#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0s n LYS 2 N 0.00 0.00 0.00 0.03 2.85 -1.26 -5.08 118.16 114.70 1k0s n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1k0s n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1k0s n LYS 2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1k0s n THR 3 N 0.00 0.00 0.03 0.58 -2.24 -1.26 -4.91 114.28 106.47 1k0s n THR 3 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1k0s n THR 3 Cb 0.00 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.43 1k0s n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1k0s h LEU 4 N 0.00 0.45 0.00 3.22 3.38 -2.09 -3.46 115.31 116.81 1k0s h LEU 4 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1k0s h LEU 4 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1k0s h LEU 4 CO 0.00 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1k0s n ALA 5 N -2.49 0.00 -3.70 1.53 0.00 -1.26 -5.18 120.51 109.42 1k0s n ALA 5 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1k0s n ALA 5 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 1k0s n ALA 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k0s s ASP 6 N 0.93 -0.50 0.44 0.00 1.01 -1.26 -4.28 116.67 113.00 1k0s s ASP 6 Ca 0.00 0.87 -0.25 0.00 0.71 0.00 0.00 52.55 53.88 1k0s s ASP 6 Cb 0.00 0.76 -0.09 0.00 1.01 0.00 0.00 42.92 44.59 1k0s s ASP 6 CO 0.00 -0.19 1.36 0.00 0.21 0.00 0.00 175.17 176.55 1k0s n ALA 7 N 4.27 1.71 -2.74 5.23 0.00 -1.26 -4.94 120.51 122.77 1k0s n ALA 7 Ca -0.23 0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1k0s n ALA 7 Cb 0.55 -2.34 0.08 0.00 0.00 0.00 0.00 19.45 17.74 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 0.25 -0.11 0.00 4.77 -1.26 -4.90 117.00 115.75 1k0s n LEU 8 Ca 0.06 -3.27 -0.24 0.00 -0.03 0.00 0.00 56.01 52.53 1k0s n LEU 8 Cb 0.41 0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 1k0s n LEU 8 CO 0.59 1.44 -0.75 0.29 -1.33 0.00 0.00 177.39 177.63 1k0s n LYS 9 N -0.76 0.57 -4.16 3.23 5.02 -1.26 -3.63 118.16 117.17 1k0s n LYS 9 Ca -0.01 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 56.68 1k0s n LYS 9 Cb 0.83 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 1k0s n LYS 9 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k0s s GLU 10 N -2.40 0.92 -0.27 1.97 2.02 -1.26 -3.43 118.70 116.25 1k0s s GLU 10 Ca -0.31 -1.43 -0.25 0.00 0.02 0.00 0.00 54.97 53.00 1k0s s GLU 10 Cb 0.08 0.12 0.08 0.00 0.10 0.00 0.00 34.13 34.51 1k0s s GLU 10 CO 0.57 -0.21 0.79 0.12 0.02 0.00 0.00 175.26 176.55 1k0s s PHE 11 N -3.94 -0.73 0.08 1.61 5.36 0.34 -4.60 117.98 116.11 1k0s s PHE 11 Ca 0.21 1.76 -0.20 0.00 -0.96 0.00 0.00 56.93 57.75 1k0s s PHE 11 Cb 0.07 0.30 -0.07 0.00 -0.34 0.00 0.00 43.02 42.99 1k0s s PHE 11 CO 0.01 -0.35 0.59 -1.83 -1.46 0.00 0.00 175.22 172.18 1k0s s GLU 12 N 0.39 4.24 0.28 10.12 -1.05 -1.26 0.18 118.70 131.61 1k0s s GLU 12 Ca 0.00 0.79 -0.16 0.00 -0.15 0.00 0.00 54.97 55.45 1k0s s GLU 12 Cb -0.05 -3.24 0.01 0.00 -0.44 0.00 0.00 34.13 30.41 1k0s s GLU 12 CO -0.01 0.63 0.60 0.54 0.95 0.00 0.00 175.26 177.97 1k0s s VAL 13 N -1.12 0.00 -0.01 1.83 0.11 -0.01 -4.46 120.40 116.75 1k0s s VAL 13 Ca 0.30 -1.23 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 1k0s s VAL 13 Cb -0.20 -2.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.39 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 -3.00 4.41 0.02 2.54 1.98 -0.90 0.17 118.68 123.90 1k0s s LEU 14 Ca 0.18 1.16 -0.09 0.00 -2.89 0.00 0.00 54.13 52.48 1k0s s LEU 14 Cb -0.03 -2.92 0.00 0.00 0.66 0.00 0.00 46.19 43.90 1k0s s LEU 14 CO 0.09 0.09 0.18 -0.94 -1.89 0.00 0.00 176.35 173.89 1k0s s SER 15 N -0.14 0.00 0.19 3.68 1.04 0.55 -1.16 113.70 117.87 1k0s s SER 15 Ca 0.31 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 1k0s s SER 15 Cb -0.18 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 1k0s s SER 15 CO 0.17 -0.46 0.36 0.72 0.98 0.00 0.00 173.24 175.01 1k0s s PHE 16 N -1.90 0.36 0.07 5.02 -0.12 0.55 0.14 117.98 122.10 1k0s s PHE 16 Ca -0.10 -0.71 -0.20 0.00 -0.05 0.00 0.00 56.93 55.86 1k0s s PHE 16 Cb -0.04 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.32 1k0s s PHE 16 CO -0.00 -0.82 0.60 -1.21 -0.05 0.00 0.00 175.22 173.73 1k0s s GLU 17 N -3.98 4.26 -0.25 1.99 2.02 0.16 -0.68 118.70 122.22 1k0s s GLU 17 Ca 0.19 0.79 -0.04 0.00 0.02 0.00 0.00 54.97 55.93 1k0s s GLU 17 Cb 0.02 -3.25 0.09 0.00 0.10 0.00 0.00 34.13 31.08 1k0s s GLU 17 CO 0.03 0.60 0.11 0.42 0.02 0.00 0.00 175.26 176.44 1k0s s ILE 18 N -1.00 0.04 -1.19 -1.63 -1.09 0.29 -4.38 121.20 112.25 1k0s s ILE 18 Ca 0.30 -0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 57.76 1k0s s ILE 18 Cb -0.20 -0.94 0.03 0.00 -1.58 0.00 0.00 42.46 39.78 1k0s s ILE 18 CO 0.20 -0.57 0.71 0.47 -1.23 0.00 0.00 174.94 174.51 1k0s n ASP 19 N 5.21 -4.45 0.00 3.58 9.92 -1.26 -0.89 116.55 128.66 1k0s n ASP 19 Ca -0.06 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.97 1k0s n ASP 19 Cb 0.44 -2.07 0.00 0.00 -0.64 0.00 0.00 41.12 38.85 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 -4.83 0.00 -3.09 -1.24 1.02 -1.26 -4.85 