#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 1.85 0.00 3.17 4.81 -1.26 -4.86 118.16 121.88 1k0s n LYS 2 Ca 0.00 -1.35 0.00 0.00 -0.87 0.00 0.00 58.31 56.09 1k0s n LYS 2 Cb 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1k0s n LYS 2 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1k0s n THR 3 N 1.18 0.00 0.06 3.15 -1.04 -1.26 -4.10 114.28 112.28 1k0s n THR 3 Ca 0.32 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.35 1k0s n THR 3 Cb 0.63 0.00 0.37 0.00 -1.82 0.00 0.00 70.33 69.51 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 0.35 -9.72 -4.42 8.10 -2.09 -3.43 115.31 104.10 1k0s h LEU 4 Ca 0.00 -0.06 -0.55 0.00 0.11 0.00 0.00 57.88 57.38 1k0s h LEU 4 Cb 0.00 -0.09 0.09 0.00 -0.44 0.00 0.00 40.66 40.21 1k0s h LEU 4 CO 0.00 0.43 0.77 0.00 -4.11 0.00 0.00 178.44 175.53 1k0s n ALA 5 N -2.49 2.01 -3.63 0.17 0.00 -1.26 -5.00 120.51 110.31 1k0s n ALA 5 Ca 0.01 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.73 1k0s n ALA 5 Cb 0.22 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.21 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 0.40 -0.86 0.17 0.00 1.01 -1.26 -4.80 116.67 111.33 1k0s s ASP 6 Ca 0.65 1.47 -0.34 0.00 0.71 0.00 0.00 52.55 55.04 1k0s s ASP 6 Cb -0.55 1.39 -0.14 0.00 1.01 0.00 0.00 42.92 44.63 1k0s s ASP 6 CO 0.49 -0.24 1.60 0.00 0.21 0.00 0.00 175.17 177.23 1k0s n ALA 7 N 3.73 1.61 -1.29 5.23 0.00 -1.26 -4.87 120.51 123.65 1k0s n ALA 7 Ca -0.18 0.44 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 1k0s n ALA 7 Cb 0.57 -2.38 0.01 0.00 0.00 0.00 0.00 19.45 17.65 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 3.49 6.77 -0.08 0.00 4.77 -1.26 -4.42 117.00 126.27 1k0s n LEU 8 Ca 0.17 -3.89 -0.07 0.00 -0.03 0.00 0.00 56.01 52.18 1k0s n LEU 8 Cb 0.30 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1k0s n LEU 8 CO 0.63 1.51 -0.54 1.17 -1.33 0.00 0.00 177.39 178.83 1k0s n LYS 9 N 0.27 0.47 -3.90 3.23 4.81 -1.26 -4.37 118.16 117.42 1k0s n LYS 9 Ca 0.44 0.29 -0.09 0.00 -0.87 0.00 0.00 58.31 58.08 1k0s n LYS 9 Cb 0.55 -1.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.09 1k0s n LYS 9 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1k0s s GLU 10 N -2.59 1.15 -0.23 1.64 2.02 -1.26 -4.25 118.70 115.18 1k0s s GLU 10 Ca -0.23 -1.08 -0.20 0.00 0.02 0.00 0.00 54.97 53.48 1k0s s GLU 10 Cb 0.03 0.40 0.06 0.00 0.10 0.00 0.00 34.13 34.72 1k0s s GLU 10 CO 0.34 -0.43 0.60 0.12 0.02 0.00 0.00 175.26 175.91 1k0s s PHE 11 N -3.93 -0.68 0.06 1.61 5.36 0.34 -4.78 117.98 115.95 1k0s s PHE 11 Ca 0.14 1.63 -0.20 0.00 -0.96 0.00 0.00 56.93 57.53 1k0s s PHE 11 Cb 0.03 0.26 -0.06 0.00 -0.34 0.00 0.00 43.02 42.90 1k0s s PHE 11 CO -0.02 -0.33 0.59 -1.83 -1.46 0.00 0.00 175.22 172.16 1k0s s GLU 12 N 0.46 4.25 0.22 10.12 -1.05 -1.25 0.50 118.70 131.95 1k0s s GLU 12 Ca -0.01 0.77 -0.17 0.00 -0.15 0.00 0.00 54.97 55.40 1k0s s GLU 12 Cb -0.04 -3.26 0.02 0.00 -0.44 0.00 0.00 34.13 30.40 1k0s s GLU 12 CO -0.01 0.57 0.56 0.54 0.95 0.00 0.00 175.26 177.87 1k0s s VAL 13 N -0.90 0.02 -0.03 1.83 0.11 0.21 -4.42 120.40 117.21 1k0s s VAL 13 Ca 0.30 -0.92 -0.21 0.00 -2.93 0.00 0.00 61.98 58.22 1k0s s VAL 13 Cb -0.19 -1.76 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 1k0s s VAL 13 CO 0.19 -0.07 0.60 -0.22 -3.33 0.00 0.00 175.10 172.27 1k0s s LEU 14 N -2.91 4.38 -0.01 2.54 1.98 -0.92 0.17 118.68 123.91 1k0s s LEU 14 Ca 0.12 1.12 -0.20 0.00 -2.89 0.00 0.00 54.13 52.28 1k0s s LEU 14 Cb -0.02 -2.92 0.04 0.00 0.66 0.00 0.00 46.19 43.95 1k0s s LEU 14 CO 0.01 0.05 0.43 -0.55 -1.89 0.00 0.00 176.35 174.41 1k0s s SER 15 N 0.08 -0.34 0.28 3.68 0.15 -0.51 -0.45 113.70 116.59 1k0s s SER 15 Ca 0.31 0.22 0.03 0.00 0.70 0.00 0.00 55.95 57.22 1k0s s SER 15 Cb -0.18 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1k0s s SER 15 CO 0.16 -0.55 0.19 0.72 1.20 0.00 0.00 173.24 174.96 1k0s s PHE 16 N -1.63 1.53 0.08 3.44 -0.71 0.15 0.12 117.98 120.96 1k0s s PHE 16 Ca -0.10 -1.48 -0.20 0.00 -1.04 0.00 0.00 56.93 54.10 1k0s s PHE 16 Cb -0.03 -0.72 -0.07 0.00 -1.21 0.00 0.00 43.02 40.99 1k0s s PHE 16 CO 0.04 -0.68 0.60 -2.00 -1.34 0.00 0.00 175.22 171.83 1k0s s GLU 17 N -3.78 4.25 -0.44 1.99 2.12 0.17 0.24 118.70 123.25 1k0s s GLU 17 Ca 0.38 0.79 0.06 0.00 0.36 0.00 0.00 54.97 56.56 1k0s s GLU 17 Cb 0.05 -3.25 0.20 0.00 0.26 0.00 0.00 34.13 31.39 1k0s s GLU 17 CO 0.20 0.62 0.53 -0.89 -0.54 0.00 0.00 175.26 175.18 1k0s n ILE 18 N 1.75 -0.68 -3.48 -3.70 2.08 0.24 -4.47 119.36 111.10 1k0s n ILE 18 Ca -0.10 -2.76 -0.18 0.00 0.56 0.00 0.00 62.75 60.27 1k0s n ILE 18 Cb 0.50 -0.74 0.07 0.00 -0.75 0.00 0.00 39.64 38.73 1k0s n ILE 18 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1k0s n ASP 19 N 2.41 -2.61 0.00 4.38 9.92 -1.26 -1.70 116.55 127.68 1k0s n ASP 19 Ca 0.23 -0.70 0.00 0.00 -0.53 0.00 0.00 54.79 53.79 1k0s n ASP 19 Cb 0.53 -4.81 0.00 0.00 -0.64 0.00 0.00 41.12 36.19 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 -4.03 0.00 -3.17 -1.24 1.02 -1.26 -4.85 120.64 107.11 1k0s n GLU 