#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki h SER 2 N 0.00 0.11 -0.50 1.61 0.87 -2.08 -3.01 113.55 110.55 2eki h SER 2 Ca 0.00 -0.28 -0.32 0.00 -1.23 0.00 0.00 61.79 59.96 2eki h SER 2 Cb 0.00 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 61.80 2eki h SER 2 CO 0.00 0.36 0.39 -0.24 -0.53 0.00 0.00 176.83 176.80 2eki n SER 3 N -4.88 6.41 0.00 6.23 2.88 -1.26 -4.49 113.62 118.51 2eki n SER 3 Ca -0.07 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.43 2eki n SER 3 Cb 0.17 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2eki n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eki n GLY 4 N 0.48 -0.27 3.28 0.46 0.00 -1.14 -4.93 105.19 103.07 2eki n GLY 4 Ca 0.30 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 2eki n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eki s SER 5 N -0.60 6.32 -0.49 1.61 0.01 -1.26 -5.02 113.70 114.28 2eki s SER 5 Ca 0.00 -2.40 -0.39 0.00 1.31 0.00 0.00 55.95 54.47 2eki s SER 5 Cb 0.00 -2.14 -0.16 0.00 0.21 0.00 0.00 66.02 63.92 2eki s SER 5 CO 0.00 -0.63 2.21 -1.20 0.41 0.00 0.00 173.24 174.03 2eki n SER 6 N 4.34 1.25 -3.40 2.44 7.64 -1.26 -2.87 113.62 121.77 2eki n SER 6 Ca 0.04 0.51 -0.26 0.00 1.01 0.00 0.00 58.87 60.16 2eki n SER 6 Cb 0.43 -1.05 0.03 0.00 -1.01 0.00 0.00 64.21 62.61 2eki n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eki n GLY 7 N 7.03 0.12 0.67 0.23 0.00 -1.26 -4.85 105.19 107.13 2eki n GLY 7 Ca 0.50 0.76 0.12 0.00 0.00 0.00 0.00 46.02 47.40 2eki n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2eki n TYR 8 N 0.33 0.17 -3.07 1.61 9.36 -1.14 -4.76 117.16 119.68 2eki n TYR 8 Ca -0.06 -0.09 -0.45 0.00 3.32 0.00 0.00 57.90 60.63 2eki n TYR 8 Cb 0.62 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 39.29 2eki n TYR 8 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2eki s LEU 9 N -1.73 5.31 0.90 2.98 1.02 -1.26 -4.86 118.68 121.05 2eki s LEU 9 Ca 0.34 -1.56 -0.11 0.00 0.02 0.00 0.00 54.13 52.83 2eki s LEU 9 Cb 0.20 -2.32 0.14 0.00 0.02 0.00 0.00 46.19 44.22 2eki s LEU 9 CO 0.30 -1.11 1.13 1.17 0.02 0.00 0.00 176.35 177.85 2eki n LYS 10 N 6.37 -0.36 -3.90 1.70 4.81 -1.26 -4.69 118.16 120.83 2eki n LYS 10 Ca -0.02 -0.04 -0.36 0.00 -0.87 0.00 0.00 58.31 57.02 2eki n LYS 10 Cb 0.44 -2.37 -0.12 0.00 0.02 0.00 0.00 35.03 33.00 2eki n LYS 10 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2eki s LEU 11 N -6.28 3.35 0.02 3.14 2.01 -1.26 -1.56 118.68 118.10 2eki s LEU 11 Ca 0.68 -0.20 0.08 0.00 0.01 0.00 0.00 54.13 54.69 2eki s LEU 11 Cb -0.24 -1.87 -0.02 0.00 0.01 0.00 0.00 46.19 44.06 2eki s LEU 11 CO 0.57 0.02 -0.23 0.68 1.01 0.00 0.00 176.35 178.40 2eki s VAL 12 N 1.31 1.83 -0.02 -1.59 -7.23 -1.17 -4.96 120.40 108.57 2eki s VAL 12 Ca 0.04 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2eki s VAL 12 Cb -0.15 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 2eki s VAL 12 CO 0.02 0.35 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.02 2eki s ARG 13 N -0.98 2.79 -0.31 4.82 3.00 -1.26 -1.37 118.95 125.64 2eki s ARG 13 Ca 0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 55.73 55.23 2eki s ARG 13 