#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 -1.94 0.10 3.17 4.76 -1.26 -4.84 118.16 118.14 1k0s n LYS 2 Ca 0.00 0.83 0.20 0.00 -2.87 0.00 0.00 58.31 56.46 1k0s n LYS 2 Cb 0.00 -5.37 0.69 0.00 -1.84 0.00 0.00 35.03 28.51 1k0s n LYS 2 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k0s h THR 3 N -0.85 0.24 -0.96 -0.18 1.03 -2.12 0.21 112.91 110.28 1k0s h THR 3 Ca -0.50 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 65.98 1k0s h THR 3 Cb 1.25 0.53 -0.07 0.00 -1.07 0.00 0.00 68.15 68.80 1k0s h THR 3 CO 0.38 0.00 0.62 -0.07 -0.01 0.00 0.00 175.52 176.44 1k0s h LEU 4 N 0.00 0.95 -9.72 0.00 3.38 -2.11 -3.41 115.31 104.40 1k0s h LEU 4 Ca 0.20 0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.66 1k0s h LEU 4 Cb 1.31 -0.19 0.07 0.00 0.09 0.00 0.00 40.66 41.94 1k0s h LEU 4 CO -0.00 0.59 0.95 0.00 0.09 0.00 0.00 178.44 180.07 1k0s s ALA 5 N -5.95 3.84 -0.21 1.53 0.00 0.73 -4.96 121.76 116.75 1k0s s ALA 5 Ca -0.12 1.57 -0.36 0.00 0.00 0.00 0.00 51.96 53.05 1k0s s ALA 5 Cb 0.20 -3.67 0.15 0.00 0.00 0.00 0.00 23.12 19.81 1k0s s ALA 5 CO 0.81 -0.94 1.37 0.34 0.00 0.00 0.00 175.76 177.34 1k0s s ASP 6 N 0.87 -0.03 -0.28 0.00 2.15 -1.26 -5.06 116.67 113.05 1k0s s ASP 6 Ca 0.69 -0.01 -0.24 0.00 0.43 0.00 0.00 52.55 53.42 1k0s s ASP 6 Cb -0.48 0.04 0.11 0.00 -0.30 0.00 0.00 42.92 42.29 1k0s s ASP 6 CO 0.39 -0.07 0.96 0.00 -0.17 0.00 0.00 175.17 176.28 1k0s s ALA 7 N -2.11 -1.95 -0.89 3.66 0.00 -1.26 -4.98 121.76 114.23 1k0s s ALA 7 Ca 0.12 1.95 -0.04 0.00 0.00 0.00 0.00 51.96 53.99 1k0s s ALA 7 Cb 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.73 1k0s s ALA 7 CO -0.04 -0.27 0.77 1.28 0.00 0.00 0.00 175.76 177.50 1k0s n LEU 8 N 2.47 -3.15 -0.06 0.00 4.77 -1.26 -4.96 117.00 114.80 1k0s n LEU 8 Ca -0.13 -0.40 -0.20 0.00 -0.03 0.00 0.00 56.01 55.26 1k0s n LEU 8 Cb 0.56 -2.28 -0.13 0.00 -2.33 0.00 0.00 43.42 39.24 1k0s n LEU 8 CO 0.02 0.38 -0.24 0.07 -1.33 0.00 0.00 177.39 176.29 1k0s h LYS 9 N -1.65 0.07 -6.01 3.23 2.10 -1.94 -3.40 116.57 108.97 1k0s h LYS 9 Ca -0.40 -0.11 -0.60 0.00 -2.00 0.00 0.00 60.65 57.54 1k0s h LYS 9 Cb 1.25 0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 32.50 1k0s h LYS 9 CO 0.37 1.05 -0.65 -1.21 -2.00 0.00 0.00 179.45 177.01 1k0s s GLU 10 N -2.35 1.96 -0.24 0.07 2.02 -1.26 -2.83 118.70 116.07 1k0s s GLU 10 Ca -0.24 -1.81 -0.19 0.00 0.02 0.00 0.00 54.97 52.75 1k0s s GLU 10 Cb 0.03 -1.84 0.06 0.00 0.10 0.00 0.00 34.13 32.48 1k0s s GLU 10 CO 0.67 0.16 0.61 0.12 0.02 0.00 0.00 175.26 176.85 1k0s s PHE 11 N -2.54 -0.75 0.08 1.61 5.36 0.24 -4.72 117.98 117.26 1k0s s PHE 11 Ca 0.33 1.72 -0.20 0.00 -0.96 0.00 0.00 56.93 57.82 1k0s s PHE 11 Cb 0.00 0.31 -0.07 0.00 -0.34 0.00 0.00 43.02 42.93 1k0s s PHE 11 CO 0.18 -0.37 0.59 -1.21 -1.46 0.00 0.00 175.22 172.95 1k0s s GLU 12 N 0.68 4.24 0.29 10.12 2.02 -1.25 0.47 118.70 135.26 1k0s s GLU 12 Ca -0.03 0.78 -0.16 0.00 0.02 0.00 0.00 54.97 55.58 1k0s s GLU 12 Cb -0.05 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1k0s s GLU 12 CO -0.04 0.63 0.62 0.54 0.02 0.00 0.00 175.26 177.02 1k0s s VAL 13 N -1.09 0.00 0.03 2.63 0.11 -0.06 -4.44 120.40 117.59 1k0s s VAL 13 Ca 0.30 -1.20 -0.20 0.00 -2.93 0.00 0.00 61.98 57.95 1k0s s VAL 13 Cb -0.20 -2.24 -0.06 0.00 -1.53 0.00 0.00 36.38 32.35 1k0s s VAL 13 CO 0.20 0.00 0.59 -0.22 -3.33 0.00 0.00 175.10 172.34 1k0s s LEU 14 N -3.00 4.47 0.03 2.54 1.98 -0.90 0.14 118.68 123.94 1k0s s LEU 14 Ca 0.17 1.21 -0.13 0.00 -2.89 0.00 0.00 54.13 52.50 1k0s s LEU 14 Cb -0.03 -2.92 0.02 0.00 0.66 0.00 0.00 46.19 43.91 1k0s s LEU 14 CO 0.09 0.18 0.28 -0.94 -1.89 0.00 0.00 176.35 174.07 1k0s s SER 15 N -0.60 -0.11 0.06 3.68 1.04 0.49 -1.50 113.70 116.76 1k0s s SER 15 Ca 0.30 -0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.48 1k0s s SER 15 Cb -0.19 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1k0s s SER 15 CO 0.18 -0.56 0.21 0.72 0.98 0.00 0.00 173.24 174.77 1k0s s PHE 16 N -2.24 0.06 -0.65 5.02 -0.71 0.34 0.12 117.98 119.91 1k0s s PHE 16 Ca -0.07 -0.34 -0.22 0.00 -1.04 0.00 0.00 56.93 55.26 1k0s s PHE 16 Cb -0.02 -0.02 0.07 0.00 -1.21 0.00 0.00 43.02 41.84 1k0s s PHE 16 CO -0.02 -0.47 0.94 -2.00 -1.34 0.00 0.00 175.22 172.33 1k0s s GLU 17 N -2.97 3.11 -0.62 1.99 2.12 0.72 -0.15 118.70 122.89 1k0s s GLU 17 Ca -0.02 -0.89 -0.22 0.00 0.36 0.00 0.00 54.97 54.20 1k0s s GLU 17 Cb 0.01 -4.24 0.07 0.00 0.26 0.00 0.00 34.13 30.23 1k0s s GLU 17 CO -0.06 -1.79 0.91 0.42 -0.54 0.00 0.00 175.26 174.20 1k0s s ILE 18 N 3.92 4.42 -1.16 -3.70 -1.09 0.22 -4.23 121.20 119.57 1k0s s ILE 18 Ca 0.21 -0.33 -0.26 0.00 -2.23 0.00 0.00 60.65 58.04 1k0s s ILE 18 Cb -0.18 -4.61 0.01 0.00 -1.58 0.00 0.00 42.46 36.10 1k0s s ILE 18 CO 0.10 -1.32 0.75 0.47 -1.23 0.00 0.00 174.94 173.71 1k0s n ASP 19 N 7.42 -4.90 0.00 3.58 9.92 -1.26 -1.49 116.55 129.83 1k0s n ASP 19 Ca -0.04 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1k0s n ASP 19 Cb 0.45 -2.71 0.00 0.00 -0.64 0.00 0.00 41.12 38.23 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 -4.50 0.00 -1.56 -1.24 1.02 -1.26 -4.86 120.64 108.24 1k0s n GLU 20 Ca -0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.90 1k0s n GLU 20 Cb 0.58 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.08 1k0s n GLU 20 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k0s n GLN 21 N 0.00 -0.08 -4.34 3.49 10.64 -0.55 -5.03 117.38 121.51 1k0s n GLN 21 Ca 0.00 -1.46 -0.24 0.00 -1.83 0.00 0.00 57.00 53.47 1k0s n GLN 21 Cb 0.00 -0.