20 Ca -0.25 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.50 1k0s n GLU 20 Cb 0.66 -0.31 -0.05 0.00 -0.02 0.00 0.00 31.44 31.72 1k0s n GLU 20 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1k0s s GLN 21 N -0.13 4.39 -0.36 3.49 -1.52 -0.69 -4.53 119.66 120.30 1k0s s GLN 21 Ca 0.00 0.70 -0.22 0.00 -1.95 0.00 0.00 55.36 53.89 1k0s s GLN 21 Cb 0.00 -3.43 0.01 0.00 -0.22 0.00 0.00 33.01 29.37 1k0s s GLN 21 CO 0.00 0.14 0.73 0.00 -0.25 0.00 0.00 175.29 175.91 1k0s s ALA 22 N 0.61 3.43 0.02 6.09 0.00 0.10 0.82 121.76 132.84 1k0s s ALA 22 Ca 0.32 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1k0s s ALA 22 Cb -0.17 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 1k0s s ALA 22 CO 0.15 -1.45 0.59 -1.17 0.00 0.00 0.00 175.76 173.88 1k0s s LEU 23 N 2.97 4.45 -0.03 0.00 1.98 0.14 0.87 118.68 129.06 1k0s s LEU 23 Ca 0.29 1.20 -0.04 0.00 -2.89 0.00 0.00 54.13 52.69 1k0s s LEU 23 Cb -0.14 -2.92 0.01 0.00 0.66 0.00 0.00 46.19 43.80 1k0s s LEU 23 CO 0.16 0.16 0.11 0.00 -1.89 0.00 0.00 176.35 174.89 1k0s s ALA 24 N -0.49 -0.26 -0.02 5.97 0.00 0.30 0.34 121.76 127.61 1k0s s ALA 24 Ca 0.31 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1k0s s ALA 24 Cb -0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 1k0s s ALA 24 CO 0.18 -0.09 -0.11 -0.06 0.00 0.00 0.00 175.76 175.69 1k0s s PHE 25 N -0.28 1.02 -0.23 0.00 0.40 0.40 -1.50 117.98 117.80 1k0s s PHE 25 Ca -0.03 -0.22 -0.39 0.00 -0.60 0.00 0.00 56.93 55.68 1k0s s PHE 25 Cb -0.03 -0.68 -0.15 0.00 0.51 0.00 0.00 43.02 42.67 1k0s s PHE 25 CO 0.00 -0.05 1.74 -3.47 0.70 0.00 0.00 175.22 174.14 1k0s n ASP 26 N 2.99 2.52 0.17 1.36 -0.08 -1.00 -2.17 116.55 120.33 1k0s n ASP 26 Ca -0.15 1.06 0.10 0.00 -1.51 0.00 0.00 54.79 54.29 1k0s n ASP 26 Cb 0.55 -1.18 0.55 0.00 2.34 0.00 0.00 41.12 43.38 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 4.56 0.91 -0.10 5.18 0.24 -1.26 -1.04 118.33 126.82 1k0s n VAL 27 Ca 0.25 0.75 -0.01 0.00 -2.04 0.00 0.00 64.34 63.29 1k0s n VAL 27 Cb 0.16 -1.75 0.24 0.00 -1.47 0.00 0.00 33.84 31.02 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 0.69 0.03 -1.34 1.82 -1.91 -3.26 116.42 112.45 1k0s h ASP 28 Ca 0.00 -0.10 -0.37 0.00 -0.39 0.00 0.00 57.03 56.17 1k0s h ASP 28 Cb 0.15 -0.18 -0.05 0.00 0.68 0.00 0.00 39.33 39.93 1k0s h ASP 28 CO 0.00 0.66 -2.07 -3.20 -1.61 0.00 0.00 179.24 173.02 1k0s n ASN 29 N -4.31 1.97 -4.73 2.28 2.85 -0.21 -4.93 115.26 108.18 1k0s n ASN 29 Ca 0.04 0.24 -0.42 0.00 -0.11 0.00 0.00 54.58 54.33 1k0s n ASN 29 Cb 0.19 -0.79 -0.02 0.00 1.24 0.00 0.00 39.78 40.40 1k0s n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k0s s ILE 30 N -2.48 2.18 -0.07 -1.44 -1.09 -0.87 -1.67 121.20 115.75 1k0s s ILE 30 Ca -0.32 0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1k0s s ILE 30 Cb 0.09 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1k0s s ILE 30 CO 0.60 0.02 -0.08 -0.33 -1.23 0.00 0.00 174.94 173.92 1k0s h GLU 31 N 5.93 0.00 -2.23 2.79 5.08 -1.29 -3.45 114.58 121.41 1k0s h GLU 31 Ca -0.45 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1k0s h GLU 31 Cb 1.21 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.39 1k0s h GLU 31 CO 0.88 0.00 0.59 1.41 -1.00 0.00 0.00 179.01 180.89 1k0s s MET 32 N -1.60 1.06 -0.22 2.33 1.75 -1.18 -5.02 119.30 116.41 1k0s s MET 32 Ca -0.06 -0.63 -0.10 0.00 -1.25 0.00 0.00 55.69 53.65 1k0s s MET 32 Cb 0.01 0.34 -0.05 0.00 2.84 0.00 0.00 34.83 37.97 1k0s s MET 32 CO 0.09 -0.49 0.14 0.14 -0.65 0.00 0.00 175.02 174.26 1k0s s VAL 33 N -2.75 5.33 0.17 10.11 -7.23 -1.26 -0.67 120.40 124.10 1k0s s VAL 33 Ca 0.16 0.17 0.04 0.00 -1.81 0.00 0.00 61.98 60.54 1k0s s VAL 33 Cb -0.01 -3.46 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 1k0s s VAL 33 CO 0.02 0.38 0.19 0.27 -0.31 0.00 0.00 175.10 175.65 1k0s s ILE 34 N 0.81 4.75 0.48 -0.62 -4.36 0.23 -4.97 121.20 117.52 1k0s s ILE 34 Ca 0.07 -0.99 -0.03 0.00 -0.26 0.00 0.00 60.65 59.45 1k0s s ILE 34 Cb -0.13 -3.45 0.10 0.00 1.25 0.00 0.00 42.46 40.24 1k0s s ILE 34 CO 0.02 -0.13 0.65 -1.84 0.24 0.00 0.00 174.94 173.89 1k0s n GLU 35 N -0.50 -0.10 -3.25 0.37 0.28 -1.26 0.10 120.64 116.29 1k0s n GLU 35 Ca -0.08 -1.50 -0.38 0.00 -0.16 0.00 0.00 57.16 55.04 1k0s n GLU 35 Cb 0.55 -0.52 -0.06 0.00 1.43 0.00 0.00 31.44 32.84 1k0s n GLU 35 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1k0s s LYS 36 N -4.21 4.20 -0.03 3.44 -2.85 -1.26 -4.23 119.74 114.80 1k0s s LYS 36 Ca 0.41 0.75 -0.31 0.00 -1.00 0.00 0.00 55.97 55.82 1k0s s LYS 36 Cb -0.02 -3.16 0.12 0.00 -2.06 0.00 0.00 37.83 32.71 1k0s s LYS 36 CO 0.28 0.59 1.27 -1.54 0.10 0.00 0.00 175.35 176.05 1k0s s SER 37 N -1.25 -0.07 0.29 0.03 1.04 -1.26 -5.11 113.70 107.37 1k0s s SER 37 Ca 0.32 -0.12 -0.27 0.00 0.48 0.00 0.00 55.95 56.36 1k0s s SER 37 Cb -0.19 0.16 -0.15 0.00 0.10 0.00 0.00 66.02 65.95 1k0s s SER 37 CO 0.20 -0.30 0.78 -0.90 0.98 0.00 0.00 173.24 174.00 1k0s n ASP 38 N -0.44 0.17 -3.60 7.02 5.68 -1.26 -4.98 116.55 119.13 1k0s n ASP 38 Ca -0.08 1.11 -0.13 0.00 -0.50 0.00 0.00 54.79 55.20 1k0s n ASP 38 Cb 0.62 -1.16 -0.05 0.00 -1.14 0.00 0.00 41.12 39.39 1k0s n ASP 38 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1k0s s ILE 39 N -1.12 0.04 -0.87 2.12 1.01 -1.26 -5.07 121.20 116.05 1k0s s ILE 39 Ca 0.61 -0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.65 1k0s s ILE 39 Cb -0.74 -1.00 -0.19 0.00 0.01 0.00 0.00 42.46 40.53 1k0s s ILE 39 CO 0.58 -0.19 2.56 0.41 0.00 0.00 0.00 174.94 178.31 1k0s n THR 40 N 0.30 -0.02 -0.11 2.92 -1.04 -0.85 -4.78 114.28 110.69 1k0s n THR 40 Ca -0.18 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.37 1k0s n THR 40 Cb 0.61 -1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 67.98 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 8.32 0.55 0.04 -2.82 -0.04 -1.26 -3.57 135.00 136.21 1k0s n PRO 41 Ca 0.58 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 64.27 1k0s n PRO 41 Cb 0.18 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 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 1.09 -0.09 0.52 2.07 -1.93 -3.29 116.25 113.62 1k0s h VAL 42 Ca -0.35 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1k0s h VAL 42 Cb 1.24 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 1k0s h VAL 42 CO -0.21 0.11 -0.50 -0.65 0.02 0.00 0.00 177.57 176.33 1k0s h PRO 43 N -0.23 -0.56 0.00 1.57 0.11 -1.98 -3.43 132.00 127.49 1k0s h PRO 43 Ca -0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1k0s h PRO 43 Cb 0.21 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1k0s h PRO 43 CO 0.01 -0.37 0.00 1.17 -0.21 0.00 0.00 178.00 178.59 1k0s n LYS 44 N -5.45 0.00 -1.37 1.05 0.00 -1.24 -4.88 118.16 106.27 1k0s n LYS 44 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.32 1k0s n LYS 44 Cb 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.38 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 0.79 -6.46 0.00 3.14 2.88 -1.26 -4.72 113.62 107.99 1k0s n SER 45 Ca 0.00 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1k0s n SER 45 Cb 0.00 -4.34 0.00 0.00 -0.75 0.00 0.00 64.21 59.12 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 -3.24 0.00 -2.79 -1.46 3.00 -1.26 -4.25 116.66 106.66 1k0s n ARG 46 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.71 1k0s n ARG 46 Cb 0.46 -0.02 0.05 0.00 0.00 0.00 0.00 32.46 32.95 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 -0.04 -1.24 0.00 -1.55 8.25 -1.26 -4.38 115.22 115.00 1k0s n HIS 47 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1k0s n HIS 47 Cb 0.00 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 27.38 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 -2.75 -0.34 -2.22 4.41 7.35 -1.26 -4.96 117.46 117.69 1k0s n PHE 48 Ca -0.16 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.11 1k0s n PHE 48 Cb 0.59 0.07 -0.03 0.00 0.35 0.00 0.00 39.48 40.46 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 -1.35 3.51 0.13 -2.13 1.01 -1.26 -4.66 120.40 115.65 1k0s s VAL 49 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 1k0s s VAL 49 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1k0s s VAL 49 CO 0.00 0.06 1.47 1.05 0.00 0.00 0.00 175.10 177.68 1k0s h GLU 50 N 7.06 0.88 0.00 2.72 4.11 -1.77 -3.44 114.58 124.14 1k0s h GLU 50 Ca -0.41 -0.46 0.06 0.00 0.07 0.00 0.00 59.36 58.62 1k0s h GLU 50 Cb 1.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1k0s h GLU 50 CO 0.87 1.11 0.30 0.41 0.07 0.00 0.00 179.01 181.76 1k0s n GLY 51 N 0.12 1.03 3.66 1.06 0.00 -0.97 -4.71 105.19 105.39 1k0s n GLY 51 Ca -0.02 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.32 0.01 -0.13 1.61 -7.23 -1.23 0.29 120.40 111.39 1k0s s VAL 52 Ca 0.13 -1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 58.95 1k0s s VAL 52 Cb -0.02 -2.01 0.05 0.00 0.56 0.00 0.00 36.38 34.96 1k0s s VAL 52 CO 0.05 -0.03 0.51 0.27 -0.31 0.00 0.00 175.10 175.58 1k0s s ILE 53 N -3.96 0.01 0.04 -0.62 -4.36 -0.72 -2.00 121.20 109.60 1k0s s ILE 53 Ca 0.16 -0.10 -0.20 0.00 -0.26 0.00 0.00 60.65 60.24 1k0s s ILE 53 Cb -0.02 -0.76 -0.06 0.00 1.25 0.00 0.00 42.46 42.87 1k0s s ILE 53 CO 0.06 -0.06 0.59 0.21 0.24 0.00 0.00 174.94 175.98 1k0s s ASN 54 N -0.36 7.04 -0.29 4.36 2.47 -1.26 0.25 114.94 127.15 1k0s s ASN 54 Ca -0.05 1.24 -0.22 0.00 0.42 0.00 0.00 52.86 54.25 1k0s s ASN 54 Cb -0.03 -2.37 0.13 0.00 -1.45 0.00 0.00 41.25 37.53 1k0s s ASN 54 CO 0.03 0.19 1.04 -0.22 -3.72 0.00 0.00 177.10 174.42 1k0s s LEU 55 N -0.69 -0.44 -1.42 3.21 2.96 -0.26 -4.94 118.68 117.09 1k0s s LEU 55 Ca 0.30 0.80 -0.06 0.00 -0.22 0.00 0.00 54.13 54.96 1k0s s LEU 55 Cb -0.19 1.79 0.04 0.00 0.50 0.00 0.00 46.19 48.32 1k0s s LEU 55 CO 0.19 -0.13 0.76 0.54 -1.32 0.00 0.00 176.35 176.38 1k0s n ARG 56 N 2.67 -4.79 -3.16 1.98 5.12 -1.26 -1.04 116.66 116.18 1k0s n ARG 56 Ca -0.14 0.57 -0.23 0.00 -1.93 0.00 0.00 57.85 56.12 1k0s n ARG 56 Cb 0.56 -5.18 0.02 0.00 -1.16 0.00 0.00 32.46 26.70 1k0s n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k0s n GLY 57 N -1.67 -0.51 3.64 -0.13 0.00 -1.26 -4.96 105.19 100.30 