120.64 106.38 1k0s n GLU 20 Ca -0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 1k0s n GLU 20 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1k0s s GLN 21 N 0.00 3.72 0.61 3.49 -2.07 -0.07 -5.00 119.66 120.34 1k0s s GLN 21 Ca 0.00 0.27 -0.03 0.00 -1.82 0.00 0.00 55.36 53.78 1k0s s GLN 21 Cb 0.00 -2.51 0.04 0.00 -1.09 0.00 0.00 33.01 29.44 1k0s s GLN 21 CO 0.00 0.09 0.88 0.00 -1.32 0.00 0.00 175.29 174.94 1k0s s ALA 22 N -2.22 3.49 -0.17 2.60 0.00 -1.06 0.10 121.76 124.50 1k0s s ALA 22 Ca 0.48 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1k0s s ALA 22 Cb -0.10 -2.38 0.05 0.00 0.00 0.00 0.00 23.12 20.68 1k0s s ALA 22 CO 0.30 -0.94 0.44 -1.17 0.00 0.00 0.00 175.76 174.39 1k0s s LEU 23 N -4.97 0.10 0.03 0.00 2.96 0.14 0.55 118.68 117.49 1k0s s LEU 23 Ca 0.57 0.92 -0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1k0s s LEU 23 Cb -0.10 1.49 -0.03 0.00 0.50 0.00 0.00 46.19 48.05 1k0s s LEU 23 CO 0.42 -0.17 -0.02 0.00 -1.32 0.00 0.00 176.35 175.26 1k0s s ALA 24 N 0.76 0.23 0.01 5.97 0.00 0.22 -0.33 121.76 128.62 1k0s s ALA 24 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1k0s s ALA 24 Cb -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1k0s s ALA 24 CO -0.06 -0.24 -0.07 -0.06 0.00 0.00 0.00 175.76 175.33 1k0s s PHE 25 N -2.39 0.58 -0.10 0.00 0.40 -0.31 0.02 117.98 116.19 1k0s s PHE 25 Ca -0.07 -0.22 -0.38 0.00 -0.60 0.00 0.00 56.93 55.66 1k0s s PHE 25 Cb -0.03 -0.36 -0.15 0.00 0.51 0.00 0.00 43.02 42.98 1k0s s PHE 25 CO -0.04 -0.03 1.61 -3.47 0.70 0.00 0.00 175.22 173.99 1k0s n ASP 26 N 2.48 2.30 0.00 1.36 2.03 -0.94 -2.11 116.55 121.67 1k0s n ASP 26 Ca -0.16 1.08 0.03 0.00 0.52 0.00 0.00 54.79 56.26 1k0s n ASP 26 Cb 0.57 -1.20 0.15 0.00 -0.72 0.00 0.00 41.12 39.92 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 3.86 1.41 -0.05 5.18 0.24 -1.26 -1.61 118.33 126.10 1k0s n VAL 27 Ca 0.23 0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 62.73 1k0s n VAL 27 Cb 0.18 -1.23 -0.07 0.00 -1.47 0.00 0.00 33.84 31.25 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 0.66 0.01 -1.34 5.19 -1.92 -3.32 116.42 115.69 1k0s h ASP 28 Ca 0.00 -0.58 -0.03 0.00 -0.62 0.00 0.00 57.03 55.81 1k0s h ASP 28 Cb 0.11 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1k0s h ASP 28 CO 0.00 1.12 -0.13 -1.13 -3.12 0.00 0.00 179.24 175.98 1k0s h ASN 29 N 0.24 0.02 -3.24 6.45 -1.24 -1.68 -3.46 115.58 112.66 1k0s h ASN 29 Ca -0.01 -0.96 -0.53 0.00 0.71 0.00 0.00 56.30 55.52 1k0s h ASN 29 Cb 1.03 -0.01 0.07 0.00 0.73 0.00 0.00 38.32 40.15 1k0s h ASN 29 CO 0.09 1.05 0.86 -0.63 -1.29 0.00 0.00 177.43 177.51 1k0s s ILE 30 N -2.24 2.29 -0.02 2.57 -1.09 -0.63 0.15 121.20 122.23 1k0s s ILE 30 Ca -0.20 0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1k0s s ILE 30 Cb -0.02 -3.15 -0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1k0s s ILE 30 CO 0.69 0.04 -0.03 -0.62 -1.23 0.00 0.00 174.94 173.78 1k0s n GLU 31 N 2.54 0.06 -3.77 2.79 -0.58 0.16 -4.73 120.64 117.11 1k0s n GLU 31 Ca 0.09 0.18 -0.02 0.00 -0.42 0.00 0.00 57.16 56.99 1k0s n GLU 31 Cb 0.38 -0.76 -0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1k0s n GLU 31 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1k0s s MET 32 N -1.19 1.04 0.03 3.49 1.75 -1.14 -5.00 119.30 118.29 1k0s s MET 32 Ca -0.03 -0.61 -0.06 0.00 -1.25 0.00 0.00 55.69 53.75 1k0s s MET 32 Cb 0.00 0.34 -0.05 0.00 2.84 0.00 0.00 34.83 37.96 1k0s s MET 32 CO 0.04 -0.48 0.27 0.14 -0.65 0.00 0.00 175.02 174.34 1k0s s VAL 33 N -2.80 5.29 -0.07 10.11 -7.23 -1.26 -0.45 120.40 124.00 1k0s s VAL 33 Ca 0.15 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.39 1k0s s VAL 33 Cb -0.00 -3.58 0.04 0.00 0.56 0.00 0.00 36.38 33.40 1k0s s VAL 33 CO 0.02 0.30 0.13 0.27 -0.31 0.00 0.00 175.10 175.51 1k0s s ILE 34 N -1.36 -0.17 -0.56 -0.62 -4.36 0.18 -4.96 121.20 109.33 1k0s s ILE 34 Ca 0.30 0.33 -0.22 0.00 -0.26 0.00 0.00 60.65 60.79 1k0s s ILE 34 Cb -0.13 -0.24 0.05 0.00 1.25 0.00 0.00 42.46 43.40 1k0s s ILE 34 CO 0.18 0.14 0.86 -1.61 0.24 0.00 0.00 174.94 174.75 1k0s s GLU 35 N 1.96 3.22 -0.48 0.37 2.02 -1.26 -0.60 118.70 123.93 1k0s s GLU 35 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.47 1k0s s GLU 35 Cb -0.12 -4.11 0.24 0.00 0.10 0.00 0.00 34.13 30.25 1k0s s GLU 35 CO -0.05 -1.49 0.92 1.63 0.02 0.00 0.00 175.26 176.29 1k0s n LYS 36 N 7.15 0.73 0.00 1.61 5.02 -1.26 -4.95 118.16 126.45 1k0s n LYS 36 Ca -0.02 -1.65 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 1k0s n LYS 36 Cb 0.46 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1k0s n LYS 36 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k0s n SER 37 N 1.61 -1.55 -4.13 4.39 2.88 -1.26 -4.19 113.62 111.37 1k0s n SER 37 Ca 0.08 -0.17 -0.30 0.00 -1.33 0.00 0.00 58.87 57.15 1k0s n SER 37 Cb 0.64 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 1k0s n SER 37 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k0s n ASP 38 N -2.84 -0.59 0.00 -3.46 -0.08 -1.26 -4.94 116.55 103.39 1k0s n ASP 38 Ca 0.00 -1.09 0.00 0.00 -1.51 0.00 0.00 54.79 52.19 1k0s n ASP 