#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 -0.27 0.00 0.03 3.64 -2.08 -3.45 116.57 114.44 1k0s h LYS 2 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1k0s h LYS 2 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1k0s h LYS 2 CO 0.00 -0.06 0.00 2.41 -2.27 0.00 0.00 179.45 179.53 1k0s n THR 3 N -5.14 0.00 0.21 1.00 -1.04 -1.26 -4.39 114.28 103.67 1k0s n THR 3 Ca -0.09 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.10 1k0s n THR 3 Cb 0.19 0.00 0.83 0.00 -1.82 0.00 0.00 70.33 69.53 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 -9.38 -4.42 8.10 -2.09 -3.43 115.31 104.09 1k0s h LEU 4 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 57.88 57.36 1k0s h LEU 4 Cb 0.00 0.00 0.06 0.00 -0.44 0.00 0.00 40.66 40.28 1k0s h LEU 4 CO 0.00 0.00 0.61 0.00 -4.11 0.00 0.00 178.44 174.94 1k0s n ALA 5 N -2.21 0.11 -1.77 0.17 0.00 -1.26 -4.91 120.51 110.64 1k0s n ALA 5 Ca 0.02 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 1k0s n ALA 5 Cb 0.40 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1k0s n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k0s s ASP 6 N 0.67 6.56 0.03 0.00 -1.08 -1.26 -4.97 116.67 116.62 1k0s s ASP 6 Ca 0.82 2.55 -0.12 0.00 -0.52 0.00 0.00 52.55 55.28 1k0s s ASP 6 Cb -0.83 -2.63 -0.06 0.00 -1.46 0.00 0.00 42.92 37.94 1k0s s ASP 6 CO 0.43 -0.67 1.19 0.00 0.52 0.00 0.00 175.17 176.65 1k0s h ALA 7 N 2.94 -0.82 -0.00 3.66 0.00 -1.94 -3.42 119.26 119.69 1k0s h ALA 7 Ca -0.49 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 1k0s h ALA 7 Cb 1.24 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 19.37 1k0s h ALA 7 CO 0.64 -0.85 -0.30 1.28 0.00 0.00 0.00 179.25 180.02 1k0s n LEU 8 N -3.44 -1.64 -0.00 0.00 4.77 -1.26 -4.99 117.00 110.44 1k0s n LEU 8 Ca -0.04 -3.32 -0.12 0.00 -0.03 0.00 0.00 56.01 52.51 1k0s n LEU 8 Cb 0.16 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1k0s n LEU 8 CO 0.08 1.79 0.46 0.50 -1.33 0.00 0.00 177.39 178.89 1k0s h LYS 9 N 1.40 -0.08 -5.58 3.23 3.64 -1.88 -3.35 116.57 113.95 1k0s h LYS 9 Ca -0.38 0.01 -0.51 0.00 -1.27 0.00 0.00 60.65 58.50 1k0s h LYS 9 Cb 1.30 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 1k0s h LYS 9 CO -0.14 0.51 -0.68 -1.21 -2.27 0.00 0.00 179.45 175.66 1k0s s GLU 10 N -3.30 1.57 -0.19 1.90 2.02 -1.26 -3.15 118.70 116.29 1k0s s GLU 10 Ca -0.15 -1.79 -0.15 0.00 0.02 0.00 0.00 54.97 52.90 1k0s s GLU 10 Cb -0.00 -1.23 0.05 0.00 0.10 0.00 0.00 34.13 33.05 1k0s s GLU 10 CO 0.58 0.07 0.49 0.12 0.02 0.00 0.00 175.26 176.54 1k0s s PHE 11 N -2.95 -0.58 0.04 1.61 5.36 0.35 -4.81 117.98 116.99 1k0s s PHE 11 Ca 0.29 1.36 -0.20 0.00 -0.96 0.00 0.00 56.93 57.42 1k0s s PHE 11 Cb 0.03 0.23 -0.06 0.00 -0.34 0.00 0.00 43.02 42.88 1k0s s PHE 11 CO 0.12 -0.29 0.59 -1.21 -1.46 0.00 0.00 175.22 172.97 1k0s s GLU 12 N 0.56 4.28 0.26 10.12 2.02 -1.25 0.26 118.70 134.95 1k0s s GLU 12 Ca -0.02 0.76 -0.12 0.00 0.02 0.00 0.00 54.97 55.60 1k0s s GLU 12 Cb -0.04 -3.29 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 1k0s s GLU 12 CO -0.03 0.49 0.50 0.54 0.02 0.00 0.00 175.26 176.78 1k0s s VAL 13 N -0.63 0.00 -0.00 2.63 0.11 -0.37 -4.50 120.40 117.64 1k0s s VAL 13 Ca 0.30 -1.40 -0.20 0.00 -2.93 0.00 0.00 61.98 57.75 1k0s s VAL 13 Cb -0.19 -2.26 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 1k0s s VAL 13 CO 0.18 0.00 0.60 -0.22 -3.33 0.00 0.00 175.10 172.33 1k0s s LEU 14 N -3.04 4.42 0.02 2.54 1.98 -0.74 0.13 118.68 123.99 1k0s s LEU 14 Ca 0.23 1.16 -0.12 0.00 -2.89 0.00 0.00 54.13 52.51 1k0s s LEU 14 Cb -0.01 -2.92 0.01 0.00 0.66 0.00 0.00 46.19 43.93 1k0s s LEU 14 CO 0.10 0.10 0.25 -0.94 -1.89 0.00 0.00 176.35 173.97 1k0s s SER 15 N -0.18 -0.07 0.21 3.68 1.04 0.20 -0.36 113.70 118.22 1k0s s SER 15 Ca 0.31 -0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 1k0s s SER 15 Cb -0.18 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1k0s s SER 15 CO 0.17 -0.52 0.39 0.72 0.98 0.00 0.00 173.24 174.98 1k0s s PHE 16 N -2.11 0.40 -0.09 5.02 -0.12 0.16 0.14 117.98 121.39 1k0s s PHE 16 Ca -0.08 -0.75 -0.21 0.00 -0.05 0.00 0.00 56.93 55.83 1k0s s PHE 16 Cb -0.03 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1k0s s PHE 16 CO -0.01 -0.87 0.62 -2.00 -0.05 0.00 0.00 175.22 172.91 1k0s s GLU 17 N -4.00 4.39 -0.09 1.99 2.12 0.14 0.11 118.70 123.36 1k0s s GLU 17 Ca 0.21 0.72 -0.02 0.00 0.36 0.00 0.00 54.97 56.24 1k0s s GLU 17 Cb 0.01 -3.45 0.04 0.00 0.26 0.00 0.00 34.13 30.99 1k0s s GLU 17 CO 0.06 0.08 0.03 0.42 -0.54 0.00 0.00 175.26 175.30 1k0s s ILE 18 N 0.79 0.26 -1.12 -3.70 -1.09 0.17 -4.34 121.20 112.17 1k0s s ILE 18 Ca 0.33 0.07 -0.33 0.00 -2.23 0.00 0.00 60.65 58.49 1k0s s ILE 18 Cb -0.17 -0.53 0.05 0.00 -1.58 0.00 0.00 42.46 40.23 1k0s s ILE 18 CO 0.15 0.13 0.63 -0.90 -1.23 0.00 0.00 174.94 173.72 1k0s n ASP 19 N 5.18 -3.78 0.00 3.58 5.68 -1.26 -0.60 116.55 125.35 1k0s n ASP 19 Ca -0.06 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1k0s n ASP 19 Cb 0.50 -1.