1k0s n GLY 57 Ca -0.16 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.83 0.65 -0.18 1.61 0.52 -0.21 -5.14 118.95 110.37 1k0s s ARG 58 Ca 0.34 1.22 -0.21 0.00 -0.52 0.00 0.00 55.73 56.57 1k0s s ARG 58 Cb -0.16 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1k0s s ARG 58 CO 0.42 -0.15 0.63 0.42 0.02 0.00 0.00 175.30 176.64 1k0s s ILE 59 N 1.86 5.03 -0.21 1.52 1.09 -1.26 -1.10 121.20 128.13 1k0s s ILE 59 Ca -0.09 1.20 -0.14 0.00 -1.10 0.00 0.00 60.65 60.51 1k0s s ILE 59 Cb -0.06 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 1k0s s ILE 59 CO -0.19 0.13 0.34 0.27 -0.10 0.00 0.00 174.94 175.39 1k0s s ILE 60 N 1.75 5.24 -0.33 2.92 -4.36 0.14 -4.84 121.20 121.72 1k0s s ILE 60 Ca 0.29 0.57 -0.27 0.00 -0.26 0.00 0.00 60.65 60.98 1k0s s ILE 60 Cb -0.16 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 39.90 1k0s s ILE 60 CO 0.11 0.27 0.97 -2.16 0.24 0.00 0.00 174.94 174.37 1k0s s PRO 61 N 1.28 3.98 -0.03 0.37 0.04 -1.21 -1.76 135.00 137.67 1k0s s PRO 61 Ca 0.16 0.83 -0.21 0.00 0.04 0.00 0.00 61.00 61.82 1k0s s PRO 61 Cb -0.14 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 1k0s s PRO 61 CO 0.07 -0.87 0.59 0.14 0.04 0.00 0.00 177.00 176.97 1k0s s VAL 62 N 3.47 4.98 0.06 -0.36 -7.23 0.15 -1.31 120.40 120.15 1k0s s VAL 62 Ca 0.41 1.23 -0.07 0.00 -1.81 0.00 0.00 61.98 61.74 1k0s s VAL 62 Cb -0.12 -3.93 -0.01 0.00 0.56 0.00 0.00 36.38 32.88 1k0s s VAL 62 CO 0.16 0.38 0.14 -0.69 -0.31 0.00 0.00 175.10 174.77 1k0s s VAL 63 N 0.10 0.15 -1.38 1.32 1.01 -0.74 -2.12 120.40 118.74 1k0s s VAL 63 Ca 0.31 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 1k0s s VAL 63 Cb -0.18 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1k0s s VAL 63 CO 0.16 -0.66 2.37 0.59 0.00 0.00 0.00 175.10 177.57 1k0s n ASN 64 N 0.30 5.04 -0.02 3.32 4.13 -1.26 -2.08 115.26 124.69 1k0s n ASN 64 Ca -0.17 -2.71 0.22 0.00 1.68 0.00 0.00 54.58 53.60 1k0s n ASN 64 Cb 0.61 -1.52 0.71 0.00 -1.54 0.00 0.00 39.78 38.03 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 9.60 0.00 -1.83 3.41 6.46 -1.85 0.64 115.31 131.74 1k0s h LEU 65 Ca 0.63 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.36 1k0s h LEU 65 Cb 0.52 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1k0s h LEU 65 CO 1.84 0.00 -0.14 0.00 -0.62 0.00 0.00 178.44 179.52 1k0s h ALA 66 N 1.67 1.35 0.02 1.25 0.00 -1.84 -0.59 119.26 121.13 1k0s h ALA 66 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k0s h ALA 66 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1k0s h ALA 66 CO -0.00 0.18 -0.01 -0.22 0.00 0.00 0.00 179.25 179.19 1k0s h LYS 67 N 0.00 -0.03 -0.99 0.00 3.64 0.07 1.24 116.57 120.50 1k0s h LYS 67 Ca -0.00 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1k0s h LYS 67 Cb 0.35 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1k0s h LYS 67 CO 0.02 0.69 0.62 0.97 -2.27 0.00 0.00 179.45 179.47 1k0s h ILE 68 N -0.93 0.87 -0.01 2.00 2.10 -1.27 0.41 117.51 120.69 1k0s h ILE 68 Ca -0.00 -0.32 -0.13 0.00 1.08 0.00 0.00 64.86 65.48 1k0s h ILE 68 Cb 0.73 -0.14 0.01 0.00 -1.09 0.00 0.00 36.82 36.32 1k0s h ILE 68 CO 0.01 0.17 -0.51 0.25 -1.08 0.00 0.00 178.15 176.98 1k0s h LEU 69 N 0.93 0.46 0.00 2.19 7.12 -1.17 -3.50 115.31 121.34 1k0s h LEU 69 Ca 0.51 -0.76 0.00 0.00 0.13 0.00 0.00 57.88 57.76 1k0s h LEU 69 Cb 0.58 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1k0s h LEU 69 CO -0.29 1.16 0.00 0.61 -0.13 0.00 0.00 178.44 179.79 1k0s n GLY 70 N 1.04 1.41 0.93 3.75 0.00 0.43 -5.06 105.19 107.69 1k0s n GLY 70 Ca -0.10 -0.78 0.08 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 -0.22 -0.35 -0.61 -5.35 -1.25 -4.02 119.36 107.55 1k0s n ILE 71 Ca 0.00 0.33 0.26 0.00 -0.27 0.00 0.00 62.75 63.06 1k0s n ILE 71 Cb 0.00 -0.54 0.53 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.19 0.42 -0.31 7.28 0.02 -1.88 -3.43 113.55 114.46 1k0s h SER 72 Ca -0.07 0.11 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1k0s h SER 72 Cb 0.89 0.05 0.03 0.00 0.14 0.00 0.00 62.40 63.52 1k0s h SER 72 CO 0.03 0.01 -0.16 0.33 -1.14 0.00 0.00 176.83 175.89 1k0s n PHE 73 N -4.69 -0.16 -2.31 3.45 7.35 -1.26 -4.92 117.46 114.93 1k0s n PHE 73 Ca 0.29 0.29 -0.05 0.00 -0.76 0.00 0.00 57.45 57.22 1k0s n PHE 73 Cb 1.00 -0.60 0.02 0.00 0.35 0.00 0.00 39.48 40.26 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 0.61 -1.20 -3.82 -2.13 2.03 -1.26 -4.95 116.55 105.83 1k0s n ASP 74 Ca 0.05 -2.08 -0.25 0.00 0.52 0.00 0.00 54.79 53.04 1k0s n ASP 74 Cb 0.08 0.47 0.02 0.00 -0.72 0.00 0.00 41.12 40.97 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 -4.74 -0.12 -0.67 1.02 -1.26 -4.92 120.64 109.22 1k0s n GLU 75 Ca -0.23 0.57 -0.26 0.00 -0.02 0.00 0.00 57.16 57.22 1k0s n GLU 75 Cb 0.78 -5.15 -0.11 0.00 -0.02 0.00 0.00 31.44 26.94 1k0s n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k0s n GLN 76 N -4.41 0.61 -0.03 3.49 10.64 -1.26 -4.75 117.38 121.67 1k0s n GLN 76 Ca -0.20 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1k0s n GLN 76 Cb 0.63 -1.55 -0.09 0.00 -0.86 