#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 0.84 0.00 2.12 1.79 -2.06 -3.46 116.57 115.80 1k0s h LYS 2 Ca 0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1k0s h LYS 2 Cb 0.00 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1k0s h LYS 2 CO 0.00 0.77 0.00 2.41 -1.08 0.00 0.00 179.45 181.55 1k0s n THR 3 N -4.46 0.00 0.11 -0.16 -1.04 -1.26 -4.51 114.28 102.96 1k0s n THR 3 Ca 0.02 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.20 1k0s n THR 3 Cb 0.20 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.43 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 0.00 -9.50 -4.42 8.10 -1.95 -3.43 115.31 104.12 1k0s h LEU 4 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.39 1k0s h LEU 4 Cb 0.00 0.00 0.07 0.00 -0.44 0.00 0.00 40.66 40.29 1k0s h LEU 4 CO 0.00 0.00 0.67 0.00 -4.11 0.00 0.00 178.44 175.00 1k0s n ALA 5 N -2.53 0.91 -1.88 0.17 0.00 -1.26 -4.43 120.51 111.48 1k0s n ALA 5 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1k0s n ALA 5 Cb 0.44 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1k0s n ALA 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k0s n ASP 6 N 2.80 -8.67 -4.75 0.00 8.00 -1.26 -4.86 116.55 107.80 1k0s n ASP 6 Ca 0.15 1.27 -0.41 0.00 0.71 0.00 0.00 54.79 56.51 1k0s n ASP 6 Cb 0.28 -4.74 -0.02 0.00 -0.02 0.00 0.00 41.12 36.62 1k0s n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k0s s ALA 7 N -1.01 3.61 -0.09 2.24 0.00 -1.26 -4.89 121.76 120.35 1k0s s ALA 7 Ca 0.00 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 1k0s s ALA 7 Cb 0.00 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 1k0s s ALA 7 CO 0.00 -0.74 3.12 1.28 0.00 0.00 0.00 175.76 179.42 1k0s n LEU 8 N 2.03 5.53 -0.07 0.00 4.77 -1.26 -4.39 117.00 123.60 1k0s n LEU 8 Ca 0.06 -3.20 -0.11 0.00 -0.03 0.00 0.00 56.01 52.72 1k0s n LEU 8 Cb 0.40 -1.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.09 1k0s n LEU 8 CO 0.60 1.56 0.06 0.50 -1.33 0.00 0.00 177.39 178.79 1k0s h LYS 9 N 2.58 0.00 -5.84 3.23 1.63 -1.90 -3.30 116.57 112.96 1k0s h LYS 9 Ca 0.20 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.42 1k0s h LYS 9 Cb 1.27 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.76 1k0s h LYS 9 CO 0.33 0.66 -0.69 -1.21 -3.45 0.00 0.00 179.45 175.09 1k0s s GLU 10 N -2.08 1.72 -0.26 1.90 2.02 -1.26 -3.07 118.70 117.67 1k0s s GLU 10 Ca -0.16 -1.87 -0.21 0.00 0.02 0.00 0.00 54.97 52.76 1k0s s GLU 10 Cb -0.00 -1.55 0.07 0.00 0.10 0.00 0.00 34.13 32.75 1k0s s GLU 10 CO 0.46 0.13 0.67 0.12 0.02 0.00 0.00 175.26 176.66 1k0s s PHE 11 N -2.72 -0.83 0.10 1.61 5.36 0.27 -4.69 117.98 117.08 1k0s s PHE 11 Ca 0.31 1.88 -0.19 0.00 -0.96 0.00 0.00 56.93 57.97 1k0s s PHE 11 Cb 0.02 0.36 -0.07 0.00 -0.34 0.00 0.00 43.02 42.99 1k0s s PHE 11 CO 0.15 -0.40 0.59 -1.21 -1.46 0.00 0.00 175.22 172.89 1k0s s GLU 12 N 0.77 4.21 0.29 10.12 2.02 -1.26 0.36 118.70 135.21 1k0s s GLU 12 Ca -0.03 0.76 -0.18 0.00 0.02 0.00 0.00 54.97 55.53 1k0s s GLU 12 Cb -0.05 -3.19 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1k0s s GLU 12 CO -0.06 0.60 0.67 0.54 0.02 0.00 0.00 175.26 177.04 1k0s s VAL 13 N -1.17 0.00 -0.05 2.63 0.11 -0.33 -4.58 120.40 117.01 1k0s s VAL 13 Ca 0.31 -1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.05 1k0s s VAL 13 Cb -0.19 -2.16 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 1k0s s VAL 13 CO 0.20 0.00 0.60 -0.22 -3.33 0.00 0.00 175.10 172.35 1k0s s LEU 14 N -2.97 4.35 0.05 2.54 1.98 -0.81 0.15 118.68 123.97 1k0s s LEU 14 Ca 0.14 1.09 -0.05 0.00 -2.89 0.00 0.00 54.13 52.42 1k0s s LEU 14 Cb -0.05 -2.92 -0.01 0.00 0.66 0.00 0.00 46.19 43.86 1k0s s LEU 14 CO 0.08 0.00 0.09 -0.94 -1.89 0.00 0.00 176.35 173.70 1k0s s SER 15 N 0.34 0.23 0.10 3.68 1.04 0.60 -0.84 113.70 118.84 1k0s s SER 15 Ca 0.32 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 1k0s s SER 15 Cb -0.17 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1k0s s SER 15 CO 0.16 -0.57 0.39 0.72 0.98 0.00 0.00 173.24 174.92 1k0s s PHE 16 N -3.13 -0.20 -0.16 5.02 -0.71 -0.15 0.14 117.98 118.79 1k0s s PHE 16 Ca -0.01 -0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.64 1k0s s PHE 16 Cb 0.02 0.23 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 1k0s s PHE 16 CO -0.07 -0.65 0.64 -2.00 -1.34 0.00 0.00 175.22 171.80 1k0s s GLU 17 N -3.39 4.28 -0.79 1.99 2.12 0.13 -1.75 118.70 121.29 1k0s s GLU 17 Ca 0.00 0.68 0.01 0.00 0.36 0.00 0.00 54.97 56.03 1k0s s GLU 17 Cb 0.01 -3.54 0.19 0.00 0.26 0.00 0.00 34.13 31.06 1k0s s GLU 17 CO -0.09 -0.15 0.62 0.42 -0.54 0.00 0.00 175.26 175.53 1k0s s ILE 18 N 1.58 3.64 -1.11 -3.70 -1.09 0.28 -3.96 121.20 116.84 1k0s s ILE 18 Ca 0.31 -4.00 -0.17 0.00 -2.23 0.00 0.00 60.65 54.56 1k0s s ILE 18 Cb -0.16 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1k0s s ILE 18 CO 0.12 -1.03 0.82 0.47 -1.23 0.00 0.00 174.94 174.09 1k0s n ASP 19 N 2.24 -5.69 0.00 3.58 9.92 -1.26 -1.68 116.55 123.66 1k0s n ASP 19 Ca 0.20 -0.93 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 1k0s n ASP 19 Cb 0.36 -3.82 0.00 0.00 -0.64 0.00 