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.79 1k0s n GLN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k0s s ALA 22 N -3.29 2.97 -0.08 2.61 0.00 -1.08 0.69 121.76 123.58 1k0s s ALA 22 Ca 0.40 -1.66 -0.05 0.00 0.00 0.00 0.00 51.96 50.65 1k0s s ALA 22 Cb -0.02 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1k0s s ALA 22 CO 0.27 0.33 0.20 -1.17 0.00 0.00 0.00 175.76 175.40 1k0s s LEU 23 N -3.34 0.77 0.03 0.00 2.96 0.78 -1.19 118.68 118.69 1k0s s LEU 23 Ca 0.29 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1k0s s LEU 23 Cb -0.07 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.22 1k0s s LEU 23 CO 0.17 -0.13 -0.06 0.00 -1.32 0.00 0.00 176.35 175.01 1k0s s ALA 24 N 0.86 0.45 -0.02 5.97 0.00 0.22 -0.50 121.76 128.73 1k0s s ALA 24 Ca -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1k0s s ALA 24 Cb -0.08 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 1k0s s ALA 24 CO -0.05 -0.05 -0.10 -0.06 0.00 0.00 0.00 175.76 175.50 1k0s s PHE 25 N -1.33 0.93 -0.16 0.00 0.40 -0.56 -2.04 117.98 115.22 1k0s s PHE 25 Ca -0.11 -0.20 -0.39 0.00 -0.60 0.00 0.00 56.93 55.63 1k0s s PHE 25 Cb -0.10 -0.63 -0.15 0.00 0.51 0.00 0.00 43.02 42.65 1k0s s PHE 25 CO 0.00 -0.05 1.66 -0.40 0.70 0.00 0.00 175.22 177.13 1k0s n ASP 26 N 3.04 2.35 0.14 1.36 5.75 -0.93 -2.11 116.55 126.15 1k0s n ASP 26 Ca -0.16 1.07 0.10 0.00 -0.01 0.00 0.00 54.79 55.80 1k0s n ASP 26 Cb 0.55 -1.18 0.52 0.00 -1.03 0.00 0.00 41.12 39.98 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1k0s n VAL 27 N 4.14 1.12 -0.34 2.12 0.24 -1.26 -1.64 118.33 122.71 1k0s n VAL 27 Ca 0.24 0.66 -0.03 0.00 -2.04 0.00 0.00 64.34 63.17 1k0s n VAL 27 Cb 0.16 -1.65 0.11 0.00 -1.47 0.00 0.00 33.84 30.99 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 1.12 0.03 -1.34 3.32 -1.91 -3.26 116.42 114.38 1k0s h ASP 28 Ca 0.00 -0.08 -0.37 0.00 0.02 0.00 0.00 57.03 56.60 1k0s h ASP 28 Cb 0.04 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 1k0s h ASP 28 CO 0.00 0.87 -2.13 -3.20 -1.72 0.00 0.00 179.24 173.07 1k0s n ASN 29 N -4.35 1.99 -4.69 6.45 2.85 -0.65 -4.93 115.26 111.93 1k0s n ASN 29 Ca 0.10 0.19 -0.44 0.00 -0.11 0.00 0.00 54.58 54.32 1k0s n ASN 29 Cb 0.07 -0.75 -0.04 0.00 1.24 0.00 0.00 39.78 40.31 1k0s n ASN 29 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1k0s n ILE 30 N -3.82 0.03 -0.06 -1.44 2.08 -0.82 -2.34 119.36 113.00 1k0s n ILE 30 Ca -0.42 -0.01 -0.03 0.00 0.56 0.00 0.00 62.75 62.85 1k0s n ILE 30 Cb 0.91 -1.75 -0.01 0.00 -0.75 0.00 0.00 39.64 38.04 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 6.46 0.00 -1.98 0.38 5.08 -1.43 -3.45 114.58 119.64 1k0s h GLU 31 Ca -0.44 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.05 1k0s h GLU 31 Cb 1.23 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 1k0s h GLU 31 CO 0.92 0.00 0.56 -1.64 -1.00 0.00 0.00 179.01 177.85 1k0s s MET 32 N -1.94 0.68 0.29 2.33 -1.94 -1.21 -5.02 119.30 112.49 1k0s s MET 32 Ca -0.10 -0.18 -0.11 0.00 -1.71 0.00 0.00 55.69 53.60 1k0s s MET 32 Cb 0.01 0.31 -0.07 0.00 2.01 0.00 0.00 34.83 37.09 1k0s s MET 32 CO 0.15 -0.28 0.63 0.14 -0.01 0.00 0.00 175.02 175.65 1k0s s VAL 33 N -2.58 4.85 -0.20 -6.03 -7.23 -1.26 -0.58 120.40 107.37 1k0s s VAL 33 Ca 0.04 0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 60.66 1k0s s VAL 33 Cb -0.01 -3.64 0.06 0.00 0.56 0.00 0.00 36.38 33.35 1k0s s VAL 33 CO -0.06 -0.19 0.50 0.27 -0.31 0.00 0.00 175.10 175.31 1k0s s ILE 34 N -1.97 -0.01 -0.37 -0.62 -4.36 0.16 -4.91 121.20 109.12 1k0s s ILE 34 Ca 0.50 0.04 -0.13 0.00 -0.26 0.00 0.00 60.65 60.80 1k0s s ILE 34 Cb -0.11 -0.72 0.01 0.00 1.25 0.00 0.00 42.46 42.89 1k0s s ILE 34 CO 0.22 0.02 0.24 -1.83 0.24 0.00 0.00 174.94 173.83 1k0s s GLU 35 N 0.96 3.07 -0.40 0.37 -1.05 -1.26 0.19 118.70 120.59 1k0s s GLU 35 Ca -0.06 -0.93 0.03 0.00 -0.15 0.00 0.00 54.97 53.86 1k0s s GLU 35 Cb -0.06 -3.82 0.28 0.00 -0.44 0.00 0.00 34.13 30.10 1k0s s GLU 35 CO -0.08 -0.63 1.14 1.17 0.95 0.00 0.00 175.26 177.81 1k0s n LYS 36 N 5.08 0.46 0.00 -4.83 0.00 -1.26 -4.96 118.16 112.65 1k0s n LYS 36 Ca -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 58.31 56.99 1k0s n LYS 36 Cb 0.47 -0.72 0.00 0.00 0.00 0.00 0.00 35.03 34.79 1k0s n LYS 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1k0s n SER 37 N 1.21 -1.31 -4.26 3.14 3.41 -1.26 -4.02 113.62 110.52 1k0s n SER 37 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.31 1k0s n SER 37 Cb 0.69 