Cb -0.09 -2.66 0.10 0.00 0.00 0.00 0.00 34.95 32.29 2eki s ARG 13 CO 0.01 0.64 0.09 0.42 0.00 0.00 0.00 175.30 176.46 2eki s ILE 14 N -1.02 0.97 -0.62 1.52 -1.09 -0.77 -0.33 121.20 119.86 2eki s ILE 14 Ca 0.18 -1.43 -0.27 0.00 -2.23 0.00 0.00 60.65 56.91 2eki s ILE 14 Cb -0.11 -1.71 -0.01 0.00 -1.58 0.00 0.00 42.46 39.04 2eki s ILE 14 CO 0.08 -0.64 1.76 -0.31 -1.23 0.00 0.00 174.94 174.60 2eki s TYR 15 N 1.57 1.77 0.59 3.97 2.02 -0.61 -3.46 117.35 123.21 2eki s TYR 15 Ca 0.09 0.65 -0.19 0.00 -0.37 0.00 0.00 57.07 57.25 2eki s TYR 15 Cb -0.17 -4.18 -0.03 0.00 -0.40 0.00 0.00 41.96 37.17 2eki s TYR 15 CO -0.23 -2.28 1.21 -0.08 -1.57 0.00 0.00 175.55 172.60 2eki s THR 16 N 8.44 2.59 -0.39 -0.71 -1.32 -1.26 -2.55 115.64 120.43 2eki s THR 16 Ca 0.62 0.37 0.02 0.00 -1.21 0.00 0.00 61.69 61.49 2eki s THR 16 Cb -0.12 -3.15 0.12 0.00 -1.51 0.00 0.00 72.50 67.84 2eki s THR 16 CO 0.20 -0.08 0.16 -0.75 -2.21 0.00 0.00 174.62 171.94 2eki s LYS 17 N -3.33 1.26 0.73 7.08 2.20 -0.54 -3.22 119.74 123.92 2eki s LYS 17 Ca 0.78 -1.79 -0.12 0.00 -0.36 0.00 0.00 55.97 54.47 2eki s LYS 17 Cb -0.31 -2.57 0.04 0.00 -1.51 0.00 0.00 37.83 33.48 2eki s LYS 17 CO 0.33 -1.05 1.10 -1.25 -0.36 0.00 0.00 175.35 174.12 2eki s PRO 18 N 0.75 2.44 -0.47 4.03 0.04 -1.26 -4.07 135.00 136.47 2eki s PRO 18 Ca 0.14 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.14 2eki s PRO 18 Cb -0.21 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 2eki s PRO 18 CO -0.09 -1.51 1.61 0.15 0.04 0.00 0.00 177.00 177.20 2eki s LYS 19 N -4.63 3.25 0.00 4.56 1.02 -1.26 -3.69 119.74 118.98 2eki s LYS 19 Ca 0.63 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.51 2eki s LYS 19 Cb -0.18 -4.17 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 2eki s LYS 19 CO 0.51 -1.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.38 2eki n GLY 20 N 5.34 2.80 3.76 -3.33 0.00 -1.26 -5.04 105.19 107.46 2eki n GLY 20 Ca 0.18 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2eki n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eki s GLN 21 N 0.00 1.66 0.38 1.61 -0.21 -1.24 -5.04 119.66 116.82 2eki s GLN 21 Ca 0.00 0.70 -0.14 0.00 0.02 0.00 0.00 55.36 55.94 2eki s GLN 21 Cb 0.00 -1.87 -0.08 0.00 1.00 0.00 0.00 33.01 32.06 2eki s GLN 21 CO 0.00 -1.93 0.79 -0.48 -2.12 0.00 0.00 175.29 171.55 2eki s LEU 22 N -5.99 3.93 -0.07 2.90 0.05 -1.26 -4.29 118.68 113.95 2eki s LEU 22 Ca 0.62 1.29 -0.30 0.00 0.05 0.00 0.00 54.13 55.79 2eki s LEU 22 Cb -0.16 -4.13 -0.05 0.00 -2.05 0.00 0.00 46.19 39.80 2eki s LEU 22 CO 0.55 -0.32 1.50 -2.16 -0.55 0.00 0.00 176.35 175.37 2eki s PRO 23 N -3.39 4.22 -0.06 1.48 0.04 -1.26 -4.68 135.00 131.34 2eki s PRO 23 Ca 0.54 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.28 2eki s PRO 23 Cb -0.10 -3.83 -0.09 0.00 0.04 0.00 0.00 34.50 30.52 2eki s PRO 23 CO 0.23 -0.75 2.02 -0.25 0.04 0.00 0.00 177.00 178.29 2eki n ASP 24 N 6.57 3.75 -0.17 6.66 9.92 -1.20 -4.83 116.55 137.25 2eki n ASP 24 Ca 0.15 0.76 0.07 0.00 -0.53 0.00 0.00 54.79 55.25 2eki n ASP 24 Cb 0.43 -1.49 -0.05 0.00 -0.64 0.00 0.00 41.12 39.38 2eki n ASP 24 