0.00 41.12 37.02 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 -3.91 0.00 -3.23 -1.24 4.71 -1.26 -4.70 120.64 111.01 1k0s n GLU 20 Ca -0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.68 1k0s n GLU 20 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.97 1k0s n GLU 20 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1k0s s GLN 21 N 0.00 4.27 0.36 3.49 2.00 -0.68 -4.96 119.66 124.15 1k0s s GLN 21 Ca 0.00 0.76 -0.08 0.00 -2.00 0.00 0.00 55.36 54.04 1k0s s GLN 21 Cb 0.00 -3.28 -0.06 0.00 0.80 0.00 0.00 33.01 30.47 1k0s s GLN 21 CO 0.00 0.52 0.69 0.00 -0.50 0.00 0.00 175.29 176.00 1k0s s ALA 22 N -0.71 3.46 -0.10 1.58 0.00 -0.99 0.99 121.76 125.98 1k0s s ALA 22 Ca 0.30 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 1k0s s ALA 22 Cb -0.19 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.42 1k0s s ALA 22 CO 0.19 0.07 0.29 -1.17 0.00 0.00 0.00 175.76 175.13 1k0s s LEU 23 N -3.79 0.90 0.05 0.00 2.96 -0.72 -0.10 118.68 117.98 1k0s s LEU 23 Ca 0.48 0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1k0s s LEU 23 Cb -0.10 1.01 -0.01 0.00 0.50 0.00 0.00 46.19 47.59 1k0s s LEU 23 CO 0.32 -0.13 0.14 0.00 -1.32 0.00 0.00 176.35 175.35 1k0s s ALA 24 N 0.03 -0.15 0.00 5.97 0.00 0.21 -0.98 121.76 126.84 1k0s s ALA 24 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1k0s s ALA 24 Cb -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1k0s s ALA 24 CO 0.01 -0.37 -0.05 -0.06 0.00 0.00 0.00 175.76 175.29 1k0s s PHE 25 N -2.87 0.44 -0.18 0.00 0.40 -0.02 -1.30 117.98 114.45 1k0s s PHE 25 Ca -0.03 -0.13 -0.37 0.00 -0.60 0.00 0.00 56.93 55.80 1k0s s PHE 25 Cb 0.00 -0.28 -0.14 0.00 0.51 0.00 0.00 43.02 43.11 1k0s s PHE 25 CO -0.06 -0.02 1.79 -3.47 0.70 0.00 0.00 175.22 174.17 1k0s n ASP 26 N 2.78 2.83 0.10 1.36 2.03 -0.94 -1.92 116.55 122.79 1k0s n ASP 26 Ca -0.14 1.03 0.07 0.00 0.52 0.00 0.00 54.79 56.27 1k0s n ASP 26 Cb 0.58 -1.24 0.36 0.00 -0.72 0.00 0.00 41.12 40.10 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1k0s n VAL 27 N 4.76 1.40 -0.08 5.18 0.24 -1.26 -2.01 118.33 126.56 1k0s n VAL 27 Ca 0.25 0.63 -0.10 0.00 -2.04 0.00 0.00 64.34 63.08 1k0s n VAL 27 Cb 0.20 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 30.92 1k0s n VAL 27 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1k0s h ASP 28 N 0.00 0.35 0.08 -1.34 3.32 -1.93 -3.28 116.42 113.62 1k0s h ASP 28 Ca 0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 57.03 56.69 1k0s h ASP 28 Cb 0.01 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1k0s h ASP 28 CO 0.00 0.37 -1.31 -1.13 -1.72 0.00 0.00 179.24 175.45 1k0s h ASN 29 N 0.32 0.27 -2.38 6.45 -1.24 -1.77 -3.46 115.58 113.76 1k0s h ASN 29 Ca 0.09 -0.80 -0.56 0.00 0.71 0.00 0.00 56.30 55.75 1k0s h ASN 29 Cb 0.10 -0.09 0.05 0.00 0.73 0.00 0.00 38.32 39.11 1k0s h ASN 29 CO -0.01 1.56 1.00 -0.38 -1.29 0.00 0.00 177.43 178.30 1k0s n ILE 30 N -4.06 0.22 0.03 2.57 2.08 -0.93 -3.15 119.36 116.12 1k0s n ILE 30 Ca -0.26 -0.04 -0.02 0.00 0.56 0.00 0.00 62.75 63.00 1k0s n ILE 30 Cb 0.83 -1.88 -0.01 0.00 -0.75 0.00 0.00 39.64 37.83 1k0s n ILE 30 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1k0s h GLU 31 N 7.52 -0.11 -2.09 0.38 5.08 -0.41 -3.45 114.58 121.52 1k0s h GLU 31 Ca -0.46 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1k0s h GLU 31 Cb 1.24 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.41 1k0s h GLU 31 CO 0.93 -0.07 0.58 0.00 -1.00 0.00 0.00 179.01 179.45 1k0s s MET 32 N -1.82 0.94 0.24 2.33 0.23 -1.21 -5.02 119.30 114.98 1k0s s MET 32 Ca -0.02 -0.50 -0.13 0.00 -1.03 0.00 0.00 55.69 54.01 1k0s s MET 32 Cb 0.00 0.33 -0.08 0.00 -1.53 0.00 0.00 34.83 33.55 1k0s s MET 32 CO 0.05 -0.43 0.62 0.14 -2.03 0.00 0.00 175.02 173.37 1k0s s VAL 33 N -3.03 4.81 -0.16 5.16 -7.23 -1.26 -1.86 120.40 116.83 1k0s s VAL 33 Ca 0.12 0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 60.96 1k0s s VAL 33 Cb 0.00 -3.66 0.06 0.00 0.56 0.00 0.00 36.38 33.34 1k0s s VAL 33 CO -0.00 -0.01 0.39 0.27 -0.31 0.00 0.00 175.10 175.43 1k0s s ILE 34 N -1.76 -0.09 -1.34 -0.62 -4.36 0.14 -4.97 121.20 108.20 1k0s s ILE 34 Ca 0.47 0.11 -0.07 0.00 -0.26 0.00 0.00 60.65 60.90 1k0s s ILE 34 Cb -0.12 -0.58 0.12 0.00 1.25 0.00 0.00 42.46 43.12 1k0s s ILE 34 CO 0.20 0.05 2.25 -1.84 0.24 0.00 0.00 174.94 175.84 1k0s n GLU 35 N 4.39 4.14 -3.11 0.37 0.28 -1.26 0.37 120.64 125.83 1k0s n GLU 35 Ca -0.22 -3.36 -0.30 0.00 -0.16 0.00 0.00 57.16 53.13 1k0s n GLU 35 Cb 0.54 -2.76 -0.03 0.00 1.43 0.00 0.00 31.44 30.62 1k0s n GLU 35 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1k0s s LYS 36 N -0.24 3.73 -0.11 3.44 1.02 -1.26 -4.92 119.74 121.40 1k0s s LYS 36 Ca 0.50 0.27 -0.17 0.00 0.02 0.00 0.00 55.97 56.58 1k0s s LYS 36 Cb 0.15 -2.52 0.04 0.00 -0.52 0.00 0.00 37.83 34.99 1k0s s LYS 36 CO -0.06 0.10 0.44 -1.54 -0.92 0.00 0.00 175.35 173.37 1k0s s SER 37 N -3.07 -0.41 -1.49 2.83 1.04 -1.26 -4.52 113.70 106.81 1k0s s SER 37 Ca 0.48 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 57.46 1k0s s SER 37 Cb -0.11 0.69 