#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k s SER 2 N 0.00 6.18 -0.16 1.61 1.04 -1.26 -5.04 113.70 116.07 2d8k s SER 2 Ca 0.00 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.84 2d8k s SER 2 Cb 0.00 -2.21 0.04 0.00 0.10 0.00 0.00 66.02 63.95 2d8k s SER 2 CO 0.00 -0.50 -0.08 -0.94 0.98 0.00 0.00 173.24 172.70 2d8k s SER 3 N 1.77 2.78 0.00 7.02 1.04 -1.26 -4.85 113.70 120.20 2d8k s SER 3 Ca 0.11 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2d8k s SER 3 Cb -0.17 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.95 2d8k s SER 3 CO 0.13 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2d8k n GLY 4 N 4.84 0.77 3.49 7.32 0.00 -1.26 -5.16 105.19 115.18 2d8k n GLY 4 Ca -0.13 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 2d8k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8k s SER 5 N -0.20 -0.63 0.05 1.61 1.04 -1.26 -5.14 113.70 109.17 2d8k s SER 5 Ca 0.00 0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.98 2d8k s SER 5 Cb 0.00 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2d8k s SER 5 CO 0.00 -0.72 -0.15 -0.55 0.98 0.00 0.00 173.24 172.80 2d8k s SER 6 N -1.68 1.82 0.50 7.02 0.15 -1.26 -5.08 113.70 115.18 2d8k s SER 6 Ca -0.07 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2d8k s SER 6 Cb -0.00 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2d8k s SER 6 CO 0.03 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2d8k n GLY 7 N 1.79 0.41 0.24 9.45 0.00 -1.26 -4.00 105.19 111.82 2d8k n GLY 7 Ca -0.18 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.02 2d8k n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8k n SER 8 N -0.75 1.92 -3.71 1.61 3.41 -1.26 -4.98 113.62 109.86 2d8k n SER 8 Ca 0.00 -1.61 -0.12 0.00 -0.26 0.00 0.00 58.87 56.89 2d8k n SER 8 Cb 0.00 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 2d8k n SER 8 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2d8k s ARG 9 N -0.71 0.27 -0.20 4.33 1.81 -1.26 -5.03 118.95 118.17 2d8k s ARG 9 Ca 0.08 0.67 0.01 0.00 -1.72 0.00 0.00 55.73 54.76 2d8k s ARG 9 Cb 0.05 -0.06 0.22 0.00 -0.45 0.00 0.00 34.95 34.71 2d8k s ARG 9 CO 0.07 -0.18 1.57 0.39 -0.68 0.00 0.00 175.30 176.47 2d8k n GLU 10 N 4.41 1.52 -2.70 3.54 4.71 -1.26 -4.82 120.64 126.03 2d8k n GLU 10 Ca -0.22 -1.16 -0.13 0.00 -0.01 0.00 0.00 57.16 55.63 2d8k n GLU 10 Cb 0.53 -1.46 -0.02 0.00 -1.01 0.00 0.00 31.44 29.48 2d8k n GLU 10 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2d8k n ASN 11 N 0.12 -0.98 0.33 1.62 3.02 -1.26 -4.63 115.26 113.48 2d8k n ASN 11 Ca 0.23 -0.18 0.11 0.00 -0.03 0.00 0.00 54.58 54.71 2d8k n ASN 11 Cb 0.81 -0.91 0.58 0.00 -0.61 0.00 0.00 39.78 39.66 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2d8k h LEU 12 N -0.27 0.00 0.00 3.41 3.38 -1.87 -3.39 115.31 116.57 2d8k h LEU 12 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2d8k h LEU 12 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2d8k h LEU 12 CO 0.28 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2d8k n GLY 13 N -1.31 0.52 3.43 0.83 0.00 -0.72 -4.21 105.19 103.74 2d8k n GLY 13 Ca -0.01 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 2d8k n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2d8k s ARG 14 N -2.03 1.55 0.00 1.61 1.70 -0.66 -1.59 118.95 119.54 2d8k s ARG 14 Ca 0.00 -1.66 0.07 0.00 -0.47 0.00 0.00 55.73 53.67 2d8k s ARG 14 Cb 0.00 -1.62 -0.02 0.00 -0.57 0.00 0.00 34.95 32.74 2d8k s ARG 14 CO 0.00 0.31 -0.22 -1.50 -1.08 0.00 0.00 175.30 172.81 2d8k s ILE 15 N -2.41 1.73 -0.21 4.99 2.07 -0.29 -2.62 121.20 124.45 2d8k s ILE 15 Ca 0.26 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 58.50 2d8k s ILE 15 Cb -0.05 -1.45 0.03 0.00 0.13 0.00 0.00 42.46 41.12 2d8k s ILE 15 CO 0.12 0.42 -0.16 -1.58 -1.91 0.00 0.00 174.94 171.83 2d8k s GLN 16 N -0.70 2.72 0.01 3.50 0.74 -1.14 -2.92 119.66 121.87 2d8k s GLN 16 Ca 0.08 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.48 2d8k s GLN 16 Cb -0.09 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.30 2d8k s GLN 16 CO -0.00 -0.35 -0.02 -0.59 -0.55 0.00 0.00 175.29 173.77 2d8k s PHE 17 N 1.23 0.21 -0.16 1.67 -0.71 -1.11 -1.26 117.98 117.85 2d8k s PHE 17 Ca -0.00 -0.25 -0.08 0.00 -1.04 0.00 0.00 56.93 55.56 2d8k s PHE 17 Cb -0.16 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2d8k s PHE 17 CO -0.09 -0.08 0.12 0.45 -1.34 0.00 0.00 175.22 174.28 2d8k s SER 18 N -0.69 6.14 -0.00 1.98 0.15 0.92 -1.82 113.70 120.38 2d8k s SER 18 Ca -0.06 0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.92 2d8k s SER 18 Cb -0.05 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2d8k s SER 18 CO -0.00 0.27 -0.12 -0.69 1.20 0.00 0.00 173.24 173.90 2d8k s VAL 19 N -0.20 3.28 -0.30 4.45 1.01 -1.05 -1.85 120.40 125.75 2d8k s VAL 19 Ca 0.10 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 2d8k s VAL 19 Cb -0.12 -2.38 0.21 0.00 0.00 0.00 0.00 36.38 34.09 2d8k s VAL 19 