#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 0.67 0.00 2.12 2.10 -2.08 -3.45 116.57 115.93 1k0s h LYS 2 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1k0s h LYS 2 Cb 0.00 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.18 1k0s h LYS 2 CO 0.00 0.45 0.00 2.41 -2.00 0.00 0.00 179.45 180.31 1k0s n THR 3 N -4.75 0.00 0.09 0.07 -1.04 -1.26 -4.34 114.28 103.05 1k0s n THR 3 Ca 0.04 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.20 1k0s n THR 3 Cb 0.07 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.23 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 0.03 -0.74 -4.42 8.10 -2.07 -3.48 115.31 112.72 1k0s h LEU 4 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1k0s h LEU 4 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1k0s h LEU 4 CO 0.00 0.02 -0.61 0.00 -4.11 0.00 0.00 178.44 173.74 1k0s n ALA 5 N -2.60 -2.19 -1.77 0.17 0.00 -1.26 -4.87 120.51 107.99 1k0s n ALA 5 Ca 0.05 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1k0s n ALA 5 Cb 0.40 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.73 1k0s n ALA 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1k0s s ASP 6 N -2.10 6.32 0.00 0.00 1.47 -1.26 -4.99 116.67 116.11 1k0s s ASP 6 Ca 0.00 3.06 0.00 0.00 1.18 0.00 0.00 52.55 56.79 1k0s s ASP 6 Cb 0.00 -2.66 0.00 0.00 -0.34 0.00 0.00 42.92 39.92 1k0s s ASP 6 CO 0.00 -0.90 0.00 0.00 0.68 0.00 0.00 175.17 174.95 1k0s n ALA 7 N 0.77 0.00 -2.75 2.11 0.00 -1.26 -5.07 120.51 114.31 1k0s n ALA 7 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 1k0s n ALA 7 Cb 0.39 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.30 -0.04 0.00 4.77 -1.26 -4.97 117.00 115.81 1k0s n LEU 8 Ca 0.00 -3.24 -0.02 0.00 -0.03 0.00 0.00 56.01 52.72 1k0s n LEU 8 Cb 0.00 0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1k0s n LEU 8 CO 0.00 1.41 -0.16 0.11 -1.33 0.00 0.00 177.39 177.42 1k0s h LYS 9 N 2.15 0.00 -3.54 3.23 1.79 -1.97 -3.45 116.57 114.78 1k0s h LYS 9 Ca -0.24 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 1k0s h LYS 9 Cb 1.27 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.80 1k0s h LYS 9 CO 0.10 0.00 -0.12 -1.21 -1.08 0.00 0.00 179.45 177.14 1k0s s GLU 10 N -1.62 1.25 -0.13 3.15 2.02 -1.26 -4.62 118.70 117.49 1k0s s GLU 10 Ca -0.07 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 53.97 1k0s s GLU 10 Cb 0.01 0.46 -0.00 0.00 0.10 0.00 0.00 34.13 34.69 1k0s s GLU 10 CO 0.10 -0.50 -0.18 0.12 0.02 0.00 0.00 175.26 174.83 1k0s s PHE 11 N -3.90 2.72 -0.15 1.61 5.36 0.33 -4.84 117.98 119.11 1k0s s PHE 11 Ca 0.11 -0.95 -0.21 0.00 -0.96 0.00 0.00 56.93 54.92 1k0s s PHE 11 Cb 0.01 -1.82 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 1k0s s PHE 11 CO -0.03 -0.40 0.62 -2.00 -1.46 0.00 0.00 175.22 171.95 1k0s s GLU 12 N 0.55 4.29 0.22 10.12 2.12 -1.26 0.15 118.70 134.89 1k0s s GLU 12 Ca -0.11 0.65 -0.13 0.00 0.36 0.00 0.00 54.97 55.74 1k0s s GLU 12 Cb -0.16 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1k0s s GLU 12 CO 0.04 -0.10 0.45 0.54 -0.54 0.00 0.00 175.26 175.65 1k0s s VAL 13 N 1.41 0.02 0.04 3.70 0.11 -0.72 -4.45 120.40 120.52 1k0s s VAL 13 Ca 0.30 -1.26 -0.20 0.00 -2.93 0.00 0.00 61.98 57.90 1k0s s VAL 13 Cb -0.16 -1.98 -0.06 0.00 -1.53 0.00 0.00 36.38 32.65 1k0s s VAL 13 CO 0.12 -0.09 0.59 -0.22 -3.33 0.00 0.00 175.10 172.17 1k0s s LEU 14 N -2.97 4.49 0.09 2.54 1.98 -0.91 0.12 118.68 124.01 1k0s s LEU 14 Ca 0.18 1.24 -0.12 0.00 -2.89 0.00 0.00 54.13 52.54 1k0s s LEU 14 Cb 0.00 -2.92 0.01 0.00 0.66 0.00 0.00 46.19 43.94 1k0s s LEU 14 CO 0.04 0.20 0.27 -0.94 -1.89 0.00 0.00 176.35 174.03 1k0s s SER 15 N -0.73 -0.02 0.20 3.68 1.04 0.70 -1.15 113.70 117.41 1k0s s SER 15 Ca 0.30 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 1k0s s SER 15 Cb -0.19 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.32 1k0s s SER 15 CO 0.19 -0.74 0.44 0.72 0.98 0.00 0.00 173.24 174.82 1k0s s PHE 16 N -3.59 0.14 0.04 5.02 -0.12 0.79 0.28 117.98 120.53 1k0s s PHE 16 Ca 0.02 -0.50 -0.20 0.00 -0.05 0.00 0.00 56.93 56.20 1k0s s PHE 16 Cb 0.03 0.21 -0.06 0.00 -0.63 0.00 0.00 43.02 42.57 1k0s s PHE 16 CO -0.10 -0.87 0.60 -2.00 -0.05 0.00 0.00 175.22 172.80 1k0s s GLU 17 N -3.93 4.29 -0.37 1.99 2.12 0.13 -0.52 118.70 122.41 1k0s s GLU 17 Ca 0.14 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1k0s s GLU 17 Cb 0.00 -3.30 0.13 0.00 0.26 0.00 0.00 34.13 31.22 1k0s s GLU 17 CO 0.00 0.49 0.19 0.42 -0.54 0.00 0.00 175.26 175.82 1k0s s ILE 18 N -0.61 0.76 -1.17 -3.70 -1.09 0.26 -4.21 121.20 111.44 1k0s s ILE 18 Ca 0.31 -1.89 -0.28 0.00 -2.23 0.00 0.00 60.65 56.55 1k0s s ILE 18 Cb -0.19 -1.55 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 1k0s s ILE 18 CO 0.19 -0.87 0.73 0.47 -1.23 0.00 0.00 174.94 174.23 1k0s n ASP 19 N 4.11 -4.72 0.00 3.58 9.92 -1.26 -1.30 116.55 126.88 1k0s n ASP 19 Ca 0.06 -1.17 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 1k0s n ASP 19 Cb 0.37 -2.44 0.00 0.00 -0.64 0.00 0.00 41.12 38.41 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 -4.62 0.00 -3.29 -1.24 1.02 -1.26 -4.80 120.64 106.46 1k0s n GLU 20 Ca -0.10 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.69 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 4.03 0.59 3.49 -2.07 -0.42 -4.93 119.66 120.34 1k0s s GLN 21 Ca 0.00 0.57 -0.04 0.00 -1.82 0.00 0.00 55.36 54.07 1k0s s GLN 21 Cb 0.00 -2.85 0.02 0.00 -1.09 0.00 0.00 33.01 29.09 1k0s s GLN 21 CO 0.00 0.42 0.87 0.00 -1.32 0.00 0.00 175.29 175.25 1k0s s ALA 22 N -1.55 3.45 -0.13 2.60 0.00 -0.61 0.91 121.76 126.42 1k0s s ALA 22 Ca 0.41 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1k0s s ALA 22 Cb -0.15 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1k0s s ALA 22 CO 0.20 -0.83 0.34 -1.17 0.00 0.00 0.00 175.76 174.29 1k0s s LEU 23 N -4.93 0.66 -0.00 0.00 2.96 0.32 0.45 118.68 118.13 1k0s s LEU 23 Ca 0.55 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 55.11 1k0s s LEU 23 Cb -0.10 1.16 -0.00 0.00 0.50 0.00 0.00 46.19 47.74 1k0s s LEU 23 CO 0.43 -0.12 0.07 0.00 -1.32 0.00 0.00 176.35 175.41 1k0s s ALA 24 N 0.26 -0.16 0.03 5.97 0.00 0.21 -0.15 121.76 127.92 1k0s s ALA 24 Ca -0.01 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.88 1k0s s ALA 24 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1k0s s ALA 24 CO -0.00 -0.14 -0.21 -0.06 0.00 0.00 0.00 175.76 175.35 1k0s s PHE 25 N -0.93 1.85 -0.04 0.00 0.40 -0.30 -1.63 117.98 117.32 1k0s s PHE 25 Ca -0.10 -0.37 -0.35 0.00 -0.60 0.00 0.00 56.93 55.51 1k0s s PHE 25 Cb -0.06 -1.13 -0.13 0.00 0.51 0.00 0.00 43.02 42.21 1k0s s PHE 25 CO 0.00 0.06 1.75 -3.47 0.70 0.00 0.00 175.22 174.26 1k0s n ASP 26 N 2.04 3.09 0.17 1.36 -0.08 -0.94 -2.14 116.55 120.04 1k0s n ASP 26 Ca -0.17 1.02 0.10 0.00 -1.51 0.00 0.00 54.79 54.24 1k0s n ASP 26 Cb 0.53 -1.34 0.55 0.00 2.34 0.00 0.00 41.12 43.20 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 4.47 0.90 -0.19 5.18 0.24 -1.26 -1.57 118.33 126.10 1k0s n VAL 27 Ca 0.21 0.75 -0.08 0.00 -2.04 0.00 0.00 64.34 63.19 1k0s n VAL 27 Cb 0.26 -1.75 0.02 0.00 -1.47 0.00 0.00 33.84 30.90 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 0.72 0.06 -1.34 1.82 -1.92 -3.25 116.42 112.51 1k0s h ASP 28 Ca 0.00 -0.14 -0.18 0.00 -0.39 0.00 0.00 57.03 56.32 1k0s h ASP 28 Cb 0.15 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 1k0s h ASP 28 CO 0.00 0.66 -0.94 -1.13 -1.61 0.00 0.00 179.24 176.23 1k0s h ASN 29 N 0.73 0.20 -2.98 2.28 -1.24 -1.60 -3.46 115.58 109.50 1k0s h ASN 29 Ca 0.18 -0.82 -0.52 0.00 0.71 0.00 0.00 56.30 55.85 1k0s h ASN 29 Cb 0.14 -0.06 0.07 0.00 0.73 0.00 0.00 38.32 39.20 1k0s h ASN 29 CO -0.02 1.40 0.94 -0.63 -1.29 0.00 0.00 177.43 177.82 1k0s s ILE 30 N -2.38 2.14 -0.15 2.57 -1.09 -0.99 -2.15 121.20 119.15 1k0s s ILE 30 Ca -0.21 0.11 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1k0s s ILE 30 Cb 0.02 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1k0s s ILE 30 CO 0.71 0.01 -0.25 -0.62 -1.23 0.00 0.00 174.94 173.56 1k0s n GLU 31 N 3.19 0.47 -3.54 2.79 1.02 -0.48 -4.80 120.64 119.29 1k0s n GLU 31 Ca 0.12 0.37 -0.08 0.00 -0.02 0.00 0.00 57.16 57.54 1k0s n GLU 31 Cb 0.37 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1k0s n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k0s s MET 32 N -2.50 0.66 0.17 3.49 0.23 -1.14 -5.02 119.30 115.18 1k0s s MET 32 Ca -0.21 -0.12 -0.16 0.00 -1.03 0.00 0.00 55.69 54.17 1k0s s MET 32 Cb 0.03 0.31 -0.07 0.00 -1.53 0.00 0.00 34.83 33.56 1k0s s MET 32 CO 0.31 -0.26 0.60 0.14 -2.03 0.00 0.00 175.02 173.78 1k0s s VAL 33 N -2.32 4.76 -0.01 5.16 -7.23 -1.26 -0.10 120.40 119.40 1k0s s VAL 33 Ca 0.03 0.98 0.01 0.00 -1.81 0.00 0.00 61.98 61.19 1k0s s VAL 33 Cb -0.01 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1k0s s VAL 33 CO -0.05 0.25 -0.02 0.27 -0.31 0.00 0.00 175.10 175.24 1k0s s ILE 34 N -1.47 0.20 -0.24 -0.62 -4.36 0.17 -4.88 121.20 110.01 1k0s s ILE 34 Ca 0.39 -0.05 -0.21 0.00 -0.26 0.00 0.00 60.65 60.52 1k0s s ILE 34 Cb -0.16 -0.21 -0.02 0.00 1.25 0.00 0.00 42.46 43.32 1k0s s ILE 34 CO 0.20 0.09 0.65 -1.83 0.24 0.00 0.00 174.94 174.29 1k0s s GLU 35 N 0.28 4.14 0.04 0.37 1.03 -1.26 -0.38 118.70 122.91 1k0s s GLU 35 Ca -0.02 0.61 -0.27 0.00 0.03 0.00 0.00 54.97 55.32 1k0s s GLU 35 Cb -0.05 -3.63 0.08 0.00 -0.80 0.00 0.00 34.13 29.73 1k0s s GLU 35 CO -0.01 -0.38 0.73 0.15 -1.33 0.00 0.00 175.26 174.42 1k0s s LYS 36 N 2.41 1.05 -0.16 -4.83 1.02 -1.26 -4.90 119.74 113.06 1k0s s LYS 36 Ca 0.28 -0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.14 1k0s s LYS 36 Cb -0.16 0.49 0.19 0.00 -0.52 0.00 0.00 37.83 37.84 1k0s s LYS 36 CO 0.09 -0.42 1.03 0.43 -0.92 0.00 0.00 175.35 175.55 1k0s n SER 37 N 0.08 -0.84 -2.40 2.83 7.64 -1.26 -4.44 113.62 115.22 1k0s n SER 37 Ca -0.15 -1.63 -0.03 0.00 1.01 0.00 0.00 58.87 58.07 1k0s n SER 37 Cb 0.62 0.37 0.07 0.00 -1.01 0.00 0.00 64.21 64.26 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 -0.74 -1.16 -4.82 6.43 2.03 -1.26 -5.14 116.55 111.89 1k0s n ASP 38 Ca -0.13 -1.88 -0.38 0.00 0.52 0.00 0.00 54.79 52.93 1k0s n ASP 38 Cb 0.69 0.66 -0.06 0.00 -0.72 0.00 0.00 41.12 41.68 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 0.10 5.08 -0.47 5.18 1.01 -1.26 -4.67 121.20 126.17 1k0s s ILE 39 Ca 0.09 0.80 -0.27 0.00 0.00 0.00 0.00 60.65 61.27 1k0s s ILE 39 Cb 0.26 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 39.07 1k0s s ILE 39 CO -0.07 0.54 0.57 0.41 0.00 0.00 0.00 174.94 176.40 1k0s n THR 40 N 2.13 -3.23 -0.06 2.92 -1.04 -1.25 -3.79 114.28 109.97 1k0s n THR 40 Ca -0.13 0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.72 1k0s n THR 40 Cb 0.52 -2.93 -0.13 0.00 -1.82 0.00 0.00 70.33 65.97 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 1.38 0.09 0.02 -2.82 0.13 -1.83 -3.40 132.00 125.57 1k0s h PRO 41 Ca -0.52 -0.15 -0.26 0.00 -0.87 0.00 0.00 66.00 64.20 1k0s h PRO 41 Cb 1.24 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1k0s h PRO 41 CO 0.23 1.07 -1.37 -0.24 -0.23 0.00 0.00 178.00 177.47 1k0s h VAL 42 N -0.73 1.29 0.28 1.56 3.04 -1.95 -3.38 116.25 116.35 1k0s h VAL 42 Ca -0.28 -3.04 0.00 0.00 -1.01 0.00 0.00 66.70 62.38 1k0s h VAL 42 Cb 1.42 2.67 -0.03 0.00 -2.01 0.00 0.00 31.29 33.35 1k0s h VAL 42 CO -0.08 0.77 -0.34 -0.65 -1.01 0.00 0.00 177.57 176.26 1k0s h PRO 43 N 0.01 -0.65 0.00 4.17 0.11 -1.97 -3.46 132.00 130.21 1k0s h PRO 43 Ca -0.16 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1k0s h PRO 43 Cb 1.91 0.15 0.00 0.00 0.11 0.00 0.00 31.00 33.17 1k0s h PRO 43 CO 0.12 -0.43 0.00 1.17 -0.21 0.00 0.00 178.00 178.65 1k0s n LYS 44 N -5.45 0.00 0.00 1.05 4.81 -1.26 -4.84 118.16 112.47 1k0s n LYS 44 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1k0s n LYS 44 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1k0s n SER 45 N 3.53 0.00 0.15 3.14 2.88 -1.26 -4.62 113.62 117.44 1k0s n SER 45 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1k0s n SER 45 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 1k0s n SER 45 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1k0s h ARG 46 N 0.00 0.16 0.00 -1.46 -0.00 -1.88 -3.46 114.38 107.74 1k0s h ARG 46 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1k0s h ARG 46 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.95 1k0s h ARG 46 CO 0.00 0.33 0.00 0.72 0.00 0.00 0.00 179.97 181.02 1k0s n HIS 47 N -4.28 0.00 -0.08 3.04 8.25 -1.26 -3.98 115.22 116.91 1k0s n HIS 47 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1k0s n HIS 47 Cb 0.27 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 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 0.74 -3.58 4.41 3.57 -1.94 -3.43 116.94 116.71 1k0s h PHE 48 Ca 0.00 -0.23 -0.51 0.00 3.53 0.00 0.00 57.97 60.76 1k0s h PHE 48 Cb 0.00 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1k0s h PHE 48 CO 0.00 0.94 0.40 0.08 -2.23 0.00 0.00 178.31 177.50 1k0s s VAL 49 N -4.33 4.25 -0.10 1.41 1.01 -1.26 -4.70 120.40 116.69 1k0s s VAL 49 Ca -0.13 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.68 1k0s s VAL 49 Cb 0.08 -4.23 -0.27 0.00 0.00 0.00 0.00 36.38 31.96 1k0s s VAL 49 CO 0.81 0.32 0.47 -0.33 0.00 0.00 0.00 175.10 176.37 1k0s h GLU 50 N 5.29 0.29 -4.72 2.72 4.39 -1.79 -3.43 114.58 117.33 1k0s h GLU 50 Ca -0.44 -0.50 -0.25 0.00 0.34 0.00 0.00 59.36 58.52 1k0s h GLU 50 Cb 1.21 0.19 -0.15 0.00 -0.10 0.00 0.00 28.75 29.90 1k0s h GLU 50 CO 0.72 1.24 -0.69 0.20 -1.16 0.00 0.00 179.01 179.31 1k0s s GLY 51 N -5.34 0.89 0.27 -3.84 0.00 -0.98 -4.59 107.32 93.73 1k0s s GLY 51 Ca -0.21 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 42.89 1k0s s GLY 51 CO 0.79 -1.48 0.71 -1.34 0.00 0.00 0.00 173.10 171.77 1k0s s VAL 52 N -3.60 0.00 -0.21 1.40 -7.23 -1.26 0.30 120.40 109.80 1k0s s VAL 52 Ca 0.15 -0.94 -0.25 0.00 -1.81 0.00 0.00 61.98 59.12 1k0s s VAL 52 Cb 0.05 -1.94 0.07 0.00 0.56 0.00 0.00 36.38 35.12 1k0s s VAL 52 CO -0.02 -0.00 0.68 0.27 -0.31 0.00 0.00 175.10 175.71 1k0s s ILE 53 N -3.91 0.00 0.11 -0.62 -4.36 -0.75 -3.77 121.20 107.90 1k0s s ILE 53 Ca 0.11 -0.01 -0.19 0.00 -0.26 0.00 0.00 60.65 60.30 1k0s s ILE 53 Cb -0.06 -0.96 -0.07 0.00 1.25 0.00 0.00 42.46 42.63 1k0s s ILE 53 CO 0.06 -0.01 0.59 0.21 0.24 0.00 0.00 174.94 176.04 1k0s s ASN 54 N -0.02 7.04 -0.29 4.36 2.47 -1.26 -0.39 114.94 126.85 1k0s s ASN 54 Ca -0.03 1.27 -0.19 0.00 0.42 0.00 0.00 52.86 54.34 1k0s s ASN 54 Cb -0.04 -2.36 0.14 0.00 -1.45 0.00 0.00 41.25 37.54 1k0s s ASN 54 CO 0.03 0.21 0.99 -0.22 -3.72 0.00 0.00 177.10 174.39 1k0s s LEU 55 N -1.36 -0.50 -1.47 3.21 1.98 -0.39 -4.95 118.68 115.20 1k0s s LEU 55 Ca 0.32 0.85 -0.07 0.00 -2.89 0.00 0.00 54.13 52.34 1k0s s LEU 55 Cb -0.19 1.80 0.05 0.00 0.66 0.00 0.00 46.19 48.51 1k0s s LEU 55 CO 0.20 -0.14 0.69 0.54 -1.89 0.00 0.00 176.35 175.75 1k0s n ARG 56 N 3.27 -4.18 -3.51 1.98 5.12 -1.26 -0.90 116.66 117.18 1k0s n ARG 56 Ca -0.17 0.49 -0.25 0.00 -1.93 0.00 0.00 57.85 55.99 1k0s n ARG 56 Cb 0.57 -5.01 0.04 0.00 -1.16 0.00 0.00 32.46 26.90 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 -1.71 -0.52 3.57 -0.13 0.00 -1.26 -4.97 105.19 100.16 1k0s n GLY 57 Ca -0.15 