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1k0s s SER 37 CO 0.29 -0.31 0.70 -0.67 0.98 0.00 0.00 173.24 174.24 1k0s n ASP 38 N 2.10 -2.31 0.01 7.02 2.03 -1.26 -4.91 116.55 119.24 1k0s n ASP 38 Ca -0.17 -0.92 -0.00 0.00 0.52 0.00 0.00 54.79 54.22 1k0s n ASP 38 Cb 0.57 -3.36 -0.00 0.00 -0.72 0.00 0.00 41.12 37.61 1k0s n ASP 38 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1k0s h ILE 39 N -1.83 0.00 -1.03 5.18 2.04 -1.91 -3.43 117.51 116.54 1k0s h ILE 39 Ca -0.61 -0.00 -0.38 0.00 1.00 0.00 0.00 64.86 64.87 1k0s h ILE 39 Cb 1.37 0.00 -0.27 0.00 -0.74 0.00 0.00 36.82 37.18 1k0s h ILE 39 CO 0.66 0.00 -0.82 0.41 0.00 0.00 0.00 178.15 178.41 1k0s n THR 40 N -2.09 -0.27 -0.05 -0.27 -1.04 -1.26 -4.73 114.28 104.57 1k0s n THR 40 Ca -0.00 -2.89 -0.15 0.00 -2.04 0.00 0.00 64.05 58.96 1k0s n THR 40 Cb 0.01 0.01 -0.13 0.00 -1.82 0.00 0.00 70.33 68.40 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 3.67 0.05 -0.12 -2.82 0.13 -1.71 -3.26 132.00 127.94 1k0s h PRO 41 Ca -0.02 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 1k0s h PRO 41 Cb 0.98 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1k0s h PRO 41 CO 0.37 1.04 -0.37 0.28 -0.23 0.00 0.00 178.00 179.09 1k0s h VAL 42 N -0.90 1.37 0.00 1.56 2.07 -1.94 -3.17 116.25 115.24 1k0s h VAL 42 Ca -0.04 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1k0s h VAL 42 Cb 1.11 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1k0s h VAL 42 CO 0.02 0.50 0.00 -2.65 0.02 0.00 0.00 177.57 175.46 1k0s n PRO 43 N -4.34 0.50 -1.06 1.57 -0.02 -1.26 -4.88 135.00 125.52 1k0s n PRO 43 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1k0s n PRO 43 Cb 0.52 -1.07 0.08 0.00 -0.02 0.00 0.00 33.50 33.01 1k0s n PRO 43 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1k0s n LYS 44 N -0.57 0.03 0.00 -0.52 2.85 -1.20 -4.95 118.16 113.80 1k0s n LYS 44 Ca 0.02 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1k0s n LYS 44 Cb 0.01 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 32.75 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k0s n SER 45 N 0.23 0.00 -0.23 -5.58 2.88 -1.26 -5.01 113.62 104.66 1k0s n SER 45 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1k0s n SER 45 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1k0s n SER 45 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1k0s n ARG 46 N 0.00 0.00 -1.69 -1.46 3.00 -1.26 -5.11 116.66 110.13 1k0s n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1k0s n ARG 46 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1k0s n HIS 47 N 0.00 -4.04 0.00 -0.14 8.25 -1.26 -4.34 115.22 113.69 1k0s n HIS 47 Ca 0.00 2.14 0.00 0.00 -0.26 0.00 0.00 57.72 59.60 1k0s n HIS 47 Cb 0.34 -3.21 0.00 0.00 1.12 0.00 0.00 29.99 28.25 1k0s n HIS 47 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1k0s n PHE 48 N -0.47 0.00 -1.42 4.41 3.01 -1.26 -4.81 117.46 116.92 1k0s n PHE 48 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1k0s n PHE 48 Cb 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.38 1k0s n PHE 48 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1k0s n VAL 49 N 0.00 0.00 0.26 -4.37 0.31 -1.26 -4.55 118.33 108.71 1k0s n VAL 49 Ca 0.00 -0.15 0.08 0.00 -0.01 0.00 0.00 64.34 64.26 1k0s n VAL 49 Cb 0.00 -1.44 0.65 0.00 -0.91 0.00 0.00 33.84 32.14 1k0s n VAL 49 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1k0s h GLU 50 N 10.98 0.00 -3.59 5.55 4.11 -1.62 -3.43 114.58 126.57 1k0s h GLU 50 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1k0s h GLU 50 Cb 1.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.15 1k0s h GLU 50 CO 1.01 0.05 -0.11 0.20 0.07 0.00 0.00 179.01 180.22 1k0s s GLY 51 N -4.11 0.38 0.24 1.06 0.00 -0.94 -2.14 107.32 101.82 1k0s s GLY 51 Ca -0.05 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.73 1k0s s GLY 51 CO 0.66 -0.57 0.69 -1.34 0.00 0.00 0.00 173.10 172.54 1k0s s VAL 52 N -3.98 0.00 -0.23 1.40 -7.23 -1.26 0.43 120.40 109.53 1k0s s VAL 52 Ca 0.19 -0.72 -0.15 0.00 -1.81 0.00 0.00 61.98 59.49 1k0s s VAL 52 Cb -0.00 -1.72 0.07 0.00 0.56 0.00 0.00 36.38 35.28 1k0s s VAL 52 CO 0.05 0.00 0.58 0.27 -0.31 0.00 0.00 175.10 175.69 1k0s s ILE 53 N -3.86 -0.01 0.10 -0.62 -4.36 -0.82 -4.34 121.20 107.30 1k0s s ILE 53 Ca 0.08 0.03 -0.19 0.00 -0.26 0.00 0.00 60.65 60.31 1k0s s ILE 53 Cb -0.05 -0.84 -0.07 0.00 1.25 0.00 0.00 42.46 42.76 1k0s s ILE 53 CO 0.01 0.01 0.59 0.21 0.24 0.00 0.00 174.94 176.00 1k0s s ASN 54 N 1.23 7.05 -0.29 4.36 2.47 -1.26 -1.78 114.94 126.72 1k0s s ASN 54 Ca -0.07 1.27 -0.22 0.00 0.42 0.00 0.00 52.86 54.25 1k0s s ASN 54 Cb -0.06 -2.36 0.13 0.00 -1.45 0.00 0.00 41.25 37.51 1k0s s ASN 54 CO -0.13 0.23 1.04 -0.22 -3.72 0.00 0.00 177.10 174.31 1k0s s LEU 55 N -1.28 -0.44 -1.54 3.21 2.96 0.12 -4.95 118.68 116.76 1k0s s LEU 55 Ca 0.31 0.81 -0.06 0.00 -0.22 0.00 0.00 54.13 54.97 1k0s s LEU 55 Cb -0.19 1.80 0.05 0.00 0.50 0.00 0.00 46.19 48.35 1k0s s LEU 55 CO 0.20 -0.14 0.43 0.54 -1.32 0.00 0.00 176.35 176.06 1k0s n ARG 56 N 2.60 -2.62 -3.68 1.98 1.74 -1.26 -0.29 116.66 115.14 1k0s n ARG 56 