#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 -0.83 0.04 1.61 1.04 -1.26 -5.17 113.70 109.13 2d8k s SER 2 Ca 0.00 1.14 -0.15 0.00 0.48 0.00 0.00 55.95 57.42 2d8k s SER 2 Cb 0.00 1.94 0.02 0.00 0.10 0.00 0.00 66.02 68.08 2d8k s SER 2 CO 0.00 -0.16 0.34 -0.94 0.98 0.00 0.00 173.24 173.46 2d8k s SER 3 N 2.64 -0.18 0.00 7.02 1.04 -1.26 -5.08 113.70 117.88 2d8k s SER 3 Ca -0.04 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2d8k s SER 3 Cb -0.09 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2d8k s SER 3 CO -0.18 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2d8k n GLY 4 N 0.62 -1.67 3.91 7.32 0.00 -1.26 -5.17 105.19 108.94 2d8k n GLY 4 Ca -0.19 0.52 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 2d8k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 5 N 0.00 5.44 -0.08 1.61 0.01 -1.26 -5.06 113.70 114.37 2d8k s SER 5 Ca 0.00 0.83 -0.17 0.00 1.31 0.00 0.00 55.95 57.92 2d8k s SER 5 Cb 0.00 -1.71 -0.05 0.00 0.21 0.00 0.00 66.02 64.47 2d8k s SER 5 CO 0.00 -1.23 0.45 -0.44 0.41 0.00 0.00 173.24 172.43 2d8k s SER 6 N -4.35 6.73 0.12 2.44 0.01 -1.26 -4.86 113.70 112.52 2d8k s SER 6 Ca 0.56 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2d8k s SER 6 Cb -0.11 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2d8k s SER 6 CO 0.47 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.85 2d8k n GLY 7 N 2.79 -4.02 2.98 3.44 0.00 -1.26 -4.99 105.19 104.13 2d8k n GLY 7 Ca -0.09 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2d8k n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8k s SER 8 N -1.03 4.39 -0.20 1.61 0.01 -1.26 -5.08 113.70 112.14 2d8k s SER 8 Ca 0.00 -1.69 -0.33 0.00 1.31 0.00 0.00 55.95 55.24 2d8k s SER 8 Cb 0.00 -1.41 0.15 0.00 0.21 0.00 0.00 66.02 64.97 2d8k s SER 8 CO 0.00 -0.31 1.20 0.00 0.41 0.00 0.00 173.24 174.55 2d8k s ARG 9 N 1.15 0.31 -0.30 12.44 1.70 -1.26 -5.16 118.95 127.82 2d8k s ARG 9 Ca 0.02 -0.06 -0.12 0.00 -0.47 0.00 0.00 55.73 55.11 2d8k s ARG 9 Cb -0.19 0.14 0.17 0.00 -0.57 0.00 0.00 34.95 34.50 2d8k s ARG 9 CO -0.09 -0.12 0.92 -1.83 -1.08 0.00 0.00 175.30 173.10 2d8k s GLU 10 N -1.98 0.33 -1.12 3.89 1.03 -1.26 -5.09 118.70 114.50 2d8k s GLU 10 Ca 0.08 0.72 -0.19 0.00 0.03 0.00 0.00 54.97 55.61 2d8k s GLU 10 Cb -0.01 0.42 0.09 0.00 -0.80 0.00 0.00 34.13 33.83 2d8k s GLU 10 CO -0.05 -0.22 1.48 -0.80 -1.33 0.00 0.00 175.26 174.35 2d8k s ASN 11 N 2.69 6.72 0.03 0.83 0.01 -1.26 -4.75 114.94 119.20 2d8k s ASN 11 Ca 0.01 -2.10 -0.07 0.00 -0.71 0.00 0.00 52.86 49.99 2d8k s ASN 11 Cb -0.09 -2.52 -0.30 0.00 0.41 0.00 0.00 41.25 38.75 2d8k s ASN 11 CO -0.16 -1.21 0.97 -0.07 -1.51 0.00 0.00 177.10 175.11 2d8k h LEU 12 N 11.85 0.53 0.00 0.60 -0.00 -1.80 -3.41 115.31 123.08 2d8k h LEU 12 Ca 0.29 -0.64 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2d8k h LEU 12 Cb 0.95 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2d8k h LEU 12 CO 1.36 1.51 0.00 0.61 -0.00 0.00 0.00 178.44 181.92 2d8k n GLY 13 N 1.65 0.54 3.30 0.83 0.00 -0.92 -4.11 105.19 106.47 2d8k n GLY 13 Ca -0.15 -2.22 -0.11 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.15 0.96 -0.03 1.61 1.70 -0.11 -1.84 118.95 121.08 2d8k s ARG 14 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2d8k s ARG 14 Cb 0.00 0.42 0.03 0.00 -0.57 0.00 0.00 34.95 34.83 2d8k s ARG 14 CO 0.00 -0.34 -0.01 -1.50 -1.08 0.00 0.00 175.30 172.37 2d8k s ILE 15 N -3.08 0.22 -0.37 4.99 2.07 -0.98 -1.99 121.20 122.07 2d8k s ILE 15 Ca -0.01 0.06 -0.13 0.00 -1.41 0.00 0.00 60.65 59.15 2d8k s ILE 15 Cb 0.01 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.29 2d8k s ILE 15 CO -0.07 0.16 0.25 -1.58 -1.91 0.00 0.00 174.94 171.79 2d8k s GLN 16 N 1.01 3.18 -0.01 3.50 0.74 -1.12 -3.74 119.66 123.21 2d8k s GLN 16 Ca -0.10 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.48 2d8k s GLN 16 Cb -0.14 -3.84 -0.01 0.00 1.10 0.00 0.00 33.01 30.13 2d8k s GLN 16 CO -0.01 -0.60 -0.11 -0.59 -0.55 0.00 0.00 175.29 173.43 2d8k s PHE 17 N 1.67 1.01 -0.12 1.67 -0.12 -1.20 -0.59 117.98 120.30 2d8k s PHE 17 Ca 0.05 -0.21 -0.07 0.00 -0.05 0.00 0.00 56.93 56.65 2d8k s PHE 17 Cb -0.18 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.50 2d8k s PHE 17 CO 0.09 -0.05 0.13 0.45 -0.05 0.00 0.00 175.22 175.79 2d8k s SER 18 N -0.12 6.27 0.05 1.98 0.15 0.12 -2.88 113.70 119.26 2d8k s SER 18 Ca 0.02 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.17 2d8k s SER 18 Cb -0.06 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2d8k s SER 18 CO -0.00 0.39 -0.20 -0.69 1.20 0.00 0.00 173.24 173.94 2d8k s VAL 19 N -0.92 2.63 -0.30 4.45 1.01 -0.87 -1.33 120.40 125.08 2d8k s VAL 19 Ca 0.14 -1.26 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 2d8k s VAL 19 Cb -0.12 -2.10 0.21 0.00 0.00 0.00 0.00 36.38 34.38 2d8k s VAL 19 CO 0.03 0.33 1.29 -0.83 0.00 0.00 0.00 