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 1k0s n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1k0s n ASP 38 N -1.97 -0.01 -4.75 4.04 5.75 -1.26 -4.87 116.55 113.48 1k0s n ASP 38 Ca 0.00 -1.19 -0.40 0.00 -0.01 0.00 0.00 54.79 53.19 1k0s n ASP 38 Cb 0.00 -1.49 -0.05 0.00 -1.03 0.00 0.00 41.12 38.55 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1k0s s ILE 39 N -3.89 3.93 0.00 2.12 1.01 -1.26 -4.55 121.20 118.57 1k0s s ILE 39 Ca 0.27 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1k0s s ILE 39 Cb -0.16 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1k0s s ILE 39 CO 0.95 0.39 0.00 0.41 0.00 0.00 0.00 174.94 176.69 1k0s n THR 40 N 1.77 -1.34 -0.08 2.92 -1.04 -1.25 -3.63 114.28 111.63 1k0s n THR 40 Ca -0.00 0.31 -0.08 0.00 -2.04 0.00 0.00 64.05 62.24 1k0s n THR 40 Cb 0.47 -2.13 -0.04 0.00 -1.82 0.00 0.00 70.33 66.81 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 3.10 0.00 0.05 -2.82 0.13 -1.85 -3.40 132.00 127.21 1k0s h PRO 41 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1k0s h PRO 41 Cb 0.61 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1k0s h PRO 41 CO 0.00 0.21 -1.20 -0.24 -0.23 0.00 0.00 178.00 176.54 1k0s h VAL 42 N -1.00 1.51 0.00 1.56 3.04 -1.98 -3.31 116.25 116.07 1k0s h VAL 42 Ca -0.07 -3.19 0.00 0.00 -1.01 0.00 0.00 66.70 62.43 1k0s h VAL 42 Cb 0.63 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.74 1k0s h VAL 42 CO -0.04 0.89 0.00 -2.65 -1.01 0.00 0.00 177.57 174.76 1k0s n PRO 43 N -3.38 0.40 -1.52 4.17 -0.02 -1.26 -4.86 135.00 128.53 1k0s n PRO 43 Ca -0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 1k0s n PRO 43 Cb 0.99 -1.24 0.04 0.00 -0.02 0.00 0.00 33.50 33.26 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 -0.74 0.71 0.00 -0.52 -0.00 -1.25 -4.94 118.16 111.42 1k0s n LYS 44 Ca 0.05 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1k0s n LYS 44 Cb 0.02 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.20 1k0s n LYS 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1k0s n SER 45 N 0.21 0.00 0.00 -5.58 2.88 -1.26 -5.03 113.62 104.84 1k0s n SER 45 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1k0s n SER 45 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -0.52 -1.46 3.00 -1.26 -5.16 116.66 111.26 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 -0.33 -1.43 0.00 -0.14 8.25 -1.26 -4.01 115.22 116.30 1k0s n HIS 47 Ca 0.00 0.77 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 1k0s n HIS 47 Cb 0.00 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 29.49 1k0s n HIS 47 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1k0s n PHE 48 N -1.59 0.00 -2.34 4.41 7.35 -1.26 -4.82 117.46 119.22 1k0s n PHE 48 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1k0s n PHE 48 Cb 0.11 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.91 1k0s n PHE 48 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1k0s s VAL 49 N -0.06 3.85 0.12 -2.13 1.01 -1.26 -4.28 120.40 117.65 1k0s s VAL 49 Ca 0.00 1.30 -0.08 0.00 0.00 0.00 0.00 61.98 63.20 1k0s s VAL 49 Cb 0.00 -3.83 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 1k0s s VAL 49 CO 0.00 0.07 1.29 1.05 0.00 0.00 0.00 175.10 177.52 1k0s h GLU 50 N 7.06 0.59 0.00 2.72 4.11 -1.57 -3.49 114.58 124.00 1k0s h GLU 50 Ca -0.40 -0.56 0.09 0.00 0.07 0.00 0.00 59.36 58.55 1k0s h GLU 50 Cb 1.20 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1k0s h GLU 50 CO 0.85 1.18 0.34 0.41 0.07 0.00 0.00 179.01 181.86 1k0s n GLY 51 N 0.86 0.92 3.67 1.06 0.00 -0.95 -4.65 105.19 106.09 1k0s n GLY 51 Ca -0.08 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1k0s n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k0s s VAL 52 N -2.28 0.00 -0.13 1.61 -7.23 -1.26 0.33 120.40 111.43 1k0s s VAL 52 Ca 0.13 -1.29 -0.25 0.00 -1.81 0.00 0.00 61.98 58.77 1k0s s VAL 52 Cb -0.02 -2.16 0.06 0.00 0.56 0.00 0.00 36.38 34.83 1k0s s VAL 52 CO 0.04 0.00 0.61 0.27 -0.31 0.00 0.00 175.10 175.70 1k0s s ILE 53 N -3.97 0.01 0.12 -0.62 -4.36 -0.72 -3.87 121.20 107.79 1k0s s ILE 53 Ca 0.19 -0.06 -0.18 0.00 -0.26 0.00 0.00 60.65 60.34 1k0s s ILE 53 Cb -0.02 -0.89 -0.07 0.00 1.25 0.00 0.00 42.46 42.73 1k0s s ILE 53 CO 0.09 -0.03 0.60 0.21 0.24 0.00 0.00 174.94 176.04 1k0s s ASN 54 N -0.48 7.01 -0.28 4.36 3.84 -1.26 -0.19 114.94 127.94 1k0s s ASN 54 Ca -0.06 1.26 -0.24 0.00 0.21 0.00 0.00 52.86 54.03 1k0s s ASN 54 Cb -0.03 -2.36 0.13 0.00 -0.55 0.00 0.00 41.25 38.44 1k0s s ASN 54 CO 0.05 0.18 1.03 -0.22 -2.79 0.00 0.00 177.10 175.35 1k0s s LEU 55 N -1.49 -0.45 -1.59 3.21 2.96 -0.28 -4.95 118.68 116.09 1k0s s LEU 55 Ca 0.34 0.85 -0.09 0.00 -0.22 0.00 0.00 54.13 55.02 1k0s s LEU 55 Cb -0.18 1.85 0.08 0.00 0.50 0.00 0.00 46.19 48.44 1k0s s LEU 55 CO 0.20 -0.15 0.45 -2.11 -1.32 0.00 0.00 176.35 173.42 1k0s n ARG 56 N 2.40 -2.37 -3.50 1.98 1.85 -1.26 -0.66 116.66 115.10 1k0s n ARG 56 Ca -0.13 0.29 -0.22 0.00 -1.00 0.00 0.00 57.85 56.79 1k0s n ARG 56 Cb 0.56 -4.50 0.07 0.00 -1.05 0.00 0.00 