Ca -0.14 0.31 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 1k0s n ARG 56 Cb 0.56 -4.48 0.05 0.00 -1.02 0.00 0.00 32.46 27.58 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k0s n GLY 57 N -1.92 -0.43 3.63 -0.13 0.00 -1.26 -4.98 105.19 100.10 1k0s n GLY 57 Ca -0.20 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.11 0.61 -0.01 1.61 3.00 0.61 -5.16 118.95 113.49 1k0s s ARG 58 Ca 0.33 1.27 -0.02 0.00 -1.00 0.00 0.00 55.73 56.30 1k0s s ARG 58 Cb -0.16 0.48 -0.04 0.00 0.00 0.00 0.00 34.95 35.23 1k0s s ARG 58 CO 0.78 -0.16 0.16 0.42 0.00 0.00 0.00 175.30 176.50 1k0s s ILE 59 N 2.22 5.30 -0.03 4.11 1.09 -1.26 -0.71 121.20 131.93 1k0s s ILE 59 Ca -0.08 -0.20 0.05 0.00 -1.10 0.00 0.00 60.65 59.31 1k0s s ILE 59 Cb -0.08 -3.47 -0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1k0s s ILE 59 CO -0.19 0.33 -0.16 0.27 -0.10 0.00 0.00 174.94 175.09 1k0s s ILE 60 N -1.30 1.34 -0.21 2.92 -5.25 -0.74 -4.83 121.20 113.14 1k0s s ILE 60 Ca 0.26 -0.69 -0.15 0.00 -0.99 0.00 0.00 60.65 59.09 1k0s s ILE 60 Cb -0.12 -1.14 -0.04 0.00 2.95 0.00 0.00 42.46 44.10 1k0s s ILE 60 CO 0.18 0.39 0.34 -2.16 -1.79 0.00 0.00 174.94 171.90 1k0s s PRO 61 N -0.12 4.14 -0.14 0.37 0.04 -1.24 -1.94 135.00 136.12 1k0s s PRO 61 Ca 0.00 0.09 -0.06 0.00 0.04 0.00 0.00 61.00 61.07 1k0s s PRO 61 Cb -0.09 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1k0s s PRO 61 CO 0.01 -0.03 0.07 0.14 0.04 0.00 0.00 177.00 177.23 1k0s s VAL 62 N 1.30 4.86 0.04 -0.36 -7.23 0.17 -1.17 120.40 118.01 1k0s s VAL 62 Ca 0.16 -0.02 -0.04 0.00 -1.81 0.00 0.00 61.98 60.27 1k0s s VAL 62 Cb -0.14 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 1k0s s VAL 62 CO 0.07 0.55 0.04 -0.69 -0.31 0.00 0.00 175.10 174.76 1k0s s VAL 63 N -0.38 0.16 -1.07 1.32 1.01 -0.91 -1.72 120.40 118.80 1k0s s VAL 63 Ca 0.09 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 1k0s s VAL 63 Cb -0.12 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 1k0s s VAL 63 CO 0.02 -0.72 1.94 0.59 0.00 0.00 0.00 175.10 176.92 1k0s n ASN 64 N 0.59 3.22 -0.21 3.32 3.02 -1.26 -2.05 115.26 121.88 1k0s n ASN 64 Ca -0.18 -2.74 0.12 0.00 -0.03 0.00 0.00 54.58 51.76 1k0s n ASN 64 Cb 0.59 -1.49 0.42 0.00 -0.61 0.00 0.00 39.78 38.69 1k0s n ASN 64 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1k0s h LEU 65 N 14.59 0.56 -2.89 3.41 6.46 -1.84 0.59 115.31 136.19 1k0s h LEU 65 Ca 0.37 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1k0s h LEU 65 Cb 0.79 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1k0s h LEU 65 CO 1.62 0.30 0.01 0.00 -0.62 0.00 0.00 178.44 179.75 1k0s h ALA 66 N 1.62 1.10 0.01 1.25 0.00 -1.84 0.47 119.26 121.87 1k0s h ALA 66 Ca 0.39 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1k0s h ALA 66 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1k0s h ALA 66 CO -0.15 -0.01 -0.48 -0.22 0.00 0.00 0.00 179.25 178.39 1k0s h LYS 67 N 0.00 0.03 -0.98 0.00 3.11 -0.18 1.69 116.57 120.24 1k0s h LYS 67 Ca 0.00 -0.05 0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1k0s h LYS 67 Cb 0.01 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.20 1k0s h LYS 67 CO -0.00 1.02 0.64 0.97 -2.81 0.00 0.00 179.45 179.27 1k0s h ILE 68 N -0.93 1.14 0.15 2.00 2.10 -0.88 -0.72 117.51 120.38 1k0s h ILE 68 Ca -0.12 -0.41 -0.29 0.00 1.08 0.00 0.00 64.86 65.12 1k0s h ILE 68 Cb 1.16 -0.17 0.01 0.00 -1.09 0.00 0.00 36.82 36.73 1k0s h ILE 68 CO -0.05 0.22 -1.29 0.25 -1.08 0.00 0.00 178.15 176.20 1k0s h LEU 69 N 1.20 0.52 -1.10 2.19 7.12 -0.19 -3.50 115.31 121.55 1k0s h LEU 69 Ca 0.40 -0.55 0.00 0.00 0.13 0.00 0.00 57.88 57.85 1k0s h LEU 69 Cb 0.05 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1k0s h LEU 69 CO -0.13 1.43 -0.64 0.61 -0.13 0.00 0.00 178.44 179.58 1k0s n GLY 70 N 1.56 -4.68 0.00 3.75 0.00 0.58 -5.02 105.19 101.38 1k0s n GLY 70 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.79 0.00 -0.33 -0.61 -5.35 -1.14 -4.94 119.36 107.79 1k0s n ILE 71 Ca 0.00 0.00 0.26 0.00 -0.27 0.00 0.00 62.75 62.74 1k0s n ILE 71 Cb 0.00 0.00 0.57 0.00 -1.74 0.00 0.00 39.64 38.47 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 0.00 0.34 -0.56 7.28 0.02 -1.85 -3.42 113.55 115.35 1k0s h SER 72 Ca 0.00 0.07 -0.41 0.00 -0.84 0.00 0.00 61.79 60.61 1k0s h SER 72 Cb 0.00 0.02 0.05 0.00 0.14 0.00 0.00 62.40 62.61 1k0s h SER 72 CO 0.00 0.05 -0.16 0.33 -1.14 0.00 0.00 176.83 175.91 1k0s n PHE 73 N -4.54 -0.01 0.05 3.45 7.35 -1.26 -4.83 117.46 117.67 1k0s n PHE 73 Ca 0.26 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.52 1k0s n PHE 73 Cb 0.98 -1.14 0.00 0.00 0.35 0.00 0.00 39.48 39.68 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 1.01 0.24 0.00 -2.13 2.03 -1.26 -5.01 116.55 111.44 1k0s n ASP 74 Ca 0.11 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1k0s n ASP 74 Cb 0.10 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 1k0s n ASP 74 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1k0s n GLU 75 N -2.97 0.00 -0.03 -0.67 -0.00 -1.26 -5.03 120.64 110.67 1k0s n GLU 75 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.06 