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1k0s n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s s ARG 58 N -6.21 0.58 -0.15 1.61 1.81 -0.08 -5.15 118.95 111.36 1k0s s ARG 58 Ca 0.52 1.27 -0.19 0.00 -1.72 0.00 0.00 55.73 55.61 1k0s s ARG 58 Cb -0.24 0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 34.70 1k0s s ARG 58 CO 0.64 -0.18 0.53 0.42 -0.68 0.00 0.00 175.30 176.02 1k0s s ILE 59 N 2.29 5.13 -0.09 1.52 1.09 -1.26 -1.26 121.20 128.63 1k0s s ILE 59 Ca -0.07 1.03 -0.14 0.00 -1.10 0.00 0.00 60.65 60.36 1k0s s ILE 59 Cb -0.09 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.40 1k0s s ILE 59 CO -0.18 0.25 0.34 0.27 -0.10 0.00 0.00 174.94 175.52 1k0s s ILE 60 N 1.11 5.21 -0.26 2.92 -5.25 0.48 -4.86 121.20 120.54 1k0s s ILE 60 Ca 0.27 0.68 -0.11 0.00 -0.99 0.00 0.00 60.65 60.49 1k0s s ILE 60 Cb -0.16 -3.66 -0.05 0.00 2.95 0.00 0.00 42.46 41.54 1k0s s ILE 60 CO 0.11 0.48 0.20 -2.16 -1.79 0.00 0.00 174.94 171.77 1k0s s PRO 61 N -0.26 4.00 -0.20 0.37 0.04 -1.23 -1.81 135.00 135.91 1k0s s PRO 61 Ca 0.20 -0.27 -0.08 0.00 0.04 0.00 0.00 61.00 60.90 1k0s s PRO 61 Cb -0.15 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1k0s s PRO 61 CO 0.08 -0.10 0.08 0.14 0.04 0.00 0.00 177.00 177.24 1k0s s VAL 62 N 1.53 4.80 0.06 -0.36 -7.23 0.15 -1.20 120.40 118.15 1k0s s VAL 62 Ca 0.08 -0.02 -0.01 0.00 -1.81 0.00 0.00 61.98 60.22 1k0s s VAL 62 Cb -0.15 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 1k0s s VAL 62 CO 0.09 0.42 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.58 1k0s s VAL 63 N 0.68 0.26 -1.20 1.32 1.01 -0.18 -2.31 120.40 119.98 1k0s s VAL 63 Ca 0.04 -1.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.01 1k0s s VAL 63 Cb -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1k0s s VAL 63 CO 0.02 -0.95 2.00 0.59 0.00 0.00 0.00 175.10 176.76 1k0s n ASN 64 N 0.08 3.60 -0.32 3.32 4.13 -1.26 -2.07 115.26 122.74 1k0s n ASN 64 Ca -0.13 -2.79 0.12 0.00 1.68 0.00 0.00 54.58 53.46 1k0s n ASN 64 Cb 0.61 -1.53 0.34 0.00 -1.54 0.00 0.00 39.78 37.66 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 12.63 0.73 -2.54 3.41 6.46 -1.85 0.70 115.31 134.85 1k0s h LEU 65 Ca 0.46 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1k0s h LEU 65 Cb 0.73 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1k0s h LEU 65 CO 1.73 0.33 0.00 0.00 -0.62 0.00 0.00 178.44 179.89 1k0s h ALA 66 N 1.60 1.00 0.06 1.25 0.00 -1.85 -0.64 119.26 120.68 1k0s h ALA 66 Ca 0.51 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.22 1k0s h ALA 66 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1k0s h ALA 66 CO -0.28 -0.00 -1.02 -0.22 0.00 0.00 0.00 179.25 177.72 1k0s h LYS 67 N 0.00 0.12 -0.82 0.00 3.11 0.17 1.83 116.57 120.99 1k0s h LYS 67 Ca 0.00 -0.21 0.16 0.00 -2.81 0.00 0.00 60.65 57.78 1k0s h LYS 67 Cb 0.01 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 31.26 1k0s h LYS 67 CO 0.00 1.10 0.54 0.97 -2.81 0.00 0.00 179.45 179.25 1k0s h ILE 68 N -0.66 0.79 0.00 2.00 2.10 -0.82 -2.19 117.51 118.73 1k0s h ILE 68 Ca -0.24 -0.17 -0.06 0.00 1.08 0.00 0.00 64.86 65.47 1k0s h ILE 68 Cb 1.46 0.25 -0.01 0.00 -1.09 0.00 0.00 36.82 37.43 1k0s h ILE 68 CO -0.02 0.09 -0.49 0.25 -1.08 0.00 0.00 178.15 176.89 1k0s h LEU 69 N 0.49 0.00 0.00 2.19 7.12 -1.25 -3.50 115.31 120.36 1k0s h LEU 69 Ca 0.41 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1k0s h LEU 69 Cb 0.86 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1k0s h LEU 69 CO -0.15 0.91 0.00 0.61 -0.13 0.00 0.00 178.44 179.67 1k0s n GLY 70 N 1.61 2.35 0.40 3.75 0.00 0.62 -5.07 105.19 108.85 1k0s n GLY 70 Ca -0.12 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.33 -0.61 -5.35 -1.25 -3.84 119.36 107.98 1k0s n ILE 71 Ca 0.00 0.01 0.08 0.00 -0.27 0.00 0.00 62.75 62.57 1k0s n ILE 71 Cb 0.00 -0.14 0.28 0.00 -1.74 0.00 0.00 39.64 38.04 1k0s n ILE 71 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1k0s h SER 72 N -0.40 0.85 -0.85 7.28 0.87 -1.89 -3.44 113.55 115.98 1k0s h SER 72 Ca 0.01 0.04 -0.40 0.00 -1.23 0.00 0.00 61.79 60.21 1k0s h SER 72 Cb 1.09 -0.13 0.08 0.00 -0.44 0.00 0.00 62.40 63.00 1k0s h SER 72 CO 0.00 0.46 -0.47 0.33 -0.53 0.00 0.00 176.83 176.62 1k0s n PHE 73 N -4.59 -0.85 -2.41 2.24 7.35 -1.25 -4.92 117.46 113.02 1k0s n PHE 73 Ca 0.18 0.48 -0.02 0.00 -0.76 0.00 0.00 57.45 57.33 1k0s n PHE 73 Cb 0.37 -1.15 0.05 0.00 0.35 0.00 0.00 39.48 39.10 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 1.35 -0.89 -3.65 -2.13 2.03 -1.26 -4.95 116.55 107.05 1k0s n ASP 74 Ca 0.09 -1.68 -0.27 0.00 0.52 0.00 0.00 54.79 53.45 1k0s n ASP 74 Cb 0.21 0.39 0.04 0.00 -0.72 0.00 0.00 41.12 41.03 1k0s n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1k0s n GLU 75 N -0.76 -5.76 -0.12 -0.67 1.02 -1.26 -4.90 120.64 108.19 1k0s n GLU 75 Ca -0.14 0.68 -0.24 0.00 -0.02 0.00 0.00 57.16 57.44 1k0s n GLU 75 Cb 0.70 -5.59 -0.10 0.00 -0.02 0.00 0.00 31.44 26.43 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 -4.56 0.57 -0.02 3.49 10.64 -1.26 -4.75 117.38 121.49 1k0s n GLN 76 Ca 0.01 0.45 