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.02 1k0s n ASP 19 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1k0s n GLU 20 N -4.77 0.00 -2.71 0.11 4.71 -1.26 -4.84 120.64 111.88 1k0s n GLU 20 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.79 1k0s n GLU 20 Cb 0.52 -0.03 0.01 0.00 -1.01 0.00 0.00 31.44 30.93 1k0s n GLU 20 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1k0s s GLN 21 N 0.00 3.17 0.30 3.49 1.03 0.24 -5.04 119.66 122.84 1k0s s GLN 21 Ca 0.00 -0.12 -0.11 0.00 0.04 0.00 0.00 55.36 55.17 1k0s s GLN 21 Cb 0.00 -2.41 -0.07 0.00 0.03 0.00 0.00 33.01 30.55 1k0s s GLN 21 CO 0.00 -0.38 0.65 0.00 -2.54 0.00 0.00 175.29 173.02 1k0s s ALA 22 N -2.74 3.46 -0.03 2.60 0.00 -0.91 0.44 121.76 124.58 1k0s s ALA 22 Ca 0.49 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1k0s s ALA 22 Cb -0.10 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.47 1k0s s ALA 22 CO 0.42 0.32 -0.07 -1.17 0.00 0.00 0.00 175.76 175.26 1k0s s LEU 23 N -3.18 1.69 0.00 0.00 2.96 0.12 0.58 118.68 120.85 1k0s s LEU 23 Ca 0.49 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1k0s s LEU 23 Cb -0.11 -0.47 -0.00 0.00 0.50 0.00 0.00 46.19 46.11 1k0s s LEU 23 CO 0.23 0.03 -0.04 0.00 -1.32 0.00 0.00 176.35 175.25 1k0s s ALA 24 N 0.35 0.31 -0.06 5.97 0.00 0.21 0.37 121.76 128.91 1k0s s ALA 24 Ca -0.05 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1k0s s ALA 24 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1k0s s ALA 24 CO 0.00 0.06 -0.24 -0.06 0.00 0.00 0.00 175.76 175.53 1k0s s PHE 25 N -0.22 2.47 -0.09 0.00 0.40 0.52 -1.55 117.98 119.51 1k0s s PHE 25 Ca 0.00 -0.65 -0.37 0.00 -0.60 0.00 0.00 56.93 55.31 1k0s s PHE 25 Cb -0.02 -1.60 -0.15 0.00 0.51 0.00 0.00 43.02 41.76 1k0s s PHE 25 CO -0.00 -0.17 1.68 -3.47 0.70 0.00 0.00 175.22 173.96 1k0s n ASP 26 N 2.88 2.63 0.00 1.36 -0.08 -1.00 -1.80 116.55 120.54 1k0s n ASP 26 Ca -0.17 1.06 0.03 0.00 -1.51 0.00 0.00 54.79 54.20 1k0s n ASP 26 Cb 0.52 -1.26 0.15 0.00 2.34 0.00 0.00 41.12 42.87 1k0s n ASP 26 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1k0s n VAL 27 N 4.15 1.35 0.11 5.18 0.24 -1.26 -2.44 118.33 125.67 1k0s n VAL 27 Ca 0.22 0.34 0.10 0.00 -2.04 0.00 0.00 64.34 62.96 1k0s n VAL 27 Cb 0.21 -1.23 0.58 0.00 -1.47 0.00 0.00 33.84 31.93 1k0s n VAL 27 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1k0s h ASP 28 N 0.00 0.16 0.00 -1.34 3.58 -1.91 -3.29 116.42 113.62 1k0s h ASP 28 Ca 0.00 -0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1k0s h ASP 28 Cb 0.10 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 1k0s h ASP 28 CO 0.00 0.11 -1.99 -3.20 -2.88 0.00 0.00 179.24 171.27 1k0s n ASN 29 N -4.49 1.29 -4.59 2.28 5.15 -1.02 -5.01 115.26 108.87 1k0s n ASN 29 Ca 0.02 0.22 -0.47 0.00 -0.60 0.00 0.00 54.58 53.75 1k0s n ASN 29 Cb 0.21 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 38.89 1k0s n ASN 29 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1k0s n ILE 30 N -3.83 1.18 -0.05 -1.44 2.08 -1.20 -3.88 119.36 112.22 1k0s n ILE 30 Ca -0.35 -0.29 -0.11 0.00 0.56 0.00 0.00 62.75 62.55 1k0s n ILE 30 Cb 0.75 -0.96 -0.04 0.00 -0.75 0.00 0.00 39.64 38.64 1k0s n ILE 30 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1k0s n GLU 31 N 1.54 0.25 -3.54 0.38 0.28 -0.94 -4.85 120.64 113.76 1k0s n GLU 31 Ca 0.13 0.11 -0.08 0.00 -0.16 0.00 0.00 57.16 57.16 1k0s n GLU 31 Cb 0.27 -0.92 -0.03 0.00 1.43 0.00 0.00 31.44 32.20 1k0s n GLU 31 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1k0s s MET 32 N -2.25 0.67 0.77 3.44 -1.94 -1.14 -5.04 119.30 113.81 1k0s s MET 32 Ca -0.16 -0.17 -0.04 0.00 -1.71 0.00 0.00 55.69 53.61 1k0s s MET 32 Cb 0.06 0.31 0.14 0.00 2.01 0.00 0.00 34.83 37.35 1k0s s MET 32 CO 0.21 -0.28 1.05 0.14 -0.01 0.00 0.00 175.02 176.13 1k0s s VAL 33 N -2.57 2.11 0.09 -6.03 -7.23 -1.26 0.11 120.40 105.62 1k0s s VAL 33 Ca 0.04 -0.48 -0.25 0.00 -1.81 0.00 0.00 61.98 59.48 1k0s s VAL 33 Cb -0.01 -2.62 0.07 0.00 0.56 0.00 0.00 36.38 34.38 1k0s s VAL 33 CO -0.06 0.00 0.65 0.27 -0.31 0.00 0.00 175.10 175.65 1k0s s ILE 34 N -3.28 0.00 0.02 -0.62 -4.36 0.21 -4.70 121.20 108.48 1k0s s ILE 34 Ca 0.68 0.00 -0.20 0.00 -0.26 0.00 0.00 60.65 60.86 1k0s s ILE 34 Cb -0.05 -1.00 -0.06 0.00 1.25 0.00 0.00 42.46 42.60 1k0s s ILE 34 CO 0.46 0.00 0.60 -1.61 0.24 0.00 0.00 174.94 174.63 1k0s s GLU 35 N -3.06 4.29 -0.09 0.37 2.02 -1.26 -0.04 118.70 120.93 1k0s s GLU 35 Ca -0.02 0.75 -0.21 0.00 0.02 0.00 0.00 54.97 55.52 1k0s s GLU 35 Cb -0.01 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1k0s s GLU 35 CO -0.07 0.45 0.60 0.21 0.02 0.00 0.00 175.26 176.47 1k0s s LYS 36 N -0.49 4.39 -0.30 1.61 2.36 -1.26 -4.81 119.74 121.24 1k0s s LYS 36 Ca 0.31 0.69 -0.16 0.00 -2.55 0.00 0.00 55.97 54.26 1k0s s LYS 36 Cb -0.19 -3.44 0.19 0.00 -1.05 0.00 0.00 37.83 33.34 1k0s s LYS 36 CO 0.18 0.11 1.17 -1.54 1.55 0.00 0.00 175.35 176.82 1k0s s SER 37 N 0.71 -0.20 -1.73 1.43 1.04 -1.26 -4.93 113.70 108.76 1k0s s SER 37 Ca 0.32 0.32 -0.13 0.00 0.48 0.00 0.00 55.95 56.95 1k0s s SER 37 Cb -0.17 1.09 0.13 0.00 0.10 0.00 0.00 66.02 67.17 1k0s s SER 37 CO 0.15 -0.05 0.34 -0.67 0.98 0.00 0.00 173.24 173.98 1k0s n ASP 38 N 3.33 -0.60 -4.84 7.02 2.03 -1.26 -4.89 116.55 117.33 1k0s n ASP 38 Ca -0.17 -1.26 -0.32 0.00 0.52 0.00 0.00 54.79 53.56 1k0s n ASP 38 Cb 0.57 -1.