CO 0.01 0.43 1.30 -0.83 0.00 0.00 0.00 175.10 176.00 2d8k s GLY 20 N -1.25 0.54 -0.12 4.51 0.00 -0.87 -2.25 107.32 107.88 2d8k s GLY 20 Ca 0.15 3.83 -0.02 0.00 0.00 0.00 0.00 44.72 48.68 2d8k s GLY 20 CO 0.05 3.04 -0.06 -0.47 0.00 0.00 0.00 173.10 175.66 2d8k s TYR 21 N 1.42 2.97 -0.12 1.90 6.14 -1.16 0.28 117.35 128.79 2d8k s TYR 21 Ca -0.04 -0.22 -0.18 0.00 0.64 0.00 0.00 57.07 57.27 2d8k s TYR 21 Cb -0.01 -1.85 -0.04 0.00 0.42 0.00 0.00 41.96 40.47 2d8k s TYR 21 CO -0.12 0.09 0.47 -0.80 0.64 0.00 0.00 175.55 175.83 2d8k s ASN 22 N -0.09 6.68 -0.03 4.32 -0.87 0.59 -4.64 114.94 120.91 2d8k s ASN 22 Ca 0.01 0.81 -0.19 0.00 -1.57 0.00 0.00 52.86 51.93 2d8k s ASN 22 Cb -0.13 -2.28 -0.12 0.00 -0.02 0.00 0.00 41.25 38.70 2d8k s ASN 22 CO 0.03 0.01 0.78 -0.26 -2.57 0.00 0.00 177.10 175.09 2d8k h PHE 23 N 6.70 -0.45 -0.06 2.20 -1.00 -1.94 -0.06 116.94 122.33 2d8k h PHE 23 Ca -0.41 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.37 2d8k h PHE 23 Cb 1.18 0.15 -0.03 0.00 3.61 0.00 0.00 35.95 40.86 2d8k h PHE 23 CO 0.62 -0.17 -0.22 1.96 -1.61 0.00 0.00 178.31 178.90 2d8k h GLN 24 N -1.05 -0.22 0.00 1.51 4.20 -1.98 0.18 115.11 117.76 2d8k h GLN 24 Ca -0.05 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2d8k h GLN 24 Cb 0.48 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2d8k h GLN 24 CO 0.08 -0.14 0.00 0.39 -0.67 0.00 0.00 178.83 178.49 2d8k n GLU 25 N -3.70 0.38 -4.06 1.46 -0.58 -1.26 -4.86 120.64 108.02 2d8k n GLU 25 Ca -0.02 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.45 2d8k n GLU 25 Cb 0.15 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2d8k n GLU 25 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2d8k n SER 26 N -1.12 -0.97 -4.09 1.62 3.41 0.64 -4.92 113.62 108.18 2d8k n SER 26 Ca 0.10 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.48 2d8k n SER 26 Cb 0.08 -1.37 -0.11 0.00 -0.26 0.00 0.00 64.21 62.56 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2d8k s THR 27 N -4.01 0.54 -0.13 6.66 2.01 -0.75 -4.51 115.64 115.44 2d8k s THR 27 Ca 0.18 -1.41 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 2d8k s THR 27 Cb -0.10 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 2d8k s THR 27 CO 0.86 -0.60 0.29 -0.22 -0.69 0.00 0.00 174.62 174.25 2d8k s LEU 28 N -2.16 4.29 -0.26 4.42 2.96 -1.23 -0.30 118.68 126.41 2d8k s LEU 28 Ca -0.02 0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 54.40 2d8k s LEU 28 Cb -0.04 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.30 2d8k s LEU 28 CO -0.02 0.17 0.02 -0.89 -1.32 0.00 0.00 176.35 174.31 2d8k s THR 29 N 0.06 3.62 -0.25 3.68 2.01 0.14 -2.82 115.64 122.09 2d8k s THR 29 Ca 0.17 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2d8k s THR 29 Cb -0.13 -2.78 0.06 0.00 0.01 0.00 0.00 72.50 69.66 2d8k s THR 29 CO 0.05 0.23 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.46 2d8k s VAL 30 N 1.47 1.75 -0.15 3.82 1.01 -1.13 -2.05 120.40 125.12 2d8k s VAL 30 Ca 0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 2d8k s VAL 30 Cb -0.16 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2d8k s VAL 30 CO -0.00 -0.12 -0.03 -0.75 0.00 0.00 0.00 175.10 174.20 2d8k s LYS 31 N 1.28 3.65 -0.80 2.72 2.20 -0.77 -2.09 119.74 125.93 2d8k s LYS 31 Ca -0.06 -0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 2d8k s LYS 31 Cb -0.19 -2.93 0.21 0.00 -1.51 0.00 0.00 37.83 33.41 2d8k s LYS 31 CO -0.06 0.27 0.70 0.42 -0.36 0.00 0.00 175.35 176.32 2d8k s ILE 32 N 0.28 5.02 0.00 5.43 -1.09 -1.17 -0.06 121.20 129.61 2d8k s ILE 32 Ca -0.03 -2.80 0.00 0.00 -2.23 0.00 0.00 60.65 55.60 2d8k s ILE 32 Cb -0.14 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 2d8k s ILE 32 CO 0.03 -1.00 0.72 0.23 -1.23 0.00 0.00 174.94 173.68 2d8k n MET 33 N 3.60 0.00 -3.93 2.79 2.81 -0.39 -0.42 117.12 121.59 2d8k n MET 33 Ca 0.14 0.72 0.01 0.00 -1.81 0.00 0.00 57.70 56.75 2d8k n MET 33 Cb 0.43 -1.20 0.01 0.00 -0.71 0.00 0.00 33.22 31.75 2d8k n MET 33 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2d8k s LYS 34 N -1.96 0.59 0.13 0.03 0.00 -1.22 -1.90 119.74 115.42 2d8k s LYS 34 Ca 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 55.97 55.68 2d8k s LYS 34 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 37.83 37.96 2d8k s LYS 34 CO 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 175.35 174.90 2d8k s ALA 35 N -2.10 2.72 0.01 0.59 0.00 -1.08 -2.90 121.76 119.00 2d8k s ALA 35 Ca 0.26 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 2d8k s ALA 35 Cb -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2d8k s ALA 35 CO 0.00 0.57 0.07 -0.65 0.00 0.00 0.00 175.76 175.76 2d8k s GLN 36 N -2.25 0.38 -1.17 0.00 -1.52 -1.08 -4.29 119.66 109.73 2d8k s GLN 36 Ca 0.19 -0.42 -0.06 0.00 -1.95 0.00 0.00 55.36 53.12 2d8k s GLN 36 Cb -0.10 0.15 0.01 0.00 -0.22 0.00 0.00 33.01 32.84 2d8k s GLN 36 CO 0.11 -0.08 1.01 0.39 -0.25 0.00 0.00 175.29 