1k0s n GLU 75 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.40 1k0s n GLU 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1k0s h GLN 76 N 0.00 0.22 0.06 3.44 3.07 -2.00 -3.25 115.11 116.65 1k0s h GLN 76 Ca 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 1k0s h GLN 76 Cb 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 27.48 27.52 1k0s h GLN 76 CO 0.00 0.15 -0.62 0.87 0.09 0.00 0.00 178.83 179.32 1k0s h LYS 77 N 0.23 0.31 -4.69 0.06 1.79 -1.98 -3.47 116.57 108.83 1k0s h LYS 77 Ca 0.06 -0.42 -0.51 0.00 -2.18 0.00 0.00 60.65 57.60 1k0s h LYS 77 Cb -0.02 0.14 0.09 0.00 -1.58 0.00 0.00 32.23 30.86 1k0s h LYS 77 CO -0.01 1.14 -0.49 -1.33 -1.08 0.00 0.00 179.45 177.67 1k0s n MET 78 N -4.23 0.00 0.00 3.15 2.81 -1.23 -4.66 117.12 112.96 1k0s n MET 78 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1k0s n MET 78 Cb 0.71 -0.78 0.00 0.00 -0.71 0.00 0.00 33.22 32.44 1k0s n MET 78 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1k0s n LYS 79 N 0.84 0.00 -1.63 0.03 -0.00 0.39 -4.83 118.16 112.97 1k0s n LYS 79 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.29 1k0s n LYS 79 Cb 0.22 0.00 0.09 0.00 -0.00 0.00 0.00 35.03 35.34 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1k0s n SER 80 N -0.24 0.61 -3.67 -5.58 2.88 0.16 -4.37 113.62 103.41 1k0s n SER 80 Ca 0.00 -1.58 -0.14 0.00 -1.33 0.00 0.00 58.87 55.82 1k0s n SER 80 Cb 0.00 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 62.92 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 -2.08 0.00 0.11 2.46 1.01 0.16 -1.79 121.20 121.07 1k0s s ILE 81 Ca 0.42 -0.01 0.07 0.00 0.00 0.00 0.00 60.65 61.14 1k0s s ILE 81 Cb -0.02 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1k0s s ILE 81 CO 0.28 -0.00 -0.11 -0.63 0.00 0.00 0.00 174.94 174.48 1k0s s ILE 82 N 0.24 3.31 0.12 2.92 1.01 0.22 0.27 121.20 129.30 1k0s s ILE 82 Ca -0.01 -1.31 0.11 0.00 0.00 0.00 0.00 60.65 59.44 1k0s s ILE 82 Cb -0.04 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1k0s s ILE 82 CO 0.01 0.10 -0.26 -0.69 0.00 0.00 0.00 174.94 174.10 1k0s s VAL 83 N -1.23 2.20 0.22 2.92 1.01 -0.78 -0.19 120.40 124.56 1k0s s VAL 83 Ca 0.21 -1.72 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 1k0s s VAL 83 Cb -0.11 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1k0s s VAL 83 CO 0.13 0.09 0.34 0.00 0.00 0.00 0.00 175.10 175.66 1k0s n ALA 84 N 0.97 -0.41 -2.80 5.51 0.00 0.26 0.32 120.51 124.36 1k0s n ALA 84 Ca -0.18 -0.94 -0.15 0.00 0.00 0.00 0.00 53.44 52.17 1k0s n ALA 84 Cb 0.53 0.76 -0.13 0.00 0.00 0.00 0.00 19.45 20.61 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 -2.39 0.48 -0.30 0.00 1.70 -1.19 -0.13 118.95 117.13 1k0s s ARG 85 Ca 0.16 -0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 54.97 1k0s s ARG 85 Cb -0.01 -0.37 0.19 0.00 -0.57 0.00 0.00 34.95 34.19 1k0s s ARG 85 CO 0.11 0.09 0.60 0.95 -1.08 0.00 0.00 175.30 175.98 1k0s s THR 86 N -0.68 -0.99 -1.50 4.99 -4.23 0.33 -4.86 115.64 108.70 1k0s s THR 86 Ca -0.03 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.43 1k0s s THR 86 Cb -0.06 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.83 1k0s s THR 86 CO 0.00 0.00 0.49 1.17 -0.54 0.00 0.00 174.62 175.74 1k0s n LYS 87 N 5.43 -3.08 -2.37 3.99 3.00 -1.26 -0.09 118.16 123.78 1k0s n LYS 87 Ca -0.01 0.37 -0.06 0.00 -0.00 0.00 0.00 58.31 58.61 1k0s n LYS 87 Cb 0.51 -4.61 0.01 0.00 0.00 0.00 0.00 35.03 30.94 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1k0s n ASP 88 N -2.89 -2.74 -3.83 3.14 8.00 -1.26 -5.03 116.55 111.94 1k0s n ASP 88 Ca -0.20 -0.06 -0.29 0.00 0.71 0.00 0.00 54.79 54.95 1k0s n ASP 88 Cb 0.63 -1.81 -0.16 0.00 -0.02 0.00 0.00 41.12 39.77 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 -2.58 0.99 -0.64 2.53 1.01 0.87 -5.07 120.40 117.50 1k0s s VAL 89 Ca 0.06 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1k0s s VAL 89 Cb -0.03 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1k0s s VAL 89 CO 0.08 -0.15 0.94 -1.61 0.00 0.00 0.00 175.10 174.36 1k0s s GLU 90 N 1.65 3.13 0.34 2.72 2.02 -1.25 0.12 118.70 127.42 1k0s s GLU 90 Ca -0.03 -0.81 -0.09 0.00 0.02 0.00 0.00 54.97 54.06 1k0s s GLU 90 Cb -0.18 -4.21 -0.06 0.00 0.10 0.00 0.00 34.13 29.78 1k0s s GLU 90 CO -0.07 -1.77 0.67 0.08 0.02 0.00 0.00 175.26 174.19 1k0s s VAL 91 N 3.97 4.87 0.18 2.63 1.01 0.82 -3.68 120.40 130.19 1k0s s VAL 91 Ca 0.22 0.46 0.10 0.00 0.00 0.00 0.00 61.98 62.76 1k0s s VAL 91 Cb -0.17 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1k0s s VAL 91 CO 0.11 -0.36 -0.20 -0.83 0.00 0.00 0.00 175.10 173.81 1k0s s GLY 92 N -2.96 1.52 -0.08 4.51 0.00 -0.32 0.91 107.32 110.90 1k0s s GLY 92 Ca 0.49 -1.56 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1k0s s GLY 92 CO 0.28 -1.60 0.18 -0.12 0.00 0.00 0.00 173.10 171.84 1k0s s PHE 93 N -1.94 -0.23 -0.08 1.90 5.36 0.74 -2.14 117.98 121.59 1k0s s PHE 93 Ca 0.18 0.62 -0.21 0.00 -0.96 0.00 0.00 56.93 56.56 1k0s s PHE 93 Cb -0.06 -0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.48 1k0s s PHE 93 CO 0.08 -0.22 0.61 -1.17 -1.46 0.00 0.00 175.22 173.06 1k0s s LEU 94 N 1.58 4.31 0.00 6.12 2.96 -0.87 0.73 118.68 133.50 1k0s s LEU 94 Ca -0.05 1.