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.33 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k0s s ILE 39 N -3.76 4.37 -0.83 5.18 1.01 -1.26 -4.84 121.20 121.07 1k0s s ILE 39 Ca 0.46 1.01 -0.14 0.00 0.00 0.00 0.00 60.65 61.98 1k0s s ILE 39 Cb -0.27 -3.65 -0.25 0.00 0.01 0.00 0.00 42.46 38.30 1k0s s ILE 39 CO 1.01 -0.77 1.95 0.41 0.00 0.00 0.00 174.94 177.54 1k0s n THR 40 N -2.09 0.00 -0.11 2.92 -1.04 -1.13 -4.75 114.28 108.07 1k0s n THR 40 Ca 0.07 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 1k0s n THR 40 Cb 0.54 -0.15 -0.08 0.00 -1.82 0.00 0.00 70.33 68.82 1k0s n THR 40 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1k0s n PRO 41 N 5.47 0.55 -0.05 -2.82 -0.04 -1.26 -4.04 135.00 132.81 1k0s n PRO 41 Ca 0.56 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1k0s n PRO 41 Cb 0.08 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 1k0s n PRO 41 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k0s h VAL 42 N -1.00 1.30 0.25 0.52 2.07 -1.96 -3.31 116.25 114.11 1k0s h VAL 42 Ca -0.38 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.13 1k0s h VAL 42 Cb 1.26 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 1k0s h VAL 42 CO -0.23 0.30 -0.43 -0.65 0.02 0.00 0.00 177.57 176.58 1k0s h PRO 43 N -0.04 -0.72 0.00 1.57 0.11 -1.97 -3.43 132.00 127.52 1k0s h PRO 43 Ca 0.03 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1k0s h PRO 43 Cb 0.48 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1k0s h PRO 43 CO 0.02 -0.48 0.00 1.17 -0.21 0.00 0.00 178.00 178.49 1k0s n LYS 44 N -5.49 0.00 -4.34 1.05 4.81 -1.25 -4.73 118.16 108.21 1k0s n LYS 44 Ca -0.09 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.00 1k0s n LYS 44 Cb 0.40 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.38 1k0s n LYS 44 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1k0s n SER 45 N 0.84 -0.96 0.00 3.14 7.64 -1.26 -4.55 113.62 118.47 1k0s n SER 45 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1k0s n SER 45 Cb 0.00 -1.98 0.00 0.00 -1.01 0.00 0.00 64.21 61.22 1k0s n SER 45 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k0s n ARG 46 N -4.34 0.00 0.00 1.43 1.74 -1.26 -5.05 116.66 109.18 1k0s n ARG 46 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1k0s n ARG 46 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1k0s n ARG 46 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k0s n HIS 47 N -1.15 0.00 0.09 -1.55 8.25 -1.26 -4.29 115.22 115.31 1k0s n HIS 47 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1k0s n HIS 47 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1k0s n HIS 47 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1k0s h PHE 48 N 0.00 -0.24 -3.26 4.41 3.57 -1.96 -3.43 116.94 116.02 1k0s h PHE 48 Ca 0.00 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.97 1k0s h PHE 48 Cb 0.00 0.08 0.04 0.00 2.79 0.00 0.00 35.95 38.86 1k0s h PHE 48 CO 0.00 0.12 0.72 0.08 -2.23 0.00 0.00 178.31 177.00 1k0s s VAL 49 N -4.46 3.00 0.17 1.41 1.01 -1.26 -4.81 120.40 115.47 1k0s s VAL 49 Ca -0.14 0.79 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1k0s s VAL 49 Cb 0.02 -3.51 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1k0s s VAL 49 CO 0.57 0.11 1.44 1.05 0.00 0.00 0.00 175.10 178.27 1k0s h GLU 50 N 5.66 0.49 0.00 2.72 -0.00 -1.80 -3.45 114.58 118.20 1k0s h GLU 50 Ca -0.44 -0.37 -0.04 0.00 -0.00 0.00 0.00 59.36 58.51 1k0s h GLU 50 Cb 1.21 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 1k0s h GLU 50 CO 0.80 1.00 0.14 0.41 -0.00 0.00 0.00 179.01 181.36 1k0s n GLY 51 N 0.48 1.51 3.75 1.06 0.00 -0.97 -4.77 105.19 106.26 1k0s n GLY 51 Ca -0.04 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.48 0.00 -0.26 1.61 -7.23 -1.26 0.24 120.40 111.03 1k0s s VAL 52 Ca 0.11 -1.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 1k0s s VAL 52 Cb -0.03 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.93 1k0s s VAL 52 CO 0.08 -0.00 0.67 0.27 -0.31 0.00 0.00 175.10 175.81 1k0s s ILE 53 N -3.95 -0.00 -0.31 -0.62 -4.36 -0.67 -2.83 121.20 108.46 1k0s s ILE 53 Ca 0.15 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.33 1k0s s ILE 53 Cb -0.04 -0.94 -0.00 0.00 1.25 0.00 0.00 42.46 42.73 1k0s s ILE 53 CO 0.07 0.00 0.69 0.21 0.24 0.00 0.00 174.94 176.16 1k0s s ASN 54 N 0.59 6.55 -0.05 4.36 3.04 -1.26 -0.61 114.94 127.55 1k0s s ASN 54 Ca -0.02 0.48 -0.05 0.00 0.04 0.00 0.00 52.86 53.31 1k0s s ASN 54 Cb -0.05 -2.36 0.01 0.00 -1.54 0.00 0.00 41.25 37.32 1k0s s ASN 54 CO -0.03 -0.55 0.15 -0.76 -3.04 0.00 0.00 177.10 172.87 1k0s s LEU 55 N 2.77 1.43 -1.41 3.21 2.01 0.54 -4.89 118.68 122.35 1k0s s LEU 55 Ca 0.28 0.27 -0.06 0.00 0.01 0.00 0.00 54.13 54.63 1k0s s LEU 55 Cb -0.14 0.53 0.04 0.00 0.01 0.00 0.00 46.19 46.62 1k0s s LEU 55 CO 0.13 -0.07 0.80 0.54 1.01 0.00 0.00 176.35 178.76 1k0s n ARG 56 N 2.90 -5.10 -3.20 1.70 3.00 -1.26 -1.07 116.66 113.63 