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2eki n TYR 25 N 8.27 0.00 -0.01 1.24 4.01 -1.26 -4.29 117.16 125.11 2eki n TYR 25 Ca 0.23 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 58.02 2eki n TYR 25 Cb 0.38 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.32 2eki n TYR 25 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2eki n THR 26 N -0.79 0.13 -2.74 -0.72 -2.24 -1.26 -4.66 114.28 102.01 2eki n THR 26 Ca 0.05 -0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.25 2eki n THR 26 Cb 0.28 0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 2eki n THR 26 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2eki n SER 27 N -2.02 4.16 -4.75 3.42 7.64 -1.26 -5.09 113.62 115.73 2eki n SER 27 Ca -0.05 -3.60 -0.31 0.00 1.01 0.00 0.00 58.87 55.93 2eki n SER 27 Cb 0.42 -0.52 0.11 0.00 -1.01 0.00 0.00 64.21 63.21 2eki n SER 27 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eki s PRO 28 N -3.41 1.88 -0.29 1.43 0.04 -1.26 -4.93 135.00 128.46 2eki s PRO 28 Ca 0.47 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 2eki s PRO 28 Cb 0.35 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 2eki s PRO 28 CO -0.15 -1.87 0.33 0.54 0.04 0.00 0.00 177.00 175.90 2eki s VAL 29 N -2.91 5.20 -0.61 -0.36 0.11 -1.22 -4.88 120.40 115.72 2eki s VAL 29 Ca 0.62 0.37 -0.22 0.00 -2.93 0.00 0.00 61.98 59.82 2eki s VAL 29 Cb -0.17 -3.69 0.06 0.00 -1.53 0.00 0.00 36.38 31.05 2eki s VAL 29 CO 0.56 0.12 0.90 -0.69 -3.33 0.00 0.00 175.10 172.66 2eki s VAL 30 N 2.00 4.45 0.10 2.04 1.01 -1.26 -1.85 120.40 126.88 2eki s VAL 30 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2eki s VAL 30 Cb -0.16 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2eki s VAL 30 CO 0.11 -1.27 0.27 -0.76 0.00 0.00 0.00 175.10 173.45 2eki s LEU 31 N 3.75 4.32 -0.09 3.92 1.43 -0.47 -4.92 118.68 126.61 2eki s LEU 31 Ca 0.22 0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 2eki s LEU 31 Cb -0.17 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.95 2eki s LEU 31 CO 0.12 0.11 1.52 -2.16 0.23 0.00 0.00 176.35 176.18 2eki s PRO 32 N -2.67 4.19 0.13 1.29 0.04 -1.26 -3.01 135.00 133.71 2eki s PRO 32 Ca 0.37 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 2eki s PRO 32 Cb -0.12 -3.91 -0.09 0.00 0.04 0.00 0.00 34.50 30.41 2eki s PRO 32 CO 0.27 -0.81 1.50 -0.92 0.04 0.00 0.00 177.00 177.09 2eki h TYR 33 N 9.11 -1.64 -1.61 0.56 5.03 -1.56 0.46 116.97 127.31 2eki h TYR 33 Ca -0.35 0.09 0.51 0.00 2.58 0.00 0.00 58.73 61.57 2eki h TYR 33 Cb 1.15 0.79 -0.12 0.00 1.55 0.00 0.00 36.73 40.10 2eki h TYR 33 CO 0.86 -0.42 1.10 0.77 -1.32 0.00 0.00 178.16 179.14 2eki h SER 34 N -0.26 0.12 -3.71 -2.11 0.02 -1.89 -2.81 113.55 102.92 2eki h SER 34 Ca 0.09 0.09 -0.62 0.00 -0.84 0.00 0.00 61.79 60.51 2eki h SER 34 Cb 0.50 0.10 -0.41 0.00 0.14 0.00 0.00 62.40 62.73 2eki h SER 34 CO -0.65 -0.16 -0.69 -0.13 -1.14 0.00 0.00 176.83 174.07 2eki s ARG 35 N -5.11 1.69 -0.15 3.45 1.81 0.16 -5.07 118.95 115.72 2eki s ARG 35 Ca -0.06 -2.43 -0.00 0.00 -1.72 0.00 0.00 55.73 51.52 2eki s ARG 35 Cb 0.29 -2.80 0.03 0.00 -0.45 0.00 0.00 34.95 32.02 2eki s ARG 35 CO 0.85 -1.17 -0.08 