s h PHE 48 Ca 0.00 -0.01 -0.55 0.00 2.81 0.00 0.00 57.97 60.22 1k0s h PHE 48 Cb 0.00 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1k0s h PHE 48 CO 0.00 0.05 1.46 0.08 -1.61 0.00 0.00 178.31 178.29 1k0s s VAL 49 N -5.06 3.16 0.33 -0.55 1.01 -1.26 -4.40 120.40 113.63 1k0s s VAL 49 Ca -0.15 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.09 1k0s s VAL 49 Cb 0.03 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1k0s s VAL 49 CO 0.61 -0.18 1.75 1.05 0.00 0.00 0.00 175.10 178.33 1k0s h GLU 50 N 15.42 0.05 0.00 2.72 4.11 -1.20 -3.47 114.58 132.21 1k0s h GLU 50 Ca -0.34 -0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.14 1k0s h GLU 50 Cb 1.22 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1k0s h GLU 50 CO 1.04 0.48 0.32 0.41 0.07 0.00 0.00 179.01 181.32 1k0s n GLY 51 N -0.25 0.98 3.85 1.06 0.00 -0.96 -4.66 105.19 105.22 1k0s n GLY 51 Ca -0.02 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.30 0.00 -0.24 1.61 -7.23 -1.26 -0.06 120.40 110.91 1k0s s VAL 52 Ca 0.13 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 59.11 1k0s s VAL 52 Cb -0.02 -2.08 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1k0s s VAL 52 CO 0.04 0.00 0.64 0.27 -0.31 0.00 0.00 175.10 175.74 1k0s s ILE 53 N -3.74 -0.00 0.02 -0.62 -4.36 -0.76 -3.80 121.20 107.95 1k0s s ILE 53 Ca 0.12 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.31 1k0s s ILE 53 Cb -0.06 -0.89 -0.06 0.00 1.25 0.00 0.00 42.46 42.70 1k0s s ILE 53 CO 0.07 0.00 0.59 0.21 0.24 0.00 0.00 174.94 176.06 1k0s s ASN 54 N 0.59 7.01 -0.27 4.36 2.47 -1.26 -1.06 114.94 126.77 1k0s s ASN 54 Ca -0.02 1.20 -0.25 0.00 0.42 0.00 0.00 52.86 54.21 1k0s s ASN 54 Cb -0.05 -2.37 0.13 0.00 -1.45 0.00 0.00 41.25 37.52 1k0s s ASN 54 CO -0.03 0.15 1.07 -0.22 -3.72 0.00 0.00 177.10 174.35 1k0s s LEU 55 N -0.45 -0.40 -1.50 3.21 2.96 -0.67 -4.96 118.68 116.86 1k0s s LEU 55 Ca 0.31 0.76 -0.07 0.00 -0.22 0.00 0.00 54.13 54.91 1k0s s LEU 55 Cb -0.19 1.80 0.05 0.00 0.50 0.00 0.00 46.19 48.36 1k0s s LEU 55 CO 0.18 -0.15 0.60 -1.14 -1.32 0.00 0.00 176.35 174.51 1k0s n ARG 56 N 2.04 -3.58 -3.79 1.98 0.63 -1.26 -0.83 116.66 111.84 1k0s n ARG 56 Ca -0.12 0.43 -0.27 0.00 -0.92 0.00 0.00 57.85 56.97 1k0s n ARG 56 Cb 0.56 -4.82 0.04 0.00 0.45 0.00 0.00 32.46 28.69 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 -1.77 -0.48 3.56 5.14 0.00 -1.26 -4.97 105.19 105.41 1k0s n GLY 57 Ca -0.16 0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1k0s n GLY 57 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 58 N -6.41 0.42 -0.05 1.61 1.70 -0.01 -5.16 118.95 111.05 1k0s s ARG 58 Ca 0.53 0.87 -0.17 0.00 -0.47 0.00 0.00 55.73 56.49 1k0s s ARG 58 Cb -0.26 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.39 1k0s s ARG 58 CO 0.80 -0.11 0.47 0.42 -1.08 0.00 0.00 175.30 175.80 1k0s s ILE 59 N 1.98 5.06 -0.11 4.99 1.09 -1.26 -1.68 121.20 131.27 1k0s s ILE 59 Ca -0.06 0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 60.44 1k0s s ILE 59 Cb -0.06 -3.80 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1k0s s ILE 59 CO -0.17 0.45 -0.04 0.27 -0.10 0.00 0.00 174.94 175.35 1k0s s ILE 60 N -0.23 3.90 -0.20 2.92 -5.25 -0.22 -4.90 121.20 117.21 1k0s s ILE 60 Ca 0.26 -0.39 -0.17 0.00 -0.99 0.00 0.00 60.65 59.36 1k0s s ILE 60 Cb -0.16 -2.65 -0.03 0.00 2.95 0.00 0.00 42.46 42.56 1k0s s ILE 60 CO 0.13 0.56 0.47 -2.16 -1.79 0.00 0.00 174.94 172.14 1k0s s PRO 61 N -0.35 4.18 -0.22 0.37 0.04 -1.23 -1.83 135.00 135.96 1k0s s PRO 61 Ca 0.06 0.32 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 1k0s s PRO 61 Cb -0.12 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1k0s s PRO 61 CO 0.02 -0.11 0.11 0.14 0.04 0.00 0.00 177.00 177.19 1k0s s VAL 62 N 1.53 4.90 0.25 -0.36 -7.23 0.91 -1.46 120.40 118.95 1k0s s VAL 62 Ca 0.22 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.43 1k0s s VAL 62 Cb -0.15 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 1k0s s VAL 62 CO 0.09 0.38 0.09 0.52 -0.31 0.00 0.00 175.10 175.87 1k0s n VAL 63 N 4.21 0.00 -3.99 1.32 0.31 0.17 -0.79 118.33 119.55 1k0s n VAL 63 Ca -0.16 -1.47 -0.31 0.00 -0.01 0.00 0.00 64.34 62.39 1k0s n VAL 63 Cb 0.52 0.53 -0.15 0.00 -0.91 0.00 0.00 33.84 33.83 1k0s n VAL 63 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1k0s s ASN 64 N -2.55 4.61 0.47 4.52 -0.87 -1.26 -2.00 114.94 117.86 1k0s s ASN 64 Ca 0.13 -2.42 0.18 0.00 -1.57 0.00 0.00 52.86 49.18 1k0s s ASN 64 Cb 0.01 -1.62 1.17 0.00 -0.02 0.00 0.00 41.25 40.79 1k0s s ASN 64 CO 0.09 -0.33 2.00 0.25 -2.57 0.00 0.00 177.10 176.54 1k0s h LEU 65 N 7.27 0.21 -2.33 0.60 6.46 -1.87 0.58 115.31 126.23 1k0s h LEU 65 Ca -0.05 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1k0s h LEU 65 Cb 0.98 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1k0s h LEU 65 CO 0.57 0.13 -0.04 0.00 -0.62 0.00 0.00 178.44 178.48 1k0s h ALA 66 N 1.74 1.39 0.14 1.25 0.00 -1.89 0.55 119.26 122.44 1k0s h ALA 66 Ca 0.24 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.89 1k0s h ALA 66 Cb 0.63 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1k0s h ALA 66 CO -0.05 0.05 -1.07 -0.22 0.00 0.00 0.00 179.25 177.96 1k0s h LYS 67 N 0.00 0.29 -0.66 0.00 3.11 -0.10 1.56 116.57 120.77 1k0s h LYS 67 Ca -0.00 -0.50 -0.06 0.00 -2.81 0.00 0.00 60.65 57.28 1k0s h LYS 67 Cb 0.12 0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 1k0s h LYS 67 CO 0.01 1.24 0.16 0.97 -2.81 0.00 0.00 179.45 179.01 1k0s h ILE 68 N -0.32 1.26 0.03 2.00 2.10 -0.76 -3.12 117.51 118.69 1k0s h ILE 68 Ca -0.21 -0.94 -0.00 0.00 1.08 0.00 0.00 64.86 64.79 1k0s h ILE 68 Cb 1.71 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1k0s h ILE 68 CO 0.12 0.36 -0.02 0.25 -1.08 0.00 0.00 178.15 177.78 1k0s h LEU 69 N 0.98 -0.04 0.00 2.19 7.12 -0.02 -3.47 115.31 122.07 1k0s h LEU 69 Ca 0.21 -0.62 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1k0s h LEU 69 Cb 0.36 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1k0s h LEU 69 CO 0.00 0.73 0.00 0.61 -0.13 0.00 0.00 178.44 179.66 1k0s n GLY 70 N 1.35 2.48 0.43 3.75 0.00 0.53 -4.89 105.19 108.84 1k0s n GLY 70 Ca -0.07 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.27 -0.61 -5.35 -1.25 -3.83 119.36 108.05 1k0s n ILE 71 Ca 0.00 0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.58 1k0s n ILE 71 Cb 0.00 -0.15 0.33 0.00 -1.74 0.00 0.00 39.64 38.09 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 -0.44 0.73 -0.77 7.28 0.02 -1.89 -3.44 113.55 115.03 1k0s h SER 72 Ca 0.00 0.03 -0.36 0.00 -0.84 0.00 0.00 61.79 60.63 1k0s h SER 72 Cb 1.09 -0.12 0.08 0.00 0.14 0.00 0.00 62.40 63.58 1k0s h SER 72 CO 0.00 0.41 -0.43 0.33 -1.14 0.00 0.00 176.83 176.01 1k0s n PHE 73 N -4.54 -0.79 -2.56 3.45 7.35 -1.25 -4.92 117.46 114.20 1k0s n PHE 73 Ca 0.15 0.43 -0.01 0.00 -0.76 0.00 0.00 57.45 57.26 1k0s n PHE 73 Cb 0.36 -1.03 0.06 0.00 0.35 0.00 0.00 39.48 39.23 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 