1k0s n ARG 56 Ca -0.13 0.60 -0.23 0.00 -0.01 0.00 0.00 57.85 58.08 1k0s n ARG 56 Cb 0.59 -5.27 0.02 0.00 0.00 0.00 0.00 32.46 27.80 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1k0s n GLY 57 N -1.65 -0.51 3.64 -0.13 0.00 -1.26 -4.96 105.19 100.32 1k0s n GLY 57 Ca -0.16 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1k0s n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k0s s ARG 58 N -5.88 0.72 -0.02 1.61 0.52 -0.23 -5.15 118.95 110.51 1k0s s ARG 58 Ca 0.36 1.19 -0.21 0.00 -0.52 0.00 0.00 55.73 56.56 1k0s s ARG 58 Cb -0.17 0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.42 1k0s s ARG 58 CO 0.45 -0.14 0.59 0.42 0.02 0.00 0.00 175.30 176.64 1k0s s ILE 59 N 1.48 4.96 -0.10 1.52 1.09 -1.26 -0.33 121.20 128.55 1k0s s ILE 59 Ca -0.09 1.24 0.02 0.00 -1.10 0.00 0.00 60.65 60.72 1k0s s ILE 59 Cb -0.05 -3.93 -0.01 0.00 -1.06 0.00 0.00 42.46 37.40 1k0s s ILE 59 CO -0.17 0.39 -0.16 0.27 -0.10 0.00 0.00 174.94 175.16 1k0s s ILE 60 N 0.01 2.79 -0.32 2.92 -5.25 0.22 -4.87 121.20 116.70 1k0s s ILE 60 Ca 0.31 -0.78 -0.25 0.00 -0.99 0.00 0.00 60.65 58.94 1k0s s ILE 60 Cb -0.18 -2.12 0.01 0.00 2.95 0.00 0.00 42.46 43.12 1k0s s ILE 60 CO 0.17 0.55 0.88 -2.16 -1.79 0.00 0.00 174.94 172.58 1k0s s PRO 61 N 0.06 3.96 -0.66 0.37 0.04 -1.24 -1.66 135.00 135.86 1k0s s PRO 61 Ca -0.07 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 61.45 1k0s s PRO 61 Cb -0.15 -3.75 0.08 0.00 0.04 0.00 0.00 34.50 30.72 1k0s s PRO 61 CO 0.05 -0.78 0.94 0.14 0.04 0.00 0.00 177.00 177.39 1k0s s VAL 62 N 3.21 4.40 0.35 -0.36 -7.23 0.14 -1.56 120.40 119.35 1k0s s VAL 62 Ca 0.36 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 60.09 1k0s s VAL 62 Cb -0.13 -4.67 0.06 0.00 0.56 0.00 0.00 36.38 32.20 1k0s s VAL 62 CO 0.14 -1.42 0.48 0.52 -0.31 0.00 0.00 175.10 174.51 1k0s n VAL 63 N 5.86 0.00 -3.63 1.32 0.31 0.16 -2.28 118.33 120.07 1k0s n VAL 63 Ca -0.03 -1.12 -0.29 0.00 -0.01 0.00 0.00 64.34 62.89 1k0s n VAL 63 Cb 0.45 -0.74 -0.12 0.00 -0.91 0.00 0.00 33.84 32.52 1k0s n VAL 63 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1k0s s ASN 64 N -3.13 3.29 0.60 4.52 0.01 -1.26 -1.28 114.94 117.70 1k0s s ASN 64 Ca 0.36 -2.68 0.28 0.00 -0.71 0.00 0.00 52.86 50.11 1k0s s ASN 64 Cb -0.03 -0.86 1.42 0.00 0.41 0.00 0.00 41.25 42.19 1k0s s ASN 64 CO 0.23 -0.25 1.83 0.25 -1.51 0.00 0.00 177.10 177.65 1k0s h LEU 65 N 6.54 0.00 -1.37 0.60 6.46 -1.87 0.49 115.31 126.17 1k0s h LEU 65 Ca 0.06 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1k0s h LEU 65 Cb 0.92 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1k0s h LEU 65 CO 0.44 0.00 -0.32 0.00 -0.62 0.00 0.00 178.44 177.94 1k0s h ALA 66 N 1.32 1.43 0.14 1.25 0.00 -1.90 0.43 119.26 121.94 1k0s h ALA 66 Ca 0.20 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 1k0s h ALA 66 Cb 1.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k0s h ALA 66 CO -0.00 0.40 -1.71 1.57 0.00 0.00 0.00 179.25 179.50 1k0s h LYS 67 N 0.00 0.30 -0.55 0.00 5.09 -0.23 1.19 116.57 122.37 1k0s h LYS 67 Ca -0.00 -0.52 -0.08 0.00 0.09 0.00 0.00 60.65 60.14 1k0s h LYS 67 Cb 0.58 0.19 -0.02 0.00 0.10 0.00 0.00 32.23 33.08 1k0s h LYS 67 CO 0.04 1.18 0.03 0.97 -2.09 0.00 0.00 179.45 179.58 1k0s h ILE 68 N 0.08 1.25 0.05 0.07 2.10 -1.30 -2.81 117.51 116.95 1k0s h ILE 68 Ca -0.32 -1.04 -0.09 0.00 1.08 0.00 0.00 64.86 64.49 1k0s h ILE 68 Cb 2.06 0.80 0.01 0.00 -1.09 0.00 0.00 36.82 38.59 1k0s h ILE 68 CO 0.15 0.38 -0.40 0.25 -1.08 0.00 0.00 178.15 177.45 1k0s h LEU 69 N 0.86 0.27 0.00 2.19 7.12 -0.22 -3.50 115.31 122.04 1k0s h LEU 69 Ca 0.17 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.28 1k0s h LEU 69 Cb 0.47 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1k0s h LEU 69 CO 0.02 1.14 0.00 0.61 -0.13 0.00 0.00 178.44 180.08 1k0s n GLY 70 N 1.40 1.68 0.85 3.75 0.00 0.41 -5.05 105.19 108.24 1k0s n GLY 70 Ca -0.11 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.21 -0.33 -0.61 -5.35 -1.25 -3.95 119.36 107.65 1k0s n ILE 71 Ca 0.00 0.28 0.30 0.00 -0.27 0.00 0.00 62.75 63.07 1k0s n ILE 71 Cb 0.00 -0.46 0.64 0.00 -1.74 0.00 0.00 39.64 38.08 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 -1.16 0.20 -0.82 7.28 0.87 -1.92 -3.43 113.55 114.58 1k0s h SER 72 Ca -0.06 0.04 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 1k0s h SER 72 Cb 0.76 0.01 0.08 0.00 -0.44 0.00 0.00 62.40 62.81 1k0s h SER 72 CO 0.02 0.02 -0.46 0.33 -0.53 0.00 0.00 176.83 176.22 1k0s n PHE 73 N -4.40 -0.95 -2.12 2.24 7.35 -1.25 -4.93 117.46 113.40 1k0s n PHE 73 Ca 0.26 0.37 -0.04 0.00 -0.76 0.00 0.00 57.45 57.28 1k0s n PHE 73 Cb 1.10 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.97 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 1.20 -0.79 -3.73 -2.13 2.03 -1.26 -4.95 116.55 106.92 1k0s n ASP 74 Ca 0.07 -1.53 -0.24 0.00 0.52 0.00 0.00 54.79 53.61 1k0s n ASP 74 Cb 0.20 0.30 0.04 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.38 -5.60 -0.11 -0.67 1.02 -1.26 -4.93 120.64 108.71 1k0s n GLU 75 Ca -0.17 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.44 