0.00 0.00 -1.83 0.00 0.00 57.00 55.63 1k0s n GLN 76 Cb 0.55 -1.64 -0.07 0.00 -0.86 0.00 0.00 30.24 28.21 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 -4.37 1.42 -1.12 2.61 4.01 -1.26 -5.06 118.16 114.39 1k0s n LYS 77 Ca -0.40 -0.05 -0.37 0.00 -0.51 0.00 0.00 58.31 56.98 1k0s n LYS 77 Cb 0.75 -1.23 -0.01 0.00 -0.51 0.00 0.00 35.03 34.02 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N -2.08 0.00 0.00 1.97 2.81 -1.26 -4.69 117.12 113.87 1k0s n MET 78 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1k0s n MET 78 Cb 0.52 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 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 0.99 0.00 -1.63 0.03 5.02 0.23 -4.82 118.16 117.98 1k0s n LYS 79 Ca 0.12 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.26 1k0s n LYS 79 Cb 0.28 -0.01 0.09 0.00 -0.02 0.00 0.00 35.03 35.37 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k0s n SER 80 N -1.64 0.61 -3.85 4.39 2.88 0.21 -4.14 113.62 112.08 1k0s n SER 80 Ca 0.00 -1.58 -0.11 0.00 -1.33 0.00 0.00 58.87 55.85 1k0s n SER 80 Cb 0.00 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 62.91 1k0s n SER 80 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1k0s s ILE 81 N -2.10 0.11 0.04 2.46 1.01 0.48 -0.43 121.20 122.77 1k0s s ILE 81 Ca 0.42 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1k0s s ILE 81 Cb -0.02 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 1k0s s ILE 81 CO 0.29 -0.48 -0.26 -0.63 0.00 0.00 0.00 174.94 173.86 1k0s s ILE 82 N -2.42 2.07 0.10 2.92 1.01 0.21 0.46 121.20 125.54 1k0s s ILE 82 Ca -0.06 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.32 1k0s s ILE 82 Cb -0.02 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1k0s s ILE 82 CO -0.03 0.37 -0.06 -0.69 0.00 0.00 0.00 174.94 174.52 1k0s s VAL 83 N -0.78 3.60 0.31 2.92 1.01 0.86 -0.99 120.40 127.33 1k0s s VAL 83 Ca 0.11 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1k0s s VAL 83 Cb -0.10 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.60 1k0s s VAL 83 CO 0.02 0.12 0.58 0.00 0.00 0.00 0.00 175.10 175.81 1k0s s ALA 84 N -1.25 -0.19 -0.03 5.51 0.00 0.23 -1.38 121.76 124.65 1k0s s ALA 84 Ca 0.23 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1k0s s ALA 84 Cb -0.11 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1k0s s ALA 84 CO 0.15 -0.89 -0.03 -0.98 0.00 0.00 0.00 175.76 174.01 1k0s s ARG 85 N -3.35 0.59 -0.21 0.00 1.70 -0.92 0.29 118.95 117.05 1k0s s ARG 85 Ca 0.22 -0.07 -0.04 0.00 -0.47 0.00 0.00 55.73 55.37 1k0s s ARG 85 Cb -0.02 -0.64 0.10 0.00 -0.57 0.00 0.00 34.95 33.82 1k0s s ARG 85 CO 0.12 -0.05 0.23 0.95 -1.08 0.00 0.00 175.30 175.48 1k0s s THR 86 N 0.70 -0.34 -1.43 4.99 -4.23 0.37 -4.79 115.64 110.92 1k0s s THR 86 Ca -0.08 -0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1k0s s THR 86 Cb -0.12 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1k0s s THR 86 CO -0.00 -0.22 0.39 1.17 -0.54 0.00 0.00 174.62 175.42 1k0s n LYS 87 N 5.32 -3.09 -2.26 3.99 3.00 -1.26 -0.32 118.16 123.54 1k0s n LYS 87 Ca -0.05 0.38 -0.07 0.00 -0.00 0.00 0.00 58.31 58.56 1k0s n LYS 87 Cb 0.49 -4.46 0.00 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 -2.97 -2.85 -3.87 3.14 9.92 -1.26 -5.02 116.55 113.64 1k0s n ASP 88 Ca -0.30 -0.04 -0.30 0.00 -0.53 0.00 0.00 54.79 53.62 1k0s n ASP 88 Cb 0.68 -2.05 -0.16 0.00 -0.64 0.00 0.00 41.12 38.95 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 -2.48 1.24 -0.70 2.53 1.01 0.56 -5.06 120.40 117.49 1k0s s VAL 89 Ca 0.03 -1.12 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 1k0s s VAL 89 Cb -0.01 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.82 1k0s s VAL 89 CO 0.04 -0.21 0.98 -1.61 0.00 0.00 0.00 175.10 174.31 1k0s s GLU 90 N 1.51 3.18 0.40 2.72 8.01 -1.25 0.14 118.70 133.42 1k0s s GLU 90 Ca -0.02 -0.98 -0.06 0.00 0.01 0.00 0.00 54.97 53.91 1k0s s GLU 90 Cb -0.18 -4.34 -0.05 0.00 -4.31 0.00 0.00 34.13 25.25 1k0s s GLU 90 CO -0.09 -1.81 0.71 0.08 0.01 0.00 0.00 175.26 174.16 1k0s s VAL 91 N 3.84 4.91 0.02 2.63 1.01 0.15 -3.51 120.40 129.46 1k0s s VAL 91 Ca 0.23 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 1k0s s VAL 91 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1k0s s VAL 91 CO 0.07 -0.61 -0.02 -0.83 0.00 0.00 0.00 175.10 173.71 1k0s s GLY 92 N -3.60 0.26 -0.02 4.51 0.00 -0.34 0.77 107.32 108.89 1k0s s GLY 92 Ca 0.47 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 1k0s s GLY 92 CO 0.37 -0.72 0.04 -0.12 0.00 0.00 0.00 173.10 172.67 1k0s s PHE 93 N -1.76 -0.02 -0.34 1.90 5.36 -0.16 -1.01 117.98 121.96 1k0s s PHE 93 Ca -0.13 0.15 -0.22 0.00 -0.96 0.00 0.00 56.93 55.77 1k0s s PHE 93 Cb -0.08 -0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 1k0s s PHE 93 CO -0.02 -0.07 0.72 -1.17 -1.46 0.00 0.00 175.22 173.22 1k0s s LEU 94 N 0.62 4.16 0.00 6.12 2.96 -0.88 0.63 118.68 132.29 1k0s s LEU 94 Ca -0.05 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1k0s s LEU 94 Cb -0.07 -2.94 -0.00 0.00 0.50 0.00 0.00 46.19 43.68 1k0s s LEU 