0.00 0.00 30.24 28.37 1k0s n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1k0s n LYS 77 N -4.01 1.30 -1.06 2.61 4.76 -1.26 -5.05 118.16 115.44 1k0s n LYS 77 Ca -0.48 -0.06 -0.35 0.00 -2.87 0.00 0.00 58.31 54.55 1k0s n LYS 77 Cb 0.89 -1.29 -0.01 0.00 -1.84 0.00 0.00 35.03 32.78 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 -2.17 0.00 0.00 1.97 2.81 -1.26 -4.61 117.12 113.85 1k0s n MET 78 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1k0s n MET 78 Cb 0.60 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 32.31 1k0s n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1k0s n LYS 79 N 0.99 0.00 -3.27 0.03 5.02 0.23 -4.79 118.16 116.37 1k0s n LYS 79 Ca 0.11 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.03 1k0s n LYS 79 Cb 0.28 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.51 6.97 0.25 4.39 0.01 0.14 -4.13 113.70 119.83 1k0s s SER 80 Ca 0.00 1.23 0.05 0.00 1.31 0.00 0.00 55.95 58.54 1k0s s SER 80 Cb 0.00 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1k0s s SER 80 CO 0.00 0.16 0.35 -0.63 0.41 0.00 0.00 173.24 173.53 1k0s s ILE 81 N -1.33 5.05 0.22 1.44 1.01 0.12 0.30 121.20 128.01 1k0s s ILE 81 Ca 0.35 -1.04 0.10 0.00 0.00 0.00 0.00 60.65 60.06 1k0s s ILE 81 Cb -0.17 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1k0s s ILE 81 CO 0.20 -0.31 -0.18 -0.63 0.00 0.00 0.00 174.94 174.01 1k0s s ILE 82 N -2.02 2.04 0.07 2.92 1.01 0.25 0.74 121.20 126.22 1k0s s ILE 82 Ca 0.35 -2.21 0.05 0.00 0.00 0.00 0.00 60.65 58.83 1k0s s ILE 82 Cb -0.09 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1k0s s ILE 82 CO 0.29 -0.45 -0.13 -0.69 0.00 0.00 0.00 174.94 173.96 1k0s s VAL 83 N -2.56 1.02 0.29 2.92 1.01 0.15 -1.57 120.40 121.65 1k0s s VAL 83 Ca 0.24 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 1k0s s VAL 83 Cb -0.04 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1k0s s VAL 83 CO 0.10 -0.29 0.62 0.00 0.00 0.00 0.00 175.10 175.53 1k0s s ALA 84 N -1.45 -0.66 -0.07 5.51 0.00 0.29 -0.90 121.76 124.49 1k0s s ALA 84 Ca -0.02 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1k0s s ALA 84 Cb -0.09 0.93 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1k0s s ALA 84 CO 0.02 -0.95 -0.13 -0.98 0.00 0.00 0.00 175.76 173.73 1k0s s ARG 85 N -3.68 1.77 -0.22 0.00 1.70 -0.67 0.36 118.95 118.21 1k0s s ARG 85 Ca 0.17 -0.43 -0.03 0.00 -0.47 0.00 0.00 55.73 54.97 1k0s s ARG 85 Cb -0.04 -1.48 0.10 0.00 -0.57 0.00 0.00 34.95 32.96 1k0s s ARG 85 CO 0.09 0.01 0.24 0.95 -1.08 0.00 0.00 175.30 175.51 1k0s s THR 86 N 0.74 -0.34 -1.16 4.99 -4.23 0.36 -4.79 115.64 111.22 1k0s s THR 86 Ca -0.13 -0.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.94 1k0s s THR 86 Cb -0.16 -0.74 0.01 0.00 1.34 0.00 0.00 72.50 72.95 1k0s s THR 86 CO 0.03 -0.26 0.77 1.17 -0.54 0.00 0.00 174.62 175.79 1k0s n LYS 87 N 5.32 -0.96 -2.72 3.99 3.00 -1.26 -0.38 118.16 125.15 1k0s n LYS 87 Ca -0.05 0.35 -0.21 0.00 -0.00 0.00 0.00 58.31 58.40 1k0s n LYS 87 Cb 0.49 -3.70 0.01 0.00 0.00 0.00 0.00 35.03 31.83 1k0s n LYS 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1k0s n ASP 88 N -2.53 -5.87 -3.87 3.14 5.68 -1.26 -4.97 116.55 106.87 1k0s n ASP 88 Ca -0.10 -0.14 -0.29 0.00 -0.50 0.00 0.00 54.79 53.76 1k0s n ASP 88 Cb 0.58 -4.82 -0.16 0.00 -1.14 0.00 0.00 41.12 35.59 1k0s n ASP 88 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1k0s s VAL 89 N -3.08 1.21 -0.72 2.12 1.01 0.49 -5.06 120.40 116.36 1k0s s VAL 89 Ca 0.15 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1k0s s VAL 89 Cb -0.07 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.82 1k0s s VAL 89 CO 0.19 -0.17 1.00 -1.61 0.00 0.00 0.00 175.10 174.51 1k0s s GLU 90 N 1.54 3.22 0.31 2.72 2.02 -1.25 0.14 118.70 127.39 1k0s s GLU 90 Ca -0.03 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 53.82 1k0s s GLU 90 Cb -0.18 -4.40 -0.07 0.00 0.10 0.00 0.00 34.13 29.58 1k0s s GLU 90 CO -0.08 -1.81 0.66 0.08 0.02 0.00 0.00 175.26 174.13 1k0s s VAL 91 N 3.79 4.84 0.08 2.63 1.01 0.16 -3.32 120.40 129.59 1k0s s VAL 91 Ca 0.25 0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.86 1k0s s VAL 91 Cb -0.14 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1k0s s VAL 91 CO 0.06 -0.28 -0.19 -0.83 0.00 0.00 0.00 175.10 173.86 1k0s s GLY 92 N -2.72 1.09 -0.04 4.51 0.00 -0.43 0.11 107.32 109.85 1k0s s GLY 92 Ca 0.50 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1k0s s GLY 92 CO 0.25 -1.10 0.03 -0.12 0.00 0.00 0.00 173.10 172.16 1k0s s PHE 93 N -1.07 0.21 -0.09 1.90 5.36 -0.61 -1.79 117.98 121.90 1k0s s PHE 93 Ca 0.05 0.10 -0.21 0.00 -0.96 0.00 0.00 56.93 55.90 1k0s s PHE 93 Cb -0.09 -0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 42.09 1k0s s PHE 93 CO 0.03 -0.17 0.61 -1.17 -1.46 0.00 0.00 175.22 173.06 1k0s s LEU 94 N 1.60 4.30 0.00 6.12 2.96 -0.88 0.87 118.68 133.65 1k0s s LEU 94 Ca -0.02 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1k0s s LEU 94 Cb -0.13 -2.93 -0.01 0.00 0.50 0.00 0.00 46.19 43.62 1k0s s LEU 94 CO -0.03 -0.07 0.20 1.33 -1.32 0.00 0.00 176.35 176.46 1k0s n VAL 95 N 3.72 0.00 -0.02 1.68 0.24 0.15 -4.68 118.33 119.42 1k0s n VAL 95 Ca -0.04 -1.15 -0.04 0.00 -2.04 0.00 0.00 64.34 61.08 1k0s n VAL 95 Cb 0.51 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 33.49 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 -2.12 1.11 -4.12 -1.34 2.03 -1.26 0.76 116.55 111.61 1k0s n ASP 96 Ca 0.03 0.17 -0.33 0.00 0.52 0.00 0.00 54.79 55.18 1k0s n ASP 96 Cb 0.32 -0.48 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 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 -2.07 2.86 -0.26 -0.67 6.06 -1.26 -4.18 118.95 119.44 1k0s s ARG 97 Ca -0.12 -0.92 -0.04 0.00 -2.50 0.00 0.00 55.73 52.16 1k0s s ARG 97 Cb 0.02 -2.67 0.02 0.00 0.06 0.00 0.00 34.95 32.37 1k0s s ARG 97 CO 0.17 -0.29 -0.01 0.54 -2.50 0.00 0.00 175.30 173.22 1k0s s VAL 98 N 1.27 3.30 0.38 7.11 0.11 -1.26 0.41 120.40 131.71 1k0s s VAL 98 Ca 0.02 -0.87 0.11 0.00 -2.93 0.00 0.00 61.98 58.31 1k0s s VAL 98 Cb -0.15 -2.67 0.12 0.00 -1.53 0.00 0.00 36.38 32.15 1k0s s VAL 98 CO -0.11 0.17 1.87 -0.07 -3.33 0.00 0.00 175.10 173.63 1k0s h LEU 99 N 8.10 0.13 0.00 2.54 -0.00 0.55 -3.47 115.31 123.15 1k0s h LEU 99 Ca -0.33 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1k0s h LEU 99 Cb 1.12 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1k0s h LEU 99 CO 0.59 0.39 0.00 0.61 -0.00 0.00 0.00 178.44 180.02 1k0s n GLY 100 N -0.67 1.22 3.65 0.83 0.00 -0.41 -4.89 105.19 104.91 1k0s n GLY 100 Ca -0.01 -0.80 -0.48 0.00 0.00 0.00 0.00 46.02 44.73 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 0.02 -4.39 1.61 0.31 -1.25 -1.43 118.33 113.20 1k0s n VAL 101 Ca 0.00 -0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1k0s n VAL 101 Cb 0.00 -1.32 -0.15 0.00 -0.91 0.00 0.00 33.84 31.46 1k0s n VAL 101 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1k0s s LEU 102 N 0.88 1.96 -1.29 7.52 2.96 0.44 -4.84 118.68 126.31 1k0s s LEU 102 Ca 0.81 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 54.45 1k0s s LEU 102 Cb -0.77 -0.50 0.16 0.00 0.50 0.00 0.00 46.19 45.58 1k0s s LEU 102 CO 0.41 0.10 1.90 -2.11 -1.32 0.00 0.00 176.35 175.33 1k0s n ARG 103 N 2.97 3.57 -3.17 1.98 0.00 -1.26 -0.62 116.66 120.12 1k0s n ARG 103 Ca -0.15 -3.47 -0.39 0.00 -0.00 0.00 0.00 57.85 53.84 1k0s n ARG 103 Cb 0.56 -2.95 -0.05 0.00 -0.00 0.00 0.00 32.46 30.02 1k0s n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1k0s s ILE 104 N 0.57 5.08 0.49 8.89 -1.09 0.18 -4.78 121.20 130.53 1k0s s ILE 104 Ca 0.40 1.23 -0.03 0.00 -2.23 0.00 0.00 60.65 60.02 1k0s s ILE 104 Cb 0.10 -3.94 0.10 0.00 -1.58 0.00 0.00 42.46 37.14 1k0s s ILE 104 CO -0.00 0.31 0.66 0.35 -1.23 0.00 0.00 174.94 175.03 1k0s n THR 105 N 3.56 0.00 -3.05 2.92 -2.24 -1.26 0.12 114.28 114.32 1k0s n THR 105 Ca -0.04 -0.85 -0.18 0.00 -2.27 0.00 0.00 64.05 60.71 1k0s n THR 105 Cb 0.51 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.29 0.61 -0.83 -0.78 2.13 -1.26 -4.70 120.64 113.52 1k0s n GLU 106 Ca 0.10 -2.66 0.05 0.00 0.66 0.00 0.00 57.16 55.31 1k0s n GLU 106 Cb 0.36 -1.40 0.36 0.00 0.27 0.00 0.00 31.44 31.03 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 1.92 5.20 0.00 4.31 5.03 -1.26 -4.40 115.26 126.06 1k0s n ASN 107 Ca 0.19 -3.01 0.00 0.00 0.87 0.00 0.00 54.58 52.63 1k0s n ASN 107 Cb 0.55 -0.67 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 0.24 0.00 0.00 3.52 10.64 -1.26 -5.04 117.38 125.48 1k0s n GLN 108 Ca 0.29 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 1k0s n GLN 108 Cb 1.17 -0.56 0.00 0.00 -0.86 0.00 0.00 30.24 29.99 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 -2.64 0.00 0.00 2.61 4.77 -1.26 -1.90 117.00 118.58 1k0s n LEU 109 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1k0s n LEU 109 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1k0s n LEU 109 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1k0s n ASP 110 N 0.00 0.00 -0.09 -1.43 2.03 -1.26 -3.52 116.55 112.28 1k0s n ASP 110 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1k0s n ASP 110 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1k0s n ASP 110 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1k0s h LEU 111 N 0.00 0.61 -1.78 -2.67 3.38 -1.99 -2.98 115.31 109.87 1k0s h LEU 111 Ca 0.00 -0.43 0.32 0.00 0.09 0.00 0.00 57.88 57.86 1k0s h LEU 111 Cb 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1k0s h LEU 111 CO 0.00 0.91 0.79 0.00 0.09 0.00 0.00 178.44 180.22 1k0s h THR 112 N 0.32 0.44 -6.68 0.22 1.03 -1.83 -3.45 112.91 102.96 1k0s h THR 112 Ca 0.06 -0.04 -0.54 0.00 -0.01 0.00 0.00 66.41 65.87 1k0s h THR 112 Cb 0.69 0.30 -0.05 0.00 -1.07 0.00 0.00 68.15 68.03 1k0s h THR 112 CO 0.05 0.02 -0.95 -0.46 -0.01 0.00 0.00 175.52 174.17 1k0s n ASN 113 N -4.34 -2.15 -3.31 0.00 0.23 -1.13 -4.74 115.26 99.82 1k0s n ASN 113 Ca 0.26 -1.15 -0.27 0.00 -0.53 0.00 0.00 54.58 52.89 1k0s n ASN 113 Cb 1.13 -2.44 -0.03 0.00 -2.08 0.00 0.00 39.78 36.36 1k0s n ASN 113 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1k0s