#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8k n SER 2 N 0.00 -4.20 -0.09 1.61 2.88 -1.26 -4.97 113.62 107.59 2d8k n SER 2 Ca 0.00 -0.35 -0.10 0.00 -1.33 0.00 0.00 58.87 57.09 2d8k n SER 2 Cb 0.00 -3.40 -0.04 0.00 -0.75 0.00 0.00 64.21 60.03 2d8k n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8k n SER 3 N -1.58 1.89 -0.15 -3.46 2.88 -1.26 -5.12 113.62 106.81 2d8k n SER 3 Ca -0.03 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2d8k n SER 3 Cb 0.55 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2d8k n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8k n GLY 4 N 1.50 -3.42 3.46 0.46 0.00 -1.26 -4.96 105.19 100.97 2d8k n GLY 4 Ca -0.16 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 2d8k n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8k n SER 5 N -0.35 -1.23 -4.18 1.61 3.41 -1.26 -5.00 113.62 106.61 2d8k n SER 5 Ca 0.00 0.65 -0.26 0.00 -0.26 0.00 0.00 58.87 59.01 2d8k n SER 5 Cb 0.00 -1.19 -0.15 0.00 -0.26 0.00 0.00 64.21 62.61 2d8k n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d8k s SER 6 N -1.32 2.17 -0.09 4.04 0.15 -1.26 -5.08 113.70 112.30 2d8k s SER 6 Ca 0.66 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 57.00 2d8k s SER 6 Cb -0.39 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.68 2d8k s SER 6 CO 0.57 0.23 -0.13 -0.83 1.20 0.00 0.00 173.24 174.27 2d8k s GLY 7 N -0.42 0.92 -0.36 9.45 0.00 -1.26 -5.11 107.32 110.54 2d8k s GLY 7 Ca 0.07 -0.57 -0.15 0.00 0.00 0.00 0.00 44.72 44.07 2d8k s GLY 7 CO -0.01 0.21 0.33 -1.35 0.00 0.00 0.00 173.10 172.29 2d8k s SER 8 N 0.88 6.14 -1.63 1.64 1.04 -1.26 -4.49 113.70 116.02 2d8k s SER 8 Ca -0.10 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 55.82 2d8k s SER 8 Cb -0.15 -2.18 0.08 0.00 0.10 0.00 0.00 66.02 63.87 2d8k s SER 8 CO 0.01 -0.36 0.31 0.54 0.98 0.00 0.00 173.24 174.72 2d8k n ARG 9 N 5.30 -1.52 -1.74 4.02 1.74 -1.26 -4.81 116.66 118.40 2d8k n ARG 9 Ca -0.10 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 2d8k n ARG 9 Cb 0.49 -4.19 -0.02 0.00 -1.02 0.00 0.00 32.46 27.72 2d8k n ARG 9 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2d8k n GLU 10 N -4.41 2.67 -1.74 5.56 1.02 -1.26 -4.82 120.64 117.66 2d8k n GLU 10 Ca -0.17 0.95 -0.29 0.00 -0.02 0.00 0.00 57.16 57.64 2d8k n GLU 10 Cb 0.61 -2.74 -0.08 0.00 -0.02 0.00 0.00 31.44 29.21 2d8k n GLU 10 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2d8k n ASN 11 N 2.51 2.52 0.01 1.62 0.23 -1.26 -4.57 115.26 116.32 2d8k n ASN 11 Ca 0.10 -2.64 -0.12 0.00 -0.53 0.00 0.00 54.58 51.39 2d8k n ASN 11 Cb 0.36 -1.57 -0.14 0.00 -2.08 0.00 0.00 39.78 36.35 2d8k n ASN 11 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2d8k h LEU 12 N 18.19 0.15 0.00 -4.53 3.38 -1.84 -3.40 115.31 127.25 2d8k h LEU 12 Ca 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2d8k h LEU 12 Cb 0.90 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2d8k h LEU 12 CO 1.34 1.24 0.00 0.61 0.09 0.00 0.00 178.44 181.71 2d8k n GLY 13 N 1.62 -0.76 3.21 0.83 0.00 -0.96 -4.09 105.19 105.05 2d8k n GLY 13 Ca -0.17 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 0.96 -0.03 1.61 1.70 -0.87 -0.83 118.95 121.49 2d8k s ARG 14 Ca 0.00 -1.42 0.02 0.00 -0.47 0.00 0.00 55.73 53.86 2d8k s ARG 14 Cb 0.00 -0.29 0.01 0.00 -0.57 0.00 0.00 34.95 34.10 2d8k s ARG 14 CO 0.00 -0.04 -0.07 -1.50 -1.08 0.00 0.00 175.30 172.60 2d8k s ILE 15 N -3.59 0.70 -0.23 4.99 2.07 -0.66 -2.78 121.20 121.70 2d8k s ILE 15 Ca 0.17 -0.28 -0.06 0.00 -1.41 0.00 0.00 60.65 59.07 2d8k s ILE 15 Cb 0.05 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 2d8k s ILE 15 CO -0.01 0.24 0.02 -1.58 -1.91 0.00 0.00 174.94 171.69 2d8k s GLN 16 N 0.43 3.53 0.04 3.50 0.74 -1.09 -3.50 119.66 123.32 2d8k s GLN 16 Ca -0.06 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 2d8k s GLN 16 Cb -0.11 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 2d8k s GLN 16 CO 0.01 -0.18 -0.03 -0.59 -0.55 0.00 0.00 175.29 173.94 2d8k s PHE 17 N 1.52 0.47 0.06 1.67 -0.71 -1.18 -1.40 117.98 118.42 2d8k s PHE 17 Ca 0.06 -0.92 0.05 0.00 -1.04 0.00 0.00 56.93 55.08 2d8k s PHE 17 Cb -0.15 -0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2d8k s PHE 17 CO 0.00 -0.32 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.99 2d8k s SER 18 N -2.54 4.82 -0.06 1.98 1.04 0.85 -1.80 113.70 117.99 2d8k s SER 18 Ca 0.01 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2d8k s SER 18 Cb 0.03 -1.11 0.01 0.00 0.10 0.00 0.00 66.02 65.05 2d8k s SER 18 CO -0.07 0.21 -0.10 -0.69 0.98 0.00 0.00 173.24 173.56 2d8k s VAL 19 N -1.20 0.98 -0.30 5.02 1.01 -1.07 -2.65 120.40 122.20 2d8k s VAL 19 Ca 0.22 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 2d8k s VAL 19 Cb -0.11 -0.92 0.15 0.00 0.00 0.00 0.00 36.38 35.50 2d8k s VAL 19 CO 0.14 0.32 0.91 -0.83 0.00 0.00 0.00 175.10 175.64 2d8k s GLY 