176.47 2d8k n GLU 37 N 1.68 -6.78 -3.08 2.91 1.02 -1.26 -1.65 120.64 113.48 2d8k n GLU 37 Ca -0.22 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.26 2d8k n GLU 37 Cb 0.56 -5.51 -0.06 0.00 -0.02 0.00 0.00 31.44 26.41 2d8k n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d8k s LEU 38 N -6.41 4.12 0.83 -4.62 1.43 -1.26 -1.75 118.68 111.01 2d8k s LEU 38 Ca 0.37 0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 2d8k s LEU 38 Cb -0.16 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.22 2d8k s LEU 38 CO 0.65 -0.33 1.09 -2.16 0.23 0.00 0.00 176.35 175.83 2d8k s PRO 39 N 2.18 1.83 -0.02 1.29 0.04 -1.26 -4.89 135.00 134.16 2d8k s PRO 39 Ca 0.29 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.37 2d8k s PRO 39 Cb -0.16 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2d8k s PRO 39 CO 0.10 -1.90 -0.05 0.00 0.04 0.00 0.00 177.00 175.19 2d8k s ALA 40 N -2.92 3.09 -0.26 8.56 0.00 -1.26 -4.91 121.76 124.06 2d8k s ALA 40 Ca 0.62 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2d8k s ALA 40 Cb -0.17 -1.23 -0.15 0.00 0.00 0.00 0.00 23.12 21.57 2d8k s ALA 40 CO 0.56 0.61 -0.27 1.63 0.00 0.00 0.00 175.76 178.29 2d8k n LYS 41 N 1.73 0.62 -1.55 0.00 4.76 -1.26 -4.99 118.16 117.47 2d8k n LYS 41 Ca -0.16 0.19 -0.33 0.00 -2.87 0.00 0.00 58.31 55.14 2d8k n LYS 41 Cb 0.53 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.29 2d8k n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2d8k s ASP 42 N -6.84 4.69 0.13 4.39 1.01 -1.25 -4.96 116.67 113.83 2d8k s ASP 42 Ca -0.36 2.06 -0.13 0.00 0.71 0.00 0.00 52.55 54.83 2d8k s ASP 42 Cb 0.11 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.43 2d8k s ASP 42 CO 0.55 -1.92 1.46 -0.26 0.21 0.00 0.00 175.17 175.21 2d8k h PHE 43 N -0.34 1.01 -0.88 4.23 0.04 -1.94 -3.20 116.94 115.87 2d8k h PHE 43 Ca -0.46 -0.30 0.20 0.00 2.80 0.00 0.00 57.97 60.21 2d8k h PHE 43 Cb 1.26 -0.21 -0.16 0.00 2.20 0.00 0.00 35.95 39.03 2d8k h PHE 43 CO 0.53 1.09 -0.08 0.77 -0.60 0.00 0.00 178.31 180.02 2d8k h SER 44 N 0.64 -0.59 0.00 2.17 0.02 -2.01 -3.44 113.55 110.34 2d8k h SER 44 Ca 0.06 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2d8k h SER 44 Cb 0.91 0.47 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2d8k h SER 44 CO 0.08 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.11 2d8k n GLY 45 N -1.50 1.43 3.62 -3.77 0.00 -1.21 -5.15 105.19 98.62 2d8k n GLY 45 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2d8k n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d8k s THR 46 N -1.43 0.01 0.32 2.61 -1.32 -1.26 -4.94 115.64 109.62 2d8k s THR 46 Ca 0.00 -0.71 -0.15 0.00 -1.21 0.00 0.00 61.69 59.61 2d8k s THR 46 Cb 0.00 -1.63 0.02 0.00 -1.51 0.00 0.00 72.50 69.38 2d8k s THR 46 CO 0.00 -0.04 0.66 -0.44 -2.21 0.00 0.00 174.62 172.59 2d8k s SER 47 N -2.87 0.01 -0.94 8.08 0.01 -1.26 -3.92 113.70 112.81 2d8k s SER 47 Ca 0.09 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 2d8k s SER 47 Cb -0.03 0.73 0.23 0.00 0.21 0.00 0.00 66.02 67.17 2d8k s SER 47 CO -0.01 -1.41 0.85 1.51 0.41 0.00 0.00 173.24 174.59 2d8k s ASP 48 N -3.03 6.35 0.67 2.44 -4.77 -1.26 -3.35 116.67 113.72 2d8k s ASP 48 Ca 0.17 -3.61 -0.15 0.00 -3.30 0.00 0.00 52.55 45.67 2d8k s ASP 48 Cb -0.04 -2.00 0.00 0.00 -1.09 0.00 0.00 42.92 39.79 2d8k s ASP 48 CO 0.10 -0.23 1.11 -2.16 0.70 0.00 0.00 175.17 174.69 2d8k s PRO 49 N -1.21 2.77 -0.27 2.11 0.04 -1.25 -1.78 135.00 135.41 2d8k s PRO 49 Ca 0.27 1.38 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 2d8k s PRO 49 Cb -0.09 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.58 2d8k s PRO 49 CO -0.11 -1.27 0.76 -0.59 0.04 0.00 0.00 177.00 175.83 2d8k s PHE 50 N -2.37 -0.78 0.23 0.56 -0.71 0.25 -3.58 117.98 111.58 2d8k s PHE 50 Ca 0.67 1.85 -0.14 0.00 -1.04 0.00 0.00 56.93 58.27 2d8k s PHE 50 Cb -0.20 0.32 -0.08 0.00 -1.21 0.00 0.00 43.02 41.85 2d8k s PHE 50 CO 0.42 -0.38 0.64 0.08 -1.34 0.00 0.00 175.22 174.64 2d8k s VAL 51 N 0.52 4.77 0.00 -2.49 1.01 -1.26 -2.57 120.40 120.37 2d8k s VAL 51 Ca -0.01 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.90 2d8k s VAL 51 Cb -0.05 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2d8k s VAL 51 CO -0.02 0.03 -0.21 -0.54 0.00 0.00 0.00 175.10 174.36 2d8k s LYS 52 N -2.47 1.59 -0.24 2.72 1.02 -0.96 -1.01 119.74 120.39 2d8k s LYS 52 Ca 0.46 -0.79 0.01 0.00 0.02 0.00 0.00 55.97 55.67 2d8k s LYS 52 Cb -0.13 -1.58 0.04 0.00 -0.52 0.00 0.00 37.83 35.64 2d8k s LYS 52 CO 0.19 0.43 -0.12 0.42 -0.92 0.00 0.00 175.35 175.35 2d8k s ILE 53 N -0.56 2.32 -0.16 2.17 1.01 0.99 -2.94 121.20 124.03 2d8k s ILE 53 Ca 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.40 2d8k s ILE 53 Cb -0.08 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.19 2d8k s ILE 53 CO -0.00 0.16 -0.12 -0.31 0.00 0.00 0.00 174.94 174.67 2d8k s TYR 54 N 1.20 2.11 -1.11 3.97 1.51 -0.88 -1.81 117.35 122.33 2d8k s TYR 54 Ca -0.03 -1.23 -0.17 0.00 -1.01 0.00 0.00 57.07 54.63 2d8k s TYR 54 Cb -0.18 -1.54 0.14 0.00 -0.11 0.00 0.00 41.96 40.27 2d8k s TYR 54 CO -0.07 -0.66 1.37 -0.51 -1.11 0.00 0.00 175.55 174.57 2d8k s LEU 55 N 1.51 4.80 0.56 -1.29 1.43 -1.25 -2.13 118.68 122.30 2d8k s LEU 55 Ca 0.03 -2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 50.44 2d8k s LEU 55 Cb -0.14 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 2d8k s LEU 55 CO -0.10 -0.95 1.12 -0.76 0.23 0.00 0.00 176.35 175.89 2d8k s LEU 56 N 2.49 3.70 0.25 1.79 1.43 -1.11 -1.69 118.68 125.53 2d8k s LEU 56 Ca 0.41 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.66 2d8k s LEU 56 Cb -0.02 -4.58 0.29 0.00 0.03 0.00 0.00 46.19 41.91 2d8k s LEU 56 CO -0.03 -1.26 1.62 1.55 0.23 0.00 0.00 176.35 178.46 2d8k h PRO 57 N 1.03 0.42 -5.59 1.29 0.13 -1.89 -2.29 132.00 125.09 2d8k h PRO 57 Ca -0.49 -0.22 -0.61 0.00 -0.87 0.00 0.00 66.00 63.81 2d8k h PRO 57 Cb 1.26 0.01 0.12 0.00 0.13 0.00 0.00 31.00 32.52 2d8k h PRO 57 CO 0.57 0.78 -0.66 -3.47 -0.23 0.00 0.00 178.00 174.98 2d8k n ASP 58 N -4.00 -1.82 0.00 1.44 -0.08 -0.68 -4.90 116.55 106.51 2d8k n ASP 58 Ca -0.02 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.19 2d8k n ASP 58 Cb 0.52 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 43.12 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2d8k n LYS 59 N 1.07 0.74 -0.10 -0.67 5.02 -1.26 -3.96 118.16 119.00 2d8k n LYS 59 Ca 0.14 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.40 2d8k n LYS 59 Cb 0.29 -0.72 -0.02 0.00 -0.02 0.00 0.00 35.03 34.56 2d8k n LYS 59 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2d8k h LYS 60 N 0.00 -0.00 -6.07 1.97 3.64 -1.94 -3.20 116.57 110.96 2d8k h LYS 60 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 2d8k h LYS 60 Cb 0.43 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.17 2d8k h LYS 60 CO 0.00 -0.00 1.27 -1.58 -2.27 0.00 0.00 179.45 176.87 2d8k s HIS 61 N -3.61 2.30 0.12 1.91 2.46 -1.26 -4.95 115.29 112.25 2d8k s HIS 61 Ca -0.03 -0.32 0.07 0.00 0.47 0.00 0.00 55.06 55.25 2d8k s HIS 61 Cb 0.03 -4.53 -0.04 0.00 -0.13 0.00 0.00 32.58 27.91 2d8k s HIS 61 CO 0.15 -1.95 -0.17 -1.59 -2.47 0.00 0.00 174.74 168.71 2d8k s LYS 62 N 5.62 1.08 0.24 2.88 -2.85 -1.21 -4.49 119.74 121.01 2d8k s LYS 62 Ca 0.50 -1.22 0.01 0.00 -1.00 0.00 0.00 55.97 54.25 2d8k s LYS 62 Cb -0.03 -1.12 -0.05 0.00 -2.06 0.00 0.00 37.83 34.57 2d8k s LYS 62 CO -0.02 0.24 0.09 -0.51 0.10 0.00 0.00 175.35 175.25 2d8k s LEU 63 N -2.28 1.64 0.23 2.77 1.02 -0.75 -5.04 118.68 116.27 2d8k s LEU 63 Ca 0.08 -1.36 -0.10 0.00 0.02 0.00 0.00 54.13 52.77 2d8k s LEU 63 Cb -0.07 0.05 -0.01 0.00 0.02 0.00 0.00 46.19 46.18 2d8k s LEU 63 CO 0.04 -0.72 0.39 -1.61 0.02 0.00 0.00 176.35 174.47 2d8k s GLU 64 N -4.03 1.45 0.38 1.70 2.02 -1.26 -0.01 118.70 118.95 2d8k s GLU 64 Ca 0.36 -1.32 0.04 0.00 0.02 0.00 0.00 54.97 54.07 2d8k s GLU 64 Cb 0.08 0.42 -0.01 0.00 0.10 0.00 0.00 34.13 34.72 2d8k s GLU 64 CO 0.12 -0.58 0.54 0.95 0.02 0.00 0.00 175.26 176.32 2d8k s THR 65 N -4.04 4.00 1.00 3.63 -4.23 -0.18 -4.94 115.64 110.88 2d8k s THR 65 Ca 0.25 -0.83 -0.11 0.00 -1.18 0.00 0.00 61.69 59.83 2d8k s THR 65 Cb 0.01 -3.42 0.19 0.00 1.34 0.00 0.00 72.50 70.63 2d8k s THR 65 CO 0.09 -0.21 1.10 0.29 -0.54 0.00 0.00 174.62 175.35 2d8k n LYS 66 N -1.81 -1.07 -4.18 3.99 4.76 -1.26 -4.60 118.16 113.99 2d8k n LYS 66 Ca 0.01 -0.26 -0.35 0.00 -2.87 0.00 0.00 58.31 54.84 2d8k n LYS 66 Cb 0.58 -2.31 -0.10 0.00 -1.84 0.00 0.00 35.03 31.36 2d8k n LYS 66 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2d8k s VAL 67 N -2.57 4.51 -0.21 -0.18 1.01 -1.26 -4.61 120.40 117.09 2d8k s VAL 67 Ca 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 2d8k s VAL 67 Cb -0.24 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2d8k s VAL 67 CO 0.60 0.52 -0.11 -0.54 0.00 0.00 0.00 175.10 175.58 2d8k s LYS 68 N -0.06 3.08 0.19 2.72 -0.14 -1.23 -5.07 119.74 119.23 2d8k s LYS 68 Ca 0.05 -0.80 -0.19 0.00 -1.36 0.00 0.00 55.97 53.67 2d8k s LYS 68 Cb -0.12 -2.84 -0.08 0.00 -1.68 0.00 0.00 37.83 33.10 2d8k s LYS 68 CO 0.02 -0.26 0.68 1.03 -0.76 0.00 0.00 175.35 176.05 2d8k s ARG 69 N 1.37 4.20 -1.22 1.68 1.81 -1.26 -3.82 118.95 121.70 2d8k s ARG 69 Ca 0.04 0.78 -0.05 0.00 -1.72 0.00 0.00 55.73 54.79 2d8k s ARG 69 Cb -0.14 -2.93 -0.01 0.00 -0.45 0.00 0.00 34.95 31.41 2d8k s ARG 69 CO -0.07 0.44 0.78 1.63 -0.68 0.00 0.00 175.30 177.40 2d8k n LYS 70 N 0.84 -3.96 -3.64 3.54 5.02 -1.24 -5.00 118.16 113.73 2d8k n LYS 70 Ca -0.04 0.65 -0.07 0.00 -2.02 0.00 0.00 58.31 56.84 2d8k n LYS 70 Cb 0.51 -5.16 -0.07 0.00 -0.02 0.00 0.00 35.03 30.29 2d8k n LYS 70 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2d8k s ASN 71 N -4.04 -0.86 -0.06 4.39 3.84 -1.21 -4.98 114.94 112.01 2d8k s ASN 71 Ca 0.16 1.40 0.09 0.00 0.21 0.00 0.00 52.86 54.72 2d8k s ASN 71 Cb -0.04 1.36 -0.14 0.00 -0.55 0.00 0.00 41.25 41.88 2d8k s