175.10 175.92 2d8k s GLY 20 N -1.44 0.63 -0.03 4.51 0.00 -0.43 -1.78 107.32 108.78 2d8k s GLY 20 Ca 0.14 3.88 0.02 0.00 0.00 0.00 0.00 44.72 48.76 2d8k s GLY 20 CO 0.05 2.91 -0.04 -0.47 0.00 0.00 0.00 173.10 175.54 2d8k s TYR 21 N 1.20 2.98 -0.18 1.90 6.14 -1.14 0.93 117.35 129.18 2d8k s TYR 21 Ca -0.06 0.03 -0.07 0.00 0.64 0.00 0.00 57.07 57.61 2d8k s TYR 21 Cb -0.02 -1.67 -0.04 0.00 0.42 0.00 0.00 41.96 40.65 2d8k s TYR 21 CO -0.11 0.39 0.06 -0.80 0.64 0.00 0.00 175.55 175.73 2d8k s ASN 22 N -1.21 5.59 -0.05 4.32 -0.87 0.38 -4.52 114.94 118.58 2d8k s ASN 22 Ca 0.16 0.08 -0.13 0.00 -1.57 0.00 0.00 52.86 51.40 2d8k s ASN 22 Cb -0.11 -1.95 -0.07 0.00 -0.02 0.00 0.00 41.25 39.09 2d8k s ASN 22 CO 0.06 0.18 0.52 -0.26 -2.57 0.00 0.00 177.10 175.03 2d8k h PHE 23 N 6.66 -0.41 -0.67 2.20 -1.00 -1.96 0.40 116.94 122.17 2d8k h PHE 23 Ca -0.37 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.51 2d8k h PHE 23 Cb 1.17 0.14 -0.08 0.00 3.61 0.00 0.00 35.95 40.79 2d8k h PHE 23 CO 0.56 -0.25 0.27 1.96 -1.61 0.00 0.00 178.31 179.24 2d8k h GLN 24 N -1.11 0.43 0.00 1.51 4.20 -1.98 0.36 115.11 118.52 2d8k h GLN 24 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2d8k h GLN 24 Cb 0.35 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2d8k h GLN 24 CO 0.07 0.29 -0.03 0.93 -0.67 0.00 0.00 178.83 179.43 2d8k h GLU 25 N 0.45 0.00 -6.28 1.46 5.08 -1.99 -3.47 114.58 109.82 2d8k h GLU 25 Ca 0.34 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.25 2d8k h GLU 25 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2d8k h GLU 25 CO -0.33 0.00 -0.86 0.43 -1.00 0.00 0.00 179.01 177.25 2d8k n SER 26 N -2.92 -0.78 -3.92 1.42 7.64 0.14 -4.98 113.62 110.23 2d8k n SER 26 Ca 0.04 -0.91 -0.10 0.00 1.01 0.00 0.00 58.87 58.92 2d8k n SER 26 Cb 0.51 -3.58 -0.09 0.00 -1.01 0.00 0.00 64.21 60.04 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 -3.81 0.13 -0.01 0.44 2.01 -0.90 -4.54 115.64 108.96 2d8k s THR 27 Ca 0.01 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 2d8k s THR 27 Cb -0.00 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 2d8k s THR 27 CO 0.85 -0.59 0.33 -0.22 -0.69 0.00 0.00 174.62 174.30 2d8k s LEU 28 N -2.12 4.42 -0.23 4.42 2.96 -1.23 -0.47 118.68 126.43 2d8k s LEU 28 Ca -0.05 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 2d8k s LEU 28 Cb -0.01 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.18 2d8k s LEU 28 CO -0.04 0.31 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.28 2d8k s THR 29 N -1.15 2.30 -0.41 3.68 2.01 0.27 -3.11 115.64 119.23 2d8k s THR 29 Ca 0.24 -1.29 0.03 0.00 0.31 0.00 0.00 61.69 60.98 2d8k s THR 29 Cb -0.15 -2.20 0.11 0.00 0.01 0.00 0.00 72.50 70.28 2d8k s THR 29 CO 0.12 0.19 0.15 -0.69 -0.69 0.00 0.00 174.62 173.71 2d8k s VAL 30 N 1.21 2.05 -0.08 3.82 1.01 -1.18 -1.32 120.40 125.91 2d8k s VAL 30 Ca -0.03 -2.56 -0.21 0.00 0.00 0.00 0.00 61.98 59.19 2d8k s VAL 30 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2d8k s VAL 30 CO -0.07 -0.72 0.59 -0.75 0.00 0.00 0.00 175.10 174.15 2d8k s LYS 31 N 0.54 4.38 -0.78 2.72 2.20 -0.44 -3.13 119.74 125.23 2d8k s LYS 31 Ca 0.14 0.68 -0.10 0.00 -0.36 0.00 0.00 55.97 56.33 2d8k s LYS 31 Cb -0.22 -3.43 0.20 0.00 -1.51 0.00 0.00 37.83 32.87 2d8k s LYS 31 CO -0.07 0.13 0.68 0.42 -0.36 0.00 0.00 175.35 176.16 2d8k s ILE 32 N 0.63 4.97 0.00 5.43 -1.09 -1.13 0.12 121.20 130.12 2d8k s ILE 32 Ca 0.32 -2.76 0.00 0.00 -2.23 0.00 0.00 60.65 55.98 2d8k s ILE 32 Cb -0.17 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2d8k s ILE 32 CO 0.15 -0.99 0.73 0.23 -1.23 0.00 0.00 174.94 173.83 2d8k n MET 33 N 3.65 0.00 -3.52 2.79 2.81 0.24 -1.27 117.12 121.81 2d8k n MET 33 Ca 0.13 0.73 0.01 0.00 -1.81 0.00 0.00 57.70 56.77 2d8k n MET 33 Cb 0.43 -1.23 0.01 0.00 -0.71 0.00 0.00 33.22 31.72 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 -1.94 0.21 -4.28 0.03 0.00 -1.23 -2.07 118.16 108.89 2d8k n LYS 34 Ca 0.00 -0.71 -0.23 0.00 -0.00 0.00 0.00 58.31 57.37 2d8k n LYS 34 Cb 0.00 1.12 -0.07 0.00 -0.00 0.00 0.00 35.03 36.08 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 -1.80 3.20 -0.07 0.58 0.00 -1.04 -2.80 121.76 119.82 2d8k s ALA 35 Ca 0.23 -1.67 -0.26 0.00 0.00 0.00 0.00 51.96 50.26 2d8k s ALA 35 Cb -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 23.12 22.40 2d8k s ALA 35 CO 0.00 0.24 0.59 -0.65 0.00 0.00 0.00 175.76 175.94 2d8k s GLN 36 N -3.69 0.91 -1.09 0.00 -0.21 -0.84 -4.37 119.66 110.37 2d8k s GLN 36 Ca 0.32 0.27 -0.00 0.00 0.02 0.00 0.00 55.36 55.97 2d8k s GLN 36 Cb -0.06 0.43 0.00 0.00 1.00 0.00 0.00 33.01 34.38 2d8k s GLN 36 CO 0.20 -0.25 0.91 0.39 -2.12 0.00 0.00 175.29 174.42 2d8k n GLU 37 N 1.32 -6.04 -3.71 2.91 1.02 -1.26 -0.94 120.64 113.95 2d8k n GLU 37 Ca -0.19 0.77 -0.36 0.00 -0.02 0.00 0.00 57.16 57.37 2d8k n GLU 37 Cb 0.57 -5.56 -0.07 0.00 -0.02 