0.95 -0.68 0.00 0.00 175.30 175.17 2eki s THR 36 N -0.15 1.25 -0.19 0.02 -4.23 -1.06 -4.10 115.64 107.18 2eki s THR 36 Ca 0.19 -0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 59.81 2eki s THR 36 Cb -0.21 -1.33 0.12 0.00 1.34 0.00 0.00 72.50 72.43 2eki s THR 36 CO -0.03 0.25 1.00 0.42 -0.54 0.00 0.00 174.62 175.72 2eki s THR 37 N 1.59 0.00 0.42 3.99 -4.23 -1.26 -3.63 115.64 112.52 2eki s THR 37 Ca 0.02 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.78 2eki s THR 37 Cb -0.14 -1.00 0.44 0.00 1.34 0.00 0.00 72.50 73.13 2eki s THR 37 CO -0.08 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.26 2eki h VAL 38 N 2.85 0.28 -0.30 2.29 2.07 -1.23 0.55 116.25 122.78 2eki h VAL 38 Ca -0.21 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 2eki h VAL 38 Cb 1.16 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2eki h VAL 38 CO 0.26 0.04 -0.34 1.05 0.02 0.00 0.00 177.57 178.60 2eki h GLU 39 N 0.21 0.75 -0.41 1.57 4.11 -1.79 -2.40 114.58 116.63 2eki h GLU 39 Ca 0.73 -0.41 0.08 0.00 0.07 0.00 0.00 59.36 59.83 2eki h GLU 39 Cb 2.10 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.35 2eki h GLU 39 CO -0.39 1.04 0.28 0.22 0.07 0.00 0.00 179.01 180.23 2eki h ASP 40 N 0.51 0.18 0.06 3.06 3.58 -0.21 -2.17 116.42 121.43 2eki h ASP 40 Ca 0.04 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.35 2eki h ASP 40 Cb 0.92 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.95 2eki h ASP 40 CO 0.08 0.12 -0.61 0.15 -2.88 0.00 0.00 179.24 176.10 2eki h PHE 41 N 0.21 0.49 -1.04 0.28 3.04 -1.28 -3.27 116.94 115.38 2eki h PHE 41 Ca 0.19 -0.31 0.28 0.00 3.98 0.00 0.00 57.97 62.11 2eki h PHE 41 Cb 0.48 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.89 2eki h PHE 41 CO -0.00 1.18 0.71 0.00 -2.02 0.00 0.00 178.31 178.18 2eki h MET 43 N 0.20 0.53 -0.26 0.00 2.86 -1.54 -1.15 114.93 115.56 2eki h MET 43 Ca 0.54 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2eki h MET 43 Cb 1.75 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.38 2eki h MET 43 CO -0.14 0.81 0.11 0.87 1.06 0.00 0.00 176.91 179.62 2eki h LYS 44 N 0.45 0.36 0.00 1.72 1.79 -0.10 -3.34 116.57 117.46 2eki h LYS 44 Ca 0.05 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2eki h LYS 44 Cb 0.82 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2eki h LYS 44 CO 0.07 0.30 0.00 -0.89 -1.08 0.00 0.00 179.45 177.85 2eki n ILE 45 N -4.43 0.00 -3.92 1.86 2.08 -1.08 -4.98 119.36 108.89 2eki n ILE 45 Ca 0.01 0.36 -0.21 0.00 0.56 0.00 0.00 62.75 63.46 2eki n ILE 45 Cb 0.12 -1.18 -0.17 0.00 -0.75 0.00 0.00 39.64 37.66 2eki n ILE 45 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2eki s HIS 46 N -0.71 0.67 0.65 1.39 2.46 -0.46 -5.00 115.29 114.29 2eki s HIS 46 Ca 0.00 -0.17 0.43 0.00 0.47 0.00 0.00 55.06 55.79 2eki s HIS 46 Cb 0.00 -0.72 2.33 0.00 -0.13 0.00 0.00 32.58 34.06 2eki s HIS 46 CO 0.00 -0.27 2.31 1.57 -2.47 0.00 0.00 174.74 175.89 2eki h LYS 47 N 7.84 0.00 -0.53 2.88 2.10 -1.74 0.10 116.57 127.22 2eki h LYS 47 Ca -0.28 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.10 2eki h LYS 47 Cb 1.13 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.30 