1k0s n GLU 75 Cb 0.63 -5.42 -0.08 0.00 -0.02 0.00 0.00 31.44 26.55 1k0s n GLU 75 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1k0s n GLN 76 N -4.46 0.55 -0.10 3.49 1.13 -1.26 -4.76 117.38 111.97 1k0s n GLN 76 Ca -0.17 0.38 -0.11 0.00 -1.94 0.00 0.00 57.00 55.17 1k0s n GLN 76 Cb 0.62 -1.58 -0.13 0.00 0.11 0.00 0.00 30.24 29.25 1k0s n GLN 76 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1k0s n LYS 77 N -4.40 0.91 -0.60 -1.09 4.01 -1.26 -5.04 118.16 110.69 1k0s n LYS 77 Ca -0.33 0.03 -0.20 0.00 -0.51 0.00 0.00 58.31 57.30 1k0s n LYS 77 Cb 0.66 -1.47 -0.01 0.00 -0.51 0.00 0.00 35.03 33.71 1k0s n LYS 77 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1k0s n MET 78 N -2.81 0.00 -1.73 1.97 2.81 -1.26 -4.72 117.12 111.38 1k0s n MET 78 Ca -0.33 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.56 1k0s n MET 78 Cb 1.05 -0.44 0.03 0.00 -0.71 0.00 0.00 33.22 33.15 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 0.50 0.34 -3.59 0.03 -0.00 0.37 -4.80 118.16 111.01 1k0s n LYS 79 Ca 0.07 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.31 58.05 1k0s n LYS 79 Cb 0.14 0.14 -0.06 0.00 -0.00 0.00 0.00 35.03 35.25 1k0s n LYS 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1k0s s SER 80 N -0.29 -0.55 0.12 -5.58 0.15 0.19 -4.53 113.70 103.21 1k0s s SER 80 Ca 0.02 0.84 -0.01 0.00 0.70 0.00 0.00 55.95 57.50 1k0s s SER 80 Cb 0.11 1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 65.71 1k0s s SER 80 CO -0.03 -0.13 0.30 -0.63 1.20 0.00 0.00 173.24 173.94 1k0s s ILE 81 N 1.61 5.29 -0.17 6.45 1.01 0.94 0.69 121.20 137.02 1k0s s ILE 81 Ca -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1k0s s ILE 81 Cb -0.04 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1k0s s ILE 81 CO -0.16 0.03 -0.13 -0.63 0.00 0.00 0.00 174.94 174.05 1k0s s ILE 82 N -1.64 2.77 0.18 2.92 1.01 0.22 0.67 121.20 127.33 1k0s s ILE 82 Ca 0.37 -0.72 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1k0s s ILE 82 Cb -0.12 -2.19 -0.07 0.00 0.01 0.00 0.00 42.46 40.09 1k0s s ILE 82 CO 0.27 0.50 0.52 -0.69 0.00 0.00 0.00 174.94 175.54 1k0s s VAL 83 N 0.99 4.94 0.26 2.92 1.01 0.31 -1.00 120.40 129.83 1k0s s VAL 83 Ca -0.02 0.57 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 1k0s s VAL 83 Cb -0.15 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1k0s s VAL 83 CO -0.02 0.09 0.46 0.00 0.00 0.00 0.00 175.10 175.63 1k0s s ALA 84 N -1.63 -0.02 0.03 5.51 0.00 0.29 -2.20 121.76 123.72 1k0s s ALA 84 Ca 0.42 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1k0s s ALA 84 Cb -0.13 1.09 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1k0s s ALA 84 CO 0.20 -0.83 -0.17 -0.98 0.00 0.00 0.00 175.76 173.98 1k0s s ARG 85 N -3.86 1.21 -0.29 0.00 1.70 -1.25 0.37 118.95 116.83 1k0s s ARG 85 Ca 0.25 -0.78 -0.00 0.00 -0.47 0.00 0.00 55.73 54.73 1k0s s ARG 85 Cb -0.00 -1.25 0.19 0.00 -0.57 0.00 0.00 34.95 33.32 1k0s s ARG 85 CO 0.11 0.32 0.57 0.95 -1.08 0.00 0.00 175.30 176.17 1k0s s THR 86 N -0.70 -0.95 -1.47 4.99 -4.23 0.35 -4.85 115.64 108.77 1k0s s THR 86 Ca 0.05 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1k0s s THR 86 Cb -0.08 -0.98 0.02 0.00 1.34 0.00 0.00 72.50 72.81 1k0s s THR 86 CO 0.01 -0.02 0.41 1.17 -0.54 0.00 0.00 174.62 175.65 1k0s n LYS 87 N 5.42 -2.92 -2.45 3.99 3.00 -1.26 -0.06 118.16 123.88 1k0s n LYS 87 Ca -0.00 0.35 -0.08 0.00 -0.00 0.00 0.00 58.31 58.57 1k0s n LYS 87 Cb 0.51 -4.47 0.01 0.00 0.00 0.00 0.00 35.03 31.08 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 -2.92 -3.17 -3.79 3.14 9.92 -1.26 -5.02 116.55 113.44 1k0s n ASP 88 Ca -0.26 -0.08 -0.28 0.00 -0.53 0.00 0.00 54.79 53.64 1k0s n ASP 88 Cb 0.66 -2.19 -0.16 0.00 -0.64 0.00 0.00 41.12 38.79 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k0s s VAL 89 N -2.68 0.76 -0.76 2.53 1.01 0.91 -5.07 120.40 117.10 1k0s s VAL 89 Ca 0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1k0s s VAL 89 Cb -0.04 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.24 1k0s s VAL 89 CO 0.11 -0.15 1.03 -1.61 0.00 0.00 0.00 175.10 174.48 1k0s s GLU 90 N 1.75 3.29 0.33 2.72 8.01 -1.25 0.13 118.70 133.68 1k0s s GLU 90 Ca -0.02 -1.17 -0.09 0.00 0.01 0.00 0.00 54.97 53.70 1k0s s GLU 90 Cb -0.17 -4.51 -0.07 0.00 -4.31 0.00 0.00 34.13 25.07 1k0s s GLU 90 CO -0.07 -1.81 0.67 0.08 0.01 0.00 0.00 175.26 174.13 1k0s s VAL 91 N 3.62 4.86 0.10 2.63 1.01 0.16 -3.66 120.40 129.12 1k0s s VAL 91 Ca 0.26 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.77 1k0s s VAL 91 Cb -0.12 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1k0s s VAL 91 CO 0.03 -0.34 -0.12 -0.83 0.00 0.00 0.00 175.10 173.84 1k0s s GLY 92 N -2.90 0.89 -0.02 4.51 0.00 -0.60 0.10 107.32 109.30 1k0s s GLY 92 Ca 0.49 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.05 1k0s s GLY 92 CO 0.27 -1.22 0.03 -0.12 0.00 0.00 0.00 173.10 172.07 1k0s s PHE 93 N -2.09 0.05 0.02 1.90 5.36 -0.17 0.39 117.98 123.44 1k0s s PHE 93 Ca 0.04 0.14 -0.20 0.00 -0.96 0.00 0.00 56.93 55.95 1k0s s PHE 93 Cb -0.05 -0.29 -0.06 0.00 -0.34 0.00 0.00 