0.00 0.00 31.44 26.35 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 -5.97 4.28 0.83 -4.62 1.43 -1.26 -2.17 118.68 111.20 2d8k s LEU 38 Ca 0.01 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 2d8k s LEU 38 Cb -0.00 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 44.12 2d8k s LEU 38 CO 0.66 0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.40 2d8k s PRO 39 N -0.06 1.77 -0.74 1.29 0.04 -1.26 -4.93 135.00 131.11 2d8k s PRO 39 Ca 0.13 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.07 2d8k s PRO 39 Cb -0.12 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.76 2d8k s PRO 39 CO 0.02 -1.94 0.64 0.00 0.04 0.00 0.00 177.00 175.76 2d8k s ALA 40 N -2.92 3.89 0.24 8.56 0.00 -1.26 -4.90 121.76 125.37 2d8k s ALA 40 Ca 0.62 -3.24 -0.05 0.00 0.00 0.00 0.00 51.96 49.29 2d8k s ALA 40 Cb -0.18 -3.22 0.37 0.00 0.00 0.00 0.00 23.12 20.09 2d8k s ALA 40 CO 0.56 -2.20 1.80 0.87 0.00 0.00 0.00 175.76 176.79 2d8k h LYS 41 N 7.63 0.69 -6.88 0.00 1.79 -1.90 -3.41 116.57 114.48 2d8k h LYS 41 Ca 0.04 -0.04 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2d8k h LYS 41 Cb 1.02 -0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2d8k h LYS 41 CO 0.76 0.45 0.41 -0.51 -1.08 0.00 0.00 179.45 179.48 2d8k s ASP 42 N -5.56 7.10 0.26 0.86 1.01 -1.26 -4.95 116.67 114.13 2d8k s ASP 42 Ca -0.12 2.06 -0.03 0.00 0.71 0.00 0.00 52.55 55.16 2d8k s ASP 42 Cb 0.19 -2.60 0.34 0.00 1.01 0.00 0.00 42.92 41.86 2d8k s ASP 42 CO 0.77 -0.25 1.82 -0.26 0.21 0.00 0.00 175.17 177.46 2d8k h PHE 43 N 3.16 0.96 -0.84 4.23 -1.00 -1.89 -3.13 116.94 118.42 2d8k h PHE 43 Ca -0.47 -0.08 0.10 0.00 2.81 0.00 0.00 57.97 60.33 2d8k h PHE 43 Cb 1.21 -0.28 -0.12 0.00 3.61 0.00 0.00 35.95 40.36 2d8k h PHE 43 CO 0.59 0.77 -0.52 1.03 -1.61 0.00 0.00 178.31 178.57 2d8k h SER 44 N 0.91 -1.88 0.00 2.17 0.87 -1.93 -3.46 113.55 110.23 2d8k h SER 44 Ca 0.21 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2d8k h SER 44 Cb 0.25 0.85 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2d8k h SER 44 CO -0.01 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 176.62 2d8k n GLY 45 N -1.34 2.80 3.94 5.77 0.00 -1.18 -5.14 105.19 110.03 2d8k n GLY 45 Ca 0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 2.20 0.28 2.61 -1.32 -1.26 -4.65 115.64 113.50 2d8k s THR 46 Ca 0.00 -1.28 -0.19 0.00 -1.21 0.00 0.00 61.69 59.01 2d8k s THR 46 Cb 0.00 -2.48 0.02 0.00 -1.51 0.00 0.00 72.50 68.53 2d8k s THR 46 CO 0.00 0.00 0.69 -0.44 -2.21 0.00 0.00 174.62 172.66 2d8k s SER 47 N -4.34 -0.21 -0.85 8.08 0.01 -1.26 -4.28 113.70 110.85 2d8k s SER 47 Ca 0.47 -0.69 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 2d8k s SER 47 Cb -0.04 0.72 0.21 0.00 0.21 0.00 0.00 66.02 67.12 2d8k s SER 47 CO 0.29 -1.34 0.71 1.51 0.41 0.00 0.00 173.24 174.81 2d8k s ASP 48 N -2.95 5.74 0.67 2.44 -4.77 -1.26 -2.66 116.67 113.89 2d8k s ASP 48 Ca 0.13 -3.72 -0.14 0.00 -3.30 0.00 0.00 52.55 45.52 2d8k s ASP 48 Cb -0.05 -1.85 0.01 0.00 -1.09 0.00 0.00 42.92 39.93 2d8k s ASP 48 CO 0.08 -0.17 1.11 -2.16 0.70 0.00 0.00 175.17 174.72 2d8k s PRO 49 N -1.32 2.74 -0.19 2.11 0.04 -1.25 -2.85 135.00 134.27 2d8k s PRO 49 Ca 0.26 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 2d8k s PRO 49 Cb -0.07 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.58 2d8k s PRO 49 CO -0.13 -1.29 0.62 -0.59 0.04 0.00 0.00 177.00 175.65 2d8k s PHE 50 N -2.41 -0.66 0.16 0.56 -0.12 0.48 -3.81 117.98 112.19 2d8k s PHE 50 Ca 0.66 1.50 -0.19 0.00 -0.05 0.00 0.00 56.93 58.86 2d8k s PHE 50 Cb -0.20 0.26 -0.07 0.00 -0.63 0.00 0.00 43.02 42.38 2d8k s PHE 50 CO 0.43 -0.39 0.65 0.08 -0.05 0.00 0.00 175.22 175.94 2d8k s VAL 51 N -0.06 4.67 -0.21 -2.49 1.01 -1.26 -0.84 120.40 121.21 2d8k s VAL 51 Ca -0.03 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.13 2d8k s VAL 51 Cb -0.04 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.54 2d8k s VAL 51 CO 0.03 0.32 -0.07 -0.75 0.00 0.00 0.00 175.10 174.63 2d8k s LYS 52 N -1.71 1.71 0.06 2.72 2.20 -0.74 -1.55 119.74 122.43 2d8k s LYS 52 Ca 0.38 -0.85 -0.17 0.00 -0.36 0.00 0.00 55.97 54.97 2d8k s LYS 52 Cb -0.17 -2.43 -0.06 0.00 -1.51 0.00 0.00 37.83 33.66 2d8k s LYS 52 CO 0.20 -0.51 0.51 0.42 -0.36 0.00 0.00 175.35 175.62 2d8k s ILE 53 N 1.44 4.85 -0.18 5.43 1.01 0.35 -2.00 121.20 132.10 2d8k s ILE 53 Ca -0.03 1.03 -0.08 0.00 0.00 0.00 0.00 60.65 61.57 2d8k s ILE 53 Cb -0.17 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.56 2d8k s ILE 53 CO -0.07 0.51 0.41 -0.31 0.00 0.00 0.00 174.94 175.48 2d8k s TYR 54 N -1.16 -0.69 -1.23 3.97 1.51 -0.29 -1.84 117.35 117.62 2d8k s TYR 54 Ca 0.29 1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 57.63 2d8k s TYR 54 Cb -0.18 0.27 0.18 0.00 -0.11 0.00 0.00 41.96 42.13 2d8k s TYR 54 CO 0.17 -0.41 1.60 1.28 -1.11 0.00 0.00 175.55 177.08 2d8k n LEU 55 N 