#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6k s GLN 7 N 0.00 1.33 0.43 0.00 -2.07 -1.26 -5.08 119.66 113.01 2d6k s GLN 7 Ca 0.00 -1.69 -0.21 0.00 -1.82 0.00 0.00 55.36 51.64 2d6k s GLN 7 Cb 0.00 -0.43 -0.11 0.00 -1.09 0.00 0.00 33.01 31.39 2d6k s GLN 7 CO 0.00 -0.18 0.96 -1.54 -1.32 0.00 0.00 175.29 173.21 2d6k s SER 8 N -3.29 6.89 0.67 12.60 1.04 -1.26 -4.51 113.70 125.84 2d6k s SER 8 Ca 0.31 1.71 -0.16 0.00 0.48 0.00 0.00 55.95 58.29 2d6k s SER 8 Cb 0.07 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2d6k s SER 8 CO 0.10 -0.39 1.18 -2.84 0.98 0.00 0.00 173.24 172.27 2d6k s PRO 9 N -3.17 2.57 0.09 4.02 0.02 -1.26 -4.89 135.00 132.39 2d6k s PRO 9 Ca 0.62 1.70 -0.22 0.00 0.02 0.00 0.00 61.00 63.12 2d6k s PRO 9 Cb -0.10 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 2d6k s PRO 9 CO 0.14 -1.49 0.65 0.71 -0.33 0.00 0.00 177.00 176.68 2d6k s TYR 10 N -1.93 3.82 -0.09 6.54 1.51 -0.79 -4.99 117.35 121.42 2d6k s TYR 10 Ca 0.74 1.39 0.03 0.00 -1.01 0.00 0.00 57.07 58.21 2d6k s TYR 10 Cb -0.28 -2.62 0.01 0.00 -0.11 0.00 0.00 41.96 38.97 2d6k s TYR 10 CO 0.40 0.51 -0.17 0.42 -1.11 0.00 0.00 175.55 175.60 2d6k s ILE 11 N -0.93 1.55 -0.90 2.71 1.01 -1.26 -2.32 121.20 121.06 2d6k s ILE 11 Ca 0.32 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 2d6k s ILE 11 Cb -0.21 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.90 2d6k s ILE 11 CO 0.21 0.45 0.24 0.59 0.00 0.00 0.00 174.94 176.43 2d6k n ASN 12 N 3.80 -1.13 -4.77 3.58 3.02 0.11 -4.84 115.26 115.03 2d6k n ASN 12 Ca -0.21 -0.85 -0.40 0.00 -0.03 0.00 0.00 54.58 53.09 2d6k n ASN 12 Cb 0.52 -1.04 0.01 0.00 -0.61 0.00 0.00 39.78 38.66 2d6k n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d6k s PRO 13 N -6.29 3.89 -0.15 3.52 0.04 -1.23 -4.91 135.00 129.86 2d6k s PRO 13 Ca 0.17 2.47 -0.27 0.00 0.04 0.00 0.00 61.00 63.41 2d6k s PRO 13 Cb -0.10 -2.80 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2d6k s PRO 13 CO 0.65 -0.67 0.91 0.42 0.04 0.00 0.00 177.00 178.34 2d6k s ILE 14 N -1.17 4.83 -0.06 0.56 1.01 -1.26 -4.48 121.20 120.63 2d6k s ILE 14 Ca 0.57 1.81 -0.21 0.00 0.00 0.00 0.00 60.65 62.82 2d6k s ILE 14 Cb -0.45 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 2d6k s ILE 14 CO 0.59 0.00 0.60 -0.63 0.00 0.00 0.00 174.94 175.50 2d6k s ILE 15 N 2.19 5.05 0.13 2.92 -1.09 -1.26 -3.17 121.20 125.97 2d6k s ILE 15 Ca 0.42 1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 59.77 2d6k s ILE 15 Cb -0.17 -3.94 -0.07 0.00 -1.58 0.00 0.00 42.46 36.70 2d6k s ILE 15 CO 0.14 0.32 1.25 -2.16 -1.23 0.00 0.00 174.94 173.26 2d6k s PRO 16 N 0.45 4.42 0.08 2.79 0.04 -1.26 -5.00 135.00 136.52 2d6k s PRO 16 Ca 0.32 1.90 0.10 0.00 0.04 0.00 0.00 61.00 63.36 2d6k s PRO 16 Cb -0.17 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 2d6k s PRO 16 CO 0.15 -0.24 -0.26 0.12 0.04 0.00 0.00 177.00 176.82 2d6k s PHE 17 N 0.59 2.26 -0.09 0.56 5.36 0.11 -4.99 117.98 121.78 2d6k s PHE 17 Ca 0.58 -0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 56.11 2d6k s PHE 17 Cb -0.33 -1.30 0.05 0.00 -0.34 0.00 0.00 43.02 41.10 2d6k s PHE 17 CO 0.33 0.21 0.19 0.99 -1.46 0.00 0.00 175.22 175.48 2d6k s THR 18 N -0.92 -0.20 0.03 0.12 2.01 -1.26 -0.96 115.64 114.46 2d6k s THR 18 Ca 0.12 0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 2d6k s THR 18 Cb -0.10 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 2d6k s THR 18 CO 0.04 0.11 0.04 -0.83 -0.69 0.00 0.00 174.62 173.28 2d6k s GLY 19 N 1.86 0.22 0.57 4.40 0.00 -0.62 -5.02 107.32 108.73 2d6k s GLY 19 Ca -0.03 -0.58 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 2d6k s GLY 19 CO -0.07 -0.69 1.18 2.56 0.00 0.00 0.00 173.10 176.08 2d6k s PRO 20 N -2.14 3.13 -0.39 2.90 0.04 -1.26 -1.57 135.00 135.71 2d6k s PRO 20 Ca -0.09 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 2d6k s PRO 20 Cb -0.04 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2d6k s PRO 20 CO -0.03 -1.06 0.21 0.42 0.04 0.00 0.00 177.00 176.58 2d6k s ILE 21 N -1.66 4.22 0.07 0.56 1.01 0.62 -4.78 121.20 121.24 2d6k s ILE 21 Ca 0.76 -1.21 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 2d6k s ILE 21 Cb -0.28 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 2d6k s ILE 21 CO 0.31 -0.37 1.79 -1.58 0.00 0.00 0.00 174.94 175.09 2d6k s GLN 22 N 1.45 4.16 0.00 2.79 2.00 -1.26 -0.77 119.66 128.03 2d6k s GLN 22 Ca 0.02 2.48 0.00 0.00 -2.00 0.00 0.00 55.36 55.86 2d6k s GLN 22 Cb -0.21 -3.76 0.00 0.00 0.80 0.00 0.00 33.01 29.83 2d6k s GLN 22 CO 0.03 -0.84 0.00 0.41 -0.50 0.00 0.00 175.29 174.40 2d6k n GLY 23 N 4.23 2.33 4.87 2.59 0.00 -1.26 -4.89 105.19 113.06 2d6k n GLY 23 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2d6k n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6k n GLY 24 N -2.00 -2.06 3.80 -0.02 0.00 0.05 -4.85 105.19 100.11 2d6k n GLY 24 