n VAL 114 N -4.57 1.78 0.34 3.53 0.31 -0.80 -4.55 118.33 114.36 1k0s n VAL 114 Ca -0.21 -1.22 0.08 0.00 -0.01 0.00 0.00 64.34 62.98 1k0s n VAL 114 Cb 0.64 -2.10 0.37 0.00 -0.91 0.00 0.00 33.84 31.83 1k0s n VAL 114 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k0s n SER 115 N 5.63 0.32 -0.40 4.52 2.88 -1.26 -2.93 113.62 122.38 1k0s n SER 115 Ca 0.40 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1k0s n SER 115 Cb 0.22 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1k0s n SER 115 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k0s n ASP 116 N -1.88 0.75 0.00 -3.46 9.92 -1.26 -4.42 116.55 116.20 1k0s n ASP 116 Ca 0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1k0s n ASP 116 Cb 0.15 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1k0s n ASP 116 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1k0s n LYS 117 N -0.08 0.00 0.20 -1.24 4.76 -1.15 -4.59 118.16 116.06 1k0s n LYS 117 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 1k0s n LYS 117 Cb 0.19 -0.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.77 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 -0.54 0.00 2.13 3.04 -1.79 -3.46 116.94 116.32 1k0s h PHE 118 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1k0s h PHE 118 Cb 0.00 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1k0s h PHE 118 CO 0.00 -0.28 0.00 0.41 -2.02 0.00 0.00 178.31 176.42 1k0s n GLY 119 N 0.17 0.22 2.27 2.40 0.00 -1.22 -4.93 105.19 104.09 1k0s n GLY 119 Ca -0.08 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 3.45 0.00 1.61 4.81 -1.26 -3.35 118.16 123.42 1k0s n LYS 120 Ca 0.00 -2.06 0.00 0.00 -0.87 0.00 0.00 58.31 55.38 1k0s n LYS 120 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.40 1k0s n LYS 120 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1k0s n LYS 121 N 3.30 0.00 0.00 1.64 3.00 -1.26 -5.01 118.16 119.82 1k0s n LYS 121 Ca 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 1k0s n LYS 121 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.38 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 -1.46 0.00 -1.78 3.14 3.41 -1.21 0.23 113.62 115.95 1k0s n SER 122 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1k0s n SER 122 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1k0s n SER 122 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1k0s n LYS 123 N 0.00 0.23 -2.24 4.33 0.00 -1.26 -3.39 118.16 115.82 1k0s n LYS 123 Ca 0.00 -0.25 -0.24 0.00 -0.00 0.00 0.00 58.31 57.82 1k0s n LYS 123 Cb 0.00 0.06 0.01 0.00 -0.00 0.00 0.00 35.03 35.11 1k0s n LYS 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1k0s n GLY 124 N -0.28 6.01 3.72 2.58 0.00 0.12 -4.55 105.19 112.78 1k0s n GLY 124 Ca -0.05 -2.63 -0.42 0.00 0.00 0.00 0.00 46.02 42.92 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 -3.57 4.37 0.12 0.99 1.98 -1.24 0.34 118.68 121.66 1k0s s LEU 125 Ca 0.49 2.70 -0.05 0.00 -2.89 0.00 0.00 54.13 54.37 1k0s s LEU 125 Cb 0.40 -3.60 -0.02 0.00 0.66 0.00 0.00 46.19 43.64 1k0s s LEU 125 CO -0.05 -0.87 0.15 0.54 -1.89 0.00 0.00 176.35 174.22 1k0s s VAL 126 N 1.12 0.12 -0.24 1.68 0.11 0.54 -4.86 120.40 118.87 1k0s s VAL 126 Ca 0.71 -1.55 -0.26 0.00 -2.93 0.00 0.00 61.98 57.95 1k0s s VAL 126 Cb -0.46 -1.72 0.10 0.00 -1.53 0.00 0.00 36.38 32.77 1k0s s VAL 126 CO 0.32 -0.55 0.87 -1.59 -3.33 0.00 0.00 175.10 170.83 1k0s s LYS 127 N -3.96 0.70 -0.13 1.54 -2.85 -1.26 0.52 119.74 114.30 1k0s s LYS 127 Ca 0.14 0.65 -0.30 0.00 -1.00 0.00 0.00 55.97 55.47 1k0s s LYS 127 Cb 0.06 0.34 0.10 0.00 -2.06 0.00 0.00 37.83 36.27 1k0s s LYS 127 CO -0.04 -0.12 0.86 0.99 0.10 0.00 0.00 175.35 177.14 1k0s s THR 128 N -0.03 0.00 -1.33 3.79 2.01 0.54 -4.95 115.64 115.67 1k0s s THR 128 Ca -0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1k0s s THR 128 Cb -0.04 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1k0s s THR 128 CO -0.01 0.00 0.83 0.47 -0.69 0.00 0.00 174.62 175.22 1k0s n ASP 129 N 1.02 -2.26 -2.97 3.53 9.92 -1.26 -1.17 116.55 123.36 1k0s n ASP 129 Ca -0.14 -0.76 -0.20 0.00 -0.53 0.00 0.00 54.79 53.16 1k0s n ASP 129 Cb 0.57 -4.29 0.00 0.00 -0.64 0.00 0.00 41.12 36.77 1k0s n ASP 129 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1k0s n GLY 130 N -1.55 -0.50 2.82 0.44 0.00 -1.26 -4.95 105.19 100.20 1k0s n GLY 130 Ca -0.22 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.61 0.29 0.07 1.61 1.70 -0.32 -5.14 118.95 111.56 1k0s s ARG 131 Ca 0.24 0.07 -0.20 0.00 -0.47 0.00 0.00 55.73 55.37 1k0s s ARG 131 Cb -0.12 -0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 33.73 1k0s s ARG 131 CO 0.30 -0.13 0.58 -0.51 -1.08 0.00 0.00 175.30 174.46 1k0s s LEU 132 N 0.97 4.53 -0.05 -1.89 1.02 -1.26 -0.34 118.68 121.66 1k0s s LEU 132 Ca -0.10 1.28 0.01 0.00 0.02 0.00 0.00 54.13 55.35 1k0s s LEU 132 Cb -0.13 -2.92 0.02 0.00 0.02 0.00 0.00 46.19 43.18 1k0s s LEU 132 CO -0.02 0.26 -0.06 -0.63 0.02 0.00 0.00 176.35 175.93 1k0s s ILE 133 N -1.07 0.65 -0.24 -0.59 1.01 0.18 -0.72 121.20 120.43 