4.86 5.90 -4.74 -1.29 4.77 -1.25 -1.17 117.00 124.06 2d8k n LEU 55 Ca -0.15 -4.62 -0.35 0.00 -0.03 0.00 0.00 56.01 50.86 2d8k n LEU 55 Cb 0.52 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 40.14 2d8k n LEU 55 CO 0.04 1.09 0.80 -0.76 -1.33 0.00 0.00 177.39 177.23 2d8k s LEU 56 N 0.43 3.46 -0.02 2.23 1.43 -0.86 -3.18 118.68 122.18 2d8k s LEU 56 Ca 0.40 2.29 -0.24 0.00 -1.03 0.00 0.00 54.13 55.55 2d8k s LEU 56 Cb 0.02 -4.58 -0.18 0.00 0.03 0.00 0.00 46.19 41.48 2d8k s LEU 56 CO 0.00 -1.88 1.15 1.55 0.23 0.00 0.00 176.35 177.41 2d8k h PRO 57 N 0.22 -0.17 -5.12 1.29 0.13 -1.89 0.11 132.00 126.57 2d8k h PRO 57 Ca -0.49 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 2d8k h PRO 57 Cb 1.29 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 2d8k h PRO 57 CO 0.53 0.25 1.50 -0.25 -0.23 0.00 0.00 178.00 179.79 2d8k n ASP 58 N -4.95 0.45 -1.12 1.44 8.00 -1.19 -4.73 116.55 114.45 2d8k n ASP 58 Ca -0.09 0.36 0.05 0.00 0.71 0.00 0.00 54.79 55.83 2d8k n ASP 58 Cb 0.26 -0.86 0.22 0.00 -0.02 0.00 0.00 41.12 40.72 2d8k n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2d8k n LYS 59 N 7.66 2.78 0.17 -1.24 5.02 -1.26 -4.19 118.16 127.11 2d8k n LYS 59 Ca 0.58 -1.76 -0.07 0.00 -2.02 0.00 0.00 58.31 55.04 2d8k n LYS 59 Cb 0.00 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 2d8k n LYS 59 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2d8k h LYS 60 N 2.47 -0.45 -5.74 1.97 1.79 -1.88 -3.38 116.57 111.35 2d8k h LYS 60 Ca 0.00 0.03 -0.66 0.00 -2.18 0.00 0.00 60.65 57.84 2d8k h LYS 60 Cb 1.05 0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 31.70 2d8k h LYS 60 CO 0.17 -0.30 1.72 -1.58 -1.08 0.00 0.00 179.45 178.39 2d8k s HIS 61 N -3.18 2.81 0.14 -1.35 2.46 -1.26 -4.96 115.29 109.96 2d8k s HIS 61 Ca -0.07 -1.39 0.11 0.00 0.47 0.00 0.00 55.06 54.18 2d8k s HIS 61 Cb 0.01 -4.64 -0.04 0.00 -0.13 0.00 0.00 32.58 27.78 2d8k s HIS 61 CO 0.20 -1.78 -0.25 -1.59 -2.47 0.00 0.00 174.74 168.86 2d8k s LYS 62 N 4.03 1.39 0.25 2.88 0.00 -1.26 -3.94 119.74 123.10 2d8k s LYS 62 Ca 0.48 -1.37 0.02 0.00 0.00 0.00 0.00 55.97 55.10 2d8k s LYS 62 Cb 0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 37.83 36.00 2d8k s LYS 62 CO -0.01 0.42 0.19 -0.51 0.00 0.00 0.00 175.35 175.43 2d8k s LEU 63 N -2.21 1.40 0.27 2.77 1.02 -0.77 -5.01 118.68 116.15 2d8k s LEU 63 Ca 0.15 -1.54 -0.09 0.00 0.02 0.00 0.00 54.13 52.67 2d8k s LEU 63 Cb -0.09 0.44 -0.01 0.00 0.02 0.00 0.00 46.19 46.55 2d8k s LEU 63 CO 0.07 -0.93 0.44 -1.61 0.02 0.00 0.00 176.35 174.34 2d8k s GLU 64 N -3.87 1.61 0.44 1.70 8.01 -1.26 0.13 118.70 125.46 2d8k s GLU 64 Ca 0.40 -1.43 0.06 0.00 0.01 0.00 0.00 54.97 54.01 2d8k s GLU 64 Cb 0.05 0.44 0.08 0.00 -4.31 0.00 0.00 34.13 30.39 2d8k s GLU 64 CO 0.18 -0.66 0.61 0.25 0.01 0.00 0.00 175.26 175.65 2d8k n THR 65 N -0.42 0.00 -1.35 3.63 -2.24 -0.60 -4.93 114.28 108.38 2d8k n THR 65 Ca -0.01 -1.38 -0.29 0.00 -2.27 0.00 0.00 64.05 60.11 2d8k n THR 65 Cb 0.62 -0.71 0.17 0.00 -2.10 0.00 0.00 70.33 68.31 2d8k n THR 65 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2d8k s LYS 66 N -4.00 0.52 -0.22 -0.78 -0.14 -1.26 -4.74 119.74 109.12 2d8k s LYS 66 Ca 0.45 0.29 -0.04 0.00 -1.36 0.00 0.00 55.97 55.32 2d8k s LYS 66 Cb -0.03 -1.77 -0.01 0.00 -1.68 0.00 0.00 37.83 34.34 2d8k s LYS 66 CO 0.29 -2.62 -0.04 0.08 -0.76 0.00 0.00 175.35 172.30 2d8k s VAL 67 N -3.15 3.34 -0.27 3.17 1.01 -1.26 -4.59 120.40 118.64 2d8k s VAL 67 Ca 0.66 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2d8k s VAL 67 Cb -0.15 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2d8k s VAL 67 CO 0.55 0.40 0.12 -0.54 0.00 0.00 0.00 175.10 175.64 2d8k s LYS 68 N 1.47 3.70 0.05 2.72 -0.14 -1.25 -5.07 119.74 121.21 2d8k s LYS 68 Ca 0.05 -0.47 -0.18 0.00 -1.36 0.00 0.00 55.97 54.02 2d8k s LYS 68 Cb -0.14 -3.47 -0.06 0.00 -1.68 0.00 0.00 37.83 32.47 2d8k s LYS 68 CO -0.03 -0.22 0.51 1.03 -0.76 0.00 0.00 175.35 175.88 2d8k s ARG 69 N 1.66 4.11 -0.97 1.68 1.81 -1.26 -3.91 118.95 122.06 2d8k s ARG 69 Ca 0.06 0.62 -0.01 0.00 -1.72 0.00 0.00 55.73 54.68 2d8k s ARG 69 Cb -0.16 -3.23 0.00 0.00 -0.45 0.00 0.00 34.95 31.11 2d8k s ARG 69 CO 0.06 0.65 0.82 1.63 -0.68 0.00 0.00 175.30 177.78 2d8k n LYS 70 N 1.78 -5.44 -3.55 3.54 4.76 -1.24 -5.01 118.16 113.01 2d8k n LYS 70 Ca -0.12 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 2d8k n LYS 70 Cb 0.51 -5.15 -0.04 0.00 -1.84 0.00 0.00 35.03 28.52 2d8k n LYS 70 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2d8k s ASN 71 N -3.90 -1.06 -0.00 4.39 0.01 -1.09 -4.94 114.94 108.35 2d8k s ASN 71 Ca 0.10 1.35 0.19 0.00 -0.71 0.00 0.00 52.86 53.78 2d8k s ASN 71 Cb -0.04 2.16 -0.19 0.00 0.41 0.00 0.00 41.25 43.59 2d8k s ASN 71 CO 0.57 -0.20 0.61 0.18 -1.51 0.00 0.00 177.10 176.75 2d8k n LEU 72 N 5.37 0.50 -2.43 0.60 4.77 -1.26 -4.12 117.00 120.43 