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 2d6k n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d6k s LEU 25 N 0.00 3.87 0.13 0.99 1.43 -0.53 -4.98 118.68 119.58 2d6k s LEU 25 Ca 0.00 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 2d6k s LEU 25 Cb 0.00 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.67 2d6k s LEU 25 CO 0.00 -0.67 0.28 0.00 0.23 0.00 0.00 176.35 176.19 2d6k s GLN 26 N -3.23 1.02 0.08 1.70 -2.07 -1.26 -4.63 119.66 111.26 2d6k s GLN 26 Ca 0.66 -0.97 -0.31 0.00 -1.82 0.00 0.00 55.36 52.93 2d6k s GLN 26 Cb -0.14 0.39 -0.08 0.00 -1.09 0.00 0.00 33.01 32.09 2d6k s GLN 26 CO 0.18 -0.36 1.47 -2.00 -1.32 0.00 0.00 175.29 173.26 2d6k s GLU 27 N -3.88 4.27 0.00 9.60 2.12 -1.26 -2.30 118.70 127.25 2d6k s GLU 27 Ca 0.08 2.13 0.00 0.00 0.36 0.00 0.00 54.97 57.55 2d6k s GLU 27 Cb 0.03 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2d6k s GLU 27 CO -0.07 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 2d6k n GLY 28 N 3.67 0.25 3.71 -1.50 0.00 0.29 -5.02 105.19 106.58 2d6k n GLY 28 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2d6k n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6k s LEU 29 N 0.00 4.37 -0.20 0.99 2.96 -0.97 -4.47 118.68 121.35 2d6k s LEU 29 Ca 0.00 2.50 -0.04 0.00 -0.22 0.00 0.00 54.13 56.37 2d6k s LEU 29 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 2d6k s LEU 29 CO 0.00 -0.79 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.10 2d6k s GLN 30 N 1.47 3.48 -0.23 1.98 -0.21 0.04 -0.82 119.66 125.37 2d6k s GLN 30 Ca 0.69 -0.59 -0.07 0.00 0.02 0.00 0.00 55.36 55.42 2d6k s GLN 30 Cb -0.41 -2.98 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 2d6k s GLN 30 CO 0.31 -0.04 0.04 0.08 -2.12 0.00 0.00 175.29 173.56 2d6k s VAL 31 N 1.10 4.17 -0.09 1.09 1.01 0.06 -2.14 120.40 125.60 2d6k s VAL 31 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2d6k s VAL 31 Cb -0.15 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2d6k s VAL 31 CO 0.00 0.37 -0.18 -0.89 0.00 0.00 0.00 175.10 174.40 2d6k s THR 32 N 1.42 2.61 -0.23 3.92 2.01 -0.74 -0.66 115.64 123.96 2d6k s THR 32 Ca 0.05 -0.85 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2d6k s THR 32 Cb -0.15 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.35 2d6k s THR 32 CO 0.02 0.56 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.67 2d6k s LEU 33 N -0.01 2.95 -0.26 4.42 1.02 0.30 -1.39 118.68 125.70 2d6k s LEU 33 Ca -0.06 -0.76 -0.07 0.00 0.02 0.00 0.00 54.13 53.26 2d6k s LEU 33 Cb -0.15 -1.64 -0.01 0.00 0.02 0.00 0.00 46.19 44.41 2d6k s LEU 33 CO 0.05 -0.09 0.06 -1.58 0.02 0.00 0.00 176.35 174.81 2d6k s GLN 34 N 1.34 3.43 0.00 1.70 2.00 -0.87 0.19 119.66 127.46 2d6k s GLN 34 Ca 0.02 -0.62 0.00 0.00 -2.00 0.00 0.00 55.36 52.76 2d6k s GLN 34 Cb -0.16 -3.31 0.00 0.00 0.80 0.00 0.00 33.01 30.34 2d6k s GLN 34 CO -0.06 -0.28 0.00 0.41 -0.50 0.00 0.00 175.29 174.86 2d6k n GLY 35 N 4.89 3.11 2.92 2.59 0.00 -0.66 -1.54 105.19 116.49 2d6k n GLY 35 Ca -0.16 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2d6k n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6k s THR 36 N -2.69 -0.06 0.10 2.61 2.01 -0.01 -0.56 115.64 117.05 2d6k s THR 36 Ca 0.00 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2d6k s THR 36 Cb 0.00 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 2d6k s THR 36 CO 0.00 0.08 1.18 -0.89 -0.69 0.00 0.00 174.62 174.30 2d6k s THR 37 N 1.24 3.94 0.49 -0.82 2.01 -0.95 -1.26 115.64 120.29 2d6k s THR 37 Ca -0.08 1.47 -0.23 0.00 0.31 0.00 0.00 61.69 63.15 2d6k s THR 37 Cb -0.12 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 2d6k s THR 37 CO -0.06 0.16 1.29 0.29 -0.69 0.00 0.00 174.62 175.60 2d6k n LYS 38 N 3.42 1.77 -0.28 4.92 5.02 -0.70 -1.17 118.16 131.14 2d6k n LYS 38 Ca 0.07 0.64 0.14 0.00 -2.02 0.00 0.00 58.31 57.14 2d6k n LYS 38 Cb 0.46 -2.46 0.40 0.00 -0.02 0.00 0.00 35.03 33.42 2d6k n LYS 38 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2d6k h SER 39 N 1.70 0.61 -1.22 4.39 0.02 -1.89 -2.08 113.55 115.08 2d6k h SER 39 Ca -0.49 0.05 -0.61 0.00 -0.84 0.00 0.00 61.79 59.90 2d6k h SER 39 Cb 1.30 -0.07 -0.39 0.00 0.14 0.00 0.00 62.40 63.39 2d6k h SER 39 CO 0.58 0.28 -0.38 0.49 -1.14 0.00 0.00 176.83 176.66 2d6k n PHE 40 N -4.58 3.09 -1.67 3.45 3.72 -1.26 -4.42 117.46 115.80 2d6k n PHE 40 Ca 0.19 -2.68 -0.44 0.00 -0.05 0.00 0.00 57.45 54.48 2d6k n PHE 40 Cb 0.55 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2d6k n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d6k n ALA 41 N -0.62 1.45 -0.07 4.37 0.00 -0.80 -4.92 120.51 119.91 2d6k n ALA 41 Ca 0.45 0.23 -0.08 0.00 0.00 0.00 0.00 53.44 54.04 2d6k n ALA 41 Cb 0.73 -2.