2eki h LYS 47 CO 0.35 0.00 0.12 0.09 -2.00 0.00 0.00 179.45 178.01 2eki n ASN 48 N -3.04 2.84 -0.11 7.07 5.03 -1.26 -4.59 115.26 121.20 2eki n ASN 48 Ca -0.03 -3.73 -0.20 0.00 0.87 0.00 0.00 54.58 51.49 2eki n ASN 48 Cb 0.10 -0.69 -0.09 0.00 -1.02 0.00 0.00 39.78 38.08 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2eki n LEU 49 N -1.11 1.88 -0.39 3.41 7.94 0.02 -4.20 117.00 124.55 2eki n LEU 49 Ca 0.40 0.44 0.37 0.00 -1.11 0.00 0.00 56.01 56.11 2eki n LEU 49 Cb 1.21 -0.90 0.61 0.00 0.53 0.00 0.00 43.42 44.87 2eki n LEU 49 CO 0.30 0.18 1.35 -0.29 -1.11 0.00 0.00 177.39 177.82 2eki h ILE 50 N -1.00 0.05 -0.30 1.96 6.09 -1.81 1.44 117.51 123.93 2eki h ILE 50 Ca -0.35 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.03 2eki h ILE 50 Cb 1.22 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 2eki h ILE 50 CO -0.21 0.00 -0.26 0.11 -3.07 0.00 0.00 178.15 174.72 2eki h LYS 51 N 0.00 0.71 0.00 2.19 1.57 -1.89 -3.17 116.57 115.97 2eki h LYS 51 Ca 0.65 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2eki h LYS 51 Cb 3.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 35.43 2eki h LYS 51 CO -0.01 0.97 -0.85 0.93 -0.57 0.00 0.00 179.45 179.93 2eki h GLU 52 N 0.46 0.00 -6.35 3.15 4.39 0.16 -3.47 114.58 112.92 2eki h GLU 52 Ca 0.05 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.17 2eki h GLU 52 Cb 0.82 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.50 2eki h GLU 52 CO 0.07 0.03 1.07 0.34 -1.16 0.00 0.00 179.01 179.36 2eki n PHE 53 N -2.77 2.38 -0.09 4.33 7.35 0.12 -0.67 117.46 128.11 2eki n PHE 53 Ca 0.00 -0.04 -0.10 0.00 -0.76 0.00 0.00 57.45 56.56 2eki n PHE 53 Cb 0.57 -2.68 -0.04 0.00 0.35 0.00 0.00 39.48 37.69 2eki n PHE 53 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2eki n LYS 54 N 6.14 0.51 -3.95 -4.13 4.81 0.47 -4.78 118.16 117.24 2eki n LYS 54 Ca 0.21 0.35 -0.09 0.00 -0.87 0.00 0.00 58.31 57.91 2eki n LYS 54 Cb 0.32 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.79 2eki n LYS 54 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2eki s TYR 55 N -2.60 0.29 -0.01 5.64 -0.85 -1.25 -4.91 117.35 113.65 2eki s TYR 55 Ca -0.25 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 55.64 2eki s TYR 55 Cb 0.04 0.38 -0.01 0.00 0.38 0.00 0.00 41.96 42.76 2eki s TYR 55 CO 0.37 -1.17 -0.13 0.00 -1.52 0.00 0.00 175.55 173.10 2eki s ALA 56 N -3.59 1.08 -0.82 9.51 0.00 -0.60 -2.85 121.76 124.50 2eki s ALA 56 Ca 0.20 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 2eki s ALA 56 Cb -0.03 -0.29 0.21 0.00 0.00 0.00 0.00 23.12 23.02 2eki s ALA 56 CO 0.10 0.26 0.72 -0.51 0.00 0.00 0.00 175.76 176.33 2eki s LEU 57 N -0.25 5.99 0.38 0.00 1.43 -1.25 -0.40 118.68 124.59 2eki s LEU 57 Ca 0.04 -3.08 -0.26 0.00 -1.03 0.00 0.00 54.13 49.79 2eki s LEU 57 Cb -0.06 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 2eki s LEU 57 CO -0.00 -0.39 1.26 -0.69 0.23 0.00 0.00 176.35 176.75 2eki s VAL 58 N -0.42 2.82 -0.29 -1.59 1.01 -0.99 -3.74 120.40 117.21 2eki s VAL 58 Ca 0.21 0.75 0.14 0.00 0.00 0.00 0.00 61.98 63.08 2eki s VAL 58 Cb -0.13 -3.44 0.48 0.00 0.00 0.00 0.00 36.38 