2d8k n LEU 72 Ca -0.10 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2d8k n LEU 72 Cb 0.50 0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 2d8k n LEU 72 CO -0.03 0.16 0.12 0.59 -1.33 0.00 0.00 177.39 176.90 2d8k n ASN 73 N -2.71 4.01 -4.72 -1.43 3.02 -1.26 -4.32 115.26 107.85 2d8k n ASN 73 Ca -0.13 -3.45 -0.30 0.00 -0.03 0.00 0.00 54.58 50.68 2d8k n ASN 73 Cb 0.83 -0.45 0.13 0.00 -0.61 0.00 0.00 39.78 39.69 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 -3.50 1.34 -0.19 3.52 0.04 -1.26 -4.68 135.00 130.26 2d8k s PRO 74 Ca 0.44 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2d8k s PRO 74 Cb 0.41 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 33.15 2d8k s PRO 74 CO -0.09 -2.19 -0.16 -3.38 0.04 0.00 0.00 177.00 171.21 2d8k s HIS 75 N -2.93 2.85 -0.14 0.56 -3.43 -1.26 -2.49 115.29 108.45 2d8k s HIS 75 Ca 0.63 -1.59 -0.10 0.00 -0.80 0.00 0.00 55.06 53.21 2d8k s HIS 75 Cb -0.18 -1.95 -0.06 0.00 -1.43 0.00 0.00 32.58 28.96 2d8k s HIS 75 CO 0.57 -0.77 0.01 -1.49 -2.00 0.00 0.00 174.74 171.06 2d8k h TRP 76 N 7.96 0.00 -5.87 0.38 6.55 -1.70 -3.49 115.95 119.78 2d8k h TRP 76 Ca -0.43 0.00 -0.37 0.00 0.95 0.00 0.00 58.89 59.04 2d8k h TRP 76 Cb 1.13 0.00 0.11 0.00 -0.86 0.00 0.00 29.16 29.55 2d8k h TRP 76 CO 0.50 0.29 -0.82 0.09 -1.05 0.00 0.00 178.44 177.45 2d8k n ASN 77 N -4.64 -2.36 -4.86 -3.49 3.02 -0.40 -5.00 115.26 97.53 2d8k n ASN 77 Ca -0.08 -0.75 -0.21 0.00 -0.03 0.00 0.00 54.58 53.50 2d8k n ASN 77 Cb 0.26 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 34.87 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 -5.58 2.70 -0.23 3.52 2.02 -1.25 -4.93 118.70 114.94 2d8k s GLU 78 Ca 0.08 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 2d8k s GLU 78 Cb -0.02 -2.47 0.06 0.00 0.10 0.00 0.00 34.13 31.81 2d8k s GLU 78 CO 0.78 0.04 -0.01 0.99 0.02 0.00 0.00 175.26 177.08 2d8k s THR 79 N -2.33 1.13 0.26 3.63 2.01 -1.26 -2.85 115.64 116.22 2d8k s THR 79 Ca 0.42 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 2d8k s THR 79 Cb -0.05 -1.53 -0.07 0.00 0.01 0.00 0.00 72.50 70.85 2d8k s THR 79 CO 0.27 -0.21 0.58 -0.36 -0.69 0.00 0.00 174.62 174.22 2d8k s PHE 80 N 1.57 3.43 -0.04 4.92 0.40 -1.18 -4.95 117.98 122.12 2d8k s PHE 80 Ca -0.02 0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 57.17 2d8k s PHE 80 Cb -0.18 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.11 2d8k s PHE 80 CO -0.09 0.21 0.05 -0.51 0.70 0.00 0.00 175.22 175.59 2d8k s LEU 81 N -3.01 0.40 -0.48 -0.37 1.43 -1.25 -3.09 118.68 112.31 2d8k s LEU 81 Ca 0.48 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.54 2d8k s LEU 81 Cb -0.11 -0.16 0.12 0.00 0.03 0.00 0.00 46.19 46.07 2d8k s LEU 81 CO 0.23 -0.22 0.35 -0.36 0.23 0.00 0.00 176.35 176.58 2d8k s PHE 82 N 1.89 3.43 0.21 0.29 0.08 -1.18 -4.93 117.98 117.78 2d8k s PHE 82 Ca 0.02 -1.90 -0.04 0.00 0.12 0.00 0.00 56.93 55.13 2d8k s PHE 82 Cb -0.12 -3.50 -0.05 0.00 -0.57 0.00 0.00 43.02 38.78 2d8k s PHE 82 CO -0.03 -0.99 0.45 -1.21 -0.10 0.00 0.00 175.22 173.33 2d8k s GLU 83 N 1.33 3.60 0.00 0.44 2.02 -1.26 -3.53 118.70 121.30 2d8k s GLU 83 Ca 0.06 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.93 2d8k s GLU 83 Cb -0.26 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2d8k s GLU 83 CO -0.01 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.04 2d8k n GLY 84 N -0.48 0.49 3.19 -1.39 0.00 -1.26 -5.04 105.19 100.70 2d8k n GLY 84 Ca -0.03 0.00 -0.35 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 -2.20 3.16 0.38 1.61 0.40 -1.26 -5.10 117.98 114.97 2d8k s PHE 85 Ca 0.00 -1.68 -0.26 0.00 -0.60 0.00 0.00 56.93 54.39 2d8k s PHE 85 Cb 0.00 -2.09 -0.09 0.00 0.51 0.00 0.00 43.02 41.36 2d8k s PHE 85 CO 0.00 -0.76 1.20 -1.25 0.70 0.00 0.00 175.22 175.11 2d8k s PRO 86 N 1.30 4.15 0.14 0.24 0.04 -1.26 -4.69 135.00 134.91 2d8k s PRO 86 Ca -0.02 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 2d8k s PRO 86 Cb -0.18 -2.79 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 2d8k s PRO 86 CO -0.03 -0.27 1.55 -0.92 0.04 0.00 0.00 177.00 177.38 2d8k h TYR 87 N 2.87 -1.64 -0.78 0.56 5.03 -1.94 0.70 116.97 121.76 2d8k h TYR 87 Ca -0.49 0.09 0.23 0.00 2.58 0.00 0.00 58.73 61.14 2d8k h TYR 87 Cb 1.23 0.78 -0.03 0.00 1.55 0.00 0.00 36.73 40.26 2d8k h TYR 87 CO 0.55 -0.47 1.11 1.05 -1.32 0.00 0.00 178.16 179.08 2d8k h GLU 88 N -0.34 0.00 0.00 1.82 9.09 -2.01 0.84 114.58 123.98 2d8k h GLU 88 Ca 0.10 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.26 2d8k h GLU 88 Cb 0.58 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.64 2d8k h GLU 88 CO -0.63 0.00 -1.70 1.63 0.05 0.00 0.00 179.01 178.35 2d8k n LYS 89 N -3.14 0.55 -0.39 1.06 5.02 0.21 -4.30 118.16 117.18 2d8k n LYS 89 Ca 0.17 0.31 0.31 0.00 -2.02 0.00 0.00 58.31 57.09 2d8k n LYS 89 Cb 1.35 -1.53 0.58 