32.46 27.55 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1k0s n GLY 57 N -1.84 -0.43 3.64 2.89 0.00 -1.26 -5.00 105.19 103.20 1k0s n GLY 57 Ca -0.14 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1k0s n GLY 57 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1k0s s ARG 58 N -6.14 0.39 -0.03 1.61 1.70 0.16 -5.15 118.95 111.49 1k0s s ARG 58 Ca 0.50 0.67 -0.20 0.00 -0.47 0.00 0.00 55.73 56.22 1k0s s ARG 58 Cb -0.22 0.08 -0.05 0.00 -0.57 0.00 0.00 34.95 34.19 1k0s s ARG 58 CO 0.68 -0.08 0.59 0.42 -1.08 0.00 0.00 175.30 175.82 1k0s s ILE 59 N 1.34 4.97 -0.13 4.99 1.09 -1.26 -1.12 121.20 131.08 1k0s s ILE 59 Ca -0.09 1.23 -0.05 0.00 -1.10 0.00 0.00 60.65 60.64 1k0s s ILE 59 Cb -0.04 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 1k0s s ILE 59 CO -0.15 0.38 0.04 0.27 -0.10 0.00 0.00 174.94 175.38 1k0s s ILE 60 N 0.07 4.64 -0.36 2.92 -5.25 0.74 -4.88 121.20 119.08 1k0s s ILE 60 Ca 0.31 -0.11 -0.20 0.00 -0.99 0.00 0.00 60.65 59.67 1k0s s ILE 60 Cb -0.18 -3.02 0.00 0.00 2.95 0.00 0.00 42.46 42.22 1k0s s ILE 60 CO 0.16 0.55 0.59 -2.16 -1.79 0.00 0.00 174.94 172.29 1k0s s PRO 61 N -0.38 3.62 -0.02 0.37 0.04 -1.23 -1.75 135.00 135.64 1k0s s PRO 61 Ca 0.09 -0.07 -0.18 0.00 0.04 0.00 0.00 61.00 60.87 1k0s s PRO 61 Cb -0.12 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.54 1k0s s PRO 61 CO 0.02 -0.73 0.50 0.14 0.04 0.00 0.00 177.00 176.97 1k0s s VAL 62 N 2.60 4.99 0.06 -0.36 -7.23 0.15 -1.38 120.40 119.22 1k0s s VAL 62 Ca 0.22 1.04 -0.00 0.00 -1.81 0.00 0.00 61.98 61.43 1k0s s VAL 62 Cb -0.15 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 1k0s s VAL 62 CO 0.15 0.47 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.67 1k0s s VAL 63 N -0.40 0.31 -1.12 1.32 1.01 -0.87 -1.39 120.40 119.27 1k0s s VAL 63 Ca 0.27 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 1k0s s VAL 63 Cb -0.17 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 1k0s s VAL 63 CO 0.15 -0.92 2.29 0.59 0.00 0.00 0.00 175.10 177.20 1k0s n ASN 64 N 0.22 5.26 -0.12 3.32 4.13 -1.26 -2.13 115.26 124.69 1k0s n ASN 64 Ca -0.15 -2.50 0.19 0.00 1.68 0.00 0.00 54.58 53.80 1k0s n ASN 64 Cb 0.60 -1.27 0.60 0.00 -1.54 0.00 0.00 39.78 38.18 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 9.22 0.20 -2.22 3.41 6.46 -1.83 0.60 115.31 131.14 1k0s h LEU 65 Ca 0.58 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.34 1k0s h LEU 65 Cb 0.34 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1k0s h LEU 65 CO 1.67 0.10 -0.06 0.00 -0.62 0.00 0.00 178.44 179.53 1k0s h ALA 66 N 1.66 1.31 0.10 1.25 0.00 -1.82 0.90 119.26 122.66 1k0s h ALA 66 Ca 0.35 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1k0s h ALA 66 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1k0s h ALA 66 CO -0.07 0.07 -0.97 -0.22 0.00 0.00 0.00 179.25 178.07 1k0s h LYS 67 N 0.00 0.21 -0.91 0.00 3.11 -0.00 1.13 116.57 120.12 1k0s h LYS 67 Ca -0.00 -0.37 0.06 0.00 -2.81 0.00 0.00 60.65 57.53 1k0s h LYS 67 Cb 0.19 0.14 -0.06 0.00 -1.00 0.00 0.00 32.23 31.50 1k0s h LYS 67 CO 0.01 1.17 0.59 0.97 -2.81 0.00 0.00 179.45 179.38 1k0s h ILE 68 N -0.48 1.09 0.04 2.00 2.10 -0.93 -1.30 117.51 120.03 1k0s h ILE 68 Ca -0.20 -0.36 -0.09 0.00 1.08 0.00 0.00 64.86 65.29 1k0s h ILE 68 Cb 1.57 -0.06 0.01 0.00 -1.09 0.00 0.00 36.82 37.25 1k0s h ILE 68 CO 0.07 0.19 -0.37 0.25 -1.08 0.00 0.00 178.15 177.21 1k0s h LEU 69 N 1.05 0.25 0.00 2.19 7.12 -0.92 -3.50 115.31 121.51 1k0s h LEU 69 Ca 0.38 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.50 1k0s h LEU 69 Cb 0.16 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.21 1k0s h LEU 69 CO -0.14 1.12 0.00 0.61 -0.13 0.00 0.00 178.44 179.90 1k0s n GLY 70 N 1.39 1.85 0.88 3.75 0.00 0.39 -5.04 105.19 108.41 1k0s n GLY 70 Ca -0.11 -0.77 0.07 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 -0.16 -0.35 -0.61 -5.35 -1.25 -4.03 119.36 107.62 1k0s n ILE 71 Ca 0.00 0.27 0.24 0.00 -0.27 0.00 0.00 62.75 62.99 1k0s n ILE 71 Cb 0.00 -0.46 0.50 0.00 -1.74 0.00 0.00 39.64 37.94 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 -1.17 0.48 -0.47 7.28 0.02 -1.91 -3.43 113.55 114.35 1k0s h SER 72 Ca -0.05 0.12 -0.27 0.00 -0.84 0.00 0.00 61.79 60.75 1k0s h SER 72 Cb 0.90 0.06 0.05 0.00 0.14 0.00 0.00 62.40 63.55 1k0s h SER 72 CO 0.02 0.01 -0.25 0.33 -1.14 0.00 0.00 176.83 175.80 1k0s n PHE 73 N -4.77 -0.34 -2.38 3.45 7.35 -1.26 -4.92 117.46 114.59 1k0s n PHE 73 Ca 0.29 0.36 -0.02 0.00 -0.76 0.00 0.00 57.45 57.31 1k0s n PHE 73 Cb 0.95 -0.78 0.05 0.00 0.35 0.00 0.00 39.48 40.05 1k0s n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1k0s n ASP 74 N 0.84 -0.88 -2.79 -2.13 2.03 -1.26 -4.94 116.55 107.43 1k0s n ASP 74 Ca 0.07 -1.66 -0.20 0.00 0.52 0.00 0.00 54.79 53.52 1k0s n ASP 74 Cb 0.11 0.38 0.01 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.72 -3.17 -0.09 -0.67 -0.58 -1.26 -4.88 120.64 109.27 1k0s n GLU 75 Ca -0.14 0.78 -0.23 0.00 -0.42 0.00 0.00 57.16 57.16 1k0s n GLU 75 Cb 0.69 -5.50 -0.12 0.00 -0.57 0.00 0.00 31.44 25.94 1k0s n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k0s n GLN 76 N -3.42 0.65 -0.22 3.49 10.64 -1.26 -4.55 117.38 122.71 1k0s n GLN 76 Ca -0.14 0.29 0.06 0.00 -1.83 0.00 0.00 57.00 55.38 1k0s n GLN 76 Cb 0.62 -1.61 0.16 0.00 -0.86 0.00 0.00 30.24 28.55 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 -3.79 2.76 -1.77 2.61 4.76 -1.26 -5.04 118.16 116.42 1k0s n LYS 77 Ca -0.42 -2.25 -0.41 0.00 -2.87 0.00 0.00 58.31 52.36 1k0s n LYS 77 Cb 0.92 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.69 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1k0s n MET 78 N -0.14 2.58 -1.44 1.97 2.81 -1.26 -4.28 117.12 117.37 1k0s n MET 78 Ca 0.13 0.91 -0.00 0.00 -1.81 0.00 0.00 57.70 56.93 1k0s n MET 78 Cb 0.56 -2.66 0.00 0.00 -0.71 0.00 0.00 33.22 30.41 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 0.29 0.02 -3.62 0.03 2.85 0.11 -4.87 118.16 112.98 1k0s n LYS 79 Ca 0.02 -0.02 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 1k0s n LYS 79 Cb 0.39 0.05 -0.02 0.00 -0.65 0.00 0.00 35.03 34.81 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1k0s s SER 80 N -0.02 -0.23 0.03 -5.58 0.15 0.17 -4.79 113.70 103.43 1k0s s SER 80 Ca 0.00 -0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.49 1k0s s SER 80 Cb 0.01 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1k0s s SER 80 CO -0.00 -0.62 -0.03 -0.63 1.20 0.00 0.00 173.24 173.15 1k0s s ILE 81 N -2.99 0.15 -0.05 6.45 1.01 0.13 0.31 121.20 126.21 1k0s s ILE 81 Ca 0.09 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1k0s s ILE 81 Cb -0.00 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1k0s s ILE 81 CO -0.04 -0.61 -0.09 -0.63 0.00 0.00 0.00 174.94 173.58 1k0s s ILE 82 N -2.01 0.86 0.22 2.92 1.01 0.22 0.40 121.20 124.81 1k0s s ILE 82 Ca -0.11 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1k0s s ILE 82 Cb -0.06 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1k0s s ILE 82 CO -0.03 0.29 0.37 -0.69 0.00 0.00 0.00 174.94 174.89 1k0s s VAL 83 N 0.72 5.24 0.29 2.92 1.01 0.26 -0.08 120.40 130.76 1k0s s VAL 83 Ca -0.13 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1k0s s VAL 83 Cb -0.15 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1k0s s VAL 83 CO 0.02 -0.24 0.64 0.00 0.00 0.00 0.00 175.10 175.52 1k0s s ALA 84 N -1.92 -0.68 -0.05 5.51 0.00 0.26 -1.18 121.76 123.69 1k0s s ALA 84 Ca 0.36 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.69 1k0s s ALA 84 Cb -0.10 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1k0s s ALA 84 CO 0.30 -0.95 -0.10 -0.98 0.00 0.00 0.00 175.76 174.02 1k0s s ARG 85 N -3.62 1.38 -0.21 0.00 1.70 -0.99 0.40 118.95 117.62 1k0s s ARG 85 Ca 0.17 -0.32 -0.04 0.00 -0.47 0.00 0.00 55.73 55.07 1k0s s ARG 85 Cb -0.04 -1.20 0.10 0.00 -0.57 0.00 0.00 34.95 33.24 1k0s s ARG 85 CO 0.09 0.01 0.23 0.95 -1.08 0.00 0.00 175.30 175.51 1k0s s THR 86 N 0.66 -0.33 -1.41 4.99 -4.23 0.35 -4.82 115.64 110.85 1k0s s THR 86 Ca -0.12 -0.15 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1k0s s THR 86 Cb -0.15 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 72.99 1k0s s THR 86 CO 0.02 -0.23 0.41 1.17 -0.54 0.00 0.00 174.62 175.45 1k0s n LYS 87 N 5.32 -3.23 -2.35 3.99 4.81 -1.26 -0.30 118.16 125.13 1k0s n LYS 87 Ca -0.05 0.40 -0.10 0.00 -0.87 0.00 0.00 58.31 57.69 1k0s n LYS 87 Cb 0.49 -4.51 0.00 0.00 0.02 0.00 0.00 35.03 31.04 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1k0s n ASP 88 N -2.98 -3.39 -3.86 3.14 8.00 -1.26 -5.02 116.55 111.18 1k0s n ASP 88 Ca -0.31 -0.06 -0.29 0.00 0.71 0.00 0.00 54.79 54.84 1k0s n ASP 88 Cb 0.69 -2.51 -0.16 0.00 -0.02 0.00 0.00 41.12 39.11 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 -2.62 1.16 -0.73 2.53 1.01 0.58 -5.06 120.40 117.27 1k0s s VAL 89 Ca 0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1k0s s VAL 89 Cb -0.02 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.91 1k0s s VAL 89 CO 0.07 -0.17 1.01 -1.61 0.00 0.00 0.00 175.10 174.40 1k0s s GLU 90 N 1.56 3.24 0.34 2.72 8.01 -1.25 0.13 118.70 133.45 1k0s s GLU 90 Ca -0.03 -1.07 -0.09 0.00 0.01 0.00 0.00 54.97 53.78 1k0s s GLU 90 Cb -0.18 -4.43 -0.06 0.00 -4.31 0.00 0.00 34.13 25.15 1k0s s GLU 90 CO -0.07 -1.81 0.67 0.08 0.01 0.00 0.00 175.26 174.14 1k0s s VAL 91 N 3.74 4.86 0.21 2.63 1.01 0.16 -3.52 120.40 129.49 1k0s s VAL 91 Ca 0.25 0.47 0.09 0.00 0.00 0.00 0.00 61.98 62.79 1k0s s VAL 91 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1k0s s VAL 91 CO 0.05 -0.36 -0.18 -0.83 0.00 0.00 0.00 175.10 173.78 1k0s s GLY 92 N -2.95 1.55 -0.11 4.51 0.00 -0.48 0.92 107.32 110.76 1k0s s GLY 92 Ca 0.49 -1.66 -0.05 0.00 0.00 0.00 0.00 44.72 43.50 1k0s s GLY 92 CO 0.28 -1.73 0.26 -0.12 0.00 0.00 0.00 173.10 171.79 1k0s s PHE 93 N -2.47 -0.37 -0.12 1.90 5.36 0.88 -2.04 117.98 121.13 1k0s s PHE 93 Ca 0.22 0.86 -0.21 0.00 -0.96 0.00 0.00 56.93 56.83 1k0s s PHE 93 Cb -0.04 0.05 -0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1k0s s PHE 93 CO 0.09 -0.26 0.62 -1.17 -1.46 0.00 0.00 175.22 173.04 1k0s s LEU 94 N 1.49 4.26 0.00 6.12 2.96 -0.90 0.69 118.68 133.30 1k0s s LEU 94 Ca -0.07 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1k0s s LEU 94 Cb -0.11 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 1k0s s LEU 94 CO -0.09 -0.13 0.13 1.33 -1.32 0.00 0.00 176.35 176.27 1k0s n VAL 95 N 4.01 0.00 0.00 1.68 0.24 0.15 -4.51 118.33 119.90 1k0s n VAL 95 Ca -0.03 -1.