1.21 -0.74 -3.65 -2.13 -0.08 -1.26 -4.97 116.55 104.93 1k0s n ASP 74 Ca 0.08 -1.60 -0.27 0.00 -1.51 0.00 0.00 54.79 51.49 1k0s n ASP 74 Cb 0.19 0.34 0.04 0.00 2.34 0.00 0.00 41.12 44.03 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 -0.77 -6.15 -0.04 -0.67 1.02 -1.26 -4.93 120.64 107.84 1k0s n GLU 75 Ca -0.09 0.71 -0.02 0.00 -0.02 0.00 0.00 57.16 57.74 1k0s n GLU 75 Cb 0.69 -5.64 -0.01 0.00 -0.02 0.00 0.00 31.44 26.46 1k0s n GLU 75 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1k0s h GLN 76 N -2.14 0.00 -0.37 3.49 4.20 -1.96 -3.41 115.11 114.92 1k0s h GLN 76 Ca -0.56 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1k0s h GLN 76 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1k0s h GLN 76 CO 0.61 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 180.40 1k0s n LYS 77 N -3.73 3.20 -1.64 1.46 4.01 -1.26 -5.03 118.16 115.17 1k0s n LYS 77 Ca -0.03 -2.65 -0.44 0.00 -0.51 0.00 0.00 58.31 54.67 1k0s n LYS 77 Cb 0.12 -1.72 -0.02 0.00 -0.51 0.00 0.00 35.03 32.90 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 0.14 1.75 0.00 1.97 2.81 -1.26 -4.24 117.12 118.29 1k0s n MET 78 Ca 0.20 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.71 1k0s n MET 78 Cb 0.78 -2.14 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.05 0.00 -2.65 0.03 5.02 0.20 -4.84 118.16 116.97 1k0s n LYS 79 Ca 0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.12 1k0s n LYS 79 Cb 0.33 -0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.35 1k0s n LYS 79 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1k0s s SER 80 N -1.94 5.80 0.13 4.39 0.01 0.10 -4.35 113.70 117.85 1k0s s SER 80 Ca 0.00 0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.93 1k0s s SER 80 Cb 0.00 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1k0s s SER 80 CO 0.00 -0.84 -0.16 -0.63 0.41 0.00 0.00 173.24 172.02 1k0s s ILE 81 N -2.79 1.51 0.05 1.44 1.01 -0.03 0.70 121.20 123.08 1k0s s ILE 81 Ca 0.51 -1.74 0.06 0.00 0.00 0.00 0.00 60.65 59.47 1k0s s ILE 81 Cb -0.10 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1k0s s ILE 81 CO 0.42 -0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.23 1k0s s ILE 82 N -1.98 1.32 0.11 2.92 1.01 0.20 0.32 121.20 125.09 1k0s s ILE 82 Ca 0.10 -1.12 0.08 0.00 0.00 0.00 0.00 60.65 59.71 1k0s s ILE 82 Cb -0.06 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1k0s s ILE 82 CO 0.04 0.04 -0.13 -0.69 0.00 0.00 0.00 174.94 174.20 1k0s s VAL 83 N -0.89 3.18 -0.24 2.92 1.01 -0.14 0.04 120.40 126.28 1k0s s VAL 83 Ca 0.03 -1.35 -0.14 0.00 0.00 0.00 0.00 61.98 60.52 1k0s s VAL 83 Cb -0.08 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.89 1k0s s VAL 83 CO 0.02 0.11 0.59 0.00 0.00 0.00 0.00 175.10 175.81 1k0s s ALA 84 N -1.19 -1.57 -0.03 5.51 0.00 0.23 -1.36 121.76 123.35 1k0s s ALA 84 Ca 0.20 2.07 -0.21 0.00 0.00 0.00 0.00 51.96 54.03 1k0s s ALA 84 Cb -0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1k0s s ALA 84 CO 0.12 -0.33 0.60 -0.98 0.00 0.00 0.00 175.76 175.17 1k0s s ARG 85 N 1.48 4.35 -0.23 0.00 1.70 -1.12 0.12 118.95 125.24 1k0s s ARG 85 Ca -0.09 0.72 -0.03 0.00 -0.47 0.00 0.00 55.73 55.86 1k0s s ARG 85 Cb -0.06 -3.38 0.11 0.00 -0.57 0.00 0.00 34.95 31.05 1k0s s ARG 85 CO -0.16 0.27 0.29 0.95 -1.08 0.00 0.00 175.30 175.57 1k0s s THR 86 N 0.14 -0.44 -1.43 4.99 -4.23 0.28 -4.81 115.64 110.15 1k0s s THR 86 Ca 0.32 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1k0s s THR 86 Cb -0.18 