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.94 1k0s s LEU 94 Cb -0.11 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1k0s s LEU 94 CO -0.07 -0.06 0.16 1.33 -1.32 0.00 0.00 176.35 176.39 1k0s n VAL 95 N 3.68 0.00 0.00 1.68 0.24 -0.74 -4.51 118.33 118.68 1k0s n VAL 95 Ca -0.04 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 1k0s n VAL 95 Cb 0.51 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 1k0s n VAL 95 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1k0s n ASP 96 N -2.26 0.00 -3.84 -1.34 2.03 -1.25 0.15 116.55 110.03 1k0s n ASP 96 Ca 0.04 0.11 -0.27 0.00 0.52 0.00 0.00 54.79 55.18 1k0s n ASP 96 Cb 0.33 -0.35 -0.17 0.00 -0.72 0.00 0.00 41.12 40.21 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 -0.69 1.15 -0.39 -0.67 6.06 -1.25 -2.88 118.95 120.27 1k0s s ARG 97 Ca 0.00 -0.37 -0.16 0.00 -2.50 0.00 0.00 55.73 52.70 1k0s s ARG 97 Cb 0.00 -1.81 0.01 0.00 0.06 0.00 0.00 34.95 33.21 1k0s s ARG 97 CO 0.00 -0.44 0.36 0.54 -2.50 0.00 0.00 175.30 173.27 1k0s s VAL 98 N 1.74 5.17 0.44 7.11 0.11 -1.26 0.21 120.40 133.92 1k0s s VAL 98 Ca 0.01 -0.33 0.22 0.00 -2.93 0.00 0.00 61.98 58.95 1k0s s VAL 98 Cb -0.15 -3.93 0.24 0.00 -1.53 0.00 0.00 36.38 31.01 1k0s s VAL 98 CO -0.07 -0.28 2.04 -0.07 -3.33 0.00 0.00 175.10 173.38 1k0s h LEU 99 N 8.82 0.00 0.00 2.54 -0.00 0.82 -3.47 115.31 124.02 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 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1k0s h LEU 99 CO 0.74 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.94 1k0s n GLY 100 N -0.84 1.75 3.65 0.83 0.00 -0.09 -4.87 105.19 105.61 1k0s n GLY 100 Ca -0.02 -0.64 -0.48 0.00 0.00 0.00 0.00 46.02 44.88 1k0s n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k0s n VAL 101 N 0.00 0.04 -4.37 1.61 0.31 -1.25 -0.29 118.33 114.39 1k0s n VAL 101 Ca 0.00 -0.01 -0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1k0s n VAL 101 Cb 0.00 -1.32 -0.15 0.00 -0.91 0.00 0.00 33.84 31.46 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1k0s s LEU 102 N 1.04 1.97 -1.28 7.52 2.96 0.39 -4.79 118.68 126.49 1k0s s LEU 102 Ca 0.82 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 54.46 1k0s s LEU 102 Cb -0.78 -0.48 0.16 0.00 0.50 0.00 0.00 46.19 45.60 1k0s s LEU 102 CO 0.42 0.10 1.85 -2.11 -1.32 0.00 0.00 176.35 175.29 1k0s n ARG 103 N 2.94 3.55 -3.13 1.98 1.85 -1.26 -1.19 116.66 121.40 1k0s n ARG 103 Ca -0.14 -3.51 -0.40 0.00 -1.00 0.00 0.00 57.85 52.80 1k0s n ARG 103 Cb 0.56 -2.96 -0.05 0.00 -1.05 0.00 0.00 32.46 28.96 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 0.68 5.06 0.18 8.89 -1.09 0.16 -4.81 121.20 130.27 1k0s s ILE 104 Ca 0.40 1.23 -0.16 0.00 -2.23 0.00 0.00 60.65 59.89 1k0s s ILE 104 Cb 0.08 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1k0s s ILE 104 CO 0.00 0.19 0.62 0.42 -1.23 0.00 0.00 174.94 174.94 1k0s s THR 105 N 1.32 4.76 -0.38 2.92 -4.23 -1.26 0.95 115.64 119.72 1k0s s THR 105 Ca 0.31 0.97 0.03 0.00 -1.18 0.00 0.00 61.69 61.82 1k0s s THR 105 Cb -0.16 -3.76 0.16 0.00 1.34 0.00 0.00 72.50 70.07 1k0s s THR 105 CO 0.13 0.20 0.37 -0.70 -0.54 0.00 0.00 174.62 174.07 1k0s s GLU 106 N -2.05 0.66 0.00 3.99 2.56 -1.17 -4.85 118.70 117.83 1k0s s GLU 106 Ca 0.41 -0.97 0.13 0.00 0.00 0.00 0.00 54.97 54.53 1k0s s GLU 106 Cb -0.15 -0.79 0.49 0.00 2.00 0.00 0.00 34.13 35.68 1k0s s GLU 106 CO 0.20 -1.21 1.36 0.09 -0.56 0.00 0.00 175.26 175.13 1k0s n ASN 107 N 4.12 1.21 0.06 -1.70 5.03 -1.24 -4.04 115.26 118.70 1k0s n ASN 107 Ca 0.12 -1.83 -0.13 0.00 0.87 0.00 0.00 54.58 53.61 1k0s n ASN 107 Cb 0.45 -0.12 -0.09 0.00 -1.02 0.00 0.00 39.78 39.00 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 1.43 -0.18 -2.09 3.52 1.08 -1.91 -3.25 115.11 113.71 1k0s h GLN 108 Ca 0.00 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 1k0s h GLN 108 Cb 0.32 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 1k0s h GLN 108 CO 0.00 0.22 -0.12 1.47 -0.95 0.00 0.00 178.83 179.45 1k0s n LEU 109 N -4.97 4.39 0.00 1.46 -0.00 -1.26 -2.50 117.00 114.13 1k0s n LEU 109 Ca -0.09 -2.37 -0.11 0.00 -0.00 0.00 0.00 56.01 53.44 1k0s n LEU 109 Cb 0.25 -1.06 -0.09 0.00 -0.00 0.00 0.00 43.42 42.52 1k0s n LEU 109 CO 0.31 1.09 0.40 -0.78 -0.00 0.00 0.00 177.39 178.41 1k0s h ASP 110 N 2.53 -0.10 0.00 1.45 3.58 -1.85 -3.41 116.42 118.63 1k0s h ASP 110 Ca 0.08 -0.50 -0.34 0.00 0.42 0.00 0.00 57.03 56.69 1k0s h ASP 110 Cb 1.05 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 42.06 1k0s h ASP 110 CO 0.14 0.55 -2.27 0.18 -2.88 0.00 0.00 179.24 174.96 1k0s n LEU 111 N -4.82 2.84 0.00 2.28 4.32 -1.26 -4.92 117.00 115.44 1k0s n LEU 111 Ca -0.08 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 1k0s n LEU 111 Cb 0.29 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 1k0s n LEU 111 CO 0.27 0.86 0.00 1.07 -1.22 0.00 0.00 177.39 178.37 1k0s n THR 112 N -3.13 0.00 -2.29 -5.08 5.66 -1.26 -5.10 114.28 103.08 