1k0s s ILE 133 Ca 0.29 -0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 1k0s s ILE 133 Cb -0.20 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1k0s s ILE 133 CO 0.19 0.25 0.66 -0.63 0.00 0.00 0.00 174.94 175.41 1k0s s ILE 134 N 0.92 4.97 0.10 2.92 -1.09 0.25 -0.34 121.20 128.94 1k0s s ILE 134 Ca -0.11 1.20 0.10 0.00 -2.23 0.00 0.00 60.65 59.61 1k0s s ILE 134 Cb -0.14 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 1k0s s ILE 134 CO 0.00 0.03 -0.25 -0.47 -1.23 0.00 0.00 174.94 173.02 1k0s s TYR 135 N 2.42 2.17 -0.10 3.97 5.04 0.15 0.11 117.35 131.11 1k0s s TYR 135 Ca 0.28 -0.39 -0.30 0.00 -2.44 0.00 0.00 57.07 54.22 1k0s s TYR 135 Cb -0.16 -1.21 0.08 0.00 0.35 0.00 0.00 41.96 41.02 1k0s s TYR 135 CO 0.09 0.25 0.72 -0.48 -1.34 0.00 0.00 175.55 174.79 1k0s s LEU 136 N -1.80 -0.64 -0.40 6.97 -0.00 -0.56 0.12 118.68 122.36 1k0s s LEU 136 Ca 0.12 0.81 0.02 0.00 -0.00 0.00 0.00 54.13 55.08 1k0s s LEU 136 Cb -0.10 2.45 0.49 0.00 -0.00 0.00 0.00 46.19 49.03 1k0s s LEU 136 CO 0.05 -0.52 1.80 -0.90 -0.00 0.00 0.00 176.35 176.78 1k0s n ASP 137 N 1.22 4.48 -0.82 1.48 5.75 -1.26 -2.37 116.55 125.03 1k0s n ASP 137 Ca -0.17 -3.33 -0.00 0.00 -0.01 0.00 0.00 54.79 51.27 1k0s n ASP 137 Cb 0.57 -0.83 -0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1k0s n ASP 137 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k0s n ILE 138 N -0.71 0.00 -0.06 2.12 3.06 -1.26 -4.74 119.36 117.77 1k0s n ILE 138 Ca 0.48 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.64 1k0s n ILE 138 Cb 1.24 -0.01 -0.08 0.00 0.54 0.00 0.00 39.64 41.33 1k0s n ILE 138 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1k0s h ASP 139 N 0.00 -0.01 0.57 9.51 3.58 -1.90 -2.57 116.42 125.61 1k0s h ASP 139 Ca -0.00 -0.61 -0.23 0.00 0.42 0.00 0.00 57.03 56.60 1k0s h ASP 139 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1k0s h ASP 139 CO 0.00 0.79 -1.04 0.50 -2.88 0.00 0.00 179.24 176.62 1k0s h LYS 140 N -0.99 0.27 -0.24 0.28 1.63 -1.85 -2.36 116.57 113.29 1k0s h LYS 140 Ca -0.00 -0.35 -0.04 0.00 -0.85 0.00 0.00 60.65 59.41 1k0s h LYS 140 Cb 0.62 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1k0s h LYS 140 CO 0.00 1.10 -0.01 0.97 -3.45 0.00 0.00 179.45 178.05 1k0s h ILE 141 N 0.12 1.26 -0.48 2.00 -0.00 -0.39 -2.29 117.51 117.74 1k0s h ILE 141 Ca -0.08 -0.94 -0.05 0.00 -0.00 0.00 0.00 64.86 63.79 1k0s h ILE 141 Cb 1.72 1.40 -0.02 0.00 -0.00 0.00 0.00 36.82 39.92 1k0s h ILE 141 CO 0.17 0.29 0.12 -0.29 -0.00 0.00 0.00 178.15 178.44 1k0s h ILE 142 N 0.20 1.24 -0.96 2.19 6.09 -1.52 -1.21 117.51 123.53 1k0s h ILE 142 Ca 0.07 -0.82 0.24 0.00 -1.37 0.00 0.00 64.86 62.98 1k0s h ILE 142 Cb 0.44 0.86 -0.13 0.00 0.47 0.00 0.00 36.82 38.46 1k0s h ILE 142 CO 0.02 0.29 0.51 -0.08 -3.07 0.00 0.00 178.15 175.82 1k0s h GLU 143 N 0.65 0.47 -0.19 2.19 4.81 -1.27 0.87 114.58 122.10 1k0s h GLU 143 Ca 0.15 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1k0s h GLU 143 Cb 0.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1k0s h GLU 143 CO 0.00 0.31 -0.51 0.93 -0.73 0.00 0.00 179.01 179.01 1k0s h GLU 144 N 0.48 0.53 -0.16 1.92 4.39 -0.80 -2.24 114.58 118.69 1k0s h GLU 144 Ca 0.62 -0.31 0.04 0.00 0.34 0.00 0.00 59.36 60.05 1k0s h GLU 144 Cb 1.19 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1k0s h GLU 144 CO -0.51 0.91 -0.10 0.82 -1.16 0.00 0.00 179.01 178.97 1k0s h ILE 145 N 0.41 0.68 0.11 3.13 2.04 0.19 0.44 117.51 124.52 1k0s h ILE 145 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1k0s h ILE 145 Cb 1.03 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1k0s h ILE 145 CO 0.09 0.00 -0.05 0.71 0.00 0.00 0.00 178.15 178.90 1k0s h THR 146 N -0.10 1.03 0.00 -0.27 1.35 -1.36 -3.23 112.91 110.33 1k0s h THR 146 Ca 0.10 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1k0s h THR 146 Cb 0.25 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1k0s h THR 146 CO -0.23 0.27 0.00 1.62 -0.25 0.00 0.00 175.52 176.94 1k0s h VAL 147 N -0.82 0.00 -0.81 6.82 3.04 -1.40 -3.13 116.25 119.95 1k0s h VAL 147 Ca -0.02 -0.12 0.18 0.00 -1.01 0.00 0.00 66.70 65.74 1k0s h VAL 147 Cb 0.56 0.93 -0.15 0.00 -2.01 0.00 0.00 31.29 30.62 1k0s h VAL 147 CO 0.02 0.00 -0.10 0.50 -1.01 0.00 0.00 177.57 176.99 1k0s h LYS 148 N 0.00 0.04 -7.05 4.17 1.63 -0.13 -3.40 116.57 111.82 1k0s h LYS 148 Ca 0.00 -0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 1k0s h LYS 148 Cb 0.13 -0.01 0.11 0.00 -0.60 0.00 0.00 32.23 31.86 1k0s h LYS 148 CO 0.00 0.02 0.53 -1.83 -3.45 0.00 0.00 179.45 174.73 1k0s s GLU 149 N -6.17 3.27 -0.38 1.90 -1.05 -1.18 -4.97 118.70 110.11 1k0s s GLU 149 Ca -0.14 1.98 0.10 0.00 -0.15 0.00 0.00 54.97 56.76 1k0s s GLU 149 Cb 0.24 -2.20 0.39 0.00 -0.44 0.00 0.00 34.13 32.11 1k0s s GLU 149 CO 0.76 -1.01 1.39 0.41 0.95 0.00 0.00 175.26 177.76 1k0s n GLY 150 N 0.59 1.43 0.00 -3.83 0.00 -1.26 -5.10 105.19 97.02 1k0s n GLY 150 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1k0s n GLY 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70