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 2d6k n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2d6k h GLN 42 N 10.15 0.00 -3.48 0.00 4.20 -1.90 -3.42 115.11 120.65 2d6k h GLN 42 Ca -0.49 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.11 2d6k h GLN 42 Cb 1.25 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.86 2d6k h GLN 42 CO 0.94 0.36 -0.34 1.03 -0.67 0.00 0.00 178.83 180.16 2d6k s ARG 43 N -2.08 0.75 0.23 1.46 0.52 -1.26 -0.71 118.95 117.86 2d6k s ARG 43 Ca -0.14 -0.61 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 2d6k s ARG 43 Cb 0.02 0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 2d6k s ARG 43 CO 0.31 -0.23 0.31 -0.59 0.02 0.00 0.00 175.30 175.12 2d6k s PHE 44 N -2.66 0.83 -0.04 -0.53 -0.12 -1.10 -0.84 117.98 113.51 2d6k s PHE 44 Ca -0.04 -1.10 -0.00 0.00 -0.05 0.00 0.00 56.93 55.73 2d6k s PHE 44 Cb -0.01 -0.20 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 2d6k s PHE 44 CO -0.04 -0.84 0.01 0.08 -0.05 0.00 0.00 175.22 174.38 2d6k s VAL 45 N -4.00 0.22 -0.26 -2.49 1.01 -0.58 -3.24 120.40 111.06 2d6k s VAL 45 Ca 0.31 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.39 2d6k s VAL 45 Cb 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 36.07 2d6k s VAL 45 CO 0.12 0.19 0.00 -0.69 0.00 0.00 0.00 175.10 174.72 2d6k s VAL 46 N 1.48 3.45 -0.15 2.92 1.01 0.67 -1.91 120.40 127.87 2d6k s VAL 46 Ca -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2d6k s VAL 46 Cb -0.13 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2d6k s VAL 46 CO -0.03 0.19 -0.02 0.20 0.00 0.00 0.00 175.10 175.44 2d6k s ASN 47 N 1.43 4.98 -0.33 3.32 0.01 0.29 -0.46 114.94 124.17 2d6k s ASN 47 Ca 0.02 -0.06 -0.10 0.00 -0.71 0.00 0.00 52.86 52.02 2d6k s ASN 47 Cb -0.16 -1.75 0.01 0.00 0.41 0.00 0.00 41.25 39.75 2d6k s ASN 47 CO -0.01 0.20 0.16 -0.36 -1.51 0.00 0.00 177.10 175.58 2d6k s PHE 48 N 0.17 3.20 0.37 2.20 0.08 0.11 -0.57 117.98 123.54 2d6k s PHE 48 Ca -0.00 -0.76 0.06 0.00 0.12 0.00 0.00 56.93 56.34 2d6k s PHE 48 Cb -0.13 -2.37 -0.07 0.00 -0.57 0.00 0.00 43.02 39.87 2d6k s PHE 48 CO 0.02 -0.54 0.02 1.14 -0.10 0.00 0.00 175.22 175.76 2d6k s GLN 49 N 1.58 1.82 -0.32 0.44 -2.07 -0.50 0.52 119.66 121.14 2d6k s GLN 49 Ca 0.03 -2.01 -0.02 0.00 -1.82 0.00 0.00 55.36 51.54 2d6k s GLN 49 Cb -0.18 -1.36 0.06 0.00 -1.09 0.00 0.00 33.01 30.44 2d6k s GLN 49 CO 0.06 -0.08 0.03 1.21 -1.32 0.00 0.00 175.29 175.19 2d6k s ASN 50 N -3.61 4.97 0.64 12.60 2.47 -1.26 -1.99 114.94 128.75 2d6k s ASN 50 Ca 0.35 -1.35 0.32 0.00 0.42 0.00 0.00 52.86 52.60 2d6k s ASN 50 Cb 0.09 -1.74 1.75 0.00 -1.45 0.00 0.00 41.25 39.90 2d6k s ASN 50 CO 0.17 -0.30 2.02 0.77 -3.72 0.00 0.00 177.10 176.04 2d6k h SER 51 N 8.02 0.00 1.09 -4.21 4.64 -1.86 -2.65 113.55 118.58 2d6k h SER 51 Ca -0.20 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2d6k h SER 51 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2d6k h SER 51 CO 0.56 0.00 -0.43 -0.26 -0.87 0.00 0.00 176.83 175.83 2d6k h PHE 52 N 0.00 0.00 -2.25 4.77 -1.00 -1.95 -3.22 116.94 113.30 2d6k h PHE 52 Ca 0.04 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.22 2d6k h PHE 52 Cb 0.59 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 39.74 2d6k h PHE 52 CO 0.00 0.43 -0.57 0.09 -1.61 0.00 0.00 178.31 176.65 2d6k n ASN 53 N -3.40 4.21 0.00 2.17 3.02 -1.00 -5.07 115.26 115.19 2d6k n ASN 53 Ca 0.01 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 50.99 2d6k n ASN 53 Cb 0.60 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2d6k n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d6k n GLY 54 N 0.32 0.00 0.01 7.41 0.00 -1.22 -1.89 105.19 109.82 2d6k n GLY 54 Ca 0.31 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.48 2d6k n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2d6k n ASN 55 N -0.75 0.02 -4.79 1.61 2.04 -1.26 -4.68 115.26 107.46 2d6k n ASN 55 Ca 0.00 -0.77 -0.35 0.00 -0.44 0.00 0.00 54.58 53.02 2d6k n ASN 55 Cb 0.00 -0.08 -0.02 0.00 -2.53 0.00 0.00 39.78 37.15 2d6k n ASN 55 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 2d6k s ASP 56 N -2.16 6.13 -0.10 0.53 -0.00 -0.79 -4.86 116.67 115.41 2d6k s ASP 56 Ca 0.42 2.05 0.00 0.00 -0.00 0.00 0.00 52.55 55.03 2d6k s ASP 56 Cb 0.22 -2.57 0.02 0.00 -0.00 0.00 0.00 42.92 40.58 2d6k s ASP 56 CO 0.40 -0.93 -0.09 -0.63 -0.00 0.00 0.00 175.17 173.91 2d6k s ILE 57 N -1.86 1.06 0.13 0.77 1.01 -0.47 -4.24 121.20 117.61 2d6k s ILE 57 Ca 0.69 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.91 2d6k s ILE 57 Cb -0.20 -1.05 -0.14 0.00 0.01 0.00 0.00 42.46 41.09 2d6k s ILE 57 CO 0.24 0.36 1.36 0.00 0.00 0.00 0.00 174.94 176.90 2d6k h ALA 58 N 7.83 0.42 -2.41 9.38 0.00 -0.16 0.58 119.26 134.89 2d6k h ALA 58 Ca -0.31 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 53.84 2d6k h ALA 58 Cb 1.15 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.60 2d6k h ALA 58 CO 0.43 0.71 -0.47 0.12 0.00 0.00 0.00 179.25 180.04 2d6k s PHE 59 N -3.71 -0.66 -0.23 0.00 5.36 -0.97 -4.55 117.98 113.22 2d6k s PHE 59 Ca -0.09 1.03 -0.05 0.00 -0.96 0.00 0.00 56.93 56.87 2d6k s PHE 59 Cb 0.09 0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.82 2d6k s PHE 59 CO 0.88 -0.54 -0.02 -1.58 -1.46 0.00 0.00 175.22 172.51 2d6k s HIS 60 N 2.51 3.00 -0.18 10.12 5.65 -0.03 0.07 115.29 136.43 2d6k s HIS 60 Ca 0.04 -0.87 0.01 0.00 0.25 0.00 0.00 55.06 54.50 2d6k s HIS 60 Cb -0.13 -2.14 0.01 0.00 -1.18 0.00 0.00 32.58 29.14 2d6k s HIS 60 CO -0.13 -0.52 -0.18 0.12 -0.65 0.00 0.00 174.74 173.38 2d6k s PHE 61 N 1.50 2.78 -0.44 3.88 5.36 0.39 -1.66 117.98 129.78 2d6k s PHE 61 Ca 0.06 -1.47 0.05 0.00 -0.96 0.00 0.00 56.93 54.60 2d6k s PHE 61 Cb -0.15 -1.92 0.17 0.00 -0.34 0.00 0.00 43.02 40.79 2d6k s PHE 61 CO -0.02 -0.72 0.49 1.21 -1.46 0.00 0.00 175.22 174.72 2d6k s ASN 62 N 1.20 0.29 0.23 6.13 2.47 0.19 -0.23 114.94 125.22 2d6k s ASN 62 Ca 0.02 -2.30 -0.31 0.00 0.42 0.00 0.00 52.86 50.70 2d6k s ASN 62 Cb -0.14 0.62 -0.11 0.00 -1.45 0.00 0.00 41.25 40.16 2d6k s ASN 62 CO -0.09 -0.14 1.65 -2.84 -3.72 0.00 0.00 177.10 171.95 2d6k s PRO 63 N 0.62 4.14 -0.12 0.43 0.02 -1.20 -0.94 135.00 137.95 2d6k s PRO 63 Ca 0.29 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2d6k s PRO 63 Cb -0.01 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.46 2d6k s PRO 63 CO -0.11 -0.68 -0.10 1.03 -0.33 0.00 0.00 177.00 176.80 2d6k s ARG 64 N 0.56 1.84 -1.25 5.54 0.52 0.67 -2.70 118.95 124.13 2d6k s ARG 64 Ca 0.70 -0.38 -0.09 0.00 -0.52 0.00 0.00 55.73 55.43 2d6k s ARG 64 Cb -0.48 -1.78 0.18 0.00 0.52 0.00 0.00 34.95 33.39 2d6k s ARG 64 CO 0.37 -0.24 1.79 1.19 0.02 0.00 0.00 175.30 178.43 2d6k n PHE 65 N 4.81 3.08 -3.71 -0.53 3.72 0.11 -1.66 117.46 123.28 2d6k n PHE 65 Ca -0.15 -2.83 -0.14 0.00 -0.05 0.00 0.00 57.45 54.29 2d6k n PHE 65 Cb 0.50 -1.89 -0.09 0.00 -0.94 0.00 0.00 39.48 37.05 2d6k n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6k s GLU 66 N 0.14 0.58 -1.47 -1.08 2.02 -1.26 -4.85 118.70 112.77 2d6k s GLU 66 Ca 0.39 0.48 -0.05 0.00 0.02 0.00 0.00 54.97 55.81 2d6k s GLU 66 Cb 0.08 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.61 2d6k s GLU 66 CO 0.01 -0.10 0.48 0.39 0.02 0.00 0.00 175.26 176.07 2d6k n GLU 67 N 2.49 -4.05 0.00 1.61 1.02 -1.26 -1.37 120.64 119.08 2d6k n GLU 67 Ca -0.15 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 2d6k n GLU 67 Cb 0.57 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 2d6k n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6k n GLY 68 N -1.34 0.68 0.32 0.62 0.00 -1.26 -4.83 105.19 99.37 2d6k n GLY 68 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2d6k n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6k n GLY 69 N -1.10 -2.19 3.54 -0.02 0.00 -0.47 -4.70 105.19 100.25 2d6k n GLY 69 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2d6k n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6k s TYR 70 N -0.08 0.55 -0.10 1.61 -0.85 -0.66 -3.21 117.35 114.61 2d6k s TYR 70 Ca 0.00 -0.89 0.03 0.00 -0.52 0.00 0.00 57.07 55.69 2d6k s TYR 70 Cb 0.00 0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.44 2d6k s TYR 70 CO 0.00 -1.00 -0.19 0.08 -1.52 0.00 0.00 175.55 172.92 2d6k s VAL 71 N -3.81 1.70 -0.17 -3.49 1.01 0.11 -0.24 120.40 115.52 2d6k s VAL 71 Ca 0.25 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 2d6k s VAL 71 Cb -0.00 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2d6k s VAL 71 CO 0.11 0.48 0.35 -0.69 0.00 0.00 0.00 175.10 175.35 2d6k s VAL 72 N 0.64 5.26 -0.11 2.92 1.01 -0.12 -1.29 120.40 128.71 2d6k s VAL 72 Ca -0.13 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2d6k s VAL 72 Cb -0.16 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2d6k s VAL 72 CO 0.04 0.33 -0.15 0.00 0.00 0.00 0.00 175.10 175.32 2d6k s ASN 74 N 0.12 0.16 0.01 0.00 2.47 -0.67 -0.88 114.94 116.16 2d6k s ASN 74 Ca -0.07 -1.23 0.02 0.00 0.42 0.00 0.00 52.86 52.00 2d6k s ASN 74 Cb -0.15 0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 40.48 2d6k s ASN 74 CO 0.05 -1.67 -0.08 -0.89 -3.72 0.00 0.00 177.10 170.80 2d6k s THR 75 N -2.29 0.59 -0.18 -5.21 2.01 -1.26 -0.86 115.64 108.44 2d6k s THR 75 Ca 0.18 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2d6k s THR 75 Cb -0.04 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.92 2d6k s THR 75 CO 0.13 0.01 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.20 2d6k s LYS 76 N -0.59 3.23 0.01 4.92 2.20 0.19 -1.32 119.74 128.39 2d6k s LYS 76 Ca -0.00 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 2d6k s LYS 76 Cb -0.05 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.51 2d6k s LYS 76 CO 0.00 -0.10 -0.13 -0.65 -0.36 0.00 0.00 175.35 174.11 2d6k s GLN 77 N 1.12 0.97 -0.92 4.03 -0.21 -0.51 -1.36 119.66 122.78 2d6k s GLN 77 Ca 0.01 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 54.75 2d6k s GLN 77 