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 72.91 1k0s s THR 86 CO 0.16 -0.21 0.42 1.17 -0.54 0.00 0.00 174.62 175.62 1k0s n LYS 87 N 5.33 -3.18 -2.50 3.99 3.00 -1.26 -0.19 118.16 123.35 1k0s n LYS 87 Ca -0.04 0.39 -0.11 0.00 -0.00 0.00 0.00 58.31 58.55 1k0s n LYS 87 Cb 0.49 -4.52 0.01 0.00 0.00 0.00 0.00 35.03 31.01 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 -2.96 -3.65 -3.77 3.14 9.92 -1.26 -5.02 116.55 112.96 1k0s n ASP 88 Ca -0.28 -0.10 -0.27 0.00 -0.53 0.00 0.00 54.79 53.60 1k0s n ASP 88 Cb 0.67 -2.65 -0.17 0.00 -0.64 0.00 0.00 41.12 38.33 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 -2.74 0.63 -0.87 2.53 1.01 0.73 -5.06 120.40 116.63 1k0s s VAL 89 Ca 0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1k0s s VAL 89 Cb -0.05 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.39 1k0s s VAL 89 CO 0.13 -0.12 1.11 -1.61 0.00 0.00 0.00 175.10 174.61 1k0s s GLU 90 N 1.82 3.48 0.42 2.72 2.02 -1.26 0.10 118.70 128.00 1k0s s GLU 90 Ca -0.00 -1.49 -0.06 0.00 0.02 0.00 0.00 54.97 53.44 1k0s s GLU 90 Cb -0.16 -4.78 -0.04 0.00 0.10 0.00 0.00 34.13 29.24 1k0s s GLU 90 CO -0.07 -1.81 0.72 0.08 0.02 0.00 0.00 175.26 174.19 1k0s s VAL 91 N 3.17 4.92 0.01 2.63 1.01 0.32 -3.55 120.40 128.93 1k0s s VAL 91 Ca 0.31 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1k0s s VAL 91 Cb -0.07 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1k0s s VAL 91 CO -0.05 -0.67 -0.04 -0.83 0.00 0.00 0.00 175.10 173.51 1k0s s GLY 92 N -3.77 0.23 -0.08 4.51 0.00 -0.53 0.74 107.32 108.43 1k0s s GLY 92 Ca 0.47 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.82 1k0s s GLY 92 CO 0.39 -0.38 -0.03 -0.12 0.00 0.00 0.00 173.10 172.95 1k0s s PHE 93 N -0.68 0.94 -0.05 1.90 5.36 0.11 0.42 117.98 125.99 1k0s s PHE 93 Ca -0.06 -0.35 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 1k0s s PHE 93 Cb -0.05 -0.91 -0.05 0.00 -0.34 0.00 0.00 43.02 41.67 1k0s s PHE 93 CO -0.00 -0.36 0.60 -1.17 -1.46 0.00 0.00 175.22 172.83 1k0s s LEU 94 N 1.67 4.36 0.00 6.12 0.20 -0.85 0.58 118.68 130.76 1k0s s LEU 94 Ca 0.02 1.10 0.02 0.00 0.69 0.00 0.00 54.13 55.95 1k0s s LEU 94 Cb -0.13 -2.92 -0.01 0.00 -0.43 0.00 0.00 46.19 42.70 1k0s s LEU 94 CO -0.05 0.02 0.08 1.33 -0.29 0.00 0.00 176.35 177.45 1k0s n VAL 95 N 3.21 0.00 0.00 1.68 0.24 0.22 -4.80 118.33 118.88 1k0s n VAL 95 Ca -0.05 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1k0s n VAL 95 Cb 0.51 0.49 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 -1.78 0.00 -3.72 -1.34 2.03 -1.25 0.62 116.55 111.11 1k0s n ASP 96 Ca -0.03 0.19 -0.28 0.00 0.52 0.00 0.00 54.79 55.19 1k0s n ASP 96 Cb 0.34 -0.20 -0.16 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.40 0.65 -0.31 -0.67 3.52 -1.26 -2.13 118.95 118.35 1k0s s ARG 97 Ca 0.00 -0.58 -0.21 0.00 -0.13 0.00 0.00 55.73 54.81 1k0s s ARG 97 Cb 0.00 -2.02 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 1k0s s ARG 97 CO 0.00 -0.74 0.69 0.54 -0.81 0.00 0.00 175.30 174.98 1k0s s VAL 98 N 1.82 4.88 0.31 7.11 0.11 -1.26 -0.73 120.40 132.63 1k0s s VAL 98 Ca 0.02 0.95 0.18 0.00 -2.93 0.00 0.00 61.98 60.19 1k0s s VAL 98 Cb -0.17 -4.06 0.14 0.00 -1.53 0.00 0.00 36.38 30.76 1k0s s VAL 98 CO -0.14 -0.20 1.84 -0.07 -3.33 0.00 0.00 175.10 173.20 1k0s h LEU 99 N 9.30 0.00 0.00 2.54 -0.00 0.58 -3.47 115.31 124.26 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 0.84 0.33 0.00 0.61 -0.00 0.00 0.00 178.44 180.22 1k0s n GLY 100 N -0.24 