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 1k0s n VAL 95 Cb 0.51 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 -2.14 0.00 -3.73 -1.34 2.03 -1.26 0.44 116.55 110.55 1k0s n ASP 96 Ca 0.02 0.12 -0.21 0.00 0.52 0.00 0.00 54.79 55.23 1k0s n ASP 96 Cb 0.32 -0.33 -0.18 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 -0.67 0.29 -0.31 -0.67 3.52 -1.26 -3.43 118.95 116.42 1k0s s ARG 97 Ca 0.00 0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.71 1k0s s ARG 97 Cb 0.00 -0.73 -0.02 0.00 -1.56 0.00 0.00 34.95 32.63 1k0s s ARG 97 CO 0.00 -0.30 0.19 0.54 -0.81 0.00 0.00 175.30 174.92 1k0s s VAL 98 N 1.98 5.02 0.41 7.11 0.11 -1.26 -0.20 120.40 133.57 1k0s s VAL 98 Ca 0.04 -0.16 0.17 0.00 -2.93 0.00 0.00 61.98 59.09 1k0s s VAL 98 Cb -0.12 -3.50 0.17 0.00 -1.53 0.00 0.00 36.38 31.40 1k0s s VAL 98 CO -0.04 0.11 1.94 -0.07 -3.33 0.00 0.00 175.10 173.72 1k0s h LEU 99 N 8.40 0.00 0.00 2.54 -0.00 0.52 -3.47 115.31 123.30 1k0s h LEU 99 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1k0s h LEU 99 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1k0s h LEU 99 CO 0.60 0.24 0.00 0.61 -0.00 0.00 0.00 178.44 179.89 1k0s n GLY 100 N -0.72 1.34 3.66 0.83 0.00 -0.27 -4.91 105.19 105.12 1k0s n GLY 100 Ca -0.02 -0.85 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 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 0.72 -4.12 1.61 0.31 -1.25 -0.38 118.33 115.21 1k0s n VAL 101 Ca 0.00 -0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 63.99 1k0s n VAL 101 Cb 0.00 -1.40 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 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 0.32 1.84 -1.28 7.52 2.96 0.37 -4.77 118.68 125.64 1k0s s LEU 102 Ca 0.71 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.43 1k0s s LEU 102 Cb -0.69 -0.27 0.16 0.00 0.50 0.00 0.00 46.19 45.89 1k0s s LEU 102 CO 0.47 0.03 1.83 -2.11 -1.32 0.00 0.00 176.35 175.25 1k0s n ARG 103 N 3.21 3.54 -3.15 1.98 1.85 -1.26 -0.88 116.66 121.95 1k0s n ARG 103 Ca -0.16 -3.53 -0.39 0.00 -1.00 0.00 0.00 57.85 52.77 1k0s n ARG 103 Cb 0.57 -2.97 -0.05 0.00 -1.05 0.00 0.00 32.46 28.95 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k0s s ILE 104 N 0.75 5.09 0.22 8.89 -1.09 0.18 -4.79 121.20 130.44 1k0s s ILE 104 Ca 0.41 1.23 -0.14 0.00 -2.23 0.00 0.00 60.65 59.92 1k0s s ILE 104 Cb 0.08 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1k0s s ILE 104 CO 0.00 0.24 0.62 0.42 -1.23 0.00 0.00 174.94 174.99 1k0s s THR 105 N 1.01 4.79 -0.45 2.92 -4.23 -1.26 0.80 115.64 119.22 1k0s s THR 105 Ca 0.32 0.82 0.04 0.00 -1.18 0.00 0.00 61.69 61.69 1k0s s THR 105 Cb -0.16 -3.69 0.18 0.00 1.34 0.00 0.00 72.50 70.16 1k0s s THR 105 CO 0.14 0.04 0.38 1.21 -0.54 0.00 0.00 174.62 175.85 1k0s n GLU 106 N 0.23 0.48 0.02 3.99 2.13 -1.13 -4.86 120.64 121.49 1k0s n GLU 106 Ca -0.01 -3.37 0.09 0.00 0.66 0.00 0.00 57.16 54.53 1k0s n GLU 106 Cb 0.52 -1.72 0.41 0.00 0.27 0.00 0.00 31.44 30.92 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 2.58 0.09 -0.03 4.31 5.03 -1.26 -3.16 115.26 122.82 1k0s n ASN 107 Ca 0.28 0.52 -0.11 0.00 0.87 0.00 0.00 54.58 56.14 1k0s n ASN 107 Cb 0.47 -0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 38.63 1k0s n ASN 107 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1k0s h GLN 108 N 0.00 0.20 -7.21 3.52 1.08 -1.92 -3.44 115.11 107.34 1k0s h GLN 108 Ca 0.00 -0.03 -0.47 0.00 -1.45 0.00 0.00 58.65 56.69 1k0s h GLN 108 Cb 0.34 -0.03 0.20 0.00 -0.05 0.00 0.00 27.48 27.94 1k0s h GLN 108 CO 0.00 0.29 0.11 -0.48 -0.95 0.00 0.00 178.83 177.80 1k0s s LEU 109 N -9.86 1.69 0.00 1.46 0.05 -1.19 -3.93 118.68 106.90 1k0s s LEU 109 Ca -0.14 1.77 0.00 0.00 0.05 0.00 0.00 54.13 55.81 1k0s s LEU 109 Cb 0.06 -3.89 0.00 0.00 -2.05 0.00 0.00 46.19 40.31 1k0s s LEU 109 CO 0.69 -3.68 0.00 -0.67 -0.55 0.00 0.00 176.35 172.14 1k0s n ASP 110 N -4.59 0.00 0.00 1.48 -0.08 -1.26 -4.87 116.55 107.23 1k0s n ASP 110 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1k0s n ASP 110 Cb 0.53 0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1k0s n ASP 110 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1k0s n LEU 111 N -1.67 0.63 0.00 -2.67 7.94 -1.26 -4.96 117.00 115.01 1k0s n LEU 111 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1k0s n LEU 111 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1k0s n LEU 111 CO 0.00 0.11 0.00 1.07 -1.11 0.00 0.00 177.39 177.46 1k0s n THR 112 N -1.82 0.00 -1.99 1.96 5.66 -1.26 -5.11 114.28 111.71 1k0s n THR 112 