Cb -0.14 -0.95 0.05 0.00 1.00 0.00 0.00 33.01 32.96 2d6k s GLN 77 CO -0.04 0.25 0.22 0.09 -2.12 0.00 0.00 175.29 173.70 2d6k n ASN 78 N 2.37 -2.87 -0.34 5.90 3.02 -1.26 0.23 115.26 122.31 2d6k n ASN 78 Ca -0.16 -0.05 -0.04 0.00 -0.03 0.00 0.00 54.58 54.30 2d6k n ASN 78 Cb 0.55 -2.46 -0.02 0.00 -0.61 0.00 0.00 39.78 37.25 2d6k n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d6k n GLY 79 N -0.88 0.71 3.14 7.41 0.00 -1.26 -5.03 105.19 109.28 2d6k n GLY 79 Ca -0.04 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2d6k n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d6k s GLN 80 N -1.94 2.69 0.32 1.61 0.74 0.14 -5.11 119.66 118.11 2d6k s GLN 80 Ca 0.00 -0.74 -0.28 0.00 0.05 0.00 0.00 55.36 54.39 2d6k s GLN 80 Cb 0.00 -2.17 -0.09 0.00 1.10 0.00 0.00 33.01 31.85 2d6k s GLN 80 CO 0.00 0.01 1.14 -1.58 -0.55 0.00 0.00 175.29 174.32 2d6k s TRP 81 N 0.76 3.36 0.00 1.67 0.52 -1.26 -1.42 118.94 122.56 2d6k s TRP 81 Ca -0.10 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.64 2d6k s TRP 81 Cb -0.16 -3.35 0.00 0.00 -1.15 0.00 0.00 33.47 28.81 2d6k s TRP 81 CO 0.01 -0.92 0.00 0.41 0.02 0.00 0.00 176.95 176.47 2d6k n GLY 82 N 0.92 0.76 3.71 0.98 0.00 -0.43 -4.96 105.19 106.17 2d6k n GLY 82 Ca 0.01 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2d6k n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6k s PRO 83 N -1.39 4.37 0.36 1.61 0.04 -1.26 -4.84 135.00 133.89 2d6k s PRO 83 Ca 0.00 1.92 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 2d6k s PRO 83 Cb 0.00 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2d6k s PRO 83 CO 0.00 -0.37 1.14 -1.21 0.04 0.00 0.00 177.00 176.60 2d6k s GLU 84 N 1.24 4.26 -0.23 4.56 2.02 -1.26 -4.83 118.70 124.46 2d6k s GLU 84 Ca 0.62 1.81 -0.06 0.00 0.02 0.00 0.00 54.97 57.36 2d6k s GLU 84 Cb -0.33 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 2d6k s GLU 84 CO 0.29 -0.13 0.01 -1.21 0.02 0.00 0.00 175.26 174.24 2d6k s GLU 85 N -2.05 3.52 -0.19 1.61 2.02 -0.06 -4.99 118.70 118.56 2d6k s GLU 85 Ca 0.53 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.95 2d6k s GLU 85 Cb -0.30 -3.16 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 2d6k s GLU 85 CO 0.39 -0.18 -0.10 1.03 0.02 0.00 0.00 175.26 176.42 2d6k s ARG 86 N 1.50 3.31 -0.27 1.61 0.52 -1.26 -0.97 118.95 123.39 2d6k s ARG 86 Ca 0.06 -0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 54.44 2d6k s ARG 86 Cb -0.15 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 2d6k s ARG 86 CO 0.00 -0.08 0.37 0.21 0.02 0.00 0.00 175.30 175.83 2d6k s LYS 87 N 1.11 4.02 -1.24 3.54 2.47 -0.41 -4.95 119.74 124.28 2d6k s LYS 87 Ca 0.01 0.04 -0.09 0.00 -1.56 0.00 0.00 55.97 54.36 2d6k s LYS 87 Cb -0.14 -3.65 0.19 0.00 -1.46 0.00 0.00 37.83 32.76 2d6k s LYS 87 CO -0.02 -0.27 1.72 -1.33 0.16 0.00 0.00 175.35 175.60 2d6k n MET 88 N 5.32 3.69 -3.64 4.03 2.81 -1.26 -0.71 117.12 127.36 2d6k n MET 88 Ca -0.08 -3.76 -0.08 0.00 -1.81 0.00 0.00 57.70 51.97 2d6k n MET 88 Cb 0.51 -2.88 -0.07 0.00 -0.71 0.00 0.00 33.22 30.07 2d6k n MET 88 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2d6k s GLN 89 N 0.13 0.42 -0.31 0.03 0.74 -1.20 -4.94 119.66 114.53 2d6k s GLN 89 Ca 0.39 0.50 -0.01 0.00 0.05 0.00 0.00 55.36 56.29 2d6k s GLN 89 Cb 0.06 0.20 0.06 0.00 1.10 0.00 0.00 33.01 34.44 2d6k s GLN 89 CO 0.01 -0.05 0.02 1.41 -0.55 0.00 0.00 175.29 176.13 2d6k s MET 90 N 0.20 2.28 0.00 1.67 -2.45 -1.25 -3.95 119.30 115.80 2d6k s MET 90 Ca 0.04 -1.40 0.27 0.00 -1.25 0.00 0.00 55.69 53.35 2d6k s MET 90 Cb -0.05 -3.21 0.83 0.00 1.25 0.00 0.00 34.83 33.66 2d6k s MET 90 CO -0.08 -0.70 1.62 -0.35 1.05 0.00 0.00 175.02 176.56 2d6k n PRO 91 N 4.57 0.65 -3.67 4.11 -0.04 -1.26 -4.81 135.00 134.54 2d6k n PRO 91 Ca -0.10 -0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 62.65 2d6k n PRO 91 Cb 0.43 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 2d6k n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6k s PHE 92 N -2.59 3.35 -0.01 0.54 0.08 -1.26 -4.91 117.98 113.18 2d6k s PHE 92 Ca 0.23 0.27 -0.20 0.00 0.12 0.00 0.00 56.93 57.35 2d6k s PHE 92 Cb 0.19 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 40.35 2d6k s PHE 92 CO 0.54 0.14 0.58 -0.65 -0.10 0.00 0.00 175.22 175.72 2d6k s GLN 93 N 0.83 4.29 0.58 0.44 -0.21 -1.26 -5.07 119.66 119.26 2d6k s GLN 93 Ca 0.08 0.70 -0.18 0.00 0.02 0.00 0.00 55.36 55.98 2d6k s GLN 93 Cb -0.13 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.51 2d6k s GLN 93 CO 0.02 0.39 1.13 -1.59 -2.12 0.00 0.00 175.29 173.12 2d6k s LYS 94 N -0.24 3.16 0.00 2.91 -2.85 -1.26 -2.55 119.74 118.91 2d6k s LYS 94 Ca 0.30 1.55 0.00 0.00 -1.00 0.00 0.00 55.97 56.82 2d6k s LYS 94 Cb -0.18 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 2d6k s LYS 94 CO 0.17 -0.99 0.00 0.41 0.10 0.00 0.00 175.35 175.03 2d6k n GLY 95 N -0.05 1.55 