33.29 2eki s VAL 58 CO -0.08 0.12 1.14 0.79 0.00 0.00 0.00 175.10 177.07 2eki n TRP 59 N 0.30 2.09 -3.81 5.22 8.01 -0.56 -3.01 117.44 125.68 2eki n TRP 59 Ca 0.03 -2.28 0.00 0.00 -1.31 0.00 0.00 57.50 53.94 2eki n TRP 59 Cb 0.44 -0.28 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 2eki n TRP 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2eki n GLY 60 N -0.61 4.60 0.20 6.99 0.00 -1.26 -4.50 105.19 110.60 2eki n GLY 60 Ca 0.26 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.42 2eki n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2eki h LEU 61 N 0.00 0.00 -1.41 0.99 4.07 -1.93 -2.91 115.31 114.12 2eki h LEU 61 Ca 0.00 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.15 2eki h LEU 61 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 2eki h LEU 61 CO 0.00 0.33 0.85 0.77 -1.08 0.00 0.00 178.44 179.31 2eki h SER 62 N 0.00 0.00 -3.70 -0.43 4.64 -1.96 -3.36 113.55 108.74 2eki h SER 62 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2eki h SER 62 Cb 0.66 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.43 2eki h SER 62 CO 0.04 0.00 -0.85 0.68 -0.87 0.00 0.00 176.83 175.83 2eki s VAL 63 N -4.45 1.65 0.06 0.95 -7.23 -1.10 -5.04 120.40 105.24 2eki s VAL 63 Ca -0.03 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.06 2eki s VAL 63 Cb 0.13 -1.43 -0.17 0.00 0.56 0.00 0.00 36.38 35.48 2eki s VAL 63 CO 0.45 0.47 1.58 0.11 -0.31 0.00 0.00 175.10 177.40 2eki h LYS 64 N 6.46 -0.31 -5.11 4.82 1.79 -1.84 -3.42 116.57 118.95 2eki h LYS 64 Ca -0.29 0.02 -0.65 0.00 -2.18 0.00 0.00 60.65 57.55 2eki h LYS 64 Cb 1.19 0.07 -0.25 0.00 -1.58 0.00 0.00 32.23 31.66 2eki h LYS 64 CO 0.47 -0.13 -0.70 -1.01 -1.08 0.00 0.00 179.45 177.00 2eki s HIS 65 N -5.71 2.97 0.10 -1.35 3.76 -1.26 -5.08 115.29 108.72 2eki s HIS 65 Ca -0.15 -0.66 0.10 0.00 -0.15 0.00 0.00 55.06 54.20 2eki s HIS 65 Cb 0.04 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2eki s HIS 65 CO 0.63 -0.34 -0.23 -0.80 -0.85 0.00 0.00 174.74 173.15 2eki s ASN 66 N 1.05 3.50 0.84 1.40 -0.87 -1.26 -3.76 114.94 115.84 2eki s ASN 66 Ca 0.01 -0.62 -0.11 0.00 -1.57 0.00 0.00 52.86 50.57 2eki s ASN 66 Cb -0.15 -0.37 0.10 0.00 -0.02 0.00 0.00 41.25 40.81 2eki s ASN 66 CO 0.00 0.21 1.09 -2.16 -2.57 0.00 0.00 177.10 173.67 2eki s PRO 67 N -1.81 1.69 -0.04 -0.60 0.04 -1.26 -5.12 135.00 127.90 2eki s PRO 67 Ca 0.15 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.17 2eki s PRO 67 Cb -0.10 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.61 2eki s PRO 67 CO 0.06 -1.98 -0.05 -1.14 0.04 0.00 0.00 177.00 173.93 2eki s GLN 68 N -4.92 0.78 -0.55 4.56 0.74 -1.16 -4.97 119.66 114.14 2eki s GLN 68 Ca 0.62 -0.13 -0.26 0.00 0.05 0.00 0.00 55.36 55.64 2eki s GLN 68 Cb -0.18 -0.78 0.03 0.00 1.10 0.00 0.00 33.01 33.19 2eki s GLN 68 CO 0.57 -0.04 1.05 0.21 -0.55 0.00 0.00 175.29 176.53 2eki s LYS 69 N 0.72 3.45 0.31 1.67 2.20 -1.25 -2.34 119.74 124.49 2eki s LYS 69 Ca -0.10 0.04 0.08 0.00 -0.36 0.00 0.00 55.97 55.64 2eki s LYS 69 Cb -0.13 -4.01 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2eki s LYS 69 CO 0.00 -1.52 0.19 0.14 -0.36 0.00 0.00 