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1k0s n THR 112 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 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 -8.71 -3.22 1.09 4.13 -1.26 -5.05 115.26 102.24 1k0s n ASN 113 Ca 0.00 1.32 -0.02 0.00 1.68 0.00 0.00 54.58 57.56 1k0s n ASN 113 Cb 0.00 -4.90 -0.03 0.00 -1.54 0.00 0.00 39.78 33.31 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 -0.84 0.00 2.41 1.01 -1.25 -4.98 120.40 116.17 1k0s s VAL 114 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1k0s s VAL 114 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1k0s s VAL 114 CO 0.00 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.73 1k0s n SER 115 N 5.11 0.00 0.00 3.32 2.88 -1.26 -4.87 113.62 118.80 1k0s n SER 115 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1k0s n SER 115 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1k0s n SER 115 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k0s n ASP 116 N 0.00 0.00 0.00 -3.46 2.03 -1.26 -4.42 116.55 109.45 1k0s n ASP 116 Ca 0.00 0.71 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1k0s n ASP 116 Cb 0.00 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1k0s n ASP 116 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1k0s n LYS 117 N -1.99 0.00 0.20 -0.67 4.76 -1.26 -3.05 118.16 116.16 1k0s n LYS 117 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 1k0s n LYS 117 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1k0s n LYS 117 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1k0s h PHE 118 N 0.00 -0.52 0.00 2.13 3.57 -1.84 -3.37 116.94 116.91 1k0s h PHE 118 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1k0s h PHE 118 Cb 0.00 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1k0s h PHE 118 CO 0.00 -0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.26 1k0s n GLY 119 N 0.07 2.04 0.00 2.40 0.00 -1.26 -4.91 105.19 103.53 1k0s n GLY 119 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.71 1.64 3.00 -1.26 -5.14 118.16 115.69 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 -0.14 0.00 0.00 0.00 0.00 0.00 35.03 34.89 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 -1.44 0.00 -0.02 3.14 3.41 -1.26 -3.11 113.62 114.34 1k0s n SER 122 Ca 0.00 -0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.12 1k0s n SER 122 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1k0s n SER 122 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k0s h LYS 123 N 0.00 0.03 0.00 4.33 1.79 -1.84 -3.45 116.57 117.43 1k0s h LYS 123 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1k0s h LYS 123 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1k0s h LYS 123 CO 0.00 0.55 0.00 0.41 -1.08 0.00 0.00 179.45 179.33 1k0s n GLY 124 N 0.34 2.15 3.68 3.86 0.00 -0.76 -4.05 105.19 110.41 1k0s n GLY 124 Ca -0.08 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1k0s n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k0s s LEU 125 N 0.00 4.28 0.18 0.99 1.98 -1.26 -1.65 118.68 123.20 1k0s s LEU 125 Ca 0.00 1.91 -0.00 0.00 -2.89 0.00 0.00 54.13 53.15 1k0s s LEU 125 Cb 0.00 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.25 1k0s s LEU 125 CO 0.00 -0.66 0.36 0.54 -1.89 0.00 0.00 176.35 174.70 1k0s s VAL 126 N 2.49 5.24 -0.26 1.68 0.11 0.21 -4.81 120.40 125.06 1k0s s VAL 126 Ca 0.59 -0.42 -0.22 0.00 -2.93 0.00 0.00 61.98 58.99 1k0s s VAL 126 Cb -0.27 -3.72 0.07 0.00 -1.53 0.00 0.00 36.38 30.93 1k0s s VAL 126 CO 0.23 -0.13 0.68 -0.75 -3.33 0.00 0.00 175.10 171.80 1k0s s LYS 127 N -3.23 0.78 -0.16 1.54 2.20 -1.26 -0.93 119.74 118.67 1k0s s LYS 127 Ca 0.37 0.98 -0.29 0.00 -0.36 0.00 0.00 55.97 56.68 1k0s s LYS 127 Cb -0.11 0.35 0.10 0.00 -1.51 0.00 0.00 37.83 36.66 1k0s s LYS 127 CO 0.29 -0.10 0.88 0.99 -0.36 0.00 0.00 175.35 177.04 1k0s s THR 128 N 0.55 0.00 -1.44 3.43 2.01 -0.85 -4.92 115.64 114.42 1k0s s THR 128 Ca -0.02 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1k0s s THR 128 Cb -0.05 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1k0s s THR 128 CO -0.02 0.00 0.96 0.47 -0.69 0.00 0.00 174.62 175.33 1k0s n ASP 129 N 1.31 -4.15 -3.53 3.53 8.00 -1.26 -1.02 116.55 119.44 1k0s n ASP 129 Ca -0.14 -0.74 -0.26 0.00 0.71 0.00 0.00 54.79 54.36 1k0s n ASP 129 Cb 0.57 -4.16 0.03 0.00 -0.02 0.00 0.00 41.12 37.53 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k0s n GLY 130 N -1.70 -0.51 3.05 0.44 0.00 -1.26 -4.97 105.19 100.25 1k0s n GLY 130 Ca -0.05 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.22 1.19 0.02 1.61 1.70 -0.19 -5.13 118.95 111.93 1k0s s ARG 131 Ca 0.51 -0.42 -0.20 0.00 -0.47 0.00 0.00 55.73 55.15 1k0s s ARG 131 Cb -0.25 -1.09 -0.06 0.00 -0.57 0.00 0.00 34.95 32.98 1k0s s ARG 131 CO 0.63 0.18 0.59 -1.17 -1.08 0.00 0.00 175.30 174.45 1k0s s LEU 132 N 0.05 4.46 -0.13 -1.89 0.20 -1.26 -2.01 118.68 118.09 1k0s s LEU 132 Ca -0.02 1.20 -0.19 0.00 0.69 0.00 0.00 54.13 55.82 1k0s s LEU 132 Cb -0.09 -2.92 0.05 0.00 -0.43 0.00 0.00 46.19 42.80 1k0s s LEU 