20 N 0.68 -0.30 -0.18 4.51 0.00 -0.87 -2.82 107.32 108.34 2d8k s GLY 20 Ca -0.13 2.89 -0.02 0.00 0.00 0.00 0.00 44.72 47.46 2d8k s GLY 20 CO 0.03 3.10 -0.10 -0.47 0.00 0.00 0.00 173.10 175.66 2d8k s TYR 21 N 2.38 2.88 0.27 1.90 6.14 -1.19 0.15 117.35 129.88 2d8k s TYR 21 Ca -0.04 -0.96 -0.29 0.00 0.64 0.00 0.00 57.07 56.42 2d8k s TYR 21 Cb -0.07 -1.99 -0.09 0.00 0.42 0.00 0.00 41.96 40.23 2d8k s TYR 21 CO -0.18 -0.48 0.99 -0.80 0.64 0.00 0.00 175.55 175.73 2d8k s ASN 22 N 1.06 7.48 -0.10 4.32 -0.87 -0.10 -4.50 114.94 122.22 2d8k s ASN 22 Ca 0.00 2.03 -0.04 0.00 -1.57 0.00 0.00 52.86 53.28 2d8k s ASN 22 Cb -0.15 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 2d8k s ASN 22 CO -0.02 0.03 0.12 -0.26 -2.57 0.00 0.00 177.10 174.40 2d8k h PHE 23 N 3.89 -0.01 -0.95 2.20 -1.00 -1.95 -0.50 116.94 118.62 2d8k h PHE 23 Ca -0.46 -0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.37 2d8k h PHE 23 Cb 1.20 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.71 2d8k h PHE 23 CO 0.60 0.12 0.61 1.96 -1.61 0.00 0.00 178.31 180.00 2d8k h GLN 24 N -1.00 1.12 0.00 1.51 4.20 -1.99 -0.64 115.11 118.31 2d8k h GLN 24 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2d8k h GLN 24 Cb 0.14 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2d8k h GLN 24 CO 0.00 0.74 -0.25 0.39 -0.67 0.00 0.00 178.83 179.05 2d8k n GLU 25 N -4.51 0.10 -4.20 1.46 -0.58 -1.26 -4.95 120.64 106.70 2d8k n GLU 25 Ca 0.13 0.05 -0.36 0.00 -0.42 0.00 0.00 57.16 56.56 2d8k n GLU 25 Cb 0.13 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 2d8k n GLU 25 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2d8k n SER 26 N -1.74 -1.01 -3.99 1.62 7.64 -0.22 -4.94 113.62 110.98 2d8k n SER 26 Ca 0.06 -1.27 -0.09 0.00 1.01 0.00 0.00 58.87 58.58 2d8k n SER 26 Cb 0.37 -1.73 -0.11 0.00 -1.01 0.00 0.00 64.21 61.73 2d8k n SER 26 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2d8k s THR 27 N -4.05 0.14 -0.17 0.44 2.01 -1.06 -4.49 115.64 108.46 2d8k s THR 27 Ca 0.18 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 2d8k s THR 27 Cb -0.10 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 2d8k s THR 27 CO 0.98 -0.52 0.24 -0.22 -0.69 0.00 0.00 174.62 174.41 2d8k s LEU 28 N -1.54 4.24 -0.30 4.42 2.96 -1.21 -0.92 118.68 126.33 2d8k s LEU 28 Ca -0.15 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.16 2d8k s LEU 28 Cb -0.09 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.36 2d8k s LEU 28 CO -0.01 0.14 0.01 -0.89 -1.32 0.00 0.00 176.35 174.28 2d8k s THR 29 N 0.37 3.22 -0.28 3.68 2.01 0.12 -2.24 115.64 122.52 2d8k s THR 29 Ca 0.14 -1.19 0.01 0.00 0.31 0.00 0.00 61.69 60.96 2d8k s THR 29 Cb -0.12 -2.78 0.06 0.00 0.01 0.00 0.00 72.50 69.67 2d8k s THR 29 CO 0.02 -0.04 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.16 2d8k s VAL 30 N 1.32 2.49 -0.24 3.82 1.01 -1.16 -2.04 120.40 125.59 2d8k s VAL 30 Ca -0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 61.98 60.33 2d8k s VAL 30 Cb -0.19 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2d8k s VAL 30 CO -0.01 -0.07 0.04 -0.75 0.00 0.00 0.00 175.10 174.32 2d8k s LYS 31 N 1.16 3.55 -0.75 2.72 2.20 -1.08 -2.72 119.74 124.80 2d8k s LYS 31 Ca -0.07 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 54.80 2d8k s LYS 31 Cb -0.20 -3.25 0.11 0.00 -1.51 0.00 0.00 37.83 32.99 2d8k s LYS 31 CO -0.04 -0.21 0.94 0.42 -0.36 0.00 0.00 175.35 176.10 2d8k s ILE 32 N 1.57 4.70 0.00 5.43 -1.09 -1.18 -0.11 121.20 130.52 2d8k s ILE 32 Ca 0.06 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 2d8k s ILE 32 Cb -0.15 -4.65 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 2d8k s ILE 32 CO 0.02 -1.35 0.71 0.23 -1.23 0.00 0.00 174.94 173.31 2d8k n MET 33 N 6.64 0.00 -3.81 2.79 2.81 -0.49 0.49 117.12 125.54 2d8k n MET 33 Ca 0.06 0.55 -0.01 0.00 -1.81 0.00 0.00 57.70 56.49 2d8k n MET 33 Cb 0.46 -1.21 0.02 0.00 -0.71 0.00 0.00 33.22 31.78 2d8k n MET 33 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2d8k n LYS 34 N -1.61 0.48 -4.32 0.03 0.00 -1.20 -1.79 118.16 109.74 2d8k n LYS 34 Ca 0.00 -1.21 -0.24 0.00 -0.00 0.00 0.00 58.31 56.87 2d8k n LYS 34 Cb 0.00 1.70 -0.13 0.00 -0.00 0.00 0.00 35.03 36.61 2d8k n LYS 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2d8k s ALA 35 N -1.99 1.75 0.05 0.58 0.00 -1.03 -2.66 121.76 118.46 2d8k s ALA 35 Ca 0.24 -1.20 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 2d8k s ALA 35 Cb -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2d8k s ALA 35 CO 0.03 0.35 0.16 -0.65 0.00 0.00 0.00 175.76 175.65 2d8k s GLN 36 N -1.79 0.70 -1.10 0.00 -0.21 -1.12 -4.02 119.66 112.12 2d8k s GLN 36 Ca 0.06 -0.76 -0.06 0.00 0.02 0.00 0.00 55.36 54.61 2d8k s GLN 36 Cb -0.10 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.20 2d8k s GLN 36 CO 0.04 -0.20 0.95 0.39 -2.12 0.00 0.00 175.29 174.35 2d8k n GLU 37 N 0.50 -6.38 -3.40 2.91 1.02 -1.26 -2.04 120.64 111.98 2d8k n GLU 37 Ca -0.18 0.69 -0.37 0.00 -0.02 0.00 0.00 57.16 57.27 2d8k n GLU 37 Cb 0.60 -5.29 -0.06 0.00 -0.02 0.00 0.00 31.44 26.66 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 -6.09 4.30 0.70 -4.62 1.43 -1.26 -2.26 118.68 110.89 2d8k s LEU 38 Ca 0.39 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 2d8k s LEU 38 Cb -0.17 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.47 2d8k s LEU 38 CO 0.60 0.08 1.10 -2.16 0.23 0.00 0.00 176.35 176.21 2d8k s PRO 39 N 0.29 2.58 -0.54 1.29 0.04 -1.26 -4.91 135.00 132.49 2d8k s PRO 39 Ca 0.23 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 2d8k s PRO 39 Cb -0.15 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.52 2d8k s PRO 39 CO 0.09 -1.41 0.74 0.00 0.04 0.00 0.00 177.00 176.46 2d8k s ALA 40 N -2.56 3.31 -0.26 8.56 0.00 -1.26 -4.81 121.76 124.74 2d8k s ALA 40 Ca 0.65 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 2d8k s ALA 40 Cb -0.19 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 2d8k s ALA 40 CO 0.47 -2.20 2.85 1.63 0.00 0.00 0.00 175.76 178.52 2d8k n LYS 41 N 6.65 2.07 -3.26 0.00 4.76 -1.26 -4.70 118.16 122.42 2d8k n LYS 41 Ca -0.04 -1.63 0.03 0.00 -2.87 0.00 0.00 58.31 53.80 2d8k n LYS 41 Cb 0.46 -1.92 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 2d8k n LYS 41 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2d8k s ASP 42 N 0.95 -0.46 0.31 4.39 2.15 -1.26 -4.86 116.67 117.89 2d8k s ASP 42 Ca 0.52 0.48 0.16 0.00 0.43 0.00 0.00 52.55 54.15 2d8k s ASP 42 Cb 0.31 1.46 1.11 0.00 -0.30 0.00 0.00 42.92 45.50 2d8k s ASP 42 CO -0.10 -0.09 1.36 0.33 -0.17 0.00 0.00 175.17 176.50 2d8k n PHE 43 N 5.10 0.96 -0.36 -5.34 7.35 -1.26 0.22 117.46 124.12 2d8k n PHE 43 Ca -0.08 1.02 0.04 0.00 -0.76 0.00 0.00 57.45 57.67 2d8k n PHE 43 Cb 0.53 -1.40 0.11 0.00 0.35 0.00 0.00 39.48 39.08 2d8k n PHE 43 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2d8k h SER 44 N 0.00 -1.04 0.00 -2.13 0.87 -1.96 -3.45 113.55 105.85 2d8k h SER 44 Ca 0.71 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 61.56 2d8k h SER 44 Cb 1.84 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 64.44 2d8k h SER 44 CO -0.68 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 175.92 2d8k n GLY 45 N -1.58 1.00 3.18 5.77 0.00 0.13 -5.13 105.19 108.56 2d8k n GLY 45 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.69 0.27 2.61 -1.32 -1.25 -4.74 115.64 111.89 2d8k s THR 46 Ca 0.00 -1.94 0.03 0.00 -1.21 0.00 0.00 61.69 58.57 2d8k s THR 46 Cb 0.00 -1.73 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 2d8k s THR 46 CO 0.00 -0.83 0.19 -0.44 -2.21 0.00 0.00 174.62 171.33 2d8k s SER 47 N -3.06 0.97 -0.89 8.08 0.01 -1.26 -4.35 113.70 113.19 2d8k s SER 47 Ca 0.13 -1.56 -0.05 0.00 1.31 0.00 0.00 55.95 55.78 2d8k s SER 47 Cb 0.05 0.45 0.22 0.00 0.21 0.00 0.00 66.02 66.95 2d8k s SER 47 CO -0.04 -0.93 0.80 1.51 0.41 0.00 0.00 173.24 174.99 2d8k s ASP 48 N -3.28 6.27 0.49 2.44 1.47 -1.26 -2.91 116.67 119.88 2d8k s ASP 48 Ca 0.39 -3.43 -0.22 0.00 1.18 0.00 0.00 52.55 50.47 2d8k s ASP 48 Cb 0.05 -2.00 -0.07 0.00 -0.34 0.00 0.00 42.92 40.56 2d8k s ASP 48 CO 0.19 -0.28 1.15 -2.16 0.68 0.00 0.00 175.17 174.75 2d8k s PRO 49 N -0.94 3.63 -0.12 2.11 0.04 -1.23 -2.62 135.00 135.87 2d8k s PRO 49 Ca 0.25 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 2d8k s PRO 49 Cb -0.10 -2.28 0.04 0.00 0.04 0.00 0.00 34.50 32.20 2d8k s PRO 49 CO -0.10 -0.64 0.45 -0.59 0.04 0.00 0.00 177.00 176.16 2d8k s PHE 50 N -1.62 -0.45 0.49 0.56 -0.12 -0.03 -3.29 117.98 113.52 2d8k s PHE 50 Ca 0.66 1.00 -0.05 0.00 -0.05 0.00 0.00 56.93 58.50 2d8k s PHE 50 Cb -0.27 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 2d8k s PHE 50 CO 0.32 -0.31 0.79 0.08 -0.05 0.00 0.00 175.22 176.05 2d8k s VAL 51 N -0.26 4.82 -0.11 -2.49 1.01 -1.26 -1.66 120.40 120.45 2d8k s VAL 51 Ca -0.04 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2d8k s VAL 51 Cb -0.03 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2d8k s VAL 51 CO 0.02 -0.82 0.10 -0.75 0.00 0.00 0.00 175.10 173.65 2d8k s LYS 52 N -4.76 0.01 -0.14 2.72 2.20 0.10 -2.91 119.74 116.97 2d8k s LYS 52 Ca 0.48 0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 56.13 2d8k s LYS 52 Cb -0.10 -1.01 -0.04 0.00 -1.51 0.00 0.00 37.83 35.17 2d8k s LYS 52 CO 0.45 -0.48 0.47 0.42 -0.36 0.00 0.00 175.35 175.85 2d8k s ILE 53 N 2.19 5.18 -0.06 5.43 1.01 0.83 -2.12 121.20 133.66 2d8k s ILE 53 Ca 0.04 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 2d8k s ILE 53 Cb -0.14 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.56 2d8k s ILE 53 CO -0.06 0.30 0.07 -0.31 0.00 0.00 0.00 174.94 174.94 2d8k s TYR 54 N 0.80 0.06 -1.25 3.97 1.51 -0.70 -2.35 117.35 119.40 2d8k s TYR 54 Ca 0.25 0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 56.40 2d8k s TYR 54 Cb -0.15 -0.49 0.17 0.00 -0.11 0.00 0.00 41.96 41.37 2d8k s TYR 54 CO 0.10 -0.23 1.66 1.28 -1.11 0.00 0.00 175.55 177.24 2d8k n LEU 55 N 5.30 5.92 -4.75 -1.29 4.77 -1.26 -1.82 117.00 123.88 2d8k n LEU 55 Ca -0.04 -4.54 -0.36 0.00 -0.03 0.00 0.00 56.01 51.05 2d8k n LEU 55 Cb 0.50 -1.