175.35 173.80 2eki s VAL 70 N 4.34 3.53 0.00 4.02 -7.23 0.47 -4.90 120.40 120.64 2eki s VAL 70 Ca 0.37 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2eki s VAL 70 Cb -0.10 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2eki s VAL 70 CO 0.23 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2eki n GLY 71 N -1.21 1.55 0.01 2.32 0.00 -1.26 -1.55 105.19 105.04 2eki n GLY 71 Ca -0.04 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.43 2eki n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2eki n LYS 72 N 0.00 0.76 0.00 1.61 2.85 -1.26 -4.25 118.16 117.87 2eki n LYS 72 Ca 0.00 -0.11 0.13 0.00 -1.05 0.00 0.00 58.31 57.28 2eki n LYS 72 Cb 0.00 -1.40 0.39 0.00 -0.65 0.00 0.00 35.03 33.37 2eki n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2eki n ASP 73 N -1.90 1.13 -4.70 -5.58 -0.08 -1.26 -2.59 116.55 101.57 2eki n ASP 73 Ca -0.01 -1.00 -0.42 0.00 -1.51 0.00 0.00 54.79 51.85 2eki n ASP 73 Cb 0.41 0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2eki s HIS 74 N -2.42 2.87 0.16 -0.67 2.46 -1.26 -4.84 115.29 111.58 2eki s HIS 74 Ca 0.26 0.72 -0.30 0.00 0.47 0.00 0.00 55.06 56.21 2eki s HIS 74 Cb 0.19 -3.76 -0.07 0.00 -0.13 0.00 0.00 32.58 28.81 2eki s HIS 74 CO 0.49 -2.85 1.10 0.99 -2.47 0.00 0.00 174.74 172.00 2eki s THR 75 N 2.01 3.94 0.26 0.89 2.01 -1.26 -1.22 115.64 122.27 2eki s THR 75 Ca 0.67 1.63 -0.15 0.00 0.31 0.00 0.00 61.69 64.15 2eki s THR 75 Cb -0.36 -4.04 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 2eki s THR 75 CO 0.29 0.26 0.68 -0.76 -0.69 0.00 0.00 174.62 174.40 2eki s LEU 76 N -0.18 4.19 0.11 4.42 1.43 -1.24 -4.89 118.68 122.52 2eki s LEU 76 Ca 0.50 1.24 0.09 0.00 -1.03 0.00 0.00 54.13 54.93 2eki s LEU 76 Cb -0.29 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 2eki s LEU 76 CO 0.34 -0.08 -0.19 -1.61 0.23 0.00 0.00 176.35 175.04 2eki s GLU 77 N -2.55 1.79 0.42 1.70 0.41 -1.26 -4.80 118.70 114.41 2eki s GLU 77 Ca 0.48 -1.16 -0.26 0.00 -0.41 0.00 0.00 54.97 53.62 2eki s GLU 77 Cb -0.13 -2.11 -0.10 0.00 -1.78 0.00 0.00 34.13 30.02 2eki s GLU 77 CO 0.19 0.49 1.27 -0.40 -0.49 0.00 0.00 175.26 176.31 2eki n ASP 78 N 0.92 2.53 -3.41 -0.19 5.75 -1.26 -2.93 116.55 117.96 2eki n ASP 78 Ca -0.16 1.11 -0.17 0.00 -0.01 0.00 0.00 54.79 55.56 2eki n ASP 78 Cb 0.53 -1.50 0.08 0.00 -1.03 0.00 0.00 41.12 39.20 2eki n ASP 78 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2eki n GLU 79 N 0.08 -5.03 -4.36 0.11 1.02 0.56 -4.84 120.64 108.17 2eki n GLU 79 Ca 0.07 0.82 -0.19 0.00 -0.02 0.00 0.00 57.16 57.83 2eki n GLU 79 Cb 0.39 -5.74 -0.15 0.00 -0.02 0.00 0.00 31.44 25.92 2eki n GLU 79 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2eki s ASP 80 N -4.05 1.11 -0.20 1.62 1.11 -1.15 -4.83 116.67 110.28 2eki s ASP 80 Ca 0.15 -0.17 -0.14 0.00 0.18 0.00 0.00 52.55 52.57 2eki s ASP 80 Cb -0.02 -0.23 -0.04 0.00 1.07 0.00 0.00 42.92 43.70 2eki s ASP 80 CO 0.75 0.08 0.29 -0.69 1.18 0.00 0.00 175.17 176.78 2eki s VAL 81 N 0.03 5.28 -0.09 -1.27 1.01 -1.26 -1.57 120.40 122.53 2eki s VAL 81 Ca -0.00 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2eki s VAL 81 Cb -0.06 