0.96 3.63 0.83 0.00 -0.18 -4.90 105.19 105.30 1k0s n GLY 100 Ca -0.01 -0.95 -0.47 0.00 0.00 0.00 0.00 46.02 44.58 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 0.63 -4.02 1.61 0.24 -1.25 -0.10 118.33 115.44 1k0s n VAL 101 Ca 0.00 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 62.00 1k0s n VAL 101 Cb 0.00 -1.23 -0.15 0.00 -1.47 0.00 0.00 33.84 31.00 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 0.45 1.87 -1.27 1.34 2.96 0.34 -4.77 118.68 119.60 1k0s s LEU 102 Ca 0.74 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.49 1k0s s LEU 102 Cb -0.75 -0.17 0.16 0.00 0.50 0.00 0.00 46.19 45.93 1k0s s LEU 102 CO 0.48 0.01 1.78 -2.11 -1.32 0.00 0.00 176.35 175.20 1k0s n ARG 103 N 3.19 3.52 -3.18 1.98 1.85 -1.26 -0.98 116.66 121.78 1k0s n ARG 103 Ca -0.15 -3.55 -0.39 0.00 -1.00 0.00 0.00 57.85 52.76 1k0s n ARG 103 Cb 0.58 -2.98 -0.05 0.00 -1.05 0.00 0.00 32.46 28.95 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 0.89 5.05 0.22 8.89 -1.09 0.17 -4.79 121.20 130.54 1k0s s ILE 104 Ca 0.41 1.22 -0.14 0.00 -2.23 0.00 0.00 60.65 59.91 1k0s s ILE 104 Cb 0.07 -3.93 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 1k0s s ILE 104 CO 0.00 0.33 0.62 0.42 -1.23 0.00 0.00 174.94 175.08 1k0s s THR 105 N 0.42 4.79 -0.48 2.92 -4.23 -1.26 0.98 115.64 118.79 1k0s s THR 105 Ca 0.32 0.83 0.04 0.00 -1.18 0.00 0.00 61.69 61.70 1k0s s THR 105 Cb -0.17 -3.70 0.16 0.00 1.34 0.00 0.00 72.50 70.14 1k0s s THR 105 CO 0.15 0.07 0.36 -0.70 -0.54 0.00 0.00 174.62 173.96 1k0s s GLU 106 N -2.40 1.27 0.00 3.99 2.12 -0.28 -4.84 118.70 118.55 1k0s s GLU 106 Ca 0.45 -2.32 0.24 0.00 0.36 0.00 0.00 54.97 53.70 1k0s s GLU 106 Cb -0.13 -1.95 1.25 0.00 0.26 0.00 0.00 34.13 33.56 1k0s s GLU 106 CO 0.20 -1.33 1.81 0.09 -0.54 0.00 0.00 175.26 175.49 1k0s n ASN 107 N 2.80 0.00 0.20 -1.70 5.03 -1.26 -3.48 115.26 116.85 1k0s n ASN 107 Ca 0.24 -0.12 -0.14 0.00 0.87 0.00 0.00 54.58 55.44 1k0s n ASN 107 Cb 0.43 -0.26 -0.08 0.00 -1.02 0.00 0.00 39.78 38.84 1k0s n ASN 107 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1k0s h GLN 108 N 0.00 -0.49 -6.84 3.52 4.20 -1.90 -3.44 115.11 110.17 1k0s h GLN 108 Ca 0.00 0.03 -0.48 0.00 0.06 0.00 0.00 58.65 58.27 1k0s h GLN 108 Cb 0.21 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1k0s h GLN 108 CO 0.00 -0.20 0.29 -0.48 -0.67 0.00 0.00 178.83 177.77 1k0s s LEU 109 N -9.68 4.29 0.05 1.46 0.05 -1.23 -3.03 118.68 110.59 1k0s s LEU 109 Ca -0.15 1.72 0.00 0.00 0.05 0.00 0.00 54.13 55.75 1k0s s LEU 109 Cb 0.03 -3.99 0.00 0.00 -2.05 0.00 0.00 46.19 40.17 1k0s s LEU 109 CO 0.57 -0.08 0.00 -0.67 -0.55 0.00 0.00 176.35 175.61 1k0s n ASP 110 N 0.43 -0.42 -0.06 1.48 2.03 -1.26 -4.87 116.55 113.88 1k0s n ASP 110 Ca 0.02 0.17 -0.20 0.00 0.52 0.00 0.00 54.79 55.30 1k0s n ASP 110 Cb 0.51 0.60 -0.13 0.00 -0.72 0.00 0.00 41.12 41.38 1k0s n ASP 110 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1k0s n LEU 111 N -2.44 2.75 0.00 -2.67 4.32 -1.26 -4.88 117.00 112.82 1k0s n LEU 111 Ca 0.00 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1k0s n LEU 111 Cb 0.00 -1.02 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 1k0s n LEU 111 CO 0.00 0.87 0.00 1.07 -1.22 0.00 0.00 177.39 178.11 1k0s n THR 112 N -3.43 0.00 -1.78 -5.08 5.66 -1.26 -5.12 114.28 103.27 1k0s n THR 112 Ca -0.39 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1k0s n THR 112 Cb 1.01 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 1k0s n