43.02 42.29 1k0s s PHE 93 CO 0.01 -0.11 0.60 -1.17 -1.46 0.00 0.00 175.22 173.09 1k0s s LEU 94 N 1.23 4.45 0.00 6.12 2.96 -0.41 0.70 118.68 133.73 1k0s s LEU 94 Ca -0.07 1.20 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1k0s s LEU 94 Cb -0.13 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1k0s s LEU 94 CO -0.03 0.14 0.26 1.33 -1.32 0.00 0.00 176.35 176.73 1k0s n VAL 95 N 2.48 0.00 -0.06 1.68 0.24 0.22 -4.78 118.33 118.10 1k0s n VAL 95 Ca -0.07 -0.93 -0.09 0.00 -2.04 0.00 0.00 64.34 61.21 1k0s n VAL 95 Cb 0.51 0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.85 1.61 -3.79 -1.34 -0.08 -1.26 0.14 116.55 109.98 1k0s n ASP 96 Ca 0.00 0.26 -0.25 0.00 -1.51 0.00 0.00 54.79 53.29 1k0s n ASP 96 Cb 0.31 -0.60 -0.17 0.00 2.34 0.00 0.00 41.12 43.00 1k0s n ASP 96 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1k0s s ARG 97 N -2.57 0.80 -0.30 -0.67 3.52 -1.26 -4.41 118.95 114.06 1k0s s ARG 97 Ca -0.21 -0.16 -0.09 0.00 -0.13 0.00 0.00 55.73 55.14 1k0s s ARG 97 Cb 0.04 -1.50 -0.01 0.00 -1.56 0.00 0.00 34.95 31.92 1k0s s ARG 97 CO 0.30 -0.42 0.13 0.54 -0.81 0.00 0.00 175.30 175.04 1k0s s VAL 98 N 1.88 4.48 0.40 7.11 0.11 -1.26 0.29 120.40 133.41 1k0s s VAL 98 Ca 0.03 -0.42 0.14 0.00 -2.93 0.00 0.00 61.98 58.80 1k0s s VAL 98 Cb -0.14 -3.26 0.14 0.00 -1.53 0.00 0.00 36.38 31.59 1k0s s VAL 98 CO -0.07 0.10 1.91 -0.07 -3.33 0.00 0.00 175.10 173.65 1k0s h LEU 99 N 8.32 0.00 0.00 2.54 -0.00 0.95 -3.47 115.31 123.65 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 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1k0s h LEU 99 CO 0.61 0.28 0.00 0.61 -0.00 0.00 0.00 178.44 179.94 1k0s n GLY 100 N -0.70 1.56 3.65 0.83 0.00 -0.04 -4.89 105.19 105.59 1k0s n GLY 100 Ca -0.02 -0.71 -0.48 0.00 0.00 0.00 0.00 46.02 44.81 1k0s n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k0s n VAL 101 N 0.00 0.00 -4.39 1.61 0.24 -1.25 -0.63 118.33 113.92 1k0s n VAL 101 Ca 0.00 -0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1k0s n VAL 101 Cb 0.00 -1.33 -0.14 0.00 -1.47 0.00 0.00 33.84 30.90 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1k0s s LEU 102 N 0.81 2.06 -1.30 1.34 2.96 0.34 -4.80 118.68 120.09 1k0s s LEU 102 Ca 0.81 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 54.37 1k0s s LEU 102 Cb -0.76 -0.52 0.15 0.00 0.50 0.00 0.00 46.19 45.56 1k0s s LEU 102 CO 0.41 0.09 1.97 -2.11 -1.32 0.00 0.00 176.35 175.38 1k0s n ARG 103 N 2.58 3.69 -3.17 1.98 1.85 -1.26 -1.24 116.66 121.08 1k0s n ARG 103 Ca -0.15 -3.45 -0.39 0.00 -1.00 0.00 0.00 57.85 52.86 1k0s n ARG 103 Cb 0.56 -2.91 -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 0.38 5.02 0.48 8.89 -1.09 0.14 -4.79 121.20 130.23 1k0s s ILE 104 Ca 0.42 1.25 -0.03 0.00 -2.23 0.00 0.00 60.65 60.06 1k0s s ILE 104 Cb 0.11 -3.94 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 1k0s s ILE 104 CO -0.01 0.34 0.65 0.35 -1.23 0.00 0.00 174.94 175.04 1k0s n THR 105 N 3.32 0.00 -3.10 2.92 -2.24 -1.26 0.13 114.28 114.04 1k0s n THR 105 Ca -0.05 -0.83 -0.18 0.00 -2.27 0.00 0.00 64.05 60.72 1k0s n THR 105 Cb 0.51 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.42 1k0s n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k0s n GLU 106 N -2.27 0.49 -0.80 -0.78 2.13 -1.19 -4.71 120.64 113.52 1k0s n GLU 106 Ca 0.10 -2.72 0.06 0.00 0.66 0.00 0.00 57.16 55.25 1k0s n GLU 106 Cb 0.35 -1.47 0.36 0.00 0.27 0.00 0.00 31.44 30.94 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 2.28 5.14 0.00 4.31 5.03 -1.26 -4.21 115.26 126.56 1k0s n ASN 107 Ca 0.22 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.66 1k0s n ASN 107 Cb 0.53 -0.66 0.00 0.00 -1.02 0.00 0.00 39.78 38.64 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 0.22 0.00 0.17 3.52 10.64 -1.26 -4.78 117.38 125.89 1k0s n GLN 108 Ca 0.28 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.50 1k0s n GLN 108 Cb 1.15 -0.36 0.50 0.00 -0.86 0.00 0.00 30.24 30.67 1k0s n GLN 108 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1k0s h LEU 109 N 0.00 0.13 0.00 2.61 3.38 -1.83 -3.39 115.31 116.20 1k0s h LEU 109 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k0s h LEU 109 Cb 0.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1k0s h LEU 109 CO 0.00 0.21 0.00 -0.67 0.09 0.00 0.00 178.44 178.07 1k0s n ASP 110 N -4.39 0.00 0.00 -0.43 2.03 -1.26 -1.60 116.55 110.90 1k0s n ASP 110 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1k0s n ASP 110 Cb 0.18 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1k0s n ASP 110 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k0s n LEU 111 N 0.00 0.00 -0.57 -2.67 -0.00 -1.26 -4.94 117.00 107.56 1k0s n LEU 111 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 1k0s n LEU 111 Cb 0.00 0.00 0.41 0.00 -0.00 0.00 0.00 43.42 43.83 1k0s n LEU 111 CO 0.00 0.00 0.80 1.07 -0.00 0.00 0.00 177.39 179.26 1k0s n THR 112 N 0.00 0.15 -3.00 1.47 5.66 -1.16 -4.98 114.28 112.42 1k0s n THR 112 Ca 0.00 -0.34 -0.07 0.00 -3.05 0.00 0.00 64.05 60.59 1k0s n THR 112 Cb 0.00 0.48 0.01 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.36 -7.67 -3.22 1.09 3.02 -0.63 -5.04 115.26 103.17 1k0s n ASN 113 Ca 0.17 0.23 -0.02 0.00 -0.03 0.00 0.00 54.58 54.93 1k0s n ASN 113 Cb 0.36 -5.04 -0.03 0.00 -0.61 0.00 0.00 39.78 34.45 1k0s n ASN 113 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k0s s VAL 114 N -2.70 -0.84 0.00 2.41 1.01 -1.19 -4.97 120.40 114.12 1k0s s VAL 114 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1k0s s VAL 114 Cb -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1k0s s VAL 114 CO 0.77 -0.09 0.00 -0.24 0.00 0.00 0.00 175.10 175.54 1k0s n SER 115 N 5.40 0.00 -2.91 3.32 2.88 -1.26 -4.68 113.62 116.37 1k0s n SER 115 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1k0s n SER 115 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1k0s n SER 115 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1k0s n ASP 116 N -0.80 -6.23 0.23 -3.46 5.75 -1.22 -4.86 116.55 105.97 1k0s n ASP 116 Ca 0.00 0.50 0.13 0.00 -0.01 0.00 0.00 54.79 55.40 1k0s n ASP 116 Cb 0.00 -1.42 0.30 0.00 -1.03 0.00 0.00 41.12 38.97 1k0s n ASP 116 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1k0s h LYS 117 N 3.73 0.00 0.31 0.11 1.79 0.59 -3.34 116.57 119.76 1k0s h LYS 117 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1k0s h LYS 117 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1k0s h LYS 117 CO 0.00 0.04 -0.15 0.35 -1.08 0.00 0.00 179.45 178.61 1k0s h PHE 118 N 0.00 -0.38 0.00 -1.35 3.57 -1.79 -3.34 116.94 113.64 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 0.89 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.76 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 0.71 -0.25 2.44 2.40 0.00 -1.25 -4.95 105.19 104.28 1k0s n GLY 119 Ca -0.05 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1k0s n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k0s n LYS 120 N 0.00 -2.51 0.00 1.61 5.02 -1.26 -4.93 118.16 116.09 1k0s n LYS 120 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1k0s n LYS 120 Cb 0.00 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1k0s n LYS 121 N -2.63 0.00 -0.16 1.97 4.81 -1.26 -5.15 118.16 115.74 1k0s n LYS 121 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1k0s n LYS 121 Cb 0.58 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.33 1k0s n LYS 121 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1k0s n SER 122 N -1.29 0.00 -0.21 3.14 3.41 -1.26 -3.76 113.62 113.65 1k0s n SER 122 Ca 0.00 -0.14 -0.05 0.00 -0.26 0.00 0.00 58.87 58.43 1k0s n SER 122 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.72 0.00 4.33 1.79 -1.85 -3.39 116.57 118.17 1k0s h LYS 123 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1k0s h LYS 123 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1k0s h LYS 123 CO 0.00 0.48 0.00 0.41 -1.08 0.00 0.00 179.45 179.26 1k0s n GLY 124 N -1.27 -0.53 3.77 3.86 0.00 0.44 0.11 105.19 111.57 1k0s n GLY 124 Ca 0.05 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 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 4.31 0.12 0.99 1.98 -1.26 -0.63 118.68 124.19 1k0s s LEU 125 Ca 0.00 2.48 0.05 0.00 -2.89 0.00 0.00 54.13 53.77 1k0s s LEU 125 Cb 0.00 -3.85 -0.04 0.00 0.66 0.00 0.00 46.19 42.96 1k0s s LEU 125 CO 0.00 -0.60 -0.11 0.54 -1.89 0.00 0.00 176.35 174.29 1k0s s VAL 126 N -1.28 1.13 -0.16 1.68 0.11 0.18 -4.72 120.40 117.34 1k0s s VAL 126 Ca 0.53 -1.83 -0.16 0.00 -2.93 0.00 0.00 61.98 57.58 1k0s s VAL 126 Cb -0.35 -1.60 0.04 0.00 -1.53 0.00 0.00 36.38 32.95 1k0s s VAL 126 CO 0.45 -0.60 0.46 -0.75 -3.33 0.00 0.00 175.10 171.32 1k0s s LYS 127 N -3.16 0.57 -0.18 1.54 2.20 -1.26 -0.87 119.74 118.58 1k0s s LYS 127 Ca 0.11 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.01 1k0s s LYS 127 Cb -0.01 0.27 0.12 0.00 -1.51 0.00 0.00 37.83 36.70 1k0s s LYS 127 CO 0.01 -0.08 0.96 0.99 -0.36 0.00 0.00 175.35 176.87 1k0s s THR 128 N 0.09 0.00 -1.38 3.43 2.01 -0.91 -4.86 115.64 114.02 1k0s s THR 128 Ca -0.01 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1k0s s THR 128 Cb -0.03 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.51 1k0s s THR 128 CO 0.01 0.00 1.04 -0.67 -0.69 0.00 0.00 174.62 174.31 1k0s n ASP 129 N 1.13 -4.60 -3.15 3.53 2.03 -1.26 -1.42 116.55 112.82 1k0s n ASP 129 Ca -0.12 -0.66 -0.21 0.00 0.52 0.00 0.00 54.79 54.33 1k0s n ASP 129 Cb 0.57 -4.59 0.00 0.00 -0.72 0.00 0.00 41.12 36.38 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 -1.73 -0.49 3.11 0.27 0.00 -1.26 -4.94 105.19 100.14 1k0s n GLY 130 Ca -0.07 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.79 0.70 0.07 1.61 1.70 -0.50 -5.14 118.95 111.60 1k0s s ARG 131 Ca 0.31 -0.78 -0.20 0.00 -0.47 0.00 0.00 55.73 54.59 1k0s s ARG 131 Cb -0.16 -0.61 -0.07 0.00 -0.57 0.00 0.00 34.95 33.54 1k0s s ARG 131 CO 0.38 0.14 0.59 -0.51 -1.08 0.00 0.00 175.30 174.82 1k0s s LEU 132 N -1.44 4.52 0.07 -1.89 1.43 -1.26 -2.15 118.68 117.96 1k0s s LEU 132 Ca -0.04 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 1k0s s LEU 132 Cb -0.09 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.23 1k0s s LEU 132 CO 0.01 