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.23 -0.53 -0.18 3.04 0.18 1.07 116.25 119.06 2d8k h VAL 90 Ca -0.37 -0.07 -0.03 0.00 -1.01 0.00 0.00 66.70 65.22 2d8k h VAL 90 Cb 1.28 0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.56 2d8k h VAL 90 CO -0.23 0.03 0.21 -0.37 -1.01 0.00 0.00 177.57 176.21 2d8k h VAL 91 N 0.19 1.19 0.00 1.51 -1.51 -1.35 -1.22 116.25 115.06 2d8k h VAL 91 Ca 0.76 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 65.62 2d8k h VAL 91 Cb 2.15 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2d8k h VAL 91 CO -0.45 0.24 0.00 1.56 -1.23 0.00 0.00 177.57 177.69 2d8k h GLN 92 N 0.75 0.00 -7.09 5.19 4.20 0.10 -3.25 115.11 115.01 2d8k h GLN 92 Ca 0.18 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.44 2d8k h GLN 92 Cb 0.15 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.00 2d8k h GLN 92 CO -0.02 0.00 0.10 1.03 -0.67 0.00 0.00 178.83 179.27 2d8k s ARG 93 N -3.47 2.07 0.01 1.46 1.81 -0.46 -4.87 118.95 115.50 2d8k s ARG 93 Ca 0.03 -0.74 0.05 0.00 -1.72 0.00 0.00 55.73 53.34 2d8k s ARG 93 Cb 0.09 -2.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.25 2d8k s ARG 93 CO 0.45 -1.17 -0.15 0.42 -0.68 0.00 0.00 175.30 174.17 2d8k s ILE 94 N -3.07 1.18 -0.11 1.52 1.01 0.39 -3.09 121.20 119.03 2d8k s ILE 94 Ca 0.62 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 60.23 2d8k s ILE 94 Cb -0.08 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2d8k s ILE 94 CO 0.43 0.21 0.78 -0.22 0.00 0.00 0.00 174.94 176.13 2d8k s LEU 95 N -0.67 4.26 -0.12 2.97 2.96 0.13 -2.02 118.68 126.18 2d8k s LEU 95 Ca 0.04 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.20 2d8k s LEU 95 Cb -0.07 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 43.44 2d8k s LEU 95 CO 0.00 -0.25 -0.21 -0.47 -1.32 0.00 0.00 176.35 174.10 2d8k s TYR 96 N 1.40 2.47 -0.09 5.38 5.04 -0.32 -2.20 117.35 129.03 2d8k s TYR 96 Ca 0.39 -1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 53.88 2d8k s TYR 96 Cb -0.18 -1.68 0.03 0.00 0.35 0.00 0.00 41.96 40.48 2d8k s TYR 96 CO 0.17 -0.50 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.36 2d8k s LEU 97 N 0.64 0.75 -0.24 6.97 1.43 -0.99 -1.14 118.68 126.10 2d8k s LEU 97 Ca -0.12 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2d8k s LEU 97 Cb -0.16 -0.53 0.06 0.00 0.03 0.00 0.00 46.19 45.59 2d8k s LEU 97 CO 0.03 -0.19 -0.09 -1.58 0.23 0.00 0.00 176.35 174.75 2d8k s GLN 98 N 1.91 2.01 -0.75 1.70 0.74 -0.85 -0.92 119.66 123.51 2d8k s GLN 98 Ca 0.04 -1.14 -0.22 0.00 0.05 0.00 0.00 55.36 54.10 2d8k s GLN 98 Cb -0.13 -2.72 0.09 0.00 1.10 0.00 0.00 33.01 31.35 2d8k s GLN 98 CO -0.06 -0.55 1.03 0.08 -0.55 0.00 0.00 175.29 175.23 2d8k s VAL 99 N 1.25 4.42 0.30 1.34 1.01 -0.70 -1.79 120.40 126.23 2d8k s VAL 99 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2d8k s VAL 99 Cb -0.19 -4.73 -0.06 0.00 0.00 0.00 0.00 36.38 31.41 2d8k s VAL 99 CO -0.06 -1.49 0.08 -1.48 0.00 0.00 0.00 175.10 172.15 2d8k s LEU 100 N 3.72 1.93 0.10 3.92 2.34 -0.02 -3.54 118.68 127.13 2d8k s LEU 100 Ca 0.26 -1.39 0.02 0.00 0.06 0.00 0.00 54.13 53.08 2d8k s LEU 100 Cb -0.13 -0.19 -0.04 0.00 -0.56 0.00 0.00 46.19 45.27 2d8k s LEU 100 CO 0.04 -0.67 0.22 1.51 -1.06 0.00 0.00 176.35 176.39 2d8k s ASP 101 N -3.41 6.21 -0.02 1.48 -4.77 -1.26 0.18 116.67 115.08 2d8k s ASP 101 Ca 0.37 0.18 0.03 0.00 -3.30 0.00 0.00 52.55 49.82 2d8k s ASP 101 Cb 0.08 -1.86 -0.03 0.00 -1.09 0.00 0.00 42.92 40.02 2d8k s ASP 101 CO 0.15 0.12 -0.08 -0.47 0.70 0.00 0.00 175.17 175.59 2d8k s TYR 102 N -1.60 2.87 -0.07 2.11 5.04 -1.13 -4.11 117.35 120.45 2d8k s TYR 102 Ca 0.34 -0.04 -0.31 0.00 -2.44 0.00 0.00 57.07 54.62 2d8k s TYR 102 Cb -0.12 -1.64 0.08 0.00 0.35 0.00 0.00 41.96 40.63 2d8k s TYR 102 CO 0.27 0.34 0.72 -0.51 -1.34 0.00 0.00 175.55 175.03 2d8k s ASP 103 N -1.15 -0.63 -0.01 4.32 1.01 -1.26 -4.84 116.67 114.11 2d8k s ASP 103 Ca 0.15 0.72 0.15 0.00 0.71 0.00 0.00 52.55 54.28 2d8k s ASP 103 Cb -0.11 0.56 -0.19 0.00 1.01 0.00 0.00 42.92 44.19 2d8k s ASP 103 CO 0.05 -0.56 0.68 -2.11 0.21 0.00 0.00 175.17 173.44 2d8k n ARG 104 N 0.98 0.63 -0.18 8.23 -4.01 -1.26 -4.22 116.66 116.84 2d8k n ARG 104 Ca -0.18 0.23 -0.01 0.00 -1.04 0.00 0.00 57.85 56.86 2d8k n ARG 104 Cb 0.57 -1.77 0.08 0.00 -3.04 0.00 0.00 32.46 28.30 2d8k n ARG 104 CO 0.00 0.00 0.00 0.74 -3.04 0.00 0.00 177.63 175.33 2d8k h PHE 105 N 0.00 0.08 -3.00 2.89 0.04 -2.05 -3.43 116.94 111.46 2d8k h PHE 105 Ca -0.25 0.04 -0.12 0.00 2.80 0.00 0.00 57.97 60.44 2d8k h PHE 105 Cb 1.83 0.05 -0.20 0.00 2.20 0.00 0.00 35.95 39.83 2d8k h PHE 105 CO 0.00 -0.08 -0.27 0.45 -0.60 0.00 0.00 178.31 177.82 2d8k s SER 106 N -5.27 -0.21 -0.23 2.17 0.15 -1.26 -5.11 113.70 103.93 2d8k s SER 106 Ca -0.13 0.13 -0.38 0.00 0.70 0.00 0.00 55.95 56.27 2d8k s SER 106 Cb 0.17 0.34 -0.18 0.00 -1.71 0.00 0.00 66.02 64.64 2d8k s SER 106 