38 Cb 0.00 -2.53 0.00 0.00 2.34 0.00 0.00 41.12 40.93 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1k0s n ILE 39 N -4.43 0.00 -3.74 5.18 5.41 -1.26 -4.96 119.36 115.56 1k0s n ILE 39 Ca -0.22 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.16 1k0s n ILE 39 Cb 0.64 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.46 1k0s n ILE 39 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1k0s s THR 40 N 0.12 4.87 0.00 1.39 2.01 -1.26 -4.92 115.64 117.86 1k0s s THR 40 Ca 0.00 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1k0s s THR 40 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1k0s s THR 40 CO 0.00 0.34 1.46 -0.81 -0.69 0.00 0.00 174.62 174.92 1k0s n PRO 41 N 4.59 0.90 -3.56 4.92 -0.04 -1.26 -3.84 135.00 136.70 1k0s n PRO 41 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.11 1k0s n PRO 41 Cb 0.52 -1.05 0.07 0.00 -0.04 0.00 0.00 33.50 32.99 1k0s n PRO 41 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k0s n VAL 42 N 1.18 -4.96 0.00 0.52 0.31 -1.24 -4.97 118.33 109.17 1k0s n VAL 42 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1k0s n VAL 42 Cb 0.45 -4.39 0.00 0.00 -0.91 0.00 0.00 33.84 28.99 1k0s n VAL 42 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1k0s n PRO 43 N -4.31 0.00 0.09 5.55 -0.02 -1.26 -4.43 135.00 130.61 1k0s n PRO 43 Ca -0.24 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.41 1k0s n PRO 43 Cb 0.65 -0.88 -0.08 0.00 -0.02 0.00 0.00 33.50 33.17 1k0s n PRO 43 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1k0s h LYS 44 N 0.00 0.24 -6.02 -0.52 5.09 -2.00 -3.47 116.57 109.88 1k0s h LYS 44 Ca 0.00 -0.32 -0.60 0.00 0.09 0.00 0.00 60.65 59.82 1k0s h LYS 44 Cb 0.00 0.11 0.18 0.00 0.10 0.00 0.00 32.23 32.62 1k0s h LYS 44 CO 0.00 1.08 -1.16 0.45 -2.09 0.00 0.00 179.45 177.74 1k0s n SER 45 N -3.59 -3.67 -1.74 7.07 2.88 -1.26 -4.80 113.62 108.51 1k0s n SER 45 Ca -0.05 0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 58.03 1k0s n SER 45 Cb 0.91 -0.86 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k0s n ARG 46 N 1.48 1.46 0.00 -1.46 5.12 -1.26 -4.85 116.66 117.15 1k0s n ARG 46 Ca 0.08 -0.83 0.00 0.00 -1.93 0.00 0.00 57.85 55.17 1k0s n ARG 46 Cb 0.48 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 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 1.03 0.00 0.02 -1.55 -0.00 -1.26 -4.58 115.22 108.87 1k0s n HIS 47 Ca 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.79 1k0s n HIS 47 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.51 1k0s n HIS 47 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.34 176.69 1k0s h PHE 48 N 0.00 -0.43 -3.12 1.57 3.57 -1.96 -3.41 116.94 113.16 1k0s h PHE 48 Ca 0.00 0.02 -0.53 0.00 3.53 0.00 0.00 57.97 60.99 1k0s h PHE 48 Cb 0.00 0.20 0.03 0.00 2.79 0.00 0.00 35.95 38.97 1k0s h PHE 48 CO 0.00 -0.24 0.72 0.08 -2.23 0.00 0.00 178.31 176.64 1k0s s VAL 49 N -6.13 3.17 0.06 1.41 1.01 -1.26 -4.59 120.40 114.07 1k0s s VAL 49 Ca -0.15 0.88 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 1k0s s VAL 49 Cb 0.10 -3.57 -0.29 0.00 0.00 0.00 0.00 36.38 32.62 1k0s s VAL 49 CO 0.67 0.09 1.11 1.05 0.00 0.00 0.00 175.10 178.03 1k0s h GLU 50 N 6.28 0.57 -3.19 2.72 4.11 -1.67 -3.43 114.58 119.98 1k0s h GLU 50 Ca -0.43 -0.78 -0.07 0.00 0.07 0.00 0.00 59.36 58.15 1k0s h GLU 50 Cb 1.21 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1k0s h GLU 50 CO 0.84 1.35 0.20 0.20 0.07 0.00 0.00 179.01 181.67 1k0s s GLY 51 N -4.47 0.59 0.25 1.06 0.00 -0.45 -3.65 107.32 100.63 1k0s s GLY 51 Ca -0.09 -0.90 -0.22 0.00 0.00 0.00 0.00 44.72 43.51 1k0s s GLY 51 CO 0.93 -0.44 0.82 -1.34 0.00 0.00 0.00 173.10 173.07 1k0s s VAL 52 N -2.33 0.00 -0.27 1.40 -7.23 -1.26 0.17 120.40 110.89 1k0s s VAL 52 Ca 0.18 -0.87 -0.24 0.00 -1.81 0.00 0.00 61.98 59.24 1k0s s VAL 52 Cb -0.04 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.79 1k0s s VAL 52 CO 0.13 0.00 0.71 0.27 -0.31 0.00 0.00 175.10 175.90 1k0s s ILE 53 N -3.40 -0.00 -0.22 -0.62 -4.36 -0.67 -4.04 121.20 107.89 1k0s s ILE 53 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.49 1k0s s ILE 53 Cb -0.04 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.68 1k0s s ILE 53 CO 0.06 0.00 -0.08 0.21 0.24 0.00 0.00 174.94 175.37 1k0s s ASN 54 N 0.51 4.08 -0.07 4.36 3.84 -1.26 -1.85 114.94 124.56 1k0s s ASN 54 Ca -0.01 -0.55 -0.05 0.00 0.21 0.00 0.00 52.86 52.46 1k0s s ASN 54 Cb -0.05 -1.67 0.03 0.00 -0.55 0.00 0.00 41.25 39.01 1k0s s ASN 54 CO -0.01 -0.04 0.17 -0.76 -2.79 0.00 0.00 177.10 173.66 1k0s s LEU 55 N 1.41 1.02 -1.47 3.21 2.01 0.30 -4.91 118.68 120.25 1k0s s LEU 55 Ca 0.04 0.35 -0.04 0.00 0.01 0.00 0.00 54.13 54.50 1k0s s LEU 55 Cb -0.15 0.52 0.00 0.00 0.01 0.00 0.00 46.19 46.58 1k0s s LEU 55 CO -0.05 -0.10 0.20 0.54 1.01 0.00 0.00 176.35 177.94 1k0s n ARG 56 N 3.58 -1.56 -3.59 1.70 5.12 -1.26 -0.09 116.66 120.56 1k0s n ARG 56 Ca -0.19 0.19 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1k0s n ARG 56 Cb 0.56 -3.78 0.08 0.00 -1.16 0.00 0.00 32.46 28.16 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 -2.35 -0.49 2.93 -0.13 0.00 -1.26 -5.00 105.19 98.88 1k0s n GLY 57 Ca -0.30 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -6.12 0.11 -0.06 1.61 3.52 0.87 -5.15 118.95 113.74 1k0s s ARG 58 Ca 0.45 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.70 1k0s s ARG 58 Cb -0.20 -0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 32.96 1k0s s ARG 58 CO 0.74 -0.32 -0.06 0.42 -0.81 0.00 0.00 175.30 175.27 1k0s s ILE 59 N 2.37 3.77 -0.05 4.11 1.09 -1.26 -0.54 121.20 130.70 1k0s s ILE 59 Ca 0.02 -0.51 -0.03 0.00 -1.10 0.00 0.00 60.65 59.04 1k0s s ILE 59 Cb -0.12 -2.57 0.02 0.00 -1.06 0.00 0.00 42.46 38.73 1k0s s ILE 59 CO -0.08 0.56 0.11 0.27 -0.10 0.00 0.00 174.94 175.70 1k0s s ILE 60 N -0.86 -0.03 -0.35 2.92 -5.25 -0.77 -4.63 121.20 112.23 1k0s s ILE 60 Ca 0.14 0.10 -0.14 0.00 -0.99 0.00 0.00 60.65 59.76 1k0s s ILE 60 Cb -0.11 -0.17 -0.01 0.00 2.95 0.00 0.00 42.46 45.12 1k0s s ILE 60 CO 0.03 0.04 0.27 -2.16 -1.79 0.00 0.00 174.94 171.33 1k0s s PRO 61 N 0.64 3.40 -0.01 0.37 0.04 -1.22 -1.67 135.00 136.55 1k0s s PRO 61 Ca -0.05 -0.69 -0.20 0.00 0.04 0.00 0.00 61.00 60.09 1k0s s PRO 61 Cb -0.07 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1k0s s PRO 61 CO -0.03 -0.51 0.59 0.14 0.04 0.00 0.00 177.00 177.23 1k0s s VAL 62 N 1.75 4.93 0.03 -0.36 -7.23 0.13 -1.09 120.40 118.56 1k0s s VAL 62 Ca 0.06 1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 61.42 1k0s s VAL 62 Cb -0.18 -3.93 -0.01 0.00 0.56 0.00 0.00 36.38 32.83 1k0s s VAL 62 CO 0.11 0.41 0.08 -0.69 -0.31 0.00 0.00 175.10 174.69 1k0s s VAL 63 N -0.13 0.13 -1.00 1.32 1.01 0.60 -1.35 120.40 120.98 1k0s s VAL 63 Ca 0.31 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 1k0s s VAL 63 Cb -0.18 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.29 1k0s s VAL 63 CO 0.17 -0.60 2.10 0.59 0.00 0.00 0.00 175.10 177.36 1k0s n ASN 64 N 0.88 3.74 -0.18 3.32 3.02 -1.26 -2.00 115.26 122.77 1k0s n ASN 64 Ca -0.20 -2.63 0.17 0.00 -0.03 0.00 0.00 54.58 51.90 1k0s n ASN 64 Cb 0.58 -1.25 0.52 0.00 -0.61 0.00 0.00 39.78 39.02 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 11.36 0.37 -2.61 3.41 6.46 -1.84 0.71 115.31 133.17 1k0s h LEU 65 Ca 0.50 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1k0s h LEU 65 Cb 0.53 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1k0s h LEU 65 CO 1.83 0.18 -0.01 0.00 -0.62 0.00 0.00 178.44 179.81 1k0s h ALA 66 N 1.63 1.19 0.00 1.25 0.00 -1.83 0.19 119.26 121.70 1k0s h ALA 66 Ca 0.40 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 1k0s h ALA 66 Cb 0.97 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1k0s h ALA 66 CO -0.13 0.02 -0.49 -0.22 0.00 0.00 0.00 179.25 178.43 1k0s h LYS 67 N 0.00 0.00 -1.00 0.00 3.11 0.22 1.32 116.57 120.22 1k0s h LYS 67 Ca -0.00 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 57.97 1k0s h LYS 67 Cb 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.22 1k0s h LYS 67 CO 0.00 0.99 0.62 0.97 -2.81 0.00 0.00 179.45 179.22 1k0s h ILE 68 N -1.00 0.90 0.03 2.00 2.10 -0.90 -0.72 117.51 119.92 1k0s h ILE 68 Ca -0.13 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.39 1k0s h ILE 68 Cb 1.11 -0.15 0.01 0.00 -1.09 0.00 0.00 36.82 36.69 1k0s h ILE 68 CO -0.08 0.18 -0.33 0.25 -1.08 0.00 0.00 178.15 177.08 1k0s h LEU 69 N 0.96 0.24 0.00 2.19 7.12 -0.74 -3.49 115.31 121.59 1k0s h LEU 69 Ca 0.50 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1k0s h LEU 69 Cb 0.53 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.58 1k0s h LEU 69 CO -0.28 1.08 0.00 0.61 -0.13 0.00 0.00 178.44 179.72 1k0s n GLY 70 N 1.31 1.70 0.91 3.75 0.00 0.45 -5.03 105.19 108.28 1k0s n GLY 70 Ca -0.11 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.21 1k0s n GLY 70 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k0s n ILE 71 N 0.00 -0.23 -0.39 -0.61 -5.35 -1.25 -3.96 119.36 107.57 1k0s n ILE 71 Ca 0.00 0.32 0.32 0.00 -0.27 0.00 0.00 62.75 63.12 1k0s n ILE 71 Cb 0.00 -0.53 0.62 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.18 0.28 -0.76 7.28 0.87 -1.90 -3.42 113.55 114.71 1k0s h SER 72 Ca -0.07 0.09 -0.37 0.00 -1.23 0.00 0.00 61.79 60.21 1k0s h SER 72 Cb 0.84 0.05 0.08 0.00 -0.44 0.00 0.00 62.40 62.93 1k0s h SER 72 CO 0.03 -0.03 -0.42 0.33 -0.53 0.00 0.00 176.83 176.21 1k0s n PHE 73 N -4.55 -0.73 -2.58 2.24 7.35 -1.25 -4.92 117.46 113.02 1k0s n PHE 73 Ca 0.31 0.46 -0.01 0.00 -0.76 0.00 0.00 57.45 57.45 1k0s n PHE 73 Cb 1.20 -1.07 0.04 0.00 0.35 0.00 0.00 39.48 39.99 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 1.24 -0.63 -3.14 -2.13 2.03 -1.26 -4.93 116.55 107.73 1k0s n ASP 74 Ca 0.08 -1.47 -0.20 0.00 0.52 0.00 0.00 54.79 53.73 1k0s n ASP 74 Cb 0.18 0.37 0.07 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 -0.51 -6.65 -0.03 -0.67 1.02 -1.26 -4.94 120.64 107.59 1k0s n GLU 75 Ca -0.09 0.71 -0.14 0.00 -0.02 0.00 0.00 57.16 57.63 1k0s n GLU 75 Cb 0.64 -5.39 -0.10 0.00 -0.02 0.00 0.00 31.44 26.56 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 -2.21 0.08 0.00 3.49 1.08 -1.95 -3.42 115.11 112.18 1k0s h GLN 76 Ca -0.49 