132 CO 0.01 0.16 0.49 -0.63 -0.29 0.00 0.00 176.35 176.09 1k0s s ILE 133 N -0.52 0.01 -0.11 6.68 1.01 -0.11 -2.62 121.20 125.55 1k0s s ILE 133 Ca 0.30 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 1k0s s ILE 133 Cb -0.19 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1k0s s ILE 133 CO 0.18 -0.05 0.30 -0.63 0.00 0.00 0.00 174.94 174.73 1k0s s ILE 134 N -0.27 5.27 -0.01 2.92 1.09 -0.34 0.67 121.20 130.53 1k0s s ILE 134 Ca -0.04 0.57 0.04 0.00 -1.10 0.00 0.00 60.65 60.12 1k0s s ILE 134 Cb -0.03 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.75 1k0s s ILE 134 CO 0.03 0.49 -0.14 -0.47 -0.10 0.00 0.00 174.94 174.75 1k0s s TYR 135 N -0.26 1.25 -0.02 3.97 5.04 -0.66 0.72 117.35 127.38 1k0s s TYR 135 Ca 0.18 -0.24 -0.30 0.00 -2.44 0.00 0.00 57.07 54.27 1k0s s TYR 135 Cb -0.14 -0.80 0.07 0.00 0.35 0.00 0.00 41.96 41.44 1k0s s TYR 135 CO 0.07 -0.02 0.67 -0.48 -1.34 0.00 0.00 175.55 174.45 1k0s s LEU 136 N -0.38 -0.64 -0.58 6.97 -0.00 -0.86 -1.83 118.68 121.34 1k0s s LEU 136 Ca 0.05 0.63 0.00 0.00 -0.00 0.00 0.00 54.13 54.82 1k0s s LEU 136 Cb -0.06 2.54 0.49 0.00 -0.00 0.00 0.00 46.19 49.17 1k0s s LEU 136 CO -0.00 -0.65 1.92 0.47 -0.00 0.00 0.00 176.35 178.08 1k0s n ASP 137 N 0.76 6.57 -1.01 1.48 9.92 -1.26 -2.19 116.55 130.82 1k0s n ASP 137 Ca -0.19 -3.76 0.00 0.00 -0.53 0.00 0.00 54.79 50.32 1k0s n ASP 137 Cb 0.58 -0.88 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k0s n ILE 138 N -0.95 0.00 -0.04 0.53 3.06 -1.26 -4.75 119.36 115.95 1k0s n ILE 138 Ca 0.60 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.81 1k0s n ILE 138 Cb 0.88 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 41.03 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 -0.02 0.65 9.51 3.58 -1.95 -2.56 116.42 125.63 1k0s h ASP 139 Ca 0.00 -0.25 -0.20 0.00 0.42 0.00 0.00 57.03 57.00 1k0s h ASP 139 Cb 0.02 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1k0s h ASP 139 CO 0.00 0.60 -0.92 0.11 -2.88 0.00 0.00 179.24 176.14 1k0s h LYS 140 N -1.00 0.17 -0.22 0.28 1.79 -1.85 -2.45 116.57 113.28 1k0s h LYS 140 Ca -0.00 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.21 1k0s h LYS 140 Cb 0.27 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1k0s h LYS 140 CO 0.00 0.98 -0.07 0.97 -1.08 0.00 0.00 179.45 180.25 1k0s h ILE 141 N 0.08 1.29 -0.39 1.86 -0.00 -1.72 -2.34 117.51 116.30 1k0s h ILE 141 Ca -0.05 -1.10 -0.03 0.00 -0.00 0.00 0.00 64.86 63.68 1k0s h ILE 141 Cb 1.58 1.55 -0.02 0.00 -0.00 0.00 0.00 36.82 39.93 1k0s h ILE 141 CO 0.14 0.34 0.12 -0.29 -0.00 0.00 0.00 178.15 178.45 1k0s h ILE 142 N 0.17 1.22 -0.87 2.19 6.09 -1.50 -1.15 117.51 123.65 1k0s h ILE 142 Ca 0.05 -0.72 0.21 0.00 -1.37 0.00 0.00 64.86 63.04 1k0s h ILE 142 Cb 0.55 0.95 -0.12 0.00 0.47 0.00 0.00 36.82 38.67 1k0s h ILE 142 CO 0.03 0.25 0.36 -0.08 -3.07 0.00 0.00 178.15 175.63 1k0s h GLU 143 N 0.48 0.37 -0.11 2.19 4.81 -1.35 0.88 114.58 121.85 1k0s h GLU 143 Ca 0.12 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1k0s h GLU 143 Cb 0.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1k0s h GLU 143 CO -0.00 0.24 -0.47 0.93 -0.73 0.00 0.00 179.01 178.98 1k0s h GLU 144 N 0.38 0.27 -0.98 1.92 5.08 -0.95 -2.47 114.58 117.84 1k0s h GLU 144 Ca 0.54 -0.15 0.10 0.00 -1.00 0.00 0.00 59.36 58.85 1k0s h GLU 144 Cb 1.01 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 1k0s h GLU 144 CO -0.53 0.69 0.61 0.82 -1.00 0.00 0.00 179.01 179.61 1k0s h ILE 145 N 0.22 0.97 0.01 3.13 2.04 0.20 0.60 117.51 124.68 1k0s h ILE 145 Ca 0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 1k0s h ILE 145 Cb 0.92 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1k0s h ILE 145 CO 0.08 0.19 -0.00 0.71 0.00 0.00 0.00 178.15 179.12 1k0s h THR 146 N 1.02 1.60 0.00 -0.27 1.35 -1.23 -3.28 112.91 112.10 1k0s h THR 146 Ca 0.46 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1k0s h THR 146 Cb 0.37 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 1k0s h THR 146 CO -0.23 0.51 0.00 0.55 -0.25 0.00 0.00 175.52 176.09 1k0s n VAL 147 N -4.68 0.00 -0.32 6.82 3.14 -0.94 -4.09 118.33 118.26 1k0s n VAL 147 Ca -0.09 0.00 0.18 0.00 -2.96 0.00 0.00 64.34 61.47 1k0s n VAL 147 Cb 0.41 -0.30 0.38 0.00 -1.06 0.00 0.00 33.84 33.27 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 0.37 -3.44 1.45 2.10 0.15 -3.48 116.57 113.72 1k0s h LYS 148 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1k0s h LYS 148 Cb 0.00 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 1k0s h LYS 148 CO 0.00 0.24 -0.81 -1.91 -2.00 0.00 0.00 179.45 174.97 1k0s n GLU 149 N -5.05 -4.35 -0.12 0.07 2.13 -1.26 -4.99 120.64 107.09 1k0s n GLU 149 Ca 0.27 3.16 -0.22 0.00 0.66 0.00 0.00 57.16 61.02 1k0s n GLU 149 Cb 0.80 -3.49 -0.09 0.00 0.27 0.00 0.00 31.44 28.93 1k0s n GLU 149 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k0s n GLY 150 N 0.08 -0.36 3.99 8.31 0.00 -1.26 -4.88 105.19 111.07 1k0s n GLY 150 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70