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 0.93 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.71 1k0s n THR 112 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1k0s n ASN 113 N 0.00 -9.42 -3.16 1.09 4.13 -1.04 -4.93 115.26 101.92 1k0s n ASN 113 Ca 0.00 1.77 0.03 0.00 1.68 0.00 0.00 54.58 58.06 1k0s n ASN 113 Cb 0.00 -5.16 -0.00 0.00 -1.54 0.00 0.00 39.78 33.08 1k0s n ASN 113 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1k0s s VAL 114 N -0.58 -0.98 0.04 2.41 1.01 -1.13 -4.93 120.40 116.25 1k0s s VAL 114 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1k0s s VAL 114 Cb 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1k0s s VAL 114 CO 0.00 -0.02 0.68 -1.20 0.00 0.00 0.00 175.10 174.56 1k0s n SER 115 N 5.42 -0.84 -3.38 3.32 7.64 -1.26 -4.95 113.62 119.56 1k0s n SER 115 Ca 0.04 -1.32 -0.33 0.00 1.01 0.00 0.00 58.87 58.27 1k0s n SER 115 Cb 0.54 1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 65.05 1k0s n SER 115 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k0s n ASP 116 N -0.83 4.78 -0.32 6.43 8.00 -1.26 -4.68 116.55 128.67 1k0s n ASP 116 Ca 0.01 -2.52 0.15 0.00 0.71 0.00 0.00 54.79 53.14 1k0s n ASP 116 Cb 0.34 -1.24 0.33 0.00 -0.02 0.00 0.00 41.12 40.53 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 6.48 0.43 0.00 -1.24 1.57 -1.92 -3.43 116.57 118.47 1k0s h LYS 117 Ca 0.55 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1k0s h LYS 117 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1k0s h LYS 117 CO 1.69 0.28 0.00 0.34 -0.57 0.00 0.00 179.45 181.19 1k0s n PHE 118 N -5.00 -0.72 0.00 -1.35 -0.00 -1.26 -3.53 117.46 105.59 1k0s n PHE 118 Ca 0.24 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1k0s n PHE 118 Cb 0.69 0.20 0.00 0.00 -0.00 0.00 0.00 39.48 40.37 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 -1.04 1.30 0.00 7.13 0.00 -1.26 -4.98 105.19 106.35 1k0s n GLY 119 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1k0s n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k0s n LYS 120 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.04 118.16 116.47 1k0s n LYS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k0s n LYS 120 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 0.00 0.00 1.64 3.00 -1.26 -5.12 118.16 116.42 1k0s n LYS 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k0s n LYS 121 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 34.91 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 -1.79 0.00 -0.34 3.14 3.41 -1.26 -2.38 113.62 114.40 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 1.17 -0.16 0.00 0.00 175.04 176.05 1k0s n LYS 123 N 0.00 0.00 -3.67 4.33 3.00 -1.26 -4.37 118.16 116.19 1k0s n LYS 123 Ca 0.00 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1k0s n LYS 123 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1k0s s GLY 124 N -0.00 -0.28 -0.16 3.14 0.00 0.17 -4.65 107.32 105.54 1k0s s GLY 124 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 44.72 45.03 1k0s s GLY 124 CO 0.00 0.22 0.47 -2.27 0.00 0.00 0.00 173.10 171.52 1k0s s LEU 125 N -1.63 0.21 0.18 0.66 1.98 -1.23 -1.75 118.68 117.09 1k0s s LEU 125 Ca -0.09 0.87 -0.20 0.00 -2.89 0.00 0.00 54.13 51.81 1k0s s LEU 125 Cb -0.02 1.64 0.05 0.00 0.66 0.00 0.00 46.19 48.52 1k0s s LEU 125 CO 0.02 -0.21 0.56 0.54 -1.89 0.00 0.00 176.35 175.37 1k0s s VAL 126 N 0.04 0.02 -0.28 1.68 0.11 0.70 -4.75 120.40 117.92 1k0s s VAL 126 Ca -0.02 -0.41 -0.21 0.00 -2.93 0.00 0.00 61.98 58.42 1k0s s VAL 126 Cb -0.03 -1.29 0.11 0.00 -1.53 0.00 0.00 36.38 33.64 1k0s s VAL 126 CO 0.01 -0.09 0.90 -1.59 -3.33 0.00 0.00 175.10 171.01 1k0s s LYS 127 N -3.81 0.56 0.00 1.54 0.00 -1.26 0.38 119.74 117.16 1k0s s LYS 127 Ca 0.05 0.80 -0.28 0.00 0.00 0.00 0.00 55.97 56.53 1k0s s LYS 127 Cb -0.01 0.20 0.07 0.00 0.00 0.00 0.00 37.83 38.09 1k0s s LYS 127 CO -0.08 -0.09 0.64 0.99 0.00 0.00 0.00 175.35 176.81 1k0s s THR 128 N 0.85 0.00 -1.33 3.79 2.01 0.11 -4.93 115.64 116.15 1k0s s THR 128 Ca -0.03 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1k0s s THR 128 Cb -0.05 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.49 1k0s s THR 128 CO -0.10 -0.02 0.87 -0.67 -0.69 0.00 0.00 174.62 174.01 1k0s n ASP 129 N 0.59 -2.59 -2.95 3.53 2.03 -1.26 -1.07 116.55 114.83 1k0s n ASP 129 Ca -0.19 -0.74 -0.20 0.00 0.52 0.00 0.00 54.79 54.19 1k0s n ASP 129 Cb 0.59 -4.37 0.01 0.00 -0.72 0.00 0.00 41.12 36.63 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0s n GLY 130 N -1.55 -0.50 2.84 0.27 0.00 -1.26 -4.95 105.19 100.04 1k0s n GLY 130 Ca -0.20 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1k0s n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 131 N -5.59 0.14 0.24 1.61 1.70 -0.23 -5.15 118.95 111.67 1k0s s ARG 131 Ca 0.24 0.05 -0.13 0.00 -0.47 0.00 0.00 55.73 55.42 1k0s s ARG 131 Cb -0.12 -0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 33.91 1k0s s ARG 131 CO 0.29 -0.08 0.62 -0.51 -1.08 0.00 0.00 175.30 174.54 1k0s s LEU 132 N 0.61 4.19 -0.12 -1.89 1.43 -1.26 0.10 118.68 121.73 