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 1k0s h GLN 76 Cb 1.31 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1k0s h GLN 76 CO 0.47 0.68 -0.18 1.17 -0.95 0.00 0.00 178.83 180.02 1k0s n LYS 77 N -4.71 0.00 -1.59 1.46 3.00 -1.26 -5.13 118.16 109.93 1k0s n LYS 77 Ca -0.09 -0.38 -0.40 0.00 -0.00 0.00 0.00 58.31 57.45 1k0s n LYS 77 Cb 0.35 -0.20 0.03 0.00 0.00 0.00 0.00 35.03 35.21 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1k0s n MET 78 N 0.00 1.09 0.00 1.64 2.81 -1.26 -4.46 117.12 116.94 1k0s n MET 78 Ca 0.00 0.40 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1k0s n MET 78 Cb 0.57 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 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 -0.28 0.00 -3.19 0.03 5.02 0.37 -4.80 118.16 115.30 1k0s n LYS 79 Ca 0.11 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.01 1k0s n LYS 79 Cb 0.43 -0.01 -0.05 0.00 -0.02 0.00 0.00 35.03 35.38 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 -1.66 6.93 0.27 4.39 0.01 0.15 -4.40 113.70 119.39 1k0s s SER 80 Ca 0.00 1.12 -0.10 0.00 1.31 0.00 0.00 55.95 58.28 1k0s s SER 80 Cb 0.00 -2.36 -0.07 0.00 0.21 0.00 0.00 66.02 63.80 1k0s s SER 80 CO 0.00 0.05 0.61 -0.63 0.41 0.00 0.00 173.24 173.67 1k0s s ILE 81 N 0.10 4.88 0.22 1.44 1.01 0.24 -0.41 121.20 128.68 1k0s s ILE 81 Ca 0.31 0.52 0.10 0.00 0.00 0.00 0.00 60.65 61.58 1k0s s ILE 81 Cb -0.18 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1k0s s ILE 81 CO 0.16 -0.17 -0.09 -0.63 0.00 0.00 0.00 174.94 174.21 1k0s s ILE 82 N -1.94 3.12 0.05 2.92 1.01 0.28 0.48 121.20 127.12 1k0s s ILE 82 Ca 0.49 -1.84 0.03 0.00 0.00 0.00 0.00 60.65 59.33 1k0s s ILE 82 Cb -0.11 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1k0s s ILE 82 CO 0.23 -0.22 -0.10 -0.69 0.00 0.00 0.00 174.94 174.15 1k0s s VAL 83 N -1.97 0.78 0.33 2.92 1.01 0.41 -1.77 120.40 122.10 1k0s s VAL 83 Ca 0.27 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1k0s s VAL 83 Cb -0.08 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1k0s s VAL 83 CO 0.16 -0.25 0.57 0.00 0.00 0.00 0.00 175.10 175.59 1k0s s ALA 84 N -1.19 -0.01 -0.04 5.51 0.00 0.29 0.36 121.76 126.68 1k0s s ALA 84 Ca -0.05 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1k0s s ALA 84 Cb -0.09 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1k0s s ALA 84 CO 0.01 -0.87 -0.07 0.50 0.00 0.00 0.00 175.76 175.33 1k0s s ARG 85 N -3.15 0.95 -0.27 0.00 3.52 0.39 0.27 118.95 120.66 1k0s s ARG 85 Ca 0.23 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.58 1k0s s ARG 85 Cb -0.02 -0.89 0.10 0.00 -1.56 0.00 0.00 34.95 32.58 1k0s s ARG 85 CO 0.14 0.01 0.16 0.95 -0.81 0.00 0.00 175.30 175.75 1k0s s THR 86 N 0.55 -0.15 -1.45 4.11 -4.23 0.36 -4.59 115.64 110.26 1k0s s THR 86 Ca -0.08 -0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1k0s s THR 86 Cb -0.12 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.85 1k0s s THR 86 CO 0.01 -0.58 0.50 1.17 -0.54 0.00 0.00 174.62 175.17 1k0s n LYS 87 N 5.27 -3.45 -1.72 3.99 3.00 -1.26 -0.73 118.16 123.26 1k0s n LYS 87 Ca -0.05 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 1k0s n LYS 87 Cb 0.44 -4.67 0.00 0.00 0.00 0.00 0.00 35.03 30.80 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 -2.94 -1.52 -3.96 3.14 8.00 -1.26 -5.04 116.55 112.97 1k0s n ASP 88 Ca -0.25 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 54.95 1k0s n ASP 88 Cb 0.65 -0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 41.10 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 -2.00 1.66 -0.72 2.53 1.01 0.09 -5.06 120.40 117.92 1k0s s VAL 89 Ca 0.00 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 1k0s s VAL 89 Cb 0.00 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1k0s s VAL 89 CO 0.00 -0.14 1.00 -0.70 0.00 0.00 0.00 175.10 175.26 1k0s s GLU 90 N 1.32 3.21 0.42 2.72 2.12 -1.25 0.14 118.70 127.39 1k0s s GLU 90 Ca -0.05 -1.03 -0.06 0.00 0.36 0.00 0.00 54.97 54.20 1k0s s GLU 90 Cb -0.19 -4.39 -0.04 0.00 0.26 0.00 0.00 34.13 29.77 1k0s s GLU 90 CO -0.07 -1.81 0.72 0.08 -0.54 0.00 0.00 175.26 173.64 1k0s s VAL 91 N 3.79 4.92 0.01 3.70 1.01 0.14 -3.42 120.40 130.55 1k0s s VAL 91 Ca 0.24 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.44 1k0s s VAL 91 Cb -0.14 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1k0s s VAL 91 CO 0.06 -0.68 -0.08 -0.83 0.00 0.00 0.00 175.10 173.57 1k0s s GLY 92 N -3.77 0.45 -0.06 4.51 0.00 -0.25 0.10 107.32 108.30 1k0s s GLY 92 Ca 0.47 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1k0s s GLY 92 CO 0.39 -0.46 -0.08 -0.12 0.00 0.00 0.00 173.10 172.83 1k0s s PHE 93 N -0.53 1.13 -0.02 1.90 5.36 -0.73 -0.29 117.98 124.79 1k0s s PHE 93 Ca -0.00 -0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 55.36 1k0s s PHE 93 Cb -0.05 -0.90 -0.05 0.00 -0.34 0.00 0.00 43.02 41.68 1k0s s PHE 93 CO 0.00 -0.26 0.61 -1.17 -1.46 0.00 0.00 175.22 172.94 1k0s s LEU 94 N 0.89 4.39 0.00 6.12 2.96 -0.85 1.00 118.68 133.18 1k0s s LEU 94 Ca -0.11 1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.94 1k0s s LEU 