94 CO -0.02 -0.63 0.02 1.33 -1.32 0.00 0.00 176.35 175.73 1k0s n VAL 95 N 5.62 0.00 -0.09 1.68 0.24 0.43 -4.71 118.33 121.50 1k0s n VAL 95 Ca 0.01 -1.28 -0.09 0.00 -2.04 0.00 0.00 64.34 60.95 1k0s n VAL 95 Cb 0.48 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.30 1.93 -3.61 -1.34 2.03 -1.26 0.77 116.55 113.77 1k0s n ASP 96 Ca -0.09 0.33 -0.22 0.00 0.52 0.00 0.00 54.79 55.32 1k0s n ASP 96 Cb 0.34 -0.74 -0.16 0.00 -0.72 0.00 0.00 41.12 39.84 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 -2.90 0.05 -0.39 -0.67 3.52 -1.26 -3.69 118.95 113.61 1k0s s ARG 97 Ca -0.29 0.14 -0.15 0.00 -0.13 0.00 0.00 55.73 55.31 1k0s s ARG 97 Cb 0.04 -1.25 0.01 0.00 -1.56 0.00 0.00 34.95 32.19 1k0s s ARG 97 CO 0.43 -0.55 0.29 0.54 -0.81 0.00 0.00 175.30 175.20 1k0s s VAL 98 N 2.20 5.26 0.47 7.11 0.11 -1.26 0.22 120.40 134.51 1k0s s VAL 98 Ca 0.04 -0.53 0.19 0.00 -2.93 0.00 0.00 61.98 58.74 1k0s s VAL 98 Cb -0.15 -3.89 0.24 0.00 -1.53 0.00 0.00 36.38 31.06 1k0s s VAL 98 CO -0.08 -0.25 2.07 -0.07 -3.33 0.00 0.00 175.10 173.44 1k0s h LEU 99 N 8.62 0.00 0.00 2.54 -0.00 -0.51 -3.47 115.31 122.49 1k0s h LEU 99 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1k0s h LEU 99 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1k0s h LEU 99 CO 0.71 0.12 0.00 0.61 -0.00 0.00 0.00 178.44 179.88 1k0s n GLY 100 N -1.09 1.36 3.66 0.83 0.00 -0.26 -4.90 105.19 104.78 1k0s n GLY 100 Ca -0.03 -0.83 -0.46 0.00 0.00 0.00 0.00 46.02 44.70 1k0s n GLY 100 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k0s n VAL 101 N 0.00 0.36 -4.07 1.61 3.14 -1.25 -0.22 118.33 117.90 1k0s n VAL 101 Ca 0.00 -0.09 -0.14 0.00 -2.96 0.00 0.00 64.34 61.15 1k0s n VAL 101 Cb 0.00 -1.39 -0.13 0.00 -1.06 0.00 0.00 33.84 31.25 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1k0s s LEU 102 N 0.57 2.08 -1.22 6.55 2.96 0.31 -4.78 118.68 125.15 1k0s s LEU 102 Ca 0.76 -0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 54.32 1k0s s LEU 102 Cb -0.71 -0.17 0.16 0.00 0.50 0.00 0.00 46.19 45.98 1k0s s LEU 102 CO 0.44 -0.03 1.47 -2.11 -1.32 0.00 0.00 176.35 174.79 1k0s n ARG 103 N 2.55 3.36 -2.42 1.98 1.85 -1.26 -1.75 116.66 120.97 1k0s n ARG 103 Ca -0.16 -3.80 -0.25 0.00 -1.00 0.00 0.00 57.85 52.64 1k0s n ARG 103 Cb 0.58 -3.08 0.14 0.00 -1.05 0.00 0.00 32.46 29.05 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 1.76 2.05 0.23 8.89 -1.09 0.12 -4.86 121.20 128.31 1k0s s ILE 104 Ca 0.44 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1k0s s ILE 104 Cb -0.02 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 1k0s s ILE 104 CO 0.01 0.00 0.13 0.35 -1.23 0.00 0.00 174.94 174.20 1k0s n THR 105 N -3.13 0.00 -3.45 2.92 -2.24 -1.26 0.12 114.28 107.24 1k0s n THR 105 Ca 0.16 -1.46 -0.27 0.00 -2.27 0.00 0.00 64.05 60.21 1k0s n THR 105 Cb 0.60 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.48 0.51 -0.20 -0.78 2.13 -1.26 -4.54 120.64 116.02 1k0s n GLU 106 Ca 0.00 -3.40 0.09 0.00 0.66 0.00 0.00 57.16 54.52 1k0s n GLU 106 Cb 0.37 -1.73 0.16 0.00 0.27 0.00 0.00 31.44 30.50 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 2.56 2.22 0.00 4.31 5.03 -1.26 -4.62 115.26 123.50 1k0s n ASN 107 Ca 0.28 -3.28 0.00 0.00 0.87 0.00 0.00 54.58 52.45 1k0s n ASN 107 Cb 0.46 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1k0s n ASN 107 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1k0s n GLN 108 N -1.36 1.90 0.00 3.52 10.64 -1.26 -4.88 117.38 125.94 1k0s n GLN 108 Ca 0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 1k0s n GLN 108 Cb 0.66 -0.25 0.00 0.00 -0.86 0.00 0.00 30.24 29.79 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 -0.18 0.00 -0.08 2.61 4.32 -1.26 -1.16 117.00 121.25 1k0s n LEU 109 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 1k0s n LEU 109 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1k0s n LEU 109 CO 0.00 -0.94 0.63 -0.78 -1.22 0.00 0.00 177.39 175.08 1k0s h ASP 110 N -0.88 0.58 -0.08 -1.43 3.58 -1.95 -2.67 116.42 113.56 1k0s h ASP 110 Ca 0.00 -0.44 0.04 0.00 0.42 0.00 0.00 57.03 57.05 1k0s h ASP 110 Cb 0.00 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 40.84 1k0s h ASP 110 CO 0.00 0.90 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.98 1k0s h LEU 111 N 0.27 -0.63 -2.71 2.28 3.38 -1.95 0.70 115.31 116.66 1k0s h LEU 111 Ca 0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1k0s h LEU 111 Cb 0.70 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1k0s h LEU 111 CO 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 178.44 178.31 1k0s h THR 112 N -0.29 0.21 -2.30 0.22 1.03 -1.82 -3.46 112.91 106.51 1k0s h THR 112 Ca 0.09 -0.05 -0.05 0.00 -0.01 0.00 0.00 66.41 66.38 1k0s h THR 112 Cb 0.41 1.04 0.02 0.00 -1.07 0.00 0.00 68.15 68.55 1k0s h THR 112 CO -0.25 0.01 -0.11 0.59 -0.01 0.00 0.00 175.52 175.74 1k0s n ASN 113 N -3.37 -2.23 -2.71 0.00 3.02 0.24 -4.95 115.26 105.27 1k0s n ASN 113 Ca -0.03 -0.09 -0.05 0.00 -0.03 0.00 0.00 54.58 54.38 1k0s n ASN 113 Cb 0.09 -1.21 0.09 0.00 -0.61 0.00 0.00 39.78 38.14 1k0s n ASN 