3.91 0.59 0.00 -0.32 -4.84 105.19 106.04 2d6k n GLY 95 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2d6k n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6k s MET 96 N -0.08 3.38 0.82 1.61 -1.94 -1.06 -4.77 119.30 117.26 2d6k s MET 96 Ca 0.00 -0.50 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 2d6k s MET 96 Cb 0.00 -2.99 0.09 0.00 2.01 0.00 0.00 34.83 33.93 2d6k s MET 96 CO 0.00 0.59 1.09 -1.25 -0.01 0.00 0.00 175.02 175.44 2d6k s PRO 97 N -2.65 1.85 -0.02 2.03 0.04 -1.26 -2.24 135.00 132.75 2d6k s PRO 97 Ca 0.34 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 2d6k s PRO 97 Cb -0.12 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2d6k s PRO 97 CO 0.27 -1.86 0.31 -0.59 0.04 0.00 0.00 177.00 175.18 2d6k s PHE 98 N -2.96 -0.20 -0.46 0.56 -0.12 0.28 -4.90 117.98 110.17 2d6k s PHE 98 Ca 0.62 0.32 -0.08 0.00 -0.05 0.00 0.00 56.93 57.74 2d6k s PHE 98 Cb -0.17 0.10 0.12 0.00 -0.63 0.00 0.00 43.02 42.44 2d6k s PHE 98 CO 0.56 -0.37 0.33 -2.00 -0.05 0.00 0.00 175.22 173.69 2d6k s GLU 99 N -1.19 2.41 -0.23 1.99 2.12 -1.26 -1.66 118.70 120.88 2d6k s GLU 99 Ca -0.12 -1.78 -0.14 0.00 0.36 0.00 0.00 54.97 53.29 2d6k s GLU 99 Cb -0.05 -3.88 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2d6k s GLU 99 CO 0.04 -1.18 0.31 -1.17 -0.54 0.00 0.00 175.26 172.72 2d6k s LEU 100 N 1.33 4.11 -0.13 2.70 2.96 0.13 -0.74 118.68 129.03 2d6k s LEU 100 Ca 0.06 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2d6k s LEU 100 Cb -0.26 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.11 2d6k s LEU 100 CO -0.01 -0.05 -0.06 0.00 -1.32 0.00 0.00 176.35 174.90 2d6k s PHE 102 N 1.70 3.15 -0.31 0.00 0.08 0.16 -0.22 117.98 122.55 2d6k s PHE 102 Ca 0.03 -0.91 -0.11 0.00 0.12 0.00 0.00 56.93 56.06 2d6k s PHE 102 Cb -0.14 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2d6k s PHE 102 CO -0.08 -0.56 0.18 -1.17 -0.10 0.00 0.00 175.22 173.50 2d6k s LEU 103 N 1.52 4.20 -0.31 -0.37 2.96 0.21 -0.76 118.68 126.12 2d6k s LEU 103 Ca 0.03 -0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 2d6k s LEU 103 Cb -0.17 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.47 2d6k s LEU 103 CO 0.03 -0.17 1.08 -0.69 -1.32 0.00 0.00 176.35 175.28 2d6k s VAL 104 N 1.68 4.51 0.45 1.68 1.01 0.00 -0.39 120.40 129.34 2d6k s VAL 104 Ca 0.06 1.75 0.05 0.00 0.00 0.00 0.00 61.98 63.84 2d6k s VAL 104 Cb -0.17 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2d6k s VAL 104 CO 0.08 -0.45 0.06 -1.10 0.00 0.00 0.00 175.10 173.69 2d6k s GLN 105 N 3.62 2.09 0.17 2.72 -0.21 -0.14 -0.55 119.66 127.37 2d6k s GLN 105 Ca 0.46 -2.15 -0.15 0.00 0.02 0.00 0.00 55.36 53.53 2d6k s GLN 105 Cb -0.13 -1.69 0.14 0.00 1.00 0.00 0.00 33.01 32.33 2d6k s GLN 105 CO 0.15 -0.19 1.70 -0.09 -2.12 0.00 0.00 175.29 174.74 2d6k h ARG 106 N 1.53 0.13 -0.03 2.91 2.43 -1.97 -3.23 114.38 116.14 2d6k h ARG 106 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2d6k h ARG 106 Cb 1.27 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2d6k h ARG 106 CO 0.76 0.08 0.00 -1.13 -1.51 0.00 0.00 179.97 178.17 2d6k n SER 107 N -5.18 1.70 -3.56 -3.80 3.41 -1.26 -4.97 113.62 99.96 2d6k n SER 107 Ca 0.04 -1.37 -0.08 0.00 -0.26 0.00 0.00 58.87 57.20 2d6k n SER 107 Cb 0.22 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2d6k n SER 107 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2d6k s GLU 108 N -0.65 1.04 0.01 4.33 1.03 -1.22 -2.81 118.70 120.43 2d6k s GLU 108 Ca 0.09 -0.45 -0.27 0.00 0.03 0.00 0.00 54.97 54.38 2d6k s GLU 108 Cb 0.06 0.44 -0.04 0.00 -0.80 0.00 0.00 34.13 33.79 2d6k s GLU 108 CO 0.09 -0.46 0.85 -0.06 -1.33 0.00 0.00 175.26 174.35 2d6k s PHE 109 N -3.32 3.67 -0.19 4.83 0.08 0.14 -0.97 117.98 122.22 2d6k s PHE 109 Ca 0.06 1.53 -0.05 0.00 0.12 0.00 0.00 56.93 58.59 2d6k s PHE 109 Cb -0.01 -2.95 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2d6k s PHE 109 CO -0.07 0.11 -0.00 0.21 -0.10 0.00 0.00 175.22 175.37 2d6k s LYS 110 N 0.57 3.68 -0.24 0.44 2.20 0.48 -1.69 119.74 125.18 2d6k s LYS 110 Ca 0.44 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.50 2d6k s LYS 110 Cb -0.20 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2d6k s LYS 110 CO 0.24 0.11 0.01 0.08 -0.36 0.00 0.00 175.35 175.43 2d6k s VAL 111 N 0.75 3.78 -0.13 4.02 1.01 0.47 0.68 120.40 130.98 2d6k s VAL 111 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 2d6k s VAL 111 Cb -0.14 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2d6k s VAL 111 CO 0.02 0.35 -0.10 -0.04 0.00 0.00 0.00 175.10 175.33 2d6k s MET 112 N 1.53 3.39 -0.13 2.72 1.00 0.70 0.04 119.30 128.55 2d6k s MET 112 Ca 0.06 -0.62 0.02 0.00 0.00 0.00 0.00 55.69 55.14 2d6k s MET 112 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 34.83 31.99 2d6k s MET 112 CO -0.00 0.27 -0.20 0.08 0.00 0.00 0.00 175.02 175.17 2d6k s VAL 113 N 0.22 