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2eki s VAL 81 CO 0.00 0.33 -0.11 -0.51 0.00 0.00 0.00 175.10 174.81 2eki s ILE 82 N 0.94 1.14 -0.62 2.22 2.07 -1.06 -1.50 121.20 124.40 2eki s ILE 82 Ca 0.15 -0.43 -0.16 0.00 -1.41 0.00 0.00 60.65 58.80 2eki s ILE 82 Cb -0.14 -1.08 0.14 0.00 0.13 0.00 0.00 42.46 41.51 2eki s ILE 82 CO 0.05 0.37 0.61 -1.58 -1.91 0.00 0.00 174.94 172.48 2eki s GLN 83 N 1.10 3.15 -0.50 3.50 0.74 -1.25 -1.47 119.66 124.93 2eki s GLN 83 Ca -0.06 -1.81 -0.27 0.00 0.05 0.00 0.00 55.36 53.27 2eki s GLN 83 Cb -0.14 -4.34 -0.01 0.00 1.10 0.00 0.00 33.01 29.62 2eki s GLN 83 CO -0.02 -1.37 1.73 0.42 -0.55 0.00 0.00 175.29 175.50 2eki s ILE 84 N 1.50 3.51 0.02 -2.34 -1.09 -1.26 -3.74 121.20 117.80 2eki s ILE 84 Ca 0.08 0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 2eki s ILE 84 Cb -0.24 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2eki s ILE 84 CO 0.01 -0.79 0.24 0.68 -1.23 0.00 0.00 174.94 173.85 2eki s VAL 85 N 7.59 5.35 -0.17 2.92 -7.23 -1.13 -4.86 120.40 122.86 2eki s VAL 85 Ca 0.68 -0.05 -0.03 0.00 -1.81 0.00 0.00 61.98 60.78 2eki s VAL 85 Cb -0.15 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 2eki s VAL 85 CO 0.26 0.28 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.73 2eki s LYS 86 N -2.04 3.49 1.27 4.82 1.02 -1.26 -0.39 119.74 126.65 2eki s LYS 86 Ca 0.30 -0.60 -0.21 0.00 0.02 0.00 0.00 55.97 55.48 2eki s LYS 86 Cb -0.13 -2.86 0.31 0.00 -0.52 0.00 0.00 37.83 34.64 2eki s LYS 86 CO 0.20 0.09 1.08 -1.59 -0.92 0.00 0.00 175.35 174.20 2eki s LYS 87 N 0.72 -1.74 0.23 1.68 -2.85 0.16 -4.86 119.74 113.08 2eki s LYS 87 Ca -0.03 -0.09 -0.10 0.00 -1.00 0.00 0.00 55.97 54.74 2eki s LYS 87 Cb -0.15 -1.54 -0.07 0.00 -2.06 0.00 0.00 37.83 34.01 2eki s LYS 87 CO 0.02 -4.05 0.56 -1.12 0.10 0.00 0.00 175.35 170.87 2eki s SER 88 N -3.81 6.66 0.18 0.03 0.01 -1.26 -4.99 113.70 110.52 2eki s SER 88 Ca 0.71 0.96 -0.27 0.00 1.31 0.00 0.00 55.95 58.67 2eki s SER 88 Cb -0.09 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 2eki s SER 88 CO 0.56 -0.07 0.83 -0.83 0.41 0.00 0.00 173.24 174.14 2eki s GLY 89 N -2.29 2.98 0.00 3.44 0.00 -1.26 -4.93 107.32 105.25 2eki s GLY 89 Ca 0.47 0.44 0.15 0.00 0.00 0.00 0.00 44.72 45.79 2eki s GLY 89 CO 0.21 0.99 1.35 -1.55 0.00 0.00 0.00 173.10 174.10 2eki n PRO 90 N 1.64 0.43 -0.06 2.90 -0.04 -1.26 -3.94 135.00 134.68 2eki n PRO 90 Ca -0.04 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 2eki n PRO 90 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 2eki n PRO 90 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2eki h SER 91 N 0.00 -0.89 -4.47 3.54 0.87 -2.05 -3.46 113.55 107.09 2eki h SER 91 Ca 0.00 0.11 0.20 0.00 -1.23 0.00 0.00 61.79 60.88 2eki h SER 91 Cb 0.03 0.36 -0.17 0.00 -0.44 0.00 0.00 62.40 62.18 2eki h SER 91 CO 0.00 -0.20 0.69 -0.94 -0.53 0.00 0.00 176.83 175.85 2eki s SER 92 N -3.81 -0.22 0.00 6.23 1.04 -1.25 -5.33 113.70 110.35 2eki s SER 92 Ca -0.07 -0.01 0.12 0.00 0.48 0.00 0.00 55.95 56.46 2eki s SER 92 Cb 0.04 0.24 0.09 0.00 0.10 0.00 0.00 66.02 66.49 2eki s SER 92 CO 0.30 -0.39 0.87 0.61 0.98 0.00 0.00 173.24 175.60