CO 0.73 -0.43 1.19 0.54 1.20 0.00 0.00 173.24 176.46 2d8k n ARG 107 N 1.36 0.00 -1.70 5.44 3.00 -1.26 -4.55 116.66 118.94 2d8k n ARG 107 Ca -0.21 0.00 -0.55 0.00 -0.01 0.00 0.00 57.85 57.08 2d8k n ARG 107 Cb 0.56 -1.32 -0.06 0.00 0.00 0.00 0.00 32.46 31.64 2d8k n ARG 107 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2d8k n ASN 108 N 2.47 2.74 -4.63 0.55 6.94 -1.26 -4.90 115.26 117.18 2d8k n ASN 108 Ca 0.23 1.04 -0.42 0.00 -0.02 0.00 0.00 54.58 55.40 2d8k n ASN 108 Cb 0.01 -1.21 -0.04 0.00 -2.36 0.00 0.00 39.78 36.17 2d8k n ASN 108 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2d8k s ASP 109 N 3.77 6.81 -0.09 0.53 2.15 -1.26 -4.99 116.67 123.61 2d8k s ASP 109 Ca 0.97 0.91 -0.30 0.00 0.43 0.00 0.00 52.55 54.57 2d8k s ASP 109 Cb -0.95 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 39.17 2d8k s ASP 109 CO 0.61 -0.67 1.52 -2.16 -0.17 0.00 0.00 175.17 174.30 2d8k s PRO 110 N 3.14 4.20 -0.05 4.34 0.04 -1.26 -4.04 135.00 141.38 2d8k s PRO 110 Ca 0.37 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 63.35 2d8k s PRO 110 Cb -0.14 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2d8k s PRO 110 CO 0.11 -0.79 0.35 0.82 0.04 0.00 0.00 177.00 177.54 2d8k h ILE 111 N 5.51 0.00 -3.24 0.56 2.04 -1.94 -3.36 117.51 117.08 2d8k h ILE 111 Ca -0.35 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 2d8k h ILE 111 Cb 1.15 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.11 2d8k h ILE 111 CO 0.96 0.00 0.04 -0.83 0.00 0.00 0.00 178.15 178.32 2d8k s GLY 112 N -2.84 -0.37 0.17 5.37 0.00 -1.23 -3.70 107.32 104.72 2d8k s GLY 112 Ca -0.04 0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.80 2d8k s GLY 112 CO 0.11 -0.13 0.07 -1.83 0.00 0.00 0.00 173.10 171.32 2d8k s GLU 113 N -3.79 1.09 -0.06 2.90 4.04 -0.81 -1.72 118.70 120.36 2d8k s GLU 113 Ca 0.03 -1.55 -0.05 0.00 0.04 0.00 0.00 54.97 53.44 2d8k s GLU 113 Cb 0.00 0.07 0.02 0.00 0.02 0.00 0.00 34.13 34.24 2d8k s GLU 113 CO -0.11 -0.27 0.15 0.08 -1.84 0.00 0.00 175.26 173.28 2d8k s VAL 114 N -3.95 -0.00 -0.08 1.83 1.01 -0.09 -1.67 120.40 117.44 2d8k s VAL 114 Ca 0.29 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.31 2d8k s VAL 114 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2d8k s VAL 114 CO 0.06 0.00 -0.21 -0.94 0.00 0.00 0.00 175.10 174.02 2d8k s SER 115 N 0.11 2.67 -0.23 3.32 1.04 -1.26 -2.35 113.70 116.99 2d8k s SER 115 Ca -0.00 -0.47 -0.09 0.00 0.48 0.00 0.00 55.95 55.87 2d8k s SER 115 Cb -0.01 -1.12 0.10 0.00 0.10 0.00 0.00 66.02 65.08 2d8k s SER 115 CO 0.00 0.14 0.52 -0.63 0.98 0.00 0.00 173.24 174.25 2d8k s ILE 116 N 0.34 -0.60 0.35 -1.02 1.01 -0.94 -5.02 121.20 115.32 2d8k s ILE 116 Ca -0.15 0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.32 2d8k s ILE 116 Cb -0.16 -0.80 -0.09 0.00 0.01 0.00 0.00 42.46 41.41 2d8k s ILE 116 CO 0.06 0.04 1.21 -2.16 0.00 0.00 0.00 174.94 174.09 2d8k s PRO 117 N 2.42 4.29 0.00 2.79 0.04 -1.26 -0.70 135.00 142.59 2d8k s PRO 117 Ca -0.05 1.99 0.24 0.00 0.04 0.00 0.00 61.00 63.21 2d8k s PRO 117 Cb -0.11 -2.94 1.07 0.00 0.04 0.00 0.00 34.50 32.57 2d8k s PRO 117 CO -0.15 -0.16 1.76 1.28 0.04 0.00 0.00 177.00 179.77 2d8k n LEU 118 N 0.59 0.00 0.17 -3.56 4.77 -1.18 -2.76 117.00 115.02 2d8k n LEU 118 Ca 0.01 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 2d8k n LEU 118 Cb 0.44 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2d8k n LEU 118 CO 0.55 -0.09 0.59 -0.55 -1.33 0.00 0.00 177.39 176.56 2d8k h ASN 119 N 0.00 0.00 0.04 -1.43 7.08 -1.80 -3.32 115.58 116.14 2d8k h ASN 119 Ca 0.00 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.16 2d8k h ASN 119 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 2d8k h ASN 119 CO 0.00 0.34 -0.27 0.11 -2.08 0.00 0.00 177.43 175.53 2d8k h LYS 120 N 0.00 0.07 -7.10 4.14 1.79 -1.87 -3.46 116.57 110.14 2d8k h LYS 120 Ca -0.00 -0.13 -0.54 0.00 -2.18 0.00 0.00 60.65 57.80 2d8k h LYS 120 Cb 1.25 0.05 0.13 0.00 -1.58 0.00 0.00 32.23 32.07 2d8k h LYS 120 CO 0.04 1.06 0.48 0.54 -1.08 0.00 0.00 179.45 180.50 2d8k s VAL 121 N -2.28 2.46 -1.30 0.50 0.11 -1.24 -4.91 120.40 113.74 2d8k s VAL 121 Ca -0.18 0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 59.03 2d8k s VAL 121 Cb -0.02 -3.10 0.13 0.00 -1.53 0.00 0.00 36.38 31.86 2d8k s VAL 121 CO 0.72 -0.06 1.80 0.47 -3.33 0.00 0.00 175.10 174.70 2d8k n ASP 122 N -1.70 4.90 -0.32 3.54 8.00 -1.26 -4.81 116.55 124.89 2d8k n ASP 122 Ca 0.14 -3.01 0.19 0.00 0.71 0.00 0.00 54.79 52.83 2d8k n ASP 122 Cb 0.49 -1.57 0.39 0.00 -0.02 0.00 0.00 41.12 40.42 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 9.29 0.23 -1.12 0.64 4.07 -1.89 0.67 115.31 127.21 2d8k h LEU 123 Ca 0.41 0.20 0.36 0.00 0.08 0.00 0.00 57.88 58.93 2d8k h LEU 123 Cb 0.72 0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.60 2d8k h LEU 123 CO 1.55 -0.17 0.76 0.35 -1.08 