1.90 -1.58 -6.03 1.01 -0.24 0.09 120.40 115.78 2d6k s VAL 113 Ca -0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 2d6k s VAL 113 Cb -0.15 -1.70 0.08 0.00 0.00 0.00 0.00 36.38 34.61 2d6k s VAL 113 CO 0.04 0.52 0.52 0.59 0.00 0.00 0.00 175.10 176.78 2d6k n ASN 114 N 4.15 -1.47 0.00 3.32 3.02 0.08 -1.16 115.26 123.20 2d6k n ASN 114 Ca -0.20 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2d6k n ASN 114 Cb 0.51 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 2d6k n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6k n LYS 115 N -4.40 -0.11 -4.49 3.52 4.76 -1.26 -5.00 118.16 111.18 2d6k n LYS 115 Ca -0.13 0.03 -0.34 0.00 -2.87 0.00 0.00 58.31 54.99 2d6k n LYS 115 Cb 0.60 -3.00 -0.11 0.00 -1.84 0.00 0.00 35.03 30.68 2d6k n LYS 115 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2d6k s LYS 116 N -0.22 2.98 0.08 1.97 -0.14 -0.31 -5.08 119.74 119.02 2d6k s LYS 116 Ca 0.00 -0.48 -0.34 0.00 -1.36 0.00 0.00 55.97 53.78 2d6k s LYS 116 Cb 0.00 -2.72 -0.14 0.00 -1.68 0.00 0.00 37.83 33.29 2d6k s LYS 116 CO 0.00 0.62 1.64 0.34 -0.76 0.00 0.00 175.35 177.19 2d6k n PHE 117 N 2.37 2.21 -0.04 3.18 7.35 -1.26 -1.08 117.46 130.20 2d6k n PHE 117 Ca -0.18 0.24 -0.08 0.00 -0.76 0.00 0.00 57.45 56.67 2d6k n PHE 117 Cb 0.53 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.78 2d6k n PHE 117 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d6k n PHE 118 N 4.19 0.00 -3.72 -5.13 7.35 0.11 -4.85 117.46 115.40 2d6k n PHE 118 Ca 0.19 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.78 2d6k n PHE 118 Cb 0.28 -0.33 -0.05 0.00 0.35 0.00 0.00 39.48 39.73 2d6k n PHE 118 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2d6k s VAL 119 N -2.38 0.07 0.27 -2.13 -7.23 -1.11 -5.02 120.40 102.87 2d6k s VAL 119 Ca -0.16 -0.79 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 2d6k s VAL 119 Cb 0.04 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2d6k s VAL 119 CO 0.22 -0.32 0.18 -1.10 -0.31 0.00 0.00 175.10 173.77 2d6k s GLN 120 N -3.84 2.78 -0.23 4.82 -0.21 -1.26 -0.39 119.66 121.32 2d6k s GLN 120 Ca 0.06 -1.16 -0.03 0.00 0.02 0.00 0.00 55.36 54.24 2d6k s GLN 120 Cb 0.02 -2.47 0.10 0.00 1.00 0.00 0.00 33.01 31.66 2d6k s GLN 120 CO -0.09 0.34 0.21 -0.47 -2.12 0.00 0.00 175.29 173.17 2d6k s TYR 121 N -2.20 -0.19 0.28 0.91 5.04 -0.68 -4.99 117.35 115.53 2d6k s TYR 121 Ca 0.34 -0.09 -0.30 0.00 -2.44 0.00 0.00 57.07 54.58 2d6k s TYR 121 Cb -0.07 -0.50 -0.11 0.00 0.35 0.00 0.00 41.96 41.63 2d6k s TYR 121 CO 0.24 -0.71 1.51 -1.14 -1.34 0.00 0.00 175.55 174.12 2d6k s GLN 122 N 2.28 4.19 0.25 4.97 0.74 -1.26 -0.69 119.66 130.15 2d6k s GLN 122 Ca 0.07 2.45 -0.31 0.00 0.05 0.00 0.00 55.36 57.62 2d6k s GLN 122 Cb -0.15 -3.06 -0.13 0.00 1.10 0.00 0.00 33.01 30.78 2d6k s GLN 122 CO -0.21 -0.52 1.54 0.72 -0.55 0.00 0.00 175.29 176.27 2d6k n HIS 123 N 2.04 2.54 -0.04 1.67 8.25 -1.12 -4.90 115.22 123.66 2d6k n HIS 123 Ca 0.07 0.30 -0.04 0.00 -0.26 0.00 0.00 57.72 57.79 2d6k n HIS 123 Cb 0.39 -2.55 -0.08 0.00 1.12 0.00 0.00 29.99 28.87 2d6k n HIS 123 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2d6k n ARG 124 N 2.40 2.24 -4.31 -0.41 1.74 -1.26 -4.97 116.66 112.09 2d6k n ARG 124 Ca 0.11 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.90 2d6k n ARG 124 Cb 0.34 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 2d6k n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6k s VAL 125 N -2.28 2.98 0.22 1.55 -7.23 -1.26 -5.09 120.40 109.29 2d6k s VAL 125 Ca -0.05 -1.67 -0.32 0.00 -1.81 0.00 0.00 61.98 58.13 2d6k s VAL 125 Cb 0.03 -2.44 -0.13 0.00 0.56 0.00 0.00 36.38 34.40 2d6k s VAL 125 CO 0.40 -0.05 1.54 -2.65 -0.31 0.00 0.00 175.10 174.03 2d6k n PRO 126 N 0.28 2.29 0.31 4.82 -0.02 -1.26 -4.83 135.00 136.59 2d6k n PRO 126 Ca -0.12 0.82 0.20 0.00 -2.02 0.00 0.00 63.50 62.38 2d6k n PRO 126 Cb 0.55 -2.56 1.03 0.00 -0.02 0.00 0.00 33.50 32.49 2d6k n PRO 126 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2d6k h TYR 127 N 5.28 0.00 0.00 6.00 -0.00 -1.97 -2.56 116.97 123.72 2d6k h TYR 127 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2d6k h TYR 127 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 2d6k h TYR 127 CO 0.60 0.01 0.00 1.12 -0.00 0.00 0.00 178.16 179.89 2d6k h HIS 128 N 0.00 0.00 0.00 0.10 2.07 -1.88 -2.52 115.15 112.92 2d6k h HIS 128 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2d6k h HIS 128 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.14 2d6k h HIS 128 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 2d6k h LEU 129 N 0.00 0.00 -8.95 6.12 3.38 -1.82 -3.42 115.31 110.61 2d6k h LEU 129 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2d6k h LEU 129 Cb 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 2d6k h LEU 129 CO 0.00 0.00 0.67 -0.69 0.09 0.00 0.00 178.44 178.51 2d6k s VAL 130 N -3.52 