THR 112 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1k0s n ASN 113 N 0.00 -8.47 -3.20 1.09 2.85 -1.26 -5.05 115.26 101.21 1k0s n ASN 113 Ca 0.00 1.22 0.04 0.00 -0.11 0.00 0.00 54.58 55.73 1k0s n ASN 113 Cb 0.00 -4.53 -0.03 0.00 1.24 0.00 0.00 39.78 36.46 1k0s n ASN 113 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1k0s s VAL 114 N -1.20 -0.30 -0.29 3.44 -7.23 -1.17 -4.95 120.40 108.70 1k0s s VAL 114 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1k0s s VAL 114 Cb 0.00 -1.00 0.17 0.00 0.56 0.00 0.00 36.38 36.11 1k0s s VAL 114 CO 0.00 0.00 1.10 -0.55 -0.31 0.00 0.00 175.10 175.34 1k0s s SER 115 N 2.72 -0.33 -0.31 4.85 0.15 -1.26 -4.61 113.70 114.90 1k0s s SER 115 Ca -0.02 0.54 0.10 0.00 0.70 0.00 0.00 55.95 57.27 1k0s s SER 115 Cb -0.08 1.08 0.63 0.00 -1.71 0.00 0.00 66.02 65.94 1k0s s SER 115 CO -0.13 -0.09 1.66 0.47 1.20 0.00 0.00 173.24 176.35 1k0s n ASP 116 N 3.32 3.83 -0.26 5.45 8.00 -1.26 -4.53 116.55 131.10 1k0s n ASP 116 Ca -0.17 -3.40 0.19 0.00 0.71 0.00 0.00 54.79 52.12 1k0s n ASP 116 Cb 0.57 -0.69 0.50 0.00 -0.02 0.00 0.00 41.12 41.48 1k0s n ASP 116 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1k0s h LYS 117 N 1.77 0.41 0.00 -1.24 1.79 -1.87 -3.31 116.57 114.13 1k0s h LYS 117 Ca 0.26 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.58 1k0s h LYS 117 Cb 2.06 -0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 32.51 1k0s h LYS 117 CO 0.60 0.27 -0.20 0.34 -1.08 0.00 0.00 179.45 179.39 1k0s n PHE 118 N -4.53 -1.38 0.11 -1.35 7.35 -1.26 -3.58 117.46 112.82 1k0s n PHE 118 Ca 0.20 -1.18 0.00 0.00 -0.76 0.00 0.00 57.45 55.71 1k0s n PHE 118 Cb 0.71 1.21 0.00 0.00 0.35 0.00 0.00 39.48 41.75 1k0s n PHE 118 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1k0s n GLY 119 N -1.03 1.70 0.09 7.13 0.00 -1.24 -3.75 105.19 108.08 1k0s n GLY 119 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1k0s n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s h LYS 120 N 1.30 0.15 -0.02 1.61 1.79 -1.90 -3.40 116.57 116.11 1k0s h LYS 120 Ca 0.00 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.08 1k0s h LYS 120 Cb 0.71 0.09 -0.18 0.00 -1.58 0.00 0.00 32.23 31.27 1k0s h LYS 120 CO 0.00 1.09 -0.40 1.17 -1.08 0.00 0.00 179.45 180.22 1k0s n LYS 121 N -3.48 0.43 -3.09 3.15 3.00 -1.25 -5.09 118.16 111.84 1k0s n LYS 121 Ca -0.04 -1.28 0.00 0.00 -0.00 0.00 0.00 58.31 56.99 1k0s n LYS 121 Cb 0.95 0.33 0.00 0.00 0.00 0.00 0.00 35.03 36.31 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 -0.37 0.00 0.02 3.14 3.41 -1.25 -3.94 113.62 114.62 1k0s n SER 122 Ca -0.20 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.29 1k0s n SER 122 Cb 0.80 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.66 1k0s n SER 122 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k0s h LYS 123 N 0.00 -0.11 0.00 4.33 1.79 -1.80 -3.34 116.57 117.43 1k0s h LYS 123 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1k0s h LYS 123 Cb 0.00 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1k0s h LYS 123 CO 0.00 0.41 0.00 0.41 -1.08 0.00 0.00 179.45 179.19 1k0s n GLY 124 N 0.59 1.49 3.77 3.86 0.00 -0.84 -3.72 105.19 110.34 1k0s n GLY 124 Ca -0.08 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 1k0s n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k0s s LEU 125 N 0.00 4.20 0.17 0.99 1.98 -1.23 -1.72 118.68 123.07 1k0s s LEU 125 Ca 0.00 2.24 0.11 0.00 -2.89 0.00 0.00 54.13 53.59 1k0s s LEU 125 Cb 0.00 -4.05 -0.04 0.00 0.66 0.00 0.00 46.19 42.76 1k0s s LEU 125 CO 0.00 -0.58 -0.24 0.54 -1.89 0.00 0.00 176.35 174.18 1k0s s VAL 126 N -1.47 2.21 -0.16 1.68 0.11 0.20 -4.75 120.40 118.23 1k0s s VAL 126 Ca 0.56 -1.93 -0.15 0.00 -2.93 0.00 0.00 61.98 57.53 1k0s s VAL 126 Cb -0.28 -2.02 0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1k0s s VAL 126 CO 0.35 -0.10 0.44 -0.75 -3.33 0.00 0.00 175.10 171.71 1k0s s LYS 127 N -2.52 0.52 -0.17 1.54 2.20 -1.26 -0.98 119.74 119.07 1k0s s LYS 127 Ca 0.18 0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 56.10 1k0s s LYS 127 Cb -0.08 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.56 1k0s s LYS 127 CO 0.08 -0.07 0.69 0.99 -0.36 0.00 0.00 175.35 176.69 1k0s s THR 128 N 0.18 0.00 -1.49 3.43 2.01 -0.87 -4.75 115.64 114.15 1k0s s THR 128 Ca -0.00 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1k0s s THR 128 Cb -0.03 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1k0s s THR 128 CO 0.01 -0.00 0.38 -0.90 -0.69 0.00 0.00 174.62 173.41 1k0s n ASP 129 N 1.87 -0.47 -3.79 3.53 5.68 -1.26 -0.52 116.55 121.60 1k0s n ASP 129 Ca -0.16 -1.08 -0.27 0.00 -0.50 0.00 0.00 54.79 52.78 1k0s n ASP 129 Cb 0.56 -2.64 0.04 0.00 -1.14 0.00 0.00 41.12 37.94 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k0s n GLY 130 N -2.02 -0.46 2.95 6.12 0.00 -1.26 -4.98 105.19 105.53 1k0s n GLY 130 Ca -0.25 0.19 -0.16 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 -6.38 0.40 0.03 1.61 1.70 0.32 -5.14 118.95 111.49 1k0s s ARG 131 Ca 0.49 -0.17 -0.20 0.00 -0.47 0.00 0.00 55.73 55.38 1k0s s ARG 131 Cb -0.24 -0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 33.70 1k0s s ARG 131 CO 0.80 0.10 0.59 -0.51 -1.08 0.00 0.00 175.30 175.21 1k0s s LEU 132 N -0.11 4.47 -0.01 -1.89 1.02 -1.26 -2.06 118.68 118.84 1k0s s LEU 132 Ca 0.02 1.22 -0.24 0.00 0.02 0.00 0.00 54.13 55.15 1k0s s LEU 132 Cb -0.02 -2.92 0.05 0.00 0.02 0.00 0.00 46.19 43.32 1k0s s LEU 132 CO -0.00 0.18 0.53 -0.63 0.02 0.00 0.00 176.35 176.45 1k0s s ILE 133 N -0.61 0.02 -0.03 -0.59 1.01 -0.16 -3.07 121.20 117.78 1k0s s ILE 133 Ca 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1k0s s ILE 133 Cb -0.19 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 1k0s s ILE 133 CO 0.18 -0.11 0.14 -0.63 0.00 0.00 0.00 174.94 174.52 1k0s s ILE 134 N -1.59 5.22 0.01 2.92 1.09 0.19 0.62 121.20 129.65 1k0s s ILE 134 Ca -0.10 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.28 1k0s s ILE 134 Cb -0.02 -3.39 -0.01 0.00 -1.06 0.00 0.00 42.46 37.99 1k0s s ILE 134 CO 0.05 0.39 -0.01 -0.47 -0.10 0.00 0.00 174.94 174.80 1k0s s TYR 135 N -1.22 0.10 -0.16 3.97 5.04 -0.70 0.74 117.35 125.11 1k0s s TYR 135 Ca 0.23 -0.14 -0.25 0.00 -2.44 0.00 0.00 57.07 54.47 1k0s s TYR 135 Cb -0.12 -0.07 0.06 0.00 0.35 0.00 0.00 41.96 42.18 1k0s s TYR 135 CO 0.14 -0.05 0.64 -0.48 -1.34 0.00 0.00 175.55 174.46 1k0s s LEU 136 N -0.39 -0.45 -0.46 6.97 -0.00 -0.73 -1.99 118.68 121.62 1k0s s LEU 136 Ca -0.04 1.02 0.01 0.00 -0.00 0.00 0.00 54.13 55.12 1k0s s LEU 136 Cb -0.03 2.27 0.50 0.00 -0.00 0.00 0.00 46.19 48.93 1k0s s LEU 136 CO -0.00 -0.37 1.89 -0.67 -0.00 0.00 0.00 176.35 177.19 1k0s n ASP 137 N 2.00 5.14 -1.13 1.48 -0.08 -1.26 -1.14 116.55 121.55 1k0s n ASP 137 Ca -0.16 -3.47 -0.03 0.00 -1.51 0.00 0.00 54.79 49.62 1k0s n ASP 137 Cb 0.56 -0.88 -0.01 0.00 2.34 0.00 0.00 41.12 43.13 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 -0.78 -0.01 -0.01 5.18 3.06 -1.26 -4.77 119.36 120.77 1k0s n ILE 138 Ca 0.53 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.69 1k0s n ILE 138 Cb 1.16 -0.25 -0.07 0.00 0.54 0.00 0.00 39.64 41.03 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 -0.08 0.91 9.51 3.58 -1.96 -2.58 116.42 125.80 1k0s h ASP 139 Ca -0.05 -0.43 -0.21 0.00 0.42 0.00 0.00 57.03 56.76 1k0s h ASP 139 Cb 0.20 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1k0s h ASP 139 CO 0.08 0.58 -0.99 0.11 -2.88 0.00 0.00 179.24 176.14 1k0s h LYS 140 N -0.95 0.04 -0.22 0.28 1.57 -1.86 -2.32 116.57 113.10 1k0s h LYS 140 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1k0s h LYS 140 Cb 0.51 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1k0s h LYS 140 CO 0.02 0.99 -0.11 0.97 -0.57 0.00 0.00 179.45 180.74 1k0s h ILE 141 N 0.01 1.31 -0.25 1.86 -0.00 -1.72 -2.32 117.51 116.40 1k0s h ILE 141 Ca -0.02 -1.19 -0.05 0.00 -0.00 0.00 0.00 64.86 63.59 1k0s h ILE 141 Cb 1.73 1.61 -0.01 0.00 -0.00 0.00 0.00 36.82 40.15 1k0s h ILE 141 CO 0.13 0.37 -0.05 -0.29 -0.00 0.00 0.00 178.15 178.31 1k0s h ILE 142 N 0.17 1.28 -0.87 2.19 6.09 -1.53 -1.31 117.51 123.53 1k0s h ILE 142 Ca 0.05 -1.03 0.21 0.00 -1.37 0.00 0.00 64.86 62.72 1k0s h ILE 142 Cb 0.61 1.45 -0.12 0.00 0.47 0.00 0.00 36.82 39.23 1k0s h ILE 142 CO 0.03 0.32 0.35 -0.08 -3.07 0.00 0.00 178.15 175.71 1k0s h GLU 143 N 0.22 0.36 -0.03 2.19 4.57 -1.39 0.78 114.58 121.29 1k0s h GLU 143 Ca 0.06 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.08 1k0s h GLU 143 Cb 0.50 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1k0s h GLU 143 CO 0.02 0.24 -0.63 0.93 -1.18 0.00 0.00 179.01 178.39 1k0s h GLU 144 N 0.37 0.11 -0.89 1.92 4.39 -1.20 -2.25 114.58 117.03 1k0s h GLU 144 Ca 0.54 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 60.26 1k0s h GLU 144 Cb 1.01 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.60 1k0s h GLU 144 CO -0.53 0.70 0.53 0.82 -1.16 0.00 0.00 179.01 179.37 1k0s h ILE 145 N 0.08 0.91 0.00 3.13 2.04 0.18 0.84 117.51 124.69 1k0s h ILE 145 Ca -0.01 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1k0s h ILE 145 Cb 1.13 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1k0s h ILE 145 CO 0.09 0.16 -0.11 0.71 0.00 0.00 0.00 178.15 179.00 1k0s h THR 146 N 0.86 1.32 -0.07 -0.27 1.35 -1.33 -3.33 112.91 111.44 1k0s h THR 146 Ca 0.43 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1k0s h THR 146 Cb 0.40 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1k0s h THR 146 CO -0.25 0.45 0.00 0.55 -0.25 0.00 0.00 175.52 176.01 1k0s n VAL 147 N -4.63 0.17 -0.31 6.82 3.14 -0.86 -4.33 118.33 118.33 1k0s n VAL 147 Ca -0.10 -0.12 0.15 0.00 -2.96 0.00 0.00 64.34 61.32 1k0s n VAL 147 Cb 0.39 -0.11 0.33 0.00 -1.06 0.00 0.00 33.84 33.39 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 0.46 0.20 -6.48 1.45 3.64 0.59 -3.40 116.57 113.03 1k0s h LYS 148 Ca 0.00 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 1k0s h LYS 148 Cb 0.28 -0.04 0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1k0s h LYS 148 CO 0.02 0.13 0.95 -1.91 -2.27 0.00 0.00 179.45 176.37 1k0s n GLU 149 N -5.22 2.38 0.00 1.90 2.13 -1.26 -4.31 120.64 116.25 1k0s n GLU 149 Ca 0.24 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.92 1k0s n GLU 149 Cb 0.76 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k0s n GLY 150 N 3.85 0.57 3.76 8.31 0.00 -1.26 -5.17 105.19 115.25 1k0s n GLY 150 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70