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.08 2d8k n LEU 55 CO 0.06 1.04 0.83 -0.76 -1.33 0.00 0.00 177.39 177.23 2d8k s LEU 56 N 0.77 3.59 -0.02 2.23 1.43 -1.13 -2.87 118.68 122.68 2d8k s LEU 56 Ca 0.41 2.37 -0.25 0.00 -1.03 0.00 0.00 54.13 55.63 2d8k s LEU 56 Cb 0.03 -4.59 -0.20 0.00 0.03 0.00 0.00 46.19 41.46 2d8k s LEU 56 CO 0.00 -1.72 1.27 1.55 0.23 0.00 0.00 176.35 177.68 2d8k h PRO 57 N 0.62 0.03 -3.75 1.29 0.13 -1.90 -0.66 132.00 127.77 2d8k h PRO 57 Ca -0.50 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.09 2d8k h PRO 57 Cb 1.30 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2d8k h PRO 57 CO 0.54 0.51 0.23 -0.25 -0.23 0.00 0.00 178.00 178.81 2d8k n ASP 58 N -4.83 0.37 -1.30 1.44 9.92 -1.14 -4.83 116.55 116.19 2d8k n ASP 58 Ca -0.08 0.73 -0.07 0.00 -0.53 0.00 0.00 54.79 54.84 2d8k n ASP 58 Cb 0.26 -0.56 0.19 0.00 -0.64 0.00 0.00 41.12 40.37 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2d8k n LYS 59 N 1.71 1.91 0.00 -1.24 5.02 -1.26 -4.06 118.16 120.24 2d8k n LYS 59 Ca 0.16 -3.21 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 2d8k n LYS 59 Cb 0.01 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2d8k n LYS 59 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2d8k n LYS 60 N -1.12 0.00 -1.16 1.97 3.00 -1.26 -4.71 118.16 114.88 2d8k n LYS 60 Ca 0.36 0.02 -0.37 0.00 -0.00 0.00 0.00 58.31 58.33 2d8k n LYS 60 Cb 1.09 -0.31 -0.09 0.00 0.00 0.00 0.00 35.03 35.72 2d8k n LYS 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2d8k n HIS 61 N -1.99 1.28 -4.39 5.64 8.25 -1.26 -4.85 115.22 117.90 2d8k n HIS 61 Ca 0.00 -1.09 -0.28 0.00 -0.26 0.00 0.00 57.72 56.09 2d8k n HIS 61 Cb 0.00 -1.69 -0.13 0.00 1.12 0.00 0.00 29.99 29.30 2d8k n HIS 61 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2d8k s LYS 62 N 6.41 1.40 0.30 -0.41 -2.85 -1.26 -4.32 119.74 119.00 2d8k s LYS 62 Ca 0.67 -1.37 0.03 0.00 -1.00 0.00 0.00 55.97 54.30 2d8k s LYS 62 Cb 0.09 -1.85 -0.04 0.00 -2.06 0.00 0.00 37.83 33.98 2d8k s LYS 62 CO 0.21 0.43 0.17 -0.51 0.10 0.00 0.00 175.35 175.75 2d8k s LEU 63 N -2.15 1.63 0.05 2.77 1.02 -0.99 -5.03 118.68 115.97 2d8k s LEU 63 Ca 0.15 -1.56 -0.13 0.00 0.02 0.00 0.00 54.13 52.60 2d8k s LEU 63 Cb -0.10 0.25 0.02 0.00 0.02 0.00 0.00 46.19 46.39 2d8k s LEU 63 CO 0.06 -0.90 0.29 -0.70 0.02 0.00 0.00 176.35 175.12 2d8k s GLU 64 N -3.81 0.81 0.06 1.70 -6.30 -1.26 -0.12 118.70 109.77 2d8k s GLU 64 Ca 0.36 -0.54 -0.07 0.00 -2.50 0.00 0.00 54.97 52.22 2d8k s GLU 64 Cb 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 34.13 34.47 2d8k s GLU 64 CO 0.18 -0.26 0.33 0.95 0.02 0.00 0.00 175.26 176.48 2d8k s THR 65 N -2.64 5.21 1.02 -1.70 -4.23 -1.14 -4.97 115.64 107.17 2d8k s THR 65 Ca -0.04 0.24 -0.22 0.00 -1.18 0.00 0.00 61.69 60.48 2d8k s THR 65 Cb -0.01 -3.61 -0.12 0.00 1.34 0.00 0.00 72.50 70.11 2d8k s THR 65 CO -0.04 0.28 -0.96 0.29 -0.54 0.00 0.00 174.62 173.65 2d8k n LYS 66 N 0.86 -0.29 -4.30 3.99 4.76 -1.26 -4.30 118.16 117.63 2d8k n LYS 66 Ca -0.08 -0.08 -0.34 0.00 -2.87 0.00 0.00 58.31 54.94 2d8k n LYS 66 Cb 0.52 -1.18 -0.12 0.00 -1.84 0.00 0.00 35.03 32.41 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 -2.07 3.83 -0.30 -0.18 1.01 -1.26 -4.58 120.40 116.85 2d8k s VAL 67 Ca 0.42 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2d8k s VAL 67 Cb -0.03 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2d8k s VAL 67 CO 0.71 0.47 0.19 -0.54 0.00 0.00 0.00 175.10 175.92 2d8k s LYS 68 N 0.62 3.65 0.51 2.72 -0.14 -1.21 -5.03 119.74 120.86 2d8k s LYS 68 Ca -0.02 -0.52 -0.16 0.00 -1.36 0.00 0.00 55.97 53.91 2d8k s LYS 68 Cb -0.14 -3.66 -0.08 0.00 -1.68 0.00 0.00 37.83 32.28 2d8k s LYS 68 CO 0.02 -0.32 0.96 1.03 -0.76 0.00 0.00 175.35 176.29 2d8k s ARG 69 N 1.70 3.91 -1.46 1.68 1.81 -1.26 -3.57 118.95 121.76 2d8k s ARG 69 Ca 0.06 0.89 -0.05 0.00 -1.72 0.00 0.00 55.73 54.91 2d8k s ARG 69 Cb -0.17 -2.16 0.01 0.00 -0.45 0.00 0.00 34.95 32.18 2d8k s ARG 69 CO 0.09 -0.26 0.21 1.63 -0.68 0.00 0.00 175.30 176.29 2d8k n LYS 70 N -1.61 -1.45 -3.60 3.54 4.01 -1.23 -4.93 118.16 112.88 2d8k n LYS 70 Ca 0.06 0.18 -0.05 0.00 -0.51 0.00 0.00 58.31 57.98 2d8k n LYS 70 Cb 0.54 -3.70 -0.07 0.00 -0.51 0.00 0.00 35.03 31.28 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2d8k s ASN 71 N -4.25 -0.55 -0.15 4.39 -0.87 -1.15 -4.96 114.94 107.40 2d8k s ASN 71 Ca 0.08 1.11 0.13 0.00 -1.57 0.00 0.00 52.86 52.60 2d8k s ASN 71 Cb -0.04 1.67 -0.24 0.00 -0.02 0.00 0.00 41.25 42.63 2d8k s ASN 71 CO 0.96 -0.24 0.26 0.18 -2.57 0.00 0.00 177.10 