94 Cb -0.15 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.60 1k0s s LEU 94 CO 0.01 0.05 0.24 1.33 -1.32 0.00 0.00 176.35 176.66 1k0s n VAL 95 N 3.02 0.00 -0.03 1.68 0.24 0.46 -4.65 118.33 119.05 1k0s n VAL 95 Ca -0.06 -1.00 -0.06 0.00 -2.04 0.00 0.00 64.34 61.18 1k0s n VAL 95 Cb 0.51 0.59 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 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 -1.93 1.45 -3.97 -1.34 2.03 -1.26 0.14 116.55 111.66 1k0s n ASP 96 Ca 0.01 0.23 -0.27 0.00 0.52 0.00 0.00 54.79 55.27 1k0s n ASP 96 Cb 0.31 -0.52 -0.17 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.43 1.80 -0.22 -0.67 3.52 -1.26 -3.85 118.95 115.85 1k0s s ARG 97 Ca -0.15 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1k0s s ARG 97 Cb 0.03 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.75 1k0s s ARG 97 CO 0.22 -0.18 -0.11 0.54 -0.81 0.00 0.00 175.30 174.97 1k0s s VAL 98 N 1.36 2.67 0.31 7.11 0.11 -1.26 0.40 120.40 131.10 1k0s s VAL 98 Ca -0.00 -0.90 0.13 0.00 -2.93 0.00 0.00 61.98 58.28 1k0s s VAL 98 Cb -0.14 -2.26 0.06 0.00 -1.53 0.00 0.00 36.38 32.52 1k0s s VAL 98 CO -0.05 0.36 1.75 -0.07 -3.33 0.00 0.00 175.10 173.75 1k0s h LEU 99 N 8.00 0.00 0.00 2.54 -0.00 0.84 -3.47 115.31 123.22 1k0s h LEU 99 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 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 0.60 0.45 0.00 0.61 -0.00 0.00 0.00 178.44 180.10 1k0s n GLY 100 N -0.13 1.06 3.62 0.83 0.00 -0.03 -4.89 105.19 105.65 1k0s n GLY 100 Ca -0.01 -0.88 -0.49 0.00 0.00 0.00 0.00 46.02 44.64 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 0.45 -4.18 1.61 0.31 -1.25 -0.33 118.33 114.95 1k0s n VAL 101 Ca 0.00 -0.11 -0.16 0.00 -0.01 0.00 0.00 64.34 64.06 1k0s n VAL 101 Cb 0.00 -1.08 -0.14 0.00 -0.91 0.00 0.00 33.84 31.70 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 0.55 2.00 -1.25 7.52 2.96 0.45 -4.78 118.68 126.13 1k0s s LEU 102 Ca 0.77 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.45 1k0s s LEU 102 Cb -0.81 -0.29 0.16 0.00 0.50 0.00 0.00 46.19 45.75 1k0s s LEU 102 CO 0.47 0.07 1.63 -2.11 -1.32 0.00 0.00 176.35 175.09 1k0s n ARG 103 N 2.95 3.44 -2.45 1.98 1.85 -1.26 -0.83 116.66 122.34 1k0s n ARG 103 Ca -0.13 -3.68 -0.24 0.00 -1.00 0.00 0.00 57.85 52.80 1k0s n ARG 103 Cb 0.58 -3.03 0.05 0.00 -1.05 0.00 0.00 32.46 29.01 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 1.32 2.85 0.05 8.89 -1.09 0.13 -4.87 121.20 128.47 1k0s s ILE 104 Ca 0.42 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1k0s s ILE 104 Cb 0.02 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 1k0s s ILE 104 CO 0.01 -0.13 -0.13 0.42 -1.23 0.00 0.00 174.94 173.88 1k0s s THR 105 N -2.98 0.98 -0.95 2.92 -4.23 -1.26 0.13 115.64 110.24 1k0s s THR 105 Ca 0.57 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1k0s s THR 105 Cb -0.10 -0.93 0.28 0.00 1.34 0.00 0.00 72.50 73.08 1k0s s THR 105 CO 0.42 -0.16 1.18 1.21 -0.54 0.00 0.00 174.62 176.74 1k0s n GLU 106 N 1.60 3.69 -0.60 3.99 2.13 -1.22 -4.62 120.64 125.62 1k0s n GLU 106 Ca -0.20 -4.57 0.06 0.00 0.66 0.00 0.00 57.16 53.11 1k0s n GLU 106 Cb 0.55 -2.44 0.28 0.00 0.27 0.00 0.00 31.44 30.10 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 1.42 4.17 -2.67 4.31 5.03 -1.25 -4.44 115.26 121.83 1k0s n ASN 107 Ca 0.26 -3.08 -0.05 0.00 0.87 0.00 0.00 54.58 52.58 1k0s n ASN 107 Cb 0.36 -0.59 0.08 0.00 -1.02 0.00 0.00 39.78 38.61 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 -0.35 0.15 0.00 3.52 10.64 -1.26 -4.88 117.38 125.21 1k0s n GLN 108 Ca 0.25 -0.74 0.00 0.00 -1.83 0.00 0.00 57.00 54.69 1k0s n GLN 108 Cb 1.00 -0.26 0.00 0.00 -0.86 0.00 0.00 30.24 30.12 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 1.38 0.00 -3.61 2.61 4.77 -1.26 -4.63 117.00 116.26 1k0s n LEU 109 Ca 0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.85 1k0s n LEU 109 Cb 0.71 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.81 1k0s n LEU 109 CO -0.13 -0.10 0.24 -0.62 -1.33 0.00 0.00 177.39 175.45 1k0s s ASP 110 N -1.86 -0.40 0.00 -1.43 2.15 -1.26 -4.87 116.67 109.00 1k0s s ASP 110 Ca 0.00 0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1k0s s ASP 110 Cb 0.00 0.47 0.00 0.00 -0.30 0.00 0.00 42.92 43.09 1k0s s ASP 110 CO 0.00 -0.68 0.00 -0.11 -0.17 0.00 0.00 175.17 174.21 1k0s n LEU 111 N 0.51 0.00 -0.09 -1.34 7.94 -1.26 -4.33 117.00 118.43 1k0s n LEU 111 Ca -0.19 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.62 1k0s n LEU 111 Cb 0.60 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 1k0s n LEU 111 CO 0.20 0.00 0.93 0.00 -1.11 0.00 0.00 177.39 177.41 1k0s h THR 112 N 0.00 1.14 -6.83 1.96 1.03 -1.93 -3.46 112.91 104.82 1k0s h THR 112 Ca 0.00 -0.40 -0.57 0.00 -0.01 0.00 0.00 66.41 65.44 1k0s h THR 112 Cb 0.00 0.87 -0.18 0.00 -1.07 0.00 0.00 68.15 67.78 1k0s h THR 112 CO 0.00 0.15 -0.91 0.59 -0.01 0.00 0.00 175.52 175.34 1k0s n ASN 113 N -4.80 -0.70 -0.11 0.00 4.13 -1.26 -4.85 115.26 107.67 1k0s n ASN 113 Ca -0.02 -1.13 -0.09 0.00 1.68 0.00 0.00 54.58 55.02 1k0s n ASN 113 Cb 0.09 -2.34 -0.02 0.00 -1.54 0.00 0.00 39.78 35.97 1k0s n ASN 113 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1k0s h VAL 114 N -1.63 1.18 0.00 2.41 2.07 -1.90 -3.48 116.25 114.90 1k0s h VAL 114 Ca -0.63 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1k0s h VAL 114 Cb 1.39 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1k0s h VAL 114 CO 0.72 0.19 0.00 -0.24 0.02 0.00 0.00 177.57 178.26 1k0s n SER 115 N -4.72 0.00 -0.20 0.57 2.88 -1.26 -5.00 113.62 105.88 1k0s n SER 115 Ca -0.01 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.73 1k0s n SER 115 Cb 0.13 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.15 1k0s n SER 115 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1k0s h ASP 116 N 0.00 0.30 0.00 -3.46 5.19 -1.90 -3.45 116.42 113.10 1k0s h ASP 116 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1k0s h ASP 116 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1k0s h ASP 116 CO 0.00 0.13 0.00 0.29 -3.12 0.00 0.00 179.24 176.54 1k0s n LYS 117 N -4.46 0.00 -0.07 3.56 4.76 -1.26 -3.69 118.16 117.01 1k0s n LYS 117 Ca 0.18 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.47 1k0s n LYS 117 Cb 0.72 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.86 1k0s n LYS 117 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1k0s n PHE 118 N 0.00 0.00 0.00 2.13 -0.00 -1.26 -4.91 117.46 113.42 1k0s n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1k0s n PHE 118 Cb 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 39.48 38.97 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 2.07 -0.54 0.13 7.13 0.00 -1.24 -4.97 105.19 107.77 1k0s n GLY 119 Ca -0.27 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.28 -0.65 1.61 1.57 -2.01 -3.36 116.57 114.02 1k0s h LYS 120 Ca 0.00 -0.48 0.13 0.00 -1.87 0.00 0.00 60.65 58.43 1k0s h LYS 120 Cb 0.00 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1k0s h LYS 120 CO 0.00 1.16 0.44 -0.22 -0.57 0.00 0.00 179.45 180.26 1k0s h LYS 121 N 0.08 0.33 0.00 3.15 1.63 -1.93 -3.43 116.57 116.39 1k0s h LYS 121 Ca -0.35 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1k0s h LYS 121 Cb 2.05 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.61 1k0s h LYS 121 CO 0.13 0.22 0.00 0.45 -3.45 0.00 0.00 179.45 176.80 1k0s n SER 122 N -4.46 0.01 0.00 4.20 2.88 -1.26 0.09 113.62 115.09 1k0s n SER 122 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1k0s n SER 122 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1k0s n SER 122 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1k0s n LYS 123 N 0.00 0.21 -2.47 -1.46 4.76 -1.26 -4.21 118.16 113.74 1k0s n LYS 123 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1k0s n LYS 123 Cb 0.00 -0.04 -0.04 0.00 -1.84 0.00 0.00 35.03 33.11 1k0s n LYS 123 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k0s s GLY 124 N -0.54 2.93 -0.51 0.72 0.00 0.91 -4.21 107.32 106.62 1k0s s GLY 124 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 44.72 45.67 1k0s s GLY 124 CO 0.00 1.62 0.69 -0.10 0.00 0.00 0.00 173.10 175.31 1k0s n LEU 125 N 1.79 -3.18 -4.93 0.66 -0.00 -1.26 -1.94 117.00 108.14 1k0s n LEU 125 Ca 0.01 -3.06 -0.26 0.00 -0.00 0.00 0.00 56.01 52.70 1k0s n LEU 125 Cb 0.45 0.74 0.02 0.00 -0.00 0.00 0.00 43.42 44.63 1k0s n LEU 125 CO 0.54 1.93 0.43 0.54 -0.00 0.00 0.00 177.39 180.83 1k0s s VAL 126 N 0.79 4.05 -0.28 1.96 0.11 0.76 -4.93 120.40 122.86 1k0s s VAL 126 Ca 0.30 -0.12 -0.18 0.00 -2.93 0.00 0.00 61.98 59.04 1k0s s VAL 126 Cb 0.01 -3.55 0.10 0.00 -1.53 0.00 0.00 36.38 31.40 1k0s s VAL 126 CO -0.07 -0.50 0.82 -0.75 -3.33 0.00 0.00 175.10 171.27 1k0s s LYS 127 N -4.79 0.61 0.09 1.54 2.20 -1.26 0.85 119.74 118.98 1k0s s LYS 127 Ca 0.50 0.95 -0.25 0.00 -0.36 0.00 0.00 55.97 56.81 1k0s s LYS 127 Cb -0.10 0.18 0.08 0.00 -1.51 0.00 0.00 37.83 36.47 1k0s s LYS 127 CO 0.43 -0.11 0.69 0.99 -0.36 0.00 0.00 175.35 176.98 1k0s s THR 128 N 1.19 0.00 -1.39 3.43 2.01 0.13 -4.95 115.64 116.06 1k0s s THR 128 Ca -0.07 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 1k0s s THR 128 Cb -0.05 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1k0s s THR 128 CO -0.14 0.00 0.38 -0.90 -0.69 0.00 0.00 174.62 173.27 1k0s n ASP 129 N -0.20 -1.16 -3.55 3.53 5.75 -1.26 0.14 116.55 119.80 1k0s n ASP 129 Ca -0.15 -1.14 -0.26 0.00 -0.01 0.00 0.00 54.79 53.22 1k0s n ASP 129 Cb 0.63 -2.41 0.01 0.00 -1.03 0.00 0.00 41.12 38.32 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k0s n GLY 130 N -2.16 -0.49 3.01 6.12 0.00 -1.26 -4.94 105.19 105.47 1k0s n GLY 130 Ca -0.26 0.13 -0.13 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 -6.23 0.16 0.17 1.61 1.70 0.12 -5.15 118.95 111.33 1k0s s ARG 131 Ca 0.50 0.58 -0.16 0.00 -0.47 0.00 0.00 55.73 56.17 1k0s s ARG 131 Cb -0.25 -0.12 -0.07 0.00 -0.57 0.00 0.00 34.95 33.94 1k0s s ARG 131 CO 0.61 -0.21 0.60 -0.48 -1.08 0.00 0.00 175.30 174.74 1k0s s LEU 132 N 1.65 4.34 -0.01 -1.89 -0.00 -1.26 0.21 118.68 121.73 1k0s s LEU 132 Ca -0.05 1.18 0.02 0.00 -0.00 0.00 0.00 54.13 55.28 1k0s s LEU 132 Cb -0.11 -3.35 -0.01 0.00 -0.00 0.00 0.00 46.19 