113 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k0s n VAL 114 N -1.94 0.45 -0.69 2.41 0.31 -1.02 -5.00 118.33 112.85 1k0s n VAL 114 Ca -0.03 -1.96 -0.06 0.00 -0.01 0.00 0.00 64.34 62.28 1k0s n VAL 114 Cb 0.52 0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 34.35 1k0s n VAL 114 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1k0s n SER 115 N -0.74 4.73 0.16 4.52 7.64 -0.31 -4.43 113.62 125.19 1k0s n SER 115 Ca -0.03 -2.32 -0.14 0.00 1.01 0.00 0.00 58.87 57.39 1k0s n SER 115 Cb 0.84 -1.15 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 1k0s n SER 115 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1k0s h ASP 116 N 2.40 -0.32 -4.55 6.43 5.19 -1.92 -3.49 116.42 120.15 1k0s h ASP 116 Ca 0.09 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1k0s h ASP 116 Cb 1.15 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1k0s h ASP 116 CO 0.14 -0.04 -0.92 0.29 -3.12 0.00 0.00 179.24 175.59 1k0s n LYS 117 N -5.16 -5.00 -1.56 3.56 5.02 -1.26 -4.29 118.16 109.48 1k0s n LYS 117 Ca -0.10 3.63 -0.19 0.00 -2.02 0.00 0.00 58.31 59.63 1k0s n LYS 117 Cb 0.24 -4.37 -0.08 0.00 -0.02 0.00 0.00 35.03 30.79 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 1.74 -0.08 0.00 2.13 7.35 -1.25 -0.88 117.46 126.46 1k0s n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1k0s n PHE 118 Cb 0.00 -3.29 0.00 0.00 0.35 0.00 0.00 39.48 36.54 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 -0.36 0.89 2.41 7.13 0.00 -1.26 -3.84 105.19 110.16 1k0s n GLY 119 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1k0s n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k0s n LYS 120 N 0.00 1.18 0.00 1.61 5.02 -1.15 -5.00 118.16 119.81 1k0s n LYS 120 Ca 0.00 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.77 1k0s n LYS 120 Cb 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k0s n LYS 121 N -1.14 0.00 0.00 1.97 4.81 -0.06 -5.11 118.16 118.64 1k0s n LYS 121 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1k0s n LYS 121 Cb 0.85 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.90 1k0s n LYS 121 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k0s n SER 122 N 0.00 0.00 -2.95 3.14 7.64 -1.14 -4.66 113.62 115.65 1k0s n SER 122 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1k0s n SER 122 Cb 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1k0s n SER 122 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1k0s n LYS 123 N -2.04 0.00 -1.63 1.43 4.01 -1.24 -3.92 118.16 114.78 1k0s n LYS 123 Ca 0.00 -0.20 -0.49 0.00 -0.51 0.00 0.00 58.31 57.11 1k0s n LYS 123 Cb 0.00 -1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 32.98 1k0s n LYS 123 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1k0s n GLY 124 N 3.13 0.77 3.70 0.72 0.00 0.31 -3.89 105.19 109.93 1k0s n GLY 124 Ca 0.00 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.27 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 0.67 4.34 0.19 0.99 1.98 -1.26 -0.15 118.68 125.44 1k0s s LEU 125 Ca 0.81 2.16 0.10 0.00 -2.89 0.00 0.00 54.13 54.31 1k0s s LEU 125 Cb -0.82 -3.57 -0.04 0.00 0.66 0.00 0.00 46.19 42.42 1k0s s LEU 125 CO 0.43 -0.66 -0.20 0.54 -1.89 0.00 0.00 176.35 174.57 1k0s s VAL 126 N 1.79 2.05 -0.13 1.68 0.11 0.26 -4.91 120.40 121.25 1k0s s VAL 126 Ca 0.63 -2.03 -0.20 0.00 -2.93 0.00 0.00 61.98 57.45 1k0s s VAL 126 Cb -0.33 -1.99 0.05 0.00 -1.53 0.00 0.00 36.38 32.58 1k0s s VAL 126 CO 0.28 -0.28 0.52 -1.59 -3.33 0.00 0.00 175.10 170.69 1k0s s LYS 127 N -2.89 0.72 -0.17 1.54 -2.85 -1.26 -0.40 119.74 114.43 1k0s s LYS 127 Ca 0.19 0.46 -0.16 0.00 -1.00 0.00 0.00 55.97 55.47 1k0s s LYS 127 Cb -0.06 0.34 0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1k0s s LYS 127 CO 0.09 -0.15 0.45 0.99 0.10 0.00 0.00 175.35 176.83 1k0s s THR 128 N -0.32 0.00 -1.50 3.79 2.01 -0.74 -4.90 115.64 113.98 1k0s s THR 128 Ca -0.05 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1k0s s THR 128 Cb -0.03 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.87 1k0s s THR 128 CO 0.03 -0.00 0.34 -0.90 -0.69 0.00 0.00 174.62 173.41 1k0s n ASP 129 N 2.83 -0.35 -3.60 3.53 5.68 -1.26 -0.10 116.55 123.29 1k0s n ASP 129 Ca -0.13 -1.10 -0.23 0.00 -0.50 0.00 0.00 54.79 52.83 1k0s n ASP 129 Cb 0.57 -2.52 0.08 0.00 -1.14 0.00 0.00 41.12 38.10 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 -2.06 -0.50 3.06 6.12 0.00 -1.26 -5.00 105.19 105.55 1k0s n GLY 130 Ca -0.25 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -6.14 1.18 0.06 1.61 1.70 0.86 -5.14 118.95 113.09 1k0s s ARG 131 Ca 0.45 -0.42 -0.20 0.00 -0.47 0.00 0.00 55.73 55.09 1k0s s ARG 131 Cb -0.20 -1.09 -0.06 0.00 -0.57 0.00 0.00 34.95 33.02 1k0s s ARG 131 CO 0.74 0.19 0.59 -0.51 -1.08 0.00 0.00 175.30 175.23 1k0s s LEU 132 N 0.01 4.50 -0.14 -1.89 1.02 -1.26 -1.79 118.68 119.13 1k0s s LEU 132 Ca -0.01 1.25 -0.24 0.00 0.02 0.00 0.00 54.13 55.16 1k0s s LEU 132 Cb -0.08 -2.92 0.06 0.00 0.02 0.00 0.00 46.19 43.26 1k0s s LEU 132 CO 0.01 0.22 0.59 -0.63 0.02 0.00 0.00 176.35 176.56 1k0s s ILE 