0.00 0.00 178.44 179.85 2d8k n THR 124 N -5.16 -0.12 -4.03 0.22 -2.24 -1.26 -2.90 114.28 98.79 2d8k n THR 124 Ca 0.27 1.19 -0.09 0.00 -2.27 0.00 0.00 64.05 63.15 2d8k n THR 124 Cb 0.86 -1.97 -0.08 0.00 -2.10 0.00 0.00 70.33 67.04 2d8k n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d8k s GLN 125 N -4.60 0.97 0.20 -0.78 -2.07 0.23 -4.93 119.66 108.68 2d8k s GLN 125 Ca -0.05 -1.25 -0.30 0.00 -1.82 0.00 0.00 55.36 51.94 2d8k s GLN 125 Cb 0.21 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.34 2d8k s GLN 125 CO 0.59 -0.31 1.33 1.41 -1.32 0.00 0.00 175.29 177.00 2d8k s MET 126 N -3.98 4.37 -0.08 9.60 -2.45 -1.26 -4.63 119.30 120.87 2d8k s MET 126 Ca 0.17 2.09 -0.03 0.00 -1.25 0.00 0.00 55.69 56.66 2d8k s MET 126 Cb 0.06 -3.19 0.04 0.00 1.25 0.00 0.00 34.83 32.99 2d8k s MET 126 CO -0.02 -0.29 0.15 -0.65 1.05 0.00 0.00 175.02 175.26 2d8k s GLN 127 N -0.04 0.04 0.63 4.11 -1.52 -0.73 -5.00 119.66 117.15 2d8k s GLN 127 Ca 0.58 0.52 -0.10 0.00 -1.95 0.00 0.00 55.36 54.41 2d8k s GLN 127 Cb -0.37 -0.27 -0.01 0.00 -0.22 0.00 0.00 33.01 32.14 2d8k s GLN 127 CO 0.38 -0.29 1.01 0.99 -0.25 0.00 0.00 175.29 177.13 2d8k s THR 128 N 2.11 4.11 -0.03 -0.19 2.01 -1.26 -2.04 115.64 120.35 2d8k s THR 128 Ca 0.01 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 2d8k s THR 128 Cb -0.12 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.76 2d8k s THR 128 CO -0.06 -0.82 0.34 -0.36 -0.69 0.00 0.00 174.62 173.04 2d8k s PHE 129 N -3.17 -0.23 -0.27 4.92 0.40 -1.14 -4.96 117.98 113.53 2d8k s PHE 129 Ca 0.55 0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.26 2d8k s PHE 129 Cb -0.11 0.12 0.08 0.00 0.51 0.00 0.00 43.02 43.63 2d8k s PHE 129 CO 0.51 -0.38 0.06 -1.58 0.70 0.00 0.00 175.22 174.52 2d8k s TRP 130 N -1.17 1.67 0.30 0.36 0.52 -1.26 -3.24 118.94 116.12 2d8k s TRP 130 Ca -0.12 -1.54 0.11 0.00 0.02 0.00 0.00 56.10 54.57 2d8k s TRP 130 Cb -0.05 -1.55 -0.05 0.00 -1.15 0.00 0.00 33.47 30.67 2d8k s TRP 130 CO 0.04 -0.80 -0.14 0.15 0.02 0.00 0.00 176.95 176.22 2d8k s LYS 131 N 1.63 1.80 -0.48 4.98 -0.14 -1.25 -5.02 119.74 121.26 2d8k s LYS 131 Ca 0.05 -1.78 -0.13 0.00 -1.36 0.00 0.00 55.97 52.76 2d8k s LYS 131 Cb -0.17 -1.80 0.10 0.00 -1.68 0.00 0.00 37.83 34.28 2d8k s LYS 131 CO -0.18 0.27 0.39 0.16 -0.76 0.00 0.00 175.35 175.24 2d8k s ASP 132 N -3.56 5.94 -0.35 2.83 -4.77 -1.26 -2.32 116.67 113.17 2d8k s ASP 132 Ca 0.31 -1.67 -0.32 0.00 -3.30 0.00 0.00 52.55 47.57 2d8k s ASP 132 Cb -0.03 -2.11 -0.14 0.00 -1.09 0.00 0.00 42.92 39.56 2d8k s ASP 132 CO 0.16 -0.71 1.29 0.18 0.70 0.00 0.00 175.17 176.80 2d8k n LEU 133 N 5.08 0.71 -4.81 2.11 4.77 -0.77 -4.86 117.00 119.23 2d8k n LEU 133 Ca -0.11 0.68 -0.32 0.00 -0.03 0.00 0.00 56.01 56.23 2d8k n LEU 133 Cb 0.42 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 40.91 2d8k n LEU 133 CO 0.47 -0.57 0.71 -0.54 -1.33 0.00 0.00 177.39 176.13 2d8k s LYS 134 N 3.03 3.15 -0.44 3.23 -0.14 -0.67 -4.37 119.74 123.53 2d8k s LYS 134 Ca 0.78 1.05 -0.28 0.00 -1.36 0.00 0.00 55.97 56.17 2d8k s LYS 134 Cb -1.05 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.07 2d8k s LYS 134 CO 0.53 -0.94 1.76 -1.25 -0.76 0.00 0.00 175.35 174.69 2d8k s PRO 135 N -4.61 3.13 0.00 -1.68 0.04 -1.26 -1.92 135.00 128.70 2d8k s PRO 135 Ca 0.60 1.07 0.25 0.00 0.04 0.00 0.00 61.00 62.96 2d8k s PRO 135 Cb -0.15 -4.23 0.35 0.00 0.04 0.00 0.00 34.50 30.51 2d8k s PRO 135 CO 0.46 -2.11 1.34 0.45 0.04 0.00 0.00 177.00 177.18 2d8k n SER 136 N 10.89 2.45 -3.79 6.66 2.88 -1.24 -4.94 113.62 126.52 2d8k n SER 136 Ca 0.21 -1.77 -0.30 0.00 -1.33 0.00 0.00 58.87 55.68 2d8k n SER 136 Cb 0.49 0.09 0.24 0.00 -0.75 0.00 0.00 64.21 64.27 2d8k n SER 136 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d8k s GLY 137 N -2.11 1.60 0.78 0.46 0.00 -1.26 -4.96 107.32 101.84 2d8k s GLY 137 Ca 0.28 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 2d8k s GLY 137 CO 0.36 -0.12 1.09 2.56 0.00 0.00 0.00 173.10 177.00 2d8k s PRO 138 N -5.48 2.20 -0.14 2.90 0.04 -1.26 -5.02 135.00 128.25 2d8k s PRO 138 Ca 0.72 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 2d8k s PRO 138 Cb -0.09 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 2d8k s PRO 138 CO 0.56 -1.68 0.17 0.77 0.04 0.00 0.00 177.00 176.86 2d8k h SER 139 N -1.15 0.00 -3.30 6.66 0.02 -1.99 -3.46 113.55 110.33 2d8k h SER 139 Ca -0.44 -0.32 -0.57 0.00 -0.84 0.00 0.00 61.79 59.63 2d8k h SER 139 Cb 1.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 2d8k h SER 139 CO 0.51 0.84 -0.02 -0.44 -1.14 0.00 0.00 176.83 176.58 2d8k s SER 140 N -5.96 6.96 0.00 3.07 0.01 -1.26 -5.17 113.70 111.35 2d8k s SER 140 Ca -0.13 1.14 0.02 0.00 1.31 0.00 0.00 55.95 58.30 2d8k s SER 140 Cb 0.01 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.89 2d8k s SER 140 CO 0.31 0.10 0.56 0.61 0.41 0.00 0.00 173.24 175.23