42.72 1k0s s LEU 132 CO -0.08 0.08 -0.08 -0.63 -0.00 0.00 0.00 176.35 175.65 1k0s s ILE 133 N -1.48 0.62 0.15 1.48 1.01 0.25 -2.58 121.20 120.66 1k0s s ILE 133 Ca 0.39 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 1k0s s ILE 133 Cb -0.15 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.72 1k0s s ILE 133 CO 0.20 0.18 0.60 -0.63 0.00 0.00 0.00 174.94 175.28 1k0s s ILE 134 N -0.16 4.75 -0.01 2.92 -1.09 0.19 -0.17 121.20 127.63 1k0s s ILE 134 Ca 0.03 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1k0s s ILE 134 Cb -0.03 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1k0s s ILE 134 CO -0.00 0.30 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.54 1k0s s TYR 135 N -1.40 0.16 0.08 3.97 5.04 -0.82 0.68 117.35 125.06 1k0s s TYR 135 Ca 0.37 0.00 0.06 0.00 -2.44 0.00 0.00 57.07 55.06 1k0s s TYR 135 Cb -0.16 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.94 1k0s s TYR 135 CO 0.20 -0.04 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.70 1k0s s LEU 136 N 0.34 2.28 -0.16 6.97 1.02 0.10 -0.06 118.68 129.17 1k0s s LEU 136 Ca -0.03 -0.62 0.17 0.00 0.02 0.00 0.00 54.13 53.67 1k0s s LEU 136 Cb -0.05 -0.60 0.45 0.00 0.02 0.00 0.00 46.19 46.01 1k0s s LEU 136 CO -0.01 -0.04 1.34 -0.67 0.02 0.00 0.00 176.35 176.99 1k0s n ASP 137 N 1.27 3.41 -1.09 2.29 -0.08 -1.26 -2.22 116.55 118.87 1k0s n ASP 137 Ca -0.21 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1k0s n ASP 137 Cb 0.54 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 -0.74 0.00 -0.05 5.18 3.06 -1.26 -4.75 119.36 120.79 1k0s n ILE 138 Ca 0.19 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.44 1k0s n ILE 138 Cb 0.80 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.98 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 0.56 9.51 3.58 -1.93 -2.50 116.42 125.64 1k0s h ASP 139 Ca 0.00 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.26 1k0s h ASP 139 Cb 0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 1k0s h ASP 139 CO 0.00 0.50 -0.84 0.11 -2.88 0.00 0.00 179.24 176.14 1k0s h LYS 140 N -0.92 0.20 -0.23 0.28 6.56 -1.83 -2.54 116.57 118.09 1k0s h LYS 140 Ca 0.00 -0.20 -0.06 0.00 -1.06 0.00 0.00 60.65 59.32 1k0s h LYS 140 Cb 0.09 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1k0s h LYS 140 CO 0.00 0.92 -0.11 0.97 -2.06 0.00 0.00 179.45 179.18 1k0s h ILE 141 N 0.12 1.30 -0.35 1.86 -0.00 -0.54 -2.41 117.51 117.48 1k0s h ILE 141 Ca -0.04 -1.17 -0.01 0.00 -0.00 0.00 0.00 64.86 63.64 1k0s h ILE 141 Cb 1.45 1.58 -0.02 0.00 -0.00 0.00 0.00 36.82 39.83 1k0s h ILE 141 CO 0.13 0.36 0.18 -0.29 -0.00 0.00 0.00 178.15 178.53 1k0s h ILE 142 N 0.19 1.15 -0.83 2.19 6.09 -1.46 -1.29 117.51 123.55 1k0s h ILE 142 Ca 0.05 -0.42 0.18 0.00 -1.37 0.00 0.00 64.86 63.31 1k0s h ILE 142 Cb 0.60 0.78 -0.11 0.00 0.47 0.00 0.00 36.82 38.56 1k0s h ILE 142 CO 0.03 0.16 0.32 -0.33 -3.07 0.00 0.00 178.15 175.26 1k0s h GLU 143 N 0.44 0.38 -0.13 2.19 5.08 -1.38 0.85 114.58 122.01 1k0s h GLU 143 Ca 0.12 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1k0s h GLU 143 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1k0s h GLU 143 CO -0.02 0.25 -0.25 0.93 -1.00 0.00 0.00 179.01 178.93 1k0s h GLU 144 N 0.40 0.23 -0.80 2.33 4.39 -0.89 -0.85 114.58 119.38 1k0s h GLU 144 Ca 0.49 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 60.14 1k0s h GLU 144 Cb 0.86 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 1k0s h GLU 144 CO -0.49 0.47 0.52 0.82 -1.16 0.00 0.00 179.01 179.17 1k0s h ILE 145 N 0.21 1.14 0.00 3.13 2.04 0.18 0.54 117.51 124.76 1k0s h ILE 145 Ca 0.03 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1k0s h ILE 145 Cb 0.56 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1k0s h ILE 145 CO 0.04 0.19 -0.00 0.71 0.00 0.00 0.00 178.15 179.09 1k0s h THR 146 N 1.02 1.74 0.00 -0.27 1.35 -1.07 -3.30 112.91 112.39 1k0s h THR 146 Ca 0.32 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1k0s h THR 146 Cb -0.02 3.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1k0s h THR 146 CO -0.10 0.59 0.00 0.55 -0.25 0.00 0.00 175.52 176.31 1k0s n VAL 147 N -4.62 0.00 -0.28 6.82 3.14 -0.35 -4.00 118.33 119.04 1k0s n VAL 147 Ca -0.10 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.37 1k0s n VAL 147 Cb 0.46 -0.56 0.22 0.00 -1.06 0.00 0.00 33.84 32.90 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 0.12 -6.68 1.45 2.10 0.01 -3.39 116.57 110.18 1k0s h LYS 148 Ca 0.00 -0.01 -0.52 0.00 -2.00 0.00 0.00 60.65 58.12 1k0s h LYS 148 Cb 0.00 -0.03 0.04 0.00 -0.90 0.00 0.00 32.23 31.34 1k0s h LYS 148 CO 0.00 0.08 0.67 -1.83 -2.00 0.00 0.00 179.45 176.37 1k0s s GLU 149 N -6.04 4.37 0.00 0.07 -1.05 -1.26 -4.86 118.70 109.93 1k0s s GLU 149 Ca -0.13 2.09 0.00 0.00 -0.15 0.00 0.00 54.97 56.78 1k0s s GLU 149 Cb 0.24 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.75 1k0s s GLU 149 CO 0.76 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 177.10 1k0s n GLY 150 N 2.40 0.00 0.00 -3.83 0.00 -1.26 -5.13 105.19 97.37 1k0s n GLY 150 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70