4.64 0.00 1.22 1.01 -0.95 -4.19 120.40 118.61 2d6k s VAL 130 Ca 0.02 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2d6k s VAL 130 Cb 0.09 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2d6k s VAL 130 CO 0.46 -0.36 0.82 -0.90 0.00 0.00 0.00 175.10 175.13 2d6k n ASP 131 N 6.55 1.36 -3.77 3.32 5.68 -0.96 -1.45 116.55 127.28 2d6k n ASP 131 Ca 0.09 -1.65 -0.15 0.00 -0.50 0.00 0.00 54.79 52.58 2d6k n ASP 131 Cb 0.47 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.29 2d6k n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6k s THR 132 N -0.65 -0.06 -0.16 2.12 2.01 -0.84 -0.28 115.64 117.78 2d6k s THR 132 Ca 0.00 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 2d6k s THR 132 Cb 0.00 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 2d6k s THR 132 CO 0.00 0.09 -0.00 -0.51 -0.69 0.00 0.00 174.62 173.51 2d6k s ILE 133 N 1.08 4.22 -0.09 1.82 2.07 -0.61 -1.40 121.20 128.30 2d6k s ILE 133 Ca -0.09 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 2d6k s ILE 133 Cb -0.13 -2.86 0.01 0.00 0.13 0.00 0.00 42.46 39.60 2d6k s ILE 133 CO -0.03 0.49 -0.18 0.00 -1.91 0.00 0.00 174.94 173.31 2d6k s ALA 134 N 0.25 1.74 -0.11 1.50 0.00 0.26 -1.60 121.76 123.81 2d6k s ALA 134 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2d6k s ALA 134 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2d6k s ALA 134 CO 0.02 0.16 -0.15 0.08 0.00 0.00 0.00 175.76 175.87 2d6k s VAL 135 N 0.57 1.52 0.26 0.00 1.01 -0.13 -0.55 120.40 123.07 2d6k s VAL 135 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2d6k s VAL 135 Cb -0.17 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2d6k s VAL 135 CO 0.05 0.45 0.24 -0.94 0.00 0.00 0.00 175.10 174.89 2d6k s SER 136 N 1.02 0.65 0.00 3.32 1.04 -0.80 0.06 113.70 118.98 2d6k s SER 136 Ca -0.06 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.91 2d6k s SER 136 Cb -0.15 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2d6k s SER 136 CO -0.02 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2d6k n GLY 137 N -0.41 -1.77 3.01 7.32 0.00 -1.26 -1.53 105.19 110.55 2d6k n GLY 137 Ca 0.03 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2d6k n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6k s LEU 139 N 2.25 -0.28 0.21 0.00 2.34 -1.26 -1.72 118.68 120.22 2d6k s LEU 139 Ca 0.47 -0.40 0.09 0.00 0.06 0.00 0.00 54.13 54.34 2d6k s LEU 139 Cb 0.10 2.56 -0.05 0.00 -0.56 0.00 0.00 46.19 48.24 2d6k s LEU 139 CO -0.03 -1.17 -0.16 -1.59 -1.06 0.00 0.00 176.35 172.34 2d6k s LYS 140 N -3.86 1.37 -0.06 1.48 0.00 -0.39 -4.85 119.74 113.43 2d6k s LYS 140 Ca 0.08 -1.57 0.01 0.00 0.00 0.00 0.00 55.97 54.49 2d6k s LYS 140 Cb -0.03 -1.29 0.02 0.00 0.00 0.00 0.00 37.83 36.53 2d6k s LYS 140 CO -0.01 0.23 -0.05 -0.51 0.00 0.00 0.00 175.35 175.01 2d6k s LEU 141 N -3.16 1.22 -0.01 2.77 1.43 -1.26 -0.83 118.68 118.84 2d6k s LEU 141 Ca 0.22 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 2d6k s LEU 141 Cb -0.03 -0.57 -0.31 0.00 0.03 0.00 0.00 46.19 45.31 2d6k s LEU 141 CO 0.08 -0.08 0.82 0.77 0.23 0.00 0.00 176.35 178.17 2d6k h SER 142 N 7.51 0.59 -4.99 2.29 4.64 -1.63 -3.26 113.55 118.71 2d6k h SER 142 Ca -0.32 -0.79 -0.17 0.00 -0.47 0.00 0.00 61.79 60.04 2d6k h SER 142 Cb 1.15 -0.19 -0.20 0.00 -0.31 0.00 0.00 62.40 62.84 2d6k h SER 142 CO 0.42 1.65 -0.70 -0.36 -0.87 0.00 0.00 176.83 176.97 2d6k s PHE 143 N -2.60 0.31 -0.18 4.77 0.08 -1.02 0.10 117.98 119.44 2d6k s PHE 143 Ca -0.12 -0.58 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 2d6k s PHE 143 Cb 0.06 -0.22 0.05 0.00 -0.57 0.00 0.00 43.02 42.33 2d6k s PHE 143 CO 0.88 -0.20 -0.02 0.42 -0.10 0.00 0.00 175.22 176.20 2d6k s ILE 144 N -1.69 0.94 0.33 0.64 1.01 -0.98 -2.05 121.20 119.40 2d6k s ILE 144 Ca -0.13 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 59.93 2d6k s ILE 144 Cb -0.08 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2d6k s ILE 144 CO -0.02 -0.02 0.25 0.42 0.00 0.00 0.00 174.94 175.57 2d6k s THR 145 N 1.69 3.45 -0.07 2.92 -4.23 -0.49 -1.88 115.64 117.03 2d6k s THR 145 Ca -0.01 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.03 2d6k s THR 145 Cb -0.16 -3.14 0.03 0.00 1.34 0.00 0.00 72.50 70.57 2d6k s THR 145 CO -0.07 -0.19 0.02 -0.36 -0.54 0.00 0.00 174.62 173.48 2d6k s PHE 146 N -2.33 0.52 0.31 3.99 0.08 -1.26 -1.80 117.98 117.49 2d6k s PHE 146 Ca 0.40 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.38 2d6k s PHE 146 Cb -0.05 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 2d6k s PHE 146 CO 0.25 -0.31 0.17 1.14 -0.10 0.00 0.00 175.22 176.37 2d6k s GLN 147 N 2.02 1.61 0.00 0.44 0.00 -0.91 -3.58 119.66 119.25 2d6k s GLN 147 Ca 0.05 -1.92 0.07 0.00 -0.00 0.00 0.00 55.36 53.55 2d6k s GLN 147 Cb -0.13 -0.05 0.06 0.00 0.00 0.00 0.00 33.01 32.89 2d6k s GLN 147 CO -0.05 -0.47 0.72 2.41 0.00 0.00 0.00 175.29 177.90