1k0s s LEU 132 Ca -0.06 1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 1k0s s LEU 132 Cb -0.08 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1k0s s LEU 132 CO -0.01 -0.07 0.29 -0.63 0.23 0.00 0.00 176.35 176.16 1k0s s ILE 133 N -1.77 -0.03 0.10 -0.59 1.01 0.16 -2.36 121.20 117.73 1k0s s ILE 133 Ca 0.47 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 61.03 1k0s s ILE 133 Cb -0.12 -0.44 -0.07 0.00 0.01 0.00 0.00 42.46 41.84 1k0s s ILE 133 CO 0.20 0.04 0.59 -0.63 0.00 0.00 0.00 174.94 175.14 1k0s s ILE 134 N 1.04 4.72 0.07 2.92 1.09 0.86 -0.22 121.20 131.67 1k0s s ILE 134 Ca -0.07 1.19 0.07 0.00 -1.10 0.00 0.00 60.65 60.74 1k0s s ILE 134 Cb -0.08 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 1k0s s ILE 134 CO -0.07 0.47 -0.19 -0.47 -0.10 0.00 0.00 174.94 174.57 1k0s s TYR 135 N -1.21 1.68 0.14 3.97 5.04 -0.72 0.67 117.35 126.93 1k0s s TYR 135 Ca 0.32 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1k0s s TYR 135 Cb -0.19 -0.97 -0.04 0.00 0.35 0.00 0.00 41.96 41.12 1k0s s TYR 135 CO 0.20 0.12 0.07 -0.51 -1.34 0.00 0.00 175.55 174.09 1k0s s LEU 136 N -1.48 1.69 -0.04 6.97 1.02 -0.42 0.42 118.68 126.84 1k0s s LEU 136 Ca 0.06 -1.21 0.16 0.00 0.02 0.00 0.00 54.13 53.15 1k0s s LEU 136 Cb -0.09 0.34 0.29 0.00 0.02 0.00 0.00 46.19 46.75 1k0s s LEU 136 CO 0.03 -0.74 1.13 -0.67 0.02 0.00 0.00 176.35 176.11 1k0s n ASP 137 N -0.11 0.94 -0.66 2.29 2.03 -1.26 -2.21 116.55 117.56 1k0s n ASP 137 Ca -0.05 -2.38 -0.01 0.00 0.52 0.00 0.00 54.79 52.86 1k0s n ASP 137 Cb 0.64 -0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.06 0.00 -0.05 5.18 3.06 -1.26 -4.76 119.36 121.47 1k0s n ILE 138 Ca 0.07 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.32 1k0s n ILE 138 Cb 0.90 -0.19 -0.00 0.00 0.54 0.00 0.00 39.64 40.90 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 0.82 9.51 3.58 -1.94 -2.60 116.42 125.79 1k0s h ASP 139 Ca -0.03 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1k0s h ASP 139 Cb 0.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1k0s h ASP 139 CO 0.04 0.52 -0.78 0.11 -2.88 0.00 0.00 179.24 176.25 1k0s h LYS 140 N -0.97 0.00 -0.11 0.28 6.56 -1.78 -2.47 116.57 118.07 1k0s h LYS 140 Ca 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1k0s h LYS 140 Cb 0.06 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1k0s h LYS 140 CO 0.00 0.78 -0.13 0.97 -2.06 0.00 0.00 179.45 179.01 1k0s h ILE 141 N 0.00 1.36 -0.50 1.86 -0.00 -1.65 -2.39 117.51 116.19 1k0s h ILE 141 Ca -0.01 -1.31 -0.03 0.00 -0.00 0.00 0.00 64.86 63.51 1k0s h ILE 141 Cb 1.40 1.97 -0.02 0.00 -0.00 0.00 0.00 36.82 40.17 1k0s h ILE 141 CO 0.10 0.38 0.21 -0.29 -0.00 0.00 0.00 178.15 178.55 1k0s h ILE 142 N -0.12 1.21 -0.73 2.19 6.09 -1.50 0.19 117.51 124.83 1k0s h ILE 142 Ca 0.02 -0.63 0.16 0.00 -1.37 0.00 0.00 64.86 63.04 1k0s h ILE 142 Cb 0.66 0.70 -0.12 0.00 0.47 0.00 0.00 36.82 38.53 1k0s h ILE 142 CO 0.03 0.24 0.10 -0.08 -3.07 0.00 0.00 178.15 175.37 1k0s h GLU 143 N 0.66 0.18 -0.01 2.19 4.81 -1.40 0.57 114.58 121.58 1k0s h GLU 143 Ca 0.17 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.24 1k0s h GLU 143 Cb 0.18 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1k0s h GLU 143 CO -0.02 0.12 -0.68 0.93 -0.73 0.00 0.00 179.01 178.63 1k0s h GLU 144 N 0.19 0.04 -0.62 1.92 4.39 -0.94 -1.94 114.58 117.63 1k0s h GLU 144 Ca 0.41 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.22 1k0s h GLU 144 Cb 0.72 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1k0s h GLU 144 CO -0.57 0.71 0.43 0.82 -1.16 0.00 0.00 179.01 179.23 1k0s h ILE 145 N 0.03 0.77 0.00 3.13 2.04 0.33 0.43 117.51 124.23 1k0s h ILE 145 Ca -0.01 -0.06 -0.39 0.00 1.00 0.00 0.00 64.86 65.40 1k0s h ILE 145 Cb 1.21 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.81 1k0s h ILE 145 CO 0.09 0.03 -2.12 0.35 0.00 0.00 0.00 178.15 176.50 1k0s n THR 146 N -4.42 1.54 1.08 -0.27 -2.24 -0.72 -4.44 114.28 104.80 1k0s n THR 146 Ca 0.11 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1k0s n THR 146 Cb 0.56 -1.90 0.10 0.00 -2.10 0.00 0.00 70.33 66.99 1k0s n THR 146 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1k0s n VAL 147 N -4.24 0.43 -0.33 2.28 3.14 -0.74 -4.38 118.33 114.49 1k0s n VAL 147 Ca -0.47 -0.31 0.18 0.00 -2.96 0.00 0.00 64.34 60.79 1k0s n VAL 147 Cb 0.83 -0.04 0.39 0.00 -1.06 0.00 0.00 33.84 33.96 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 1.17 0.43 -6.56 1.45 -0.00 -0.36 -3.41 116.57 109.29 1k0s h LYS 148 Ca 0.00 -0.03 -0.56 0.00 -0.00 0.00 0.00 60.65 60.06 1k0s h LYS 148 Cb 0.47 -0.10 0.06 0.00 -0.00 0.00 0.00 32.23 32.67 1k0s h LYS 148 CO 0.04 0.28 0.86 0.39 -0.00 0.00 0.00 179.45 181.02 1k0s n GLU 149 N -4.99 2.35 0.00 0.07 1.02 -1.26 -4.79 120.64 113.03 1k0s n GLU 149 Ca 0.27 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.26 1k0s n GLU 149 Cb 0.79 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k0s n GLY 150 N 3.48 0.00 0.00 0.62 0.00 -1.26 -5.17 105.19 102.86 1k0s n GLY 150 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70