175.70 2d8k n LEU 72 N 5.41 0.75 -2.55 0.60 4.77 -1.26 -4.12 117.00 120.59 2d8k n LEU 72 Ca -0.09 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 2d8k n LEU 72 Cb 0.49 0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2d8k n LEU 72 CO -0.01 0.53 0.16 0.59 -1.33 0.00 0.00 177.39 177.33 2d8k n ASN 73 N -2.94 4.41 -4.71 -1.43 3.02 -1.26 -4.22 115.26 108.12 2d8k n ASN 73 Ca -0.29 -3.63 -0.30 0.00 -0.03 0.00 0.00 54.58 50.33 2d8k n ASN 73 Cb 1.10 -0.48 0.14 0.00 -0.61 0.00 0.00 39.78 39.93 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 -3.49 1.18 -0.20 3.52 0.04 -1.26 -4.69 135.00 130.10 2d8k s PRO 74 Ca 0.46 0.80 0.01 0.00 0.04 0.00 0.00 61.00 62.31 2d8k s PRO 74 Cb 0.39 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 33.17 2d8k s PRO 74 CO -0.17 -2.29 -0.14 -3.38 0.04 0.00 0.00 177.00 171.07 2d8k s HIS 75 N -2.94 2.72 -0.17 0.56 -3.43 -1.26 -2.47 115.29 108.30 2d8k s HIS 75 Ca 0.64 -1.75 -0.20 0.00 -0.80 0.00 0.00 55.06 52.94 2d8k s HIS 75 Cb -0.18 -1.80 -0.23 0.00 -1.43 0.00 0.00 32.58 28.95 2d8k s HIS 75 CO 0.57 -0.79 0.39 -1.49 -2.00 0.00 0.00 174.74 171.42 2d8k h TRP 76 N 7.92 0.14 -6.56 0.38 6.55 -1.66 -3.48 115.95 119.25 2d8k h TRP 76 Ca -0.33 -0.10 -0.46 0.00 0.95 0.00 0.00 58.89 58.95 2d8k h TRP 76 Cb 1.10 -0.01 -0.27 0.00 -0.86 0.00 0.00 29.16 29.13 2d8k h TRP 76 CO 0.52 1.46 -0.67 0.09 -1.05 0.00 0.00 178.44 178.79 2d8k n ASN 77 N -4.26 -1.82 -4.93 -3.49 3.02 0.18 -4.89 115.26 99.07 2d8k n ASN 77 Ca -0.27 -0.77 -0.26 0.00 -0.03 0.00 0.00 54.58 53.25 2d8k n ASN 77 Cb 0.73 -1.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.32 2d8k n ASN 77 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2d8k s GLU 78 N -6.63 2.98 -0.16 3.52 2.02 -1.25 -4.88 118.70 114.31 2d8k s GLU 78 Ca 0.61 -0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.48 2d8k s GLU 78 Cb -0.35 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.57 2d8k s GLU 78 CO 0.75 -0.58 -0.06 0.99 0.02 0.00 0.00 175.26 176.38 2d8k s THR 79 N -2.87 1.16 0.16 3.63 2.01 -1.26 -3.11 115.64 115.35 2d8k s THR 79 Ca 0.52 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.95 2d8k s THR 79 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 2d8k s THR 79 CO 0.43 0.17 0.10 -0.36 -0.69 0.00 0.00 174.62 174.27 2d8k s PHE 80 N 1.61 3.09 -0.05 4.92 0.40 -1.10 -4.99 117.98 121.85 2d8k s PHE 80 Ca 0.01 -0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 2d8k s PHE 80 Cb -0.15 -1.50 0.03 0.00 0.51 0.00 0.00 43.02 41.91 2d8k s PHE 80 CO -0.08 0.52 0.04 -0.51 0.70 0.00 0.00 175.22 175.89 2d8k s LEU 81 N -2.98 0.34 -0.53 -0.37 1.43 -1.26 -2.99 118.68 112.33 2d8k s LEU 81 Ca 0.30 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.25 2d8k s LEU 81 Cb -0.10 -0.25 0.10 0.00 0.03 0.00 0.00 46.19 45.97 2d8k s LEU 81 CO 0.22 -0.22 0.53 -0.36 0.23 0.00 0.00 176.35 176.75 2d8k s PHE 82 N 2.05 3.17 -0.10 0.29 0.08 -0.95 -4.93 117.98 117.60 2d8k s PHE 82 Ca 0.04 -1.05 -0.12 0.00 0.12 0.00 0.00 56.93 55.93 2d8k s PHE 82 Cb -0.12 -3.67 -0.05 0.00 -0.57 0.00 0.00 43.02 38.61 2d8k s PHE 82 CO -0.04 -1.03 0.27 -1.21 -0.10 0.00 0.00 175.22 173.11 2d8k s GLU 83 N 1.95 3.86 0.00 0.44 8.01 -1.26 -3.28 118.70 128.41 2d8k s GLU 83 Ca 0.06 0.10 0.00 0.00 0.01 0.00 0.00 54.97 55.15 2d8k s GLU 83 Cb -0.26 -3.28 0.00 0.00 -4.31 0.00 0.00 34.13 26.28 2d8k s GLU 83 CO 0.05 0.58 0.00 0.41 0.01 0.00 0.00 175.26 176.31 2d8k n GLY 84 N 2.39 1.74 2.67 -1.39 0.00 -1.26 -5.10 105.19 104.24 2d8k n GLY 84 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.01 0.34 1.61 0.40 -1.26 -5.14 117.98 111.92 2d8k s PHE 85 Ca 0.00 -0.08 -0.28 0.00 -0.60 0.00 0.00 56.93 55.97 2d8k s PHE 85 Cb 0.00 -0.55 -0.10 0.00 0.51 0.00 0.00 43.02 42.89 2d8k s PHE 85 CO 0.00 -0.55 1.22 -1.25 0.70 0.00 0.00 175.22 175.34 2d8k s PRO 86 N 2.22 4.34 0.20 0.24 0.04 -1.26 -4.63 135.00 136.14 2d8k s PRO 86 Ca 0.04 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 2d8k s PRO 86 Cb -0.16 -2.99 0.16 0.00 0.04 0.00 0.00 34.50 31.55 2d8k s PRO 86 CO -0.10 -0.12 1.59 -0.92 0.04 0.00 0.00 177.00 177.48 2d8k h TYR 87 N 3.28 -0.83 -1.29 0.56 5.03 -1.93 0.72 116.97 122.52 2d8k h TYR 87 Ca -0.48 0.07 0.37 0.00 2.58 0.00 0.00 58.73 61.27 2d8k h TYR 87 Cb 1.23 0.46 -0.05 0.00 1.55 0.00 0.00 36.73 39.91 2d8k h TYR 87 CO 0.56 -0.37 1.07 1.05 -1.32 0.00 0.00 178.16 179.15 2d8k h GLU 88 N -0.13 0.00 0.00 1.82 4.11 -2.01 -0.23 114.58 118.14 2d8k h GLU 88 Ca 0.26 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.34 2d8k h GLU 88 Cb 0.55 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2d8k h GLU 88 CO -0.70 0.00 -1.93 1.63 0.07 0.00 0.00 179.01 178.08 2d8k n LYS 89 N -3.80 0.57 0.09 1.06 5.02 0.22 -4.26 118.16 117.06 2d8k n LYS 89 Ca 0.28 0.39 0.19 0.00 -2.02 0.00 0.00 58.31 57.15 2d8k n LYS 89 Cb 1.47 -1.59 0.57 0.00 -0.02 0.00 0.00 35.03 35.46 2d8k n LYS 89 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2d8k h VAL 90 N -1.00 0.14 -0.01 -0.18 3.04 0.10 0.93 116.25 119.26 2d8k h VAL 90 Ca -0.52 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 64.97 2d8k h VAL 90 Cb 1.44 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 2d8k h VAL 90 CO -0.31 0.00 -0.86 -0.37 -1.01 0.00 0.00 177.57 175.02 2d8k h VAL 91 N 0.00 1.44 0.00 1.51 -1.51 -1.29 -3.05 116.25 113.36 2d8k h VAL 91 Ca 0.21 -2.