ASN 71 CO 0.80 -0.22 0.12 0.18 -2.79 0.00 0.00 177.10 175.18 2d8k n LEU 72 N 4.06 0.00 -2.31 3.21 4.77 -1.26 -4.30 117.00 121.16 2d8k n LEU 72 Ca -0.19 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.52 2d8k n LEU 72 Cb 0.58 0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.82 2d8k n LEU 72 CO -0.01 0.13 0.34 0.59 -1.33 0.00 0.00 177.39 177.11 2d8k n ASN 73 N -2.14 5.14 -4.70 -1.43 3.02 -1.26 -4.25 115.26 109.64 2d8k n ASN 73 Ca -0.10 -3.74 -0.29 0.00 -0.03 0.00 0.00 54.58 50.42 2d8k n ASN 73 Cb 0.58 -0.48 0.15 0.00 -0.61 0.00 0.00 39.78 39.42 2d8k n ASN 73 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d8k s PRO 74 N -3.61 0.95 -0.17 3.52 0.04 -1.26 -4.75 135.00 129.71 2d8k s PRO 74 Ca 0.50 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.25 2d8k s PRO 74 Cb 0.41 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 33.21 2d8k s PRO 74 CO -0.10 -2.43 -0.07 -3.38 0.04 0.00 0.00 177.00 171.06 2d8k s HIS 75 N -2.94 1.91 -0.09 0.56 -3.43 -1.26 -2.65 115.29 107.39 2d8k s HIS 75 Ca 0.64 -1.20 -0.14 0.00 -0.80 0.00 0.00 55.06 53.56 2d8k s HIS 75 Cb -0.18 -1.42 -0.28 0.00 -1.43 0.00 0.00 32.58 29.27 2d8k s HIS 75 CO 0.57 -0.65 0.56 -1.49 -2.00 0.00 0.00 174.74 171.73 2d8k h TRP 76 N 8.08 0.51 -5.79 0.38 6.55 -1.65 -3.47 115.95 120.56 2d8k h TRP 76 Ca -0.27 -0.38 -0.31 0.00 0.95 0.00 0.00 58.89 58.89 2d8k h TRP 76 Cb 1.11 -0.02 -0.19 0.00 -0.86 0.00 0.00 29.16 29.20 2d8k h TRP 76 CO 0.47 1.61 -0.45 0.27 -1.05 0.00 0.00 178.44 179.29 2d8k n ASN 77 N -3.80 -1.31 -4.94 -3.49 0.23 0.44 -4.87 115.26 97.52 2d8k n ASN 77 Ca -0.26 -0.41 -0.24 0.00 -0.53 0.00 0.00 54.58 53.14 2d8k n ASN 77 Cb 0.96 -1.19 0.05 0.00 -2.08 0.00 0.00 39.78 37.51 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2d8k s GLU 78 N -5.66 2.50 -0.06 -3.83 0.41 -1.26 -4.86 118.70 105.95 2d8k s GLU 78 Ca 0.41 -0.39 0.02 0.00 -0.41 0.00 0.00 54.97 54.60 2d8k s GLU 78 Cb -0.24 -2.32 0.02 0.00 -1.78 0.00 0.00 34.13 29.81 2d8k s GLU 78 CO 0.50 -0.90 -0.09 0.99 -0.49 0.00 0.00 175.26 175.27 2d8k s THR 79 N -3.00 0.87 0.14 3.63 2.01 -1.26 -3.02 115.64 115.01 2d8k s THR 79 Ca 0.57 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.33 2d8k s THR 79 Cb -0.11 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 2d8k s THR 79 CO 0.42 0.30 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.23 2d8k s PHE 80 N 0.85 2.77 -0.04 4.92 0.08 -0.89 -4.97 117.98 120.70 2d8k s PHE 80 Ca -0.12 -0.15 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2d8k s PHE 80 Cb -0.15 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 40.94 2d8k s PHE 80 CO 0.01 0.48 0.07 -0.51 -0.10 0.00 0.00 175.22 175.17 2d8k s LEU 81 N -2.57 0.12 -0.50 -0.37 1.43 -1.25 -2.82 118.68 112.74 2d8k s LEU 81 Ca 0.24 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 2d8k s LEU 81 Cb -0.10 -0.10 0.12 0.00 0.03 0.00 0.00 46.19 46.14 2d8k s LEU 81 CO 0.16 -0.25 0.41 -0.36 0.23 0.00 0.00 176.35 176.54 2d8k s PHE 82 N 2.17 3.33 0.00 0.29 0.08 -1.13 -4.92 117.98 117.81 2d8k s PHE 82 Ca 0.05 -1.53 -0.12 0.00 0.12 0.00 0.00 56.93 55.46 2d8k s PHE 82 Cb -0.12 -3.55 -0.05 0.00 -0.57 0.00 0.00 43.02 38.73 2d8k s PHE 82 CO -0.03 -0.98 0.35 -1.21 -0.10 0.00 0.00 175.22 173.25 2d8k s GLU 83 N 1.49 3.77 0.00 0.44 2.02 -1.26 -3.49 118.70 121.67 2d8k s GLU 83 Ca 0.04 0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.25 2d8k s GLU 83 Cb -0.27 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.81 2d8k s GLU 83 CO 0.02 0.67 0.00 0.41 0.02 0.00 0.00 175.26 176.37 2d8k n GLY 84 N 1.54 1.14 2.72 -1.39 0.00 -1.26 -5.09 105.19 102.85 2d8k n GLY 84 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 2d8k n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8k s PHE 85 N -2.00 0.59 0.33 1.61 0.40 -1.26 -5.13 117.98 112.52 2d8k s PHE 85 Ca 0.00 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.72 2d8k s PHE 85 Cb 0.00 -0.80 -0.10 0.00 0.51 0.00 0.00 43.02 42.63 2d8k s PHE 85 CO 0.00 -0.42 1.22 -1.25 0.70 0.00 0.00 175.22 175.47 2d8k s PRO 86 N 2.00 4.38 0.19 0.24 0.04 -1.26 -4.68 135.00 135.91 2d8k s PRO 86 Ca 0.03 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 2d8k s PRO 86 Cb -0.14 -3.04 0.16 0.00 0.04 0.00 0.00 34.50 31.53 2d8k s PRO 86 CO -0.06 -0.09 1.61 -0.92 0.04 0.00 0.00 177.00 177.58 2d8k h TYR 87 N 3.37 -0.57 -0.72 0.56 3.20 -1.94 0.60 116.97 121.48 2d8k h TYR 87 Ca -0.48 0.06 0.21 0.00 3.14 0.00 0.00 58.73 61.66 2d8k h TYR 87 Cb 1.22 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 39.80 2d8k h TYR 87 CO 0.56 -0.31 0.85 1.05 -1.64 0.00 0.00 178.16 178.67 2d8k h GLU 88 N -0.09 0.00 0.00 1.82 4.11 -2.01 -1.35 114.58 117.06 2d8k h GLU 88 Ca 0.25 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.61 2d8k h GLU 88 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2d8k h GLU 88 CO -0.61 0.00 -1.10 1.63 0.07 0.00 0.00 179.01 179.00 2d8k n LYS 89 N -3.43 0.52 -0.67 1.06 5.02 0.18 -4.25 118.16 116.59 2d8k n LYS 89 Ca 0.15 0.30 0.50 0.00 -2.02 0.00 0.00 58.31 57.25 2d8k n LYS 89 Cb 1.09 -1.51 0.78 0.00 -0.02 0.00 0.00 35.03 35.38 2d8k n LYS 89 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2d8k n VAL 90 N -4.47 -0.03 -0.10 -0.18 3.14 0.48 0.20 118.33 117.38 2d8k n VAL 90 Ca -0.18 1.48 -0.13 0.00 -2.96 0.00 0.00 64.34 62.55 2d8k n VAL 90 Cb 0.52 -2.46 -0.04 0.00 -1.06 0.00 0.00 33.84 30.80 2d8k n VAL 90 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 2d8k h VAL 91 N 0.00 1.30 0.00 1.55 -1.51 -1.47 -2.63 116.25 113.48 2d8k h VAL 91 Ca 0.91 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2d8k h VAL 91 Cb 3.57 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 34.23 2d8k h VAL 91 CO -0.06 0.44 0.00 0.00 -1.23 0.00 0.00 177.57 176.72 2d8k n GLN 92 N -4.29 0.07 -2.65 5.19 6.02 0.54 -2.70 117.38 119.55 2d8k n GLN 92 Ca -0.03 0.27 -0.23 0.00 -0.01 0.00 0.00 57.00 57.00 2d8k n GLN 92 Cb 0.44 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.30 2d8k n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d8k s ARG 93 N -2.69 1.79 -0.03 -1.09 1.81 -0.99 -4.85 118.95 112.90 2d8k s ARG 93 Ca 0.05 -1.18 -0.01 0.00 -1.72 0.00 0.00 55.73 52.87 2d8k s ARG 93 Cb 0.04 -2.38 0.03 0.00 -0.45 0.00 0.00 34.95 32.19 2d8k s ARG 93 CO 0.10 -1.35 0.04 0.42 -0.68 0.00 0.00 175.30 173.84 2d8k s ILE 94 N -3.06 -0.07 -0.12 1.52 1.01 -0.86 -2.68 121.20 116.93 2d8k s ILE 94 Ca 0.65 0.27 -0.29 0.00 0.00 0.00 0.00 60.65 61.28 2d8k s ILE 94 Cb -0.05 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 2d8k s ILE 94 CO 0.43 0.11 1.39 -0.22 0.00 0.00 0.00 174.94 176.65 2d8k s LEU 95 N 1.34 4.23 -0.37 2.97 2.96 -0.36 -2.77 118.68 126.68 2d8k s LEU 95 Ca -0.06 1.88 -0.02 0.00 -0.22 0.00 0.00 54.13 55.71 2d8k s LEU 95 Cb -0.13 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.11 2d8k s LEU 95 CO -0.03 -0.81 0.13 -0.47 -1.32 0.00 0.00 176.35 173.85 2d8k s TYR 96 N 3.62 3.49 -0.28 5.38 6.14 -0.91 -2.65 117.35 132.15 2d8k s TYR 96 Ca 0.61 -2.25 -0.07 0.00 0.64 0.00 0.00 57.07 56.00 2d8k s TYR 96 Cb -0.26 -2.85 -0.00 0.00 0.42 0.00 0.00 41.96 39.27 2d8k s TYR 96 CO 0.20 -0.91 0.08 -0.51 0.64 0.00 0.00 175.55 175.04 2d8k s LEU 97 N 1.17 3.70 -0.20 6.97 1.43 -1.11 -2.07 118.68 128.56 2d8k s LEU 97 Ca 0.04 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2d8k s LEU 97 Cb -0.22 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.13 2d8k s LEU 97 CO -0.03 -0.14 -0.14 -1.58 0.23 0.00 0.00 176.35 174.69 2d8k s GLN 98 N 1.54 3.02 -0.39 1.70 0.74 -1.15 0.49 119.66 125.61 2d8k s GLN 98 Ca 0.04 -0.83 -0.15 0.00 0.05 0.00 0.00 55.36 54.46 2d8k s GLN 98 Cb -0.16 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.20 2d8k s GLN 98 CO 0.03 -0.26 0.35 0.08 -0.55 0.00 0.00 175.29 174.94 2d8k s VAL 99 N 1.33 5.19 0.36 1.34 1.01 0.20 -2.25 120.40 127.58 2d8k s VAL 99 Ca 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2d8k s VAL 99 Cb -0.14 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2d8k s VAL 99 CO -0.09 -0.24 0.51 -1.48 0.00 0.00 0.00 175.10 173.80 2d8k s LEU 100 N 1.90 1.00 0.07 3.92 2.34 -1.06 -1.81 118.68 125.03 2d8k s LEU 100 Ca 0.09 -1.52 0.02 0.00 0.06 0.00 0.00 54.13 52.78 2d8k s LEU 100 Cb -0.18 1.59 -0.04 0.00 -0.56 0.00 0.00 46.19 47.00 2d8k s LEU 100 CO 0.12 -1.36 0.11 1.51 -1.06 0.00 0.00 176.35 175.66 2d8k s ASP 101 N -3.25 5.71 0.33 1.48 -4.77 -1.25 0.88 116.67 115.80 2d8k s ASP 101 Ca 0.30 0.06 -0.01 0.00 -3.30 0.00 0.00 52.55 49.60 2d8k s ASP 101 Cb -0.01 -1.59 -0.04 0.00 -1.09 0.00 0.00 42.92 40.19 2d8k s ASP 101 CO 0.21 0.18 0.54 -0.47 0.70 0.00 0.00 175.17 176.33 2d8k s TYR 102 N -1.39 3.50 0.08 2.11 5.04 -0.73 -4.22 117.35 121.73 2d8k s TYR 102 Ca 0.30 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2d8k s TYR 102 Cb -0.12 -1.94 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 2d8k s TYR 102 CO 0.22 0.14 -0.05 -0.51 -1.34 0.00 0.00 175.55 174.01 2d8k s ASP 103 N -3.82 0.88 0.01 4.32 1.11 -1.26 -4.76 116.67 113.14 2d8k s ASP 103 Ca 0.41 -1.00 -0.25 0.00 0.18 0.00 0.00 52.55 51.89 2d8k s ASP 103 Cb -0.10 0.14 -0.18 0.00 1.07 0.00 0.00 42.92 43.85 2d8k s ASP 103 CO 0.35 -0.52 1.36 0.08 1.18 0.00 0.00 175.17 177.62 2d8k h ARG 104 N 3.06 -0.13 0.00 8.23 0.11 -2.00 -3.46 114.38 120.19 2d8k h ARG 104 Ca -0.35 0.01 -0.24 0.00 0.10 0.00 0.00 59.98 59.50 2d8k h ARG 104 Cb 1.16 0.03 0.08 0.00 1.11 0.00 0.00 29.97 32.35 2d8k h ARG 104 CO 0.65 0.19 0.19 1.19 0.10 0.00 0.00 179.97 182.29 2d8k n PHE 105 N -5.00 -3.77 -0.89 4.08 3.72 -1.26 -4.92 117.46 109.41 2d8k n PHE 105 Ca -0.09 -0.73 -0.11 0.00 -0.05 0.00 0.00 57.45 56.47 2d8k n PHE 105 Cb 0.21 -0.52 -0.06 0.00 -0.94 0.00 0.00 39.48 38.17 2d8k n PHE 105 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2d8k n SER 106 N -3.33 5.71 -3.61 4.37 2.88 -1.26 -4.58 113.62 113.80 2d8k n SER 106 Ca 0.09 -2.69 -0.27 0.00 -1.33 0.00 0.00 58.87 54.67 2d8k n SER 106 Cb 0.32 -1.22 -0.11 0.00 -0.75 0.00 0.00 64.21 62.45 2d8k n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2d8k n ARG 107 N 1.49 1.21 -3.46 -1.46 5.12 -1.26 -5.09 116.66 113.22 2d8k n ARG 107 Ca 0.27 -3.93 -0.38 0.00 -1.93 0.00 0.00 57.85 51.89 2d8k n ARG 107 Cb 0.66 -1.98 -0.08 0.00 -1.16 0.00 0.00 32.46 29.90 2d8k n ARG 107 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2d8k s ASN 108 N -0.98 6.32 -0.44 0.55 -0.87 -1.26 -4.68 114.94 113.58 2d8k s ASN 108 Ca 0.30 0.37 -0.17 0.00 -1.57 0.00 0.00 52.86 51.79 2d8k s ASN 108 Cb 0.02 -2.20 0.03 0.00 -0.02 0.00 0.00 41.25 39.09 2d8k s ASN 108 CO -0.16 -0.06 0.41 -1.81 -2.57 0.00 0.00 177.10 172.91 2d8k s ASP 109 N 1.16 6.17 0.29 -1.22 1.11 -1.26 -5.06 116.67 117.87 2d8k s ASP 109 Ca 0.15 -0.88 -0.29 0.00 0.18 0.00 0.00 52.55 51.71 2d8k s ASP 109 Cb -0.15 -2.21 -0.10 0.00 1.07 0.00 0.00 42.92 41.54 2d8k s ASP 109 CO 0.07 -0.59 1.24 -2.16 1.18 0.00 0.00 175.17 174.92 2d8k s PRO 110 N 1.97 4.45 -0.26 8.23 0.04 -1.26 -3.82 135.00 144.35 2d8k s PRO 110 Ca 0.09 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 2d8k s PRO 110 Cb -0.19 -3.13 -0.16 0.00 0.04 0.00 0.00 34.50 31.06 2d8k s PRO 110 CO 0.11 -0.07 -0.25 -0.89 0.04 0.00 0.00 177.00 175.94 2d8k n ILE 111 N 1.24 1.51 -3.72 0.56 5.41 -1.19 -4.84 119.36 118.32 2d8k n ILE 111 Ca 0.01 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.30 2d8k n ILE 111 Cb 0.43 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2d8k n ILE 111 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2d8k s GLY 112 N -6.11 -0.40 0.34 7.39 0.00 -0.75 -4.14 107.32 103.64 2d8k s GLY 112 Ca -0.36 0.67 -0.17 0.00 0.00 0.00 0.00 44.72 44.86 2d8k s GLY 112 CO 0.57 2.38 0.84 -1.83 0.00 0.00 0.00 173.10 175.05 2d8k s GLU 113 N -2.04 2.04 0.05 2.90 4.04 -1.10 0.62 118.70 125.21 2d8k s GLU 113 Ca 0.21 -1.31 -0.01 0.00 0.04 0.00 0.00 54.97 53.90 2d8k s GLU 113 Cb 0.05 0.58 -0.04 0.00 0.02 0.00 0.00 34.13 34.74 2d8k s GLU 113 CO -0.05 -0.96 -0.03 0.08 -1.84 0.00 0.00 175.26 172.46 2d8k s VAL 114 N -2.35 0.21 -0.11 1.83 1.01 0.18 -0.63 120.40 120.55 2d8k s VAL 114 Ca 0.16 -1.76 -0.03 0.00 0.00 0.00 0.00 61.98 60.35 2d8k s VAL 114 Cb -0.05 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.92 2d8k s VAL 114 CO 0.10 -0.97 0.05 -0.94 0.00 0.00 0.00 175.10 173.34 2d8k s SER 115 N -2.85 1.89 -0.07 3.32 1.04 -1.26 -2.77 113.70 113.00 2d8k s SER 115 Ca 0.06 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 2d8k s SER 115 Cb 0.07 -0.32 0.04 0.00 0.10 0.00 0.00 66.02 65.92 2d8k s SER 115 CO -0.10 -0.27 0.14 -0.63 0.98 0.00 0.00 173.24 173.37 2d8k s ILE 116 N 2.06 -0.20 0.08 -1.02 1.01 -1.08 -5.03 121.20 117.01 2d8k s ILE 116 Ca 0.03 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.70 2d8k s ILE 116 Cb -0.14 -0.27 -0.07 0.00 0.01 0.00 0.00 42.46 41.99 2d8k s ILE 116 CO -0.06 0.14 1.39 -2.16 0.00 0.00 0.00 174.94 174.24 2d8k s PRO 117 N 2.04 4.32 0.00 2.79 0.04 -1.26 -1.22 135.00 141.70 2d8k s PRO 117 Ca 0.01 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.17 2d8k s PRO 117 Cb -0.12 -3.35 0.42 0.00 0.04 0.00 0.00 34.50 31.49 2d8k s PRO 117 CO -0.05 -0.47 1.24 1.28 0.04 0.00 0.00 177.00 179.04 2d8k n LEU 118 N 4.37 0.00 0.14 -3.56 4.77 -1.09 -1.45 117.00 120.17 2d8k n LEU 118 Ca 0.12 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 2d8k n LEU 118 Cb 0.43 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2d8k n LEU 118 CO 0.58 -0.29 0.32 -1.13 -1.33 0.00 0.00 177.39 175.55 2d8k h ASN 119 N 0.00 0.00 0.09 -1.43 -1.24 -1.71 -3.35 115.58 107.94 2d8k h ASN 119 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.76 2d8k h ASN 119 Cb 0.13 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 2d8k h ASN 119 CO 0.00 0.20 -1.26 0.11 -1.29 0.00 0.00 177.43 175.19 2d8k h LYS 120 N 0.00 0.20 -6.73 6.67 1.79 -1.58 -3.46 116.57 113.46 2d8k h LYS 120 Ca -0.03 -0.34 -0.52 0.00 -2.18 0.00 0.00 60.65 57.58 2d8k h LYS 120 Cb 1.17 0.13 0.05 0.00 -1.58 0.00 0.00 32.23 32.00 2d8k h LYS 120 CO 0.02 1.16 0.69 0.54 -1.08 0.00 0.00 179.45 180.78 2d8k s VAL 121 N -2.44 2.94 -1.14 0.50 0.11 -1.18 -4.89 120.40 114.31 2d8k s VAL 121 Ca -0.21 0.80 -0.23 0.00 -2.93 0.00 0.00 61.98 59.42 2d8k s VAL 121 Cb 0.04 -3.51 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 2d8k s VAL 121 CO 0.74 0.13 1.94 -1.81 -3.33 0.00 0.00 175.10 172.78 2d8k s ASP 122 N 0.21 5.02 0.67 3.54 1.01 -1.26 -4.72 116.67 121.13 2d8k s ASP 122 Ca 0.56 -1.49 0.42 0.00 0.71 0.00 0.00 52.55 52.75 2d8k s ASP 122 Cb -0.39 -2.58 2.31 0.00 1.01 0.00 0.00 42.92 43.27 2d8k s ASP 122 CO 0.42 -3.06 2.30 -0.07 0.21 0.00 0.00 175.17 174.97 2d8k h LEU 123 N 17.86 0.00 -1.81 1.23 3.38 -1.90 -2.40 115.31 131.67 2d8k h LEU 123 Ca 0.19 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.48 2d8k h LEU 123 Cb 0.95 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2d8k