133 N -0.85 0.01 0.01 -0.59 1.01 0.47 -1.58 121.20 119.68 1k0s s ILE 133 Ca 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1k0s s ILE 133 Cb -0.19 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1k0s s ILE 133 CO 0.19 -0.04 0.20 -0.63 0.00 0.00 0.00 174.94 174.66 1k0s s ILE 134 N -0.40 5.41 0.02 2.92 1.09 0.17 0.89 121.20 131.30 1k0s s ILE 134 Ca -0.05 -0.17 -0.02 0.00 -1.10 0.00 0.00 60.65 59.30 1k0s s ILE 134 Cb -0.03 -3.56 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 1k0s s ILE 134 CO 0.04 0.29 0.02 -0.47 -0.10 0.00 0.00 174.94 174.72 1k0s s TYR 135 N -1.37 0.23 -0.16 3.97 5.04 0.79 0.68 117.35 126.53 1k0s s TYR 135 Ca 0.29 -0.49 -0.30 0.00 -2.44 0.00 0.00 57.07 54.13 1k0s s TYR 135 Cb -0.13 -0.17 0.13 0.00 0.35 0.00 0.00 41.96 42.14 1k0s s TYR 135 CO 0.20 -0.24 1.00 -0.48 -1.34 0.00 0.00 175.55 174.70 1k0s s LEU 136 N -1.62 -0.36 -0.39 6.97 -0.00 -0.64 0.12 118.68 122.75 1k0s s LEU 136 Ca -0.13 0.37 0.02 0.00 -0.00 0.00 0.00 54.13 54.39 1k0s s LEU 136 Cb -0.07 1.84 0.47 0.00 -0.00 0.00 0.00 46.19 48.42 1k0s s LEU 136 CO -0.01 -0.35 1.79 -0.67 -0.00 0.00 0.00 176.35 177.11 1k0s n ASP 137 N 0.66 4.56 -1.46 1.48 2.03 -1.26 -2.22 116.55 120.33 1k0s n ASP 137 Ca -0.10 -3.29 0.00 0.00 0.52 0.00 0.00 54.79 51.92 1k0s n ASP 137 Cb 0.58 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0s n ILE 138 N -0.65 0.00 0.05 5.18 3.06 -1.26 -4.78 119.36 120.97 1k0s n ILE 138 Ca 0.46 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.65 1k0s n ILE 138 Cb 1.19 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 41.33 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 -0.20 0.76 9.51 3.58 -1.96 -2.65 116.42 125.45 1k0s h ASP 139 Ca 0.00 -0.13 -0.21 0.00 0.42 0.00 0.00 57.03 57.11 1k0s h ASP 139 Cb 0.35 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1k0s h ASP 139 CO 0.00 0.32 -0.99 0.11 -2.88 0.00 0.00 179.24 175.80 1k0s h LYS 140 N -1.03 0.12 -0.32 0.28 1.79 -1.86 -2.56 116.57 112.99 1k0s h LYS 140 Ca -0.02 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 1k0s h LYS 140 Cb 0.32 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1k0s h LYS 140 CO 0.04 1.01 0.05 0.97 -1.08 0.00 0.00 179.45 180.44 1k0s h ILE 141 N 0.05 1.23 -0.22 1.86 -0.00 -1.92 -2.28 117.51 116.22 1k0s h ILE 141 Ca -0.05 -0.82 -0.03 0.00 -0.00 0.00 0.00 64.86 63.97 1k0s h ILE 141 Cb 1.68 1.14 -0.01 0.00 -0.00 0.00 0.00 36.82 39.64 1k0s h ILE 141 CO 0.14 0.27 0.03 -0.29 -0.00 0.00 0.00 178.15 178.30 1k0s h ILE 142 N 0.36 1.24 -0.97 2.19 6.09 -1.52 -1.95 117.51 122.95 1k0s h ILE 142 Ca 0.10 -0.79 0.24 0.00 -1.37 0.00 0.00 64.86 63.03 1k0s h ILE 142 Cb 0.35 1.32 -0.12 0.00 0.47 0.00 0.00 36.82 38.84 1k0s h ILE 142 CO 0.01 0.25 0.53 -0.33 -3.07 0.00 0.00 178.15 175.54 1k0s h GLU 143 N 0.17 0.52 -0.31 2.19 5.08 -1.34 0.81 114.58 121.69 1k0s h GLU 143 Ca 0.07 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1k0s h GLU 143 Cb 0.34 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1k0s h GLU 143 CO 0.01 0.34 -0.32 0.93 -1.00 0.00 0.00 179.01 178.97 1k0s h GLU 144 N 0.53 0.68 -0.91 2.33 5.08 -1.12 -2.14 114.58 119.03 1k0s h GLU 144 Ca 0.62 -0.31 0.13 0.00 -1.00 0.00 0.00 59.36 58.80 1k0s h GLU 144 Cb 1.16 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1k0s h GLU 144 CO -0.49 0.91 0.53 0.82 -1.00 0.00 0.00 179.01 179.78 1k0s h ILE 145 N 0.58 0.83 0.00 3.13 2.04 0.14 0.48 117.51 124.71 1k0s h ILE 145 Ca 0.06 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1k0s h ILE 145 Cb 0.83 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1k0s h ILE 145 CO 0.07 0.15 -0.01 0.71 0.00 0.00 0.00 178.15 179.07 1k0s h THR 146 N 0.80 1.66 0.00 -0.27 1.35 -1.20 -3.26 112.91 111.99 1k0s h THR 146 Ca 0.47 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1k0s h THR 146 Cb 0.55 2.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1k0s h THR 146 CO -0.30 0.51 0.00 0.55 -0.25 0.00 0.00 175.52 176.02 1k0s n VAL 147 N -4.69 0.00 -0.29 6.82 3.14 -0.82 -3.96 118.33 118.53 1k0s n VAL 147 Ca -0.10 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.40 1k0s n VAL 147 Cb 0.41 -0.52 0.27 0.00 -1.06 0.00 0.00 33.84 32.94 1k0s n VAL 147 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1k0s h LYS 148 N 0.00 0.22 -6.88 1.45 2.10 -0.08 -3.40 116.57 109.98 1k0s h LYS 148 Ca 0.00 -0.01 -0.53 0.00 -2.00 0.00 0.00 60.65 58.10 1k0s h LYS 148 Cb 0.00 -0.05 0.09 0.00 -0.90 0.00 0.00 32.23 31.37 1k0s h LYS 148 CO 0.00 0.15 0.80 -1.83 -2.00 0.00 0.00 179.45 176.57 1k0s s GLU 149 N -5.95 4.14 0.00 0.07 -1.05 -1.25 -4.69 118.70 109.96 1k0s s GLU 149 Ca -0.12 2.53 0.00 0.00 -0.15 0.00 0.00 54.97 57.23 1k0s s GLU 149 Cb 0.25 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.94 1k0s s GLU 149 CO 0.77 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.86 1k0s n GLY 150 N 1.16 -0.03 2.47 -3.83 0.00 -1.26 -5.14 105.19 98.56 1k0s n GLY 150 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1k0s n GLY 150 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87