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 2d8k h VAL 91 Cb 1.64 2.37 0.00 0.00 -2.13 0.00 0.00 31.29 33.17 2d8k h VAL 91 CO -0.00 0.72 0.00 0.00 -1.23 0.00 0.00 177.57 177.06 2d8k n GLN 92 N -3.72 0.18 -2.57 5.19 6.02 0.32 -3.10 117.38 119.70 2d8k n GLN 92 Ca -0.05 0.29 -0.26 0.00 -0.01 0.00 0.00 57.00 56.98 2d8k n GLN 92 Cb 0.79 -1.77 0.02 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 -3.18 2.98 -0.07 -1.09 1.81 -1.09 -4.75 118.95 113.56 2d8k s ARG 93 Ca 0.08 -0.14 0.02 0.00 -1.72 0.00 0.00 55.73 53.97 2d8k s ARG 93 Cb 0.11 -2.36 0.01 0.00 -0.45 0.00 0.00 34.95 32.27 2d8k s ARG 93 CO 0.46 -0.57 -0.13 0.42 -0.68 0.00 0.00 175.30 174.80 2d8k s ILE 94 N -2.86 1.22 -0.24 1.52 1.01 -0.26 -2.74 121.20 118.85 2d8k s ILE 94 Ca 0.52 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 2d8k s ILE 94 Cb -0.10 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 2d8k s ILE 94 CO 0.43 0.37 1.58 -0.22 0.00 0.00 0.00 174.94 177.10 2d8k s LEU 95 N 0.65 3.86 -0.37 2.97 2.96 0.15 -2.81 118.68 126.08 2d8k s LEU 95 Ca -0.15 1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 55.23 2d8k s LEU 95 Cb -0.16 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.07 2d8k s LEU 95 CO 0.04 -1.27 0.15 -0.47 -1.32 0.00 0.00 176.35 173.48 2d8k s TYR 96 N 5.20 3.35 -0.33 5.38 6.14 -0.76 -1.44 117.35 134.90 2d8k s TYR 96 Ca 0.70 -1.76 -0.06 0.00 0.64 0.00 0.00 57.07 56.58 2d8k s TYR 96 Cb -0.23 -2.64 0.03 0.00 0.42 0.00 0.00 41.96 39.54 2d8k s TYR 96 CO 0.29 -0.83 0.10 -0.51 0.64 0.00 0.00 175.55 175.23 2d8k s LEU 97 N 1.32 4.18 -0.02 6.97 1.43 -0.06 -1.72 118.68 130.78 2d8k s LEU 97 Ca 0.01 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.14 2d8k s LEU 97 Cb -0.21 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2d8k s LEU 97 CO 0.00 -0.29 -0.18 -1.58 0.23 0.00 0.00 176.35 174.54 2d8k s GLN 98 N 1.43 2.30 -0.30 1.70 0.74 -0.90 -0.56 119.66 124.07 2d8k s GLN 98 Ca -0.01 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 54.60 2d8k s GLN 98 Cb -0.19 -2.26 0.07 0.00 1.10 0.00 0.00 33.01 31.73 2d8k s GLN 98 CO 0.03 0.59 -0.02 0.08 -0.55 0.00 0.00 175.29 175.41 2d8k s VAL 99 N -0.77 2.48 0.44 1.34 1.01 0.10 0.01 120.40 125.02 2d8k s VAL 99 Ca 0.12 -1.76 0.06 0.00 0.00 0.00 0.00 61.98 60.39 2d8k s VAL 99 Cb -0.10 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2d8k s VAL 99 CO 0.02 -0.22 0.07 -0.76 0.00 0.00 0.00 175.10 174.20 2d8k s LEU 100 N 1.10 2.81 -0.18 3.92 1.02 -0.67 -1.86 118.68 124.82 2d8k s LEU 100 Ca -0.02 -1.35 -0.01 0.00 0.02 0.00 0.00 54.13 52.77 2d8k s LEU 100 Cb -0.20 -1.01 0.00 0.00 0.02 0.00 0.00 46.19 45.01 2d8k s LEU 100 CO -0.05 -0.59 -0.14 1.51 0.02 0.00 0.00 176.35 177.10 2d8k s ASP 101 N -3.82 3.64 0.35 2.29 -4.77 -1.21 -0.85 116.67 112.30 2d8k s ASP 101 Ca 0.30 -0.52 -0.26 0.00 -3.30 0.00 0.00 52.55 48.78 2d8k s ASP 101 Cb 0.06 -1.58 -0.09 0.00 -1.09 0.00 0.00 42.92 40.22 2d8k s ASP 101 CO 0.16 0.02 1.05 -0.47 0.70 0.00 0.00 175.17 176.64 2d8k s TYR 102 N 1.18 3.42 0.08 2.11 6.14 -1.08 -4.38 117.35 124.82 2d8k s TYR 102 Ca 0.02 1.68 -0.27 0.00 0.64 0.00 0.00 57.07 59.14 2d8k s TYR 102 Cb -0.14 -3.16 0.09 0.00 0.42 0.00 0.00 41.96 39.17 2d8k s TYR 102 CO -0.06 -0.51 1.12 -0.51 0.64 0.00 0.00 175.55 176.23 2d8k s ASP 103 N -1.34 -0.08 0.38 4.32 1.01 -1.26 -4.62 116.67 115.08 2d8k s ASP 103 Ca 0.53 -0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.46 2d8k s ASP 103 Cb -0.25 0.34 0.05 0.00 1.01 0.00 0.00 42.92 44.07 2d8k s ASP 103 CO 0.32 -0.65 0.34 -2.11 0.21 0.00 0.00 175.17 173.28 2d8k n ARG 104 N -0.56 0.57 -2.30 8.23 1.85 -1.26 -4.41 116.66 118.78 2d8k n ARG 104 Ca -0.05 -1.10 -0.06 0.00 -1.00 0.00 0.00 57.85 55.64 2d8k n ARG 104 Cb 0.61 -0.18 -0.01 0.00 -1.05 0.00 0.00 32.46 31.83 2d8k n ARG 104 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 2d8k n PHE 105 N -1.73 -1.33 -3.67 2.89 1.16 -1.26 -4.79 117.46 108.73 2d8k n PHE 105 Ca 0.06 0.10 -0.13 0.00 -1.87 0.00 0.00 57.45 55.61 2d8k n PHE 105 Cb 0.22 -0.85 -0.07 0.00 -1.61 0.00 0.00 39.48 37.18 2d8k n PHE 105 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2d8k s SER 106 N -1.69 -0.31 0.00 5.98 0.01 -1.26 -5.11 113.70 111.33 2d8k s SER 106 Ca 0.12 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2d8k s SER 106 Cb -0.07 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2d8k s SER 106 CO 0.15 -0.62 0.00 0.54 0.41 0.00 0.00 173.24 173.72 2d8k n ARG 107 N 0.68 0.00 -3.50 12.44 1.74 -1.26 -4.90 116.66 121.87 2d8k n ARG 107 Ca -0.19 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2d8k n ARG 107 Cb 0.59 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.46 31.21 2d8k n ARG 107 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2d8k s ASN 108 N -2.72 -0.75 -0.80 0.55 2.20 -1.26 -4.96 114.94 107.20 2d8k s ASN 108 Ca 0.00 1.04 -0.07 0.00 -0.94 0.00 0.00 52.86 52.90 2d8k s ASN 108 Cb 0.00 1.81 0.21 0.00 -2.00 0.00 0.00 41.25 41.27 2d8k s ASN 108 CO 0.00 -0.15 0.69 -1.81 -2.94 0.00 0.00 177.10 172.89 2d8k s ASP 109 N 2.49 6.08 -0.28 3.54 1.01 -1.26 -5.04 116.67 123.21 2d8k s ASP 109 Ca -0.04 -3.09 -0.29 0.00 0.71 0.00 0.00 52.55 49.84 2d8k s ASP 109 Cb -0.08 -2.01 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 2d8k s ASP 109 CO -0.18 -0.38 1.65 -2.16 0.21 0.00 0.00 175.17 174.31 2d8k s PRO 110 N -0.43 3.62 -0.05 8.23 0.04 -1.26 -3.31 135.00 141.84 2d8k s PRO 110 Ca 0.21 1.50 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 2d8k s PRO 110 Cb -0.13 -4.08 -0.22 0.00 0.04 0.00 0.00 34.50 30.11 2d8k s PRO 110 CO -0.08 -1.50 1.12 0.82 0.04 0.00 0.00 177.00 177.41 2d8k h ILE 111 N 6.40 1.51 -2.81 0.56 2.04 -1.69 -3.41 117.51 120.11 2d8k h ILE 111 Ca -0.33 -1.52 0.05 0.00 1.00 0.00 0.00 64.86 64.06 2d8k h ILE 111 Cb 1.15 2.52 -0.10 0.00 -0.74 0.00 0.00 36.82 39.65 2d8k h ILE 111 CO 1.02 0.40 0.29 -0.83 0.00 0.00 0.00 178.15 179.03 2d8k s GLY 112 N -3.51 -0.42 0.02 5.37 0.00 -1.17 -3.84 107.32 103.77 2d8k s GLY 112 Ca -0.17 0.34 -0.13 0.00 0.00 0.00 0.00 44.72 44.76 2d8k s GLY 112 CO 0.69 0.11 0.27 -1.83 0.00 0.00 0.00 173.10 172.33 2d8k s GLU 113 N -3.64 0.71 -0.02 2.90 4.04 -0.92 -0.72 118.70 121.06 2d8k s GLU 113 Ca 0.05 -0.42 0.01 0.00 0.04 0.00 0.00 54.97 54.65 2d8k s GLU 113 Cb -0.02 0.31 0.01 0.00 0.02 0.00 0.00 34.13 34.44 2d8k s GLU 113 CO -0.06 -0.21 -0.04 0.08 -1.84 0.00 0.00 175.26 173.19 2d8k s VAL 114 N -2.07 0.43 -0.08 1.83 1.01 0.28 -2.68 120.40 119.12 2d8k s VAL 114 Ca -0.09 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2d8k s VAL 114 Cb -0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.94 2d8k s VAL 114 CO -0.01 0.16 -0.24 -0.55 0.00 0.00 0.00 175.10 174.46 2d8k s SER 115 N 0.33 2.97 -0.15 3.32 0.15 -1.26 -0.88 113.70 118.18 2d8k s SER 115 Ca -0.04 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 56.03 2d8k s SER 115 Cb -0.07 -1.07 0.07 0.00 -1.71 0.00 0.00 66.02 63.23 2d8k s SER 115 CO -0.00 0.19 0.34 -0.63 1.20 0.00 0.00 173.24 174.34 2d8k s ILE 116 N 0.10 -0.35 -0.04 6.45 1.01 -0.52 -4.96 121.20 122.88 2d8k s ILE 116 Ca -0.11 0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 2d8k s ILE 116 Cb -0.16 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 2d8k s ILE 116 CO 0.06 0.08 1.48 -2.16 0.00 0.00 0.00 174.94 174.40 2d8k s PRO 117 N 2.10 4.23 0.00 2.79 0.04 -1.26 0.32 135.00 143.23 2d8k s PRO 117 Ca -0.03 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2d8k s PRO 117 Cb -0.11 -3.75 0.24 0.00 0.04 0.00 0.00 34.50 30.92 2d8k s PRO 117 CO -0.11 -0.70 1.13 1.28 0.04 0.00 0.00 177.00 178.64 2d8k n LEU 118 N 6.20 0.00 0.13 -3.56 4.77 -1.11 -1.40 117.00 122.03 2d8k n LEU 118 Ca 0.15 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2d8k n LEU 118 Cb 0.43 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2d8k n LEU 118 CO 0.60 -0.36 0.43 -1.13 -1.33 0.00 0.00 177.39 175.60 2d8k h ASN 119 N 0.00 0.00 0.11 -1.43 -0.73 -1.77 -3.31 115.58 108.46 2d8k h ASN 119 Ca 0.00 0.00 -0.20 0.00 1.87 0.00 0.00 56.30 57.97 2d8k h ASN 119 Cb 0.08 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.68 2d8k h ASN 119 CO 0.00 0.62 -0.97 0.11 -0.37 0.00 0.00 177.43 176.81 2d8k h LYS 120 N 0.00 0.24 -6.91 6.67 1.79 -1.56 -3.46 116.57 113.33 2d8k h LYS 120 Ca -0.01 -0.41 -0.52 0.00 -2.18 0.00 0.00 60.65 57.53 2d8k h LYS 120 Cb 1.36 0.15 0.07 0.00 -1.58 0.00 0.00 32.23 32.23 2d8k h LYS 120 CO 0.08 1.20 0.63 0.54 -1.08 0.00 0.00 179.45 180.82 2d8k s VAL 121 N -2.42 2.66 -1.31 0.50 0.11 -1.21 -4.91 120.40 113.81 2d8k s VAL 121 Ca -0.17 0.63 -0.18 0.00 -2.93 0.00 0.00 61.98 59.33 2d8k s VAL 121 Cb 0.02 -3.39 0.06 0.00 -1.53 0.00 0.00 36.38 31.54 2d8k s VAL 121 CO 0.78 0.12 1.82 0.47 -3.33 0.00 0.00 175.10 174.96 2d8k n ASP 122 N 0.48 4.71 -0.08 3.54 8.00 -1.26 -4.77 116.55 127.17 2d8k n ASP 122 Ca 0.02 -2.90 0.25 0.00 0.71 0.00 0.00 54.79 52.87 2d8k n ASP 122 Cb 0.43 -1.73 0.72 0.00 -0.02 0.00 0.00 41.12 40.51 2d8k n ASP 122 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2d8k h LEU 123 N 12.40 0.00 -1.66 0.64 3.38 -1.87 -1.74 115.31 126.46 2d8k h LEU 123 Ca 0.46 0.00 0.51 0.00 0.09 0.00 0.00 57.88 58.94 2d8k h LEU 123 Cb 0.84 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 2d8k h LEU 123 CO 1.51 0.00 1.16 