h LEU 123 CO 1.22 0.00 0.92 0.71 0.09 0.00 0.00 178.44 181.38 2d8k h THR 124 N 0.00 0.26 -3.72 0.22 1.35 -1.84 -3.06 112.91 106.13 2d8k h THR 124 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 2d8k h THR 124 Cb 0.11 0.32 -0.09 0.00 -1.73 0.00 0.00 68.15 66.76 2d8k h THR 124 CO -0.00 0.00 -0.14 -1.10 -0.25 0.00 0.00 175.52 174.03 2d8k s GLN 125 N -4.76 1.57 0.05 4.72 -0.21 -0.90 -4.96 119.66 115.15 2d8k s GLN 125 Ca -0.04 -1.31 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 2d8k s GLN 125 Cb 0.20 0.46 -0.05 0.00 1.00 0.00 0.00 33.01 34.63 2d8k s GLN 125 CO 0.70 -0.65 1.12 1.41 -2.12 0.00 0.00 175.29 175.75 2d8k s MET 126 N -3.93 4.49 -0.05 2.91 -2.45 -1.26 -4.56 119.30 114.44 2d8k s MET 126 Ca 0.24 1.65 -0.02 0.00 -1.25 0.00 0.00 55.69 56.30 2d8k s MET 126 Cb -0.00 -3.38 0.03 0.00 1.25 0.00 0.00 34.83 32.73 2d8k s MET 126 CO 0.10 -0.17 0.08 -0.65 1.05 0.00 0.00 175.02 175.43 2d8k s GLN 127 N 0.97 -0.03 0.32 4.11 -1.52 -0.95 -5.00 119.66 117.56 2d8k s GLN 127 Ca 0.56 0.36 -0.27 0.00 -1.95 0.00 0.00 55.36 54.05 2d8k s GLN 127 Cb -0.27 -0.35 -0.09 0.00 -0.22 0.00 0.00 33.01 32.08 2d8k s GLN 127 CO 0.29 -0.26 1.08 0.99 -0.25 0.00 0.00 175.29 177.14 2d8k s THR 128 N 1.77 3.58 -0.04 -0.19 2.01 -1.26 -2.51 115.64 118.99 2d8k s THR 128 Ca -0.01 1.44 0.05 0.00 0.31 0.00 0.00 61.69 63.48 2d8k s THR 128 Cb -0.12 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2d8k s THR 128 CO -0.04 0.23 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.59 2d8k s PHE 129 N -1.35 1.72 -0.27 4.92 0.40 -0.75 -4.99 117.98 117.66 2d8k s PHE 129 Ca 0.49 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 2d8k s PHE 129 Cb -0.28 -1.15 0.07 0.00 0.51 0.00 0.00 43.02 42.18 2d8k s PHE 129 CO 0.36 -0.13 -0.02 -1.58 0.70 0.00 0.00 175.22 174.55 2d8k s TRP 130 N -0.08 2.70 0.18 0.36 0.52 -1.26 -2.74 118.94 118.62 2d8k s TRP 130 Ca -0.01 -2.10 0.07 0.00 0.02 0.00 0.00 56.10 54.08 2d8k s TRP 130 Cb -0.10 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2d8k s TRP 130 CO 0.02 -0.84 -0.14 0.15 0.02 0.00 0.00 176.95 176.15 2d8k s LYS 131 N 1.28 1.25 -0.42 4.98 -0.14 -1.15 -5.02 119.74 120.53 2d8k s LYS 131 Ca -0.00 -1.52 -0.16 0.00 -1.36 0.00 0.00 55.97 52.93 2d8k s LYS 131 Cb -0.19 -1.03 0.03 0.00 -1.68 0.00 0.00 37.83 34.96 2d8k s LYS 131 CO -0.09 0.17 0.36 0.16 -0.76 0.00 0.00 175.35 175.19 2d8k s ASP 132 N -3.15 6.14 -0.43 2.83 1.47 -1.26 -1.14 116.67 121.13 2d8k s ASP 132 Ca 0.20 -0.90 -0.34 0.00 1.18 0.00 0.00 52.55 52.69 2d8k s ASP 132 Cb -0.01 -2.18 -0.15 0.00 -0.34 0.00 0.00 42.92 40.23 2d8k s ASP 132 CO 0.05 -0.52 1.74 0.18 0.68 0.00 0.00 175.17 177.31 2d8k n LEU 133 N 5.31 0.57 -4.71 2.11 4.77 -0.62 -4.84 117.00 119.58 2d8k n LEU 133 Ca -0.10 0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 56.07 2d8k n LEU 133 Cb 0.47 -0.72 0.13 0.00 -2.33 0.00 0.00 43.42 40.97 2d8k n LEU 133 CO 0.43 -0.61 0.71 -0.54 -1.33 0.00 0.00 177.39 176.05 2d8k s LYS 134 N 4.98 1.61 -0.56 3.23 -0.14 0.20 -4.56 119.74 124.50 2d8k s LYS 134 Ca 0.97 1.47 -0.27 0.00 -1.36 0.00 0.00 55.97 56.78 2d8k s LYS 134 Cb -1.18 -1.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.15 2d8k s LYS 134 CO 0.51 -2.18 1.83 -1.25 -0.76 0.00 0.00 175.35 173.51 2d8k s PRO 135 N -4.58 2.77 -0.05 -1.68 0.04 -1.26 -2.70 135.00 127.54 2d8k s PRO 135 Ca 0.66 0.74 -0.19 0.00 0.04 0.00 0.00 61.00 62.25 2d8k s PRO 135 Cb -0.22 -4.35 -0.05 0.00 0.04 0.00 0.00 34.50 29.92 2d8k s PRO 135 CO 0.55 -2.56 0.52 0.45 0.04 0.00 0.00 177.00 176.00 2d8k s SER 136 N 7.63 6.83 0.22 6.66 0.15 -1.26 -4.99 113.70 128.94 2d8k s SER 136 Ca 0.69 0.99 0.11 0.00 0.70 0.00 0.00 55.95 58.44 2d8k s SER 136 Cb -0.14 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2d8k s SER 136 CO 0.23 0.09 -0.20 -0.83 1.20 0.00 0.00 173.24 173.72 2d8k s GLY 137 N 0.05 1.76 -0.39 9.45 0.00 -1.26 -4.79 107.32 112.14 2d8k s GLY 137 Ca 0.28 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 43.03 2d8k s GLY 137 CO 0.14 -1.74 1.73 2.56 0.00 0.00 0.00 173.10 175.79 2d8k s PRO 138 N -2.97 3.29 0.40 2.90 0.04 -1.26 -4.99 135.00 132.41 2d8k s PRO 138 Ca 0.24 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2d8k s PRO 138 Cb -0.07 -4.19 -0.07 0.00 0.04 0.00 0.00 34.50 30.21 2d8k s PRO 138 CO 0.12 -1.91 0.06 0.45 0.04 0.00 0.00 177.00 175.76 2d8k s SER 139 N 5.91 4.08 0.36 6.66 0.15 -1.26 -5.09 113.70 124.50 2d8k s SER 139 Ca 0.74 -1.24 -0.25 0.00 0.70 0.00 0.00 55.95 55.90 2d8k s SER 139 Cb -0.19 -0.43 -0.13 0.00 -1.71 0.00 0.00 66.02 63.55 2d8k s SER 139 CO 0.32 -0.46 0.70 -0.24 1.20 0.00 0.00 173.24 174.75 2d8k n SER 140 N -1.05 -0.21 0.00 5.45 2.88 -1.26 -5.28 113.62 114.14 2d8k n SER 140 Ca -0.04 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.64 2d8k n SER 140 Cb 0.66 -1.15 0.71 0.00 -0.75 0.00 0.00 64.21 63.68 2d8k n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42