0.25 0.37 -0.63 0.23 0.00 0.00 176.35 176.59 1k0s s ILE 133 N -1.02 0.07 -0.14 -0.59 1.01 -0.05 -2.15 121.20 118.34 1k0s s ILE 133 Ca 0.30 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1k0s s ILE 133 Cb -0.20 -1.03 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 1k0s s ILE 133 CO 0.19 -0.32 -0.19 -0.63 0.00 0.00 0.00 174.94 174.00 1k0s s ILE 134 N -2.95 2.43 0.06 2.92 1.01 0.20 0.50 121.20 125.36 1k0s s ILE 134 Ca -0.02 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.84 1k0s s ILE 134 Cb 0.00 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1k0s s ILE 134 CO -0.06 0.53 -0.18 -0.47 0.00 0.00 0.00 174.94 174.77 1k0s s TYR 135 N 0.65 2.56 0.01 3.97 5.04 0.20 0.64 117.35 130.42 1k0s s TYR 135 Ca -0.09 -0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 54.00 1k0s s TYR 135 Cb -0.16 -1.43 0.08 0.00 0.35 0.00 0.00 41.96 40.79 1k0s s TYR 135 CO 0.02 0.29 0.70 -0.48 -1.34 0.00 0.00 175.55 174.74 1k0s s LEU 136 N -1.64 -0.58 -0.14 6.97 -0.00 -0.59 -0.42 118.68 122.28 1k0s s LEU 136 Ca 0.16 0.40 -0.05 0.00 -0.00 0.00 0.00 54.13 54.64 1k0s s LEU 136 Cb -0.11 2.46 -0.04 0.00 -0.00 0.00 0.00 46.19 48.51 1k0s s LEU 136 CO 0.07 -0.71 0.03 1.51 -0.00 0.00 0.00 176.35 177.25 1k0s s ASP 137 N -1.79 5.39 0.00 1.48 1.47 -1.26 -2.36 116.67 119.59 1k0s s ASP 137 Ca -0.05 0.09 0.04 0.00 1.18 0.00 0.00 52.55 53.81 1k0s s ASP 137 Cb -0.00 -1.77 0.23 0.00 -0.34 0.00 0.00 42.92 41.03 1k0s s ASP 137 CO 0.00 0.26 0.62 0.00 0.68 0.00 0.00 175.17 176.73 1k0s n ILE 138 N 2.96 0.00 -0.03 2.11 3.06 -1.26 -3.19 119.36 123.01 1k0s n ILE 138 Ca -0.18 0.00 -0.15 0.00 -2.50 0.00 0.00 62.75 59.93 1k0s n ILE 138 Cb 0.53 -0.49 -0.11 0.00 0.54 0.00 0.00 39.64 40.11 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 0.21 0.53 9.51 1.82 -1.95 -1.35 116.42 125.18 1k0s h ASP 139 Ca 0.00 -0.73 -0.29 0.00 -0.39 0.00 0.00 57.03 55.62 1k0s h ASP 139 Cb 0.00 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1k0s h ASP 139 CO 0.00 0.91 -1.45 0.11 -1.61 0.00 0.00 179.24 177.20 1k0s h LYS 140 N -0.48 0.21 -0.25 0.28 6.56 -1.77 -2.49 116.57 118.63 1k0s h LYS 140 Ca -0.02 -0.37 -0.13 0.00 -1.06 0.00 0.00 60.65 59.08 1k0s h LYS 140 Cb 0.93 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.71 1k0s h LYS 140 CO 0.04 1.08 -0.37 0.97 -2.06 0.00 0.00 179.45 179.11 1k0s h ILE 141 N 0.06 1.29 -0.18 1.86 -0.00 -1.65 -2.48 117.51 116.42 1k0s h ILE 141 Ca -0.21 -1.51 -0.11 0.00 -0.00 0.00 0.00 64.86 63.03 1k0s h ILE 141 Cb 1.99 1.50 0.00 0.00 -0.00 0.00 0.00 36.82 40.30 1k0s h ILE 141 CO 0.16 0.48 -0.31 -0.29 -0.00 0.00 0.00 178.15 178.19 1k0s h ILE 142 N 0.48 1.34 -0.90 2.19 6.09 -1.33 -1.58 117.51 123.80 1k0s h ILE 142 Ca 0.05 -1.54 0.23 0.00 -1.37 0.00 0.00 64.86 62.22 1k0s h ILE 142 Cb 0.86 1.90 -0.13 0.00 0.47 0.00 0.00 36.82 39.92 1k0s h ILE 142 CO 0.07 0.47 0.39 -0.08 -3.07 0.00 0.00 178.15 175.93 1k0s h GLU 143 N 0.17 0.35 -0.16 2.19 4.81 -1.27 0.99 114.58 121.67 1k0s h GLU 143 Ca 0.01 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1k0s h GLU 143 Cb 0.90 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1k0s h GLU 143 CO 0.07 0.23 -0.54 0.93 -0.73 0.00 0.00 179.01 178.97 1k0s h GLU 144 N 0.36 0.48 -0.97 1.92 5.08 -1.28 -2.46 114.58 117.72 1k0s h GLU 144 Ca 0.58 -0.30 0.15 0.00 -1.00 0.00 0.00 59.36 58.79 1k0s h GLU 144 Cb 1.13 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 1k0s h GLU 144 CO -0.55 0.90 0.61 0.82 -1.00 0.00 0.00 179.01 179.78 1k0s h ILE 145 N 0.37 0.83 0.00 3.13 2.04 0.20 0.55 117.51 124.62 1k0s h ILE 145 Ca 0.01 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1k0s h ILE 145 Cb 1.06 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1k0s h ILE 145 CO 0.10 0.15 -0.08 0.71 0.00 0.00 0.00 178.15 179.02 1k0s h THR 146 N 0.81 1.66 0.00 -0.27 1.35 -1.22 -3.31 112.91 111.94 1k0s h THR 146 Ca 0.50 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1k0s h THR 146 Cb 0.70 3.17 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1k0s h THR 146 CO -0.27 0.56 0.00 0.55 -0.25 0.00 0.00 175.52 176.11 1k0s n VAL 147 N -4.61 0.00 -0.40 6.82 3.14 -0.93 -4.03 118.33 118.32 1k0s n VAL 147 Ca -0.11 0.00 0.34 0.00 -2.96 0.00 0.00 64.34 61.61 1k0s n VAL 147 Cb 0.47 -0.34 0.67 0.00 -1.06 0.00 0.00 33.84 33.58 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 0.13 -3.18 1.45 2.10 0.00 -3.39 116.57 113.69 1k0s h LYS 148 Ca 0.00 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.44 1k0s h LYS 148 Cb 0.00 -0.03 -0.28 0.00 -0.90 0.00 0.00 32.23 31.02 1k0s h LYS 148 CO 0.00 0.09 -0.51 -1.83 -2.00 0.00 0.00 179.45 175.20 1k0s s GLU 149 N -5.17 0.19 0.00 0.07 -1.05 -1.26 -5.03 118.70 106.46 1k0s s GLU 149 Ca -0.07 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1k0s s GLU 149 Cb 0.26 -0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1k0s s GLU 149 CO 0.82 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 177.34 1k0s n GLY 150 N 3.66 0.00 0.00 -3.83 0.00 -1.26 -5.09 105.19 98.67 1k0s n GLY 150 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70