0.35 0.09 0.00 0.00 178.44 181.55 2d8k n THR 124 N -4.12 -0.08 -4.06 0.22 -2.24 -1.26 -3.15 114.28 99.59 2d8k n THR 124 Ca 0.14 1.50 -0.10 0.00 -2.27 0.00 0.00 64.05 63.33 2d8k n THR 124 Cb 0.83 -2.49 -0.08 0.00 -2.10 0.00 0.00 70.33 66.49 2d8k n THR 124 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2d8k s GLN 125 N -4.88 1.14 0.06 -0.78 -0.21 -0.66 -4.96 119.66 109.37 2d8k s GLN 125 Ca -0.05 -1.33 -0.30 0.00 0.02 0.00 0.00 55.36 53.69 2d8k s GLN 125 Cb 0.27 0.33 -0.05 0.00 1.00 0.00 0.00 33.01 34.55 2d8k s GLN 125 CO 0.81 -0.39 1.13 1.41 -2.12 0.00 0.00 175.29 176.13 2d8k s MET 126 N -4.03 4.49 -0.04 2.91 -2.45 -1.26 -4.60 119.30 114.33 2d8k s MET 126 Ca 0.23 1.68 -0.01 0.00 -1.25 0.00 0.00 55.69 56.33 2d8k s MET 126 Cb 0.05 -3.36 0.03 0.00 1.25 0.00 0.00 34.83 32.79 2d8k s MET 126 CO 0.03 -0.16 0.07 -0.65 1.05 0.00 0.00 175.02 175.36 2d8k s GLN 127 N 0.85 -0.03 0.12 4.11 -1.52 -1.13 -4.99 119.66 117.08 2d8k s GLN 127 Ca 0.56 0.31 -0.23 0.00 -1.95 0.00 0.00 55.36 54.04 2d8k s GLN 127 Cb -0.27 -0.32 -0.07 0.00 -0.22 0.00 0.00 33.01 32.12 2d8k s GLN 127 CO 0.30 -0.23 0.70 0.99 -0.25 0.00 0.00 175.29 176.80 2d8k s THR 128 N 1.53 4.54 0.03 -0.19 2.01 -1.26 -2.58 115.64 119.72 2d8k s THR 128 Ca -0.04 1.53 0.08 0.00 0.31 0.00 0.00 61.69 63.57 2d8k s THR 128 Cb -0.12 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2d8k s THR 128 CO -0.04 0.52 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.82 2d8k s PHE 129 N -1.01 2.01 -0.29 4.92 0.40 -0.75 -5.02 117.98 118.24 2d8k s PHE 129 Ca 0.34 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2d8k s PHE 129 Cb -0.22 -1.22 0.09 0.00 0.51 0.00 0.00 43.02 42.18 2d8k s PHE 129 CO 0.23 0.08 0.03 -1.58 0.70 0.00 0.00 175.22 174.68 2d8k s TRP 130 N -0.75 2.63 0.20 0.36 0.52 -1.26 -3.09 118.94 117.55 2d8k s TRP 130 Ca 0.09 -2.16 0.09 0.00 0.02 0.00 0.00 56.10 54.15 2d8k s TRP 130 Cb -0.09 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2d8k s TRP 130 CO 0.01 -0.86 -0.18 0.15 0.02 0.00 0.00 176.95 176.09 2d8k s LYS 131 N 1.30 1.39 -0.46 4.98 -0.14 -1.23 -5.01 119.74 120.57 2d8k s LYS 131 Ca 0.05 -1.54 -0.18 0.00 -1.36 0.00 0.00 55.97 52.94 2d8k s LYS 131 Cb -0.18 -1.41 0.04 0.00 -1.68 0.00 0.00 37.83 34.60 2d8k s LYS 131 CO -0.13 0.27 0.54 0.16 -0.76 0.00 0.00 175.35 175.44 2d8k s ASP 132 N -2.99 6.22 -0.33 2.83 1.47 -1.26 -1.66 116.67 120.95 2d8k s ASP 132 Ca 0.21 -0.77 -0.33 0.00 1.18 0.00 0.00 52.55 52.84 2d8k s ASP 132 Cb -0.05 -2.26 -0.14 0.00 -0.34 0.00 0.00 42.92 40.13 2d8k s ASP 132 CO 0.09 -0.75 1.11 0.18 0.68 0.00 0.00 175.17 176.48 2d8k n LEU 133 N 5.91 0.79 -4.84 2.11 4.77 -0.01 -4.87 117.00 120.85 2d8k n LEU 133 Ca -0.06 0.84 -0.32 0.00 -0.03 0.00 0.00 56.01 56.44 2d8k n LEU 133 Cb 0.46 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2d8k n LEU 133 CO 0.51 -0.66 0.70 -0.54 -1.33 0.00 0.00 177.39 176.07 2d8k s LYS 134 N 1.96 3.56 -0.43 3.23 -0.14 -1.09 -4.60 119.74 122.23 2d8k s LYS 134 Ca 0.74 0.94 -0.28 0.00 -1.36 0.00 0.00 55.97 56.00 2d8k s LYS 134 Cb -1.05 -2.08 -0.01 0.00 -1.68 0.00 0.00 37.83 33.01 2d8k s LYS 134 CO 0.57 -0.59 1.75 -1.25 -0.76 0.00 0.00 175.35 175.06 2d8k s PRO 135 N -4.57 3.18 -0.07 -1.68 0.04 -1.26 -2.16 135.00 128.47 2d8k s PRO 135 Ca 0.58 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 2d8k s PRO 135 Cb -0.12 -4.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 2d8k s PRO 135 CO 0.43 -2.06 0.44 0.45 0.04 0.00 0.00 177.00 176.30 2d8k s SER 136 N 6.27 6.72 0.27 6.66 0.15 -1.25 -4.93 113.70 127.59 2d8k s SER 136 Ca 0.73 0.86 0.11 0.00 0.70 0.00 0.00 55.95 58.35 2d8k s SER 136 Cb -0.18 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2d8k s SER 136 CO 0.30 0.14 -0.18 -0.83 1.20 0.00 0.00 173.24 173.87 2d8k s GLY 137 N -0.10 1.81 0.14 9.45 0.00 -1.26 -4.82 107.32 112.53 2d8k s GLY 137 Ca 0.24 -1.85 -0.31 0.00 0.00 0.00 0.00 44.72 42.81 2d8k s GLY 137 CO 0.11 -1.93 1.35 2.56 0.00 0.00 0.00 173.10 175.19 2d8k s PRO 138 N -3.54 4.35 -0.22 2.90 0.04 -1.26 -5.02 135.00 132.25 2d8k s PRO 138 Ca 0.29 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 2d8k s PRO 138 Cb -0.04 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2d8k s PRO 138 CO 0.13 -0.36 0.07 0.45 0.04 0.00 0.00 177.00 177.33 2d8k s SER 139 N 0.84 5.29 -0.52 6.66 0.15 -1.26 -5.06 113.70 119.79 2d8k s SER 139 Ca 0.61 -0.11 -0.18 0.00 0.70 0.00 0.00 55.95 56.97 2d8k s SER 139 Cb -0.36 -1.93 0.08 0.00 -1.71 0.00 0.00 66.02 62.09 2d8k s SER 139 CO 0.33 0.04 0.58 -0.44 1.20 0.00 0.00 173.24 174.95 2d8k s SER 140 N 1.18 6.20 0.00 5.45 0.01 -1.26 -5.32 113.70 119.96 2d8k s SER 140 Ca 0.04 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2d8k s SER 140 Cb -0.14 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2d8k s SER 140 CO 0.03 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.41