#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki n SER 2 N 0.00 -1.83 -3.72 1.61 7.64 -1.26 -4.99 113.62 111.07 2eki n SER 2 Ca 0.00 0.90 -0.14 0.00 1.01 0.00 0.00 58.87 60.63 2eki n SER 2 Cb 0.00 -0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 62.13 2eki n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2eki s SER 3 N -0.97 -0.27 -0.31 6.43 0.15 -1.26 -5.14 113.70 112.33 2eki s SER 3 Ca 0.61 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.46 2eki s SER 3 Cb -0.66 0.35 0.13 0.00 -1.71 0.00 0.00 66.02 64.13 2eki s SER 3 CO 0.60 -0.47 0.26 -0.83 1.20 0.00 0.00 173.24 173.99 2eki s GLY 4 N -1.30 0.16 0.08 9.45 0.00 -1.26 -5.02 107.32 109.43 2eki s GLY 4 Ca -0.13 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 2eki s GLY 4 CO 0.05 2.45 1.65 0.23 0.00 0.00 0.00 173.10 177.49 2eki h SER 5 N 7.93 -0.61 -1.58 1.64 0.87 -2.05 -3.41 113.55 116.34 2eki h SER 5 Ca -0.09 0.03 -0.65 0.00 -1.23 0.00 0.00 61.79 59.85 2eki h SER 5 Cb 1.04 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2eki h SER 5 CO 0.33 -0.40 1.25 -1.20 -0.53 0.00 0.00 176.83 176.28 2eki n SER 6 N -5.38 2.75 -2.53 6.23 7.64 -1.26 -4.92 113.62 116.14 2eki n SER 6 Ca -0.11 0.66 -0.12 0.00 1.01 0.00 0.00 58.87 60.32 2eki n SER 6 Cb 0.28 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 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 5.43 3.68 0.74 0.23 0.00 -1.26 -5.03 105.19 108.97 2eki n GLY 7 Ca 0.32 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.46 2eki n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2eki n TYR 8 N -0.41 0.29 -1.54 1.61 0.18 -1.26 -4.88 117.16 111.14 2eki n TYR 8 Ca -0.02 -0.15 -0.32 0.00 1.88 0.00 0.00 57.90 59.30 2eki n TYR 8 Cb 0.29 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.18 2eki n TYR 8 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2eki n LEU 9 N 0.69 1.66 -4.93 -3.48 4.77 -1.26 -4.92 117.00 109.54 2eki n LEU 9 Ca 0.17 -0.60 -0.26 0.00 -0.03 0.00 0.00 56.01 55.30 2eki n LEU 9 Cb 0.42 -1.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.13 2eki n LEU 9 CO 0.14 -1.64 0.57 -0.75 -1.33 0.00 0.00 177.39 174.38 2eki s LYS 10 N 8.47 2.49 -0.03 3.23 2.20 -1.26 -4.90 119.74 129.94 2eki s LYS 10 Ca 1.05 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 2eki s LYS 10 Cb -0.38 -2.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2eki s LYS 10 CO 0.28 -1.01 -0.11 -0.51 -0.36 0.00 0.00 175.35 173.64 2eki s LEU 11 N -5.12 1.86 -0.02 5.43 1.43 -1.26 -1.09 118.68 119.90 2eki s LEU 11 Ca 0.58 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 2eki s LEU 11 Cb -0.11 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2eki s LEU 11 CO 0.45 0.10 -0.18 0.68 0.23 0.00 0.00 176.35 177.63 2eki s VAL 12 N 0.07 1.43 -0.33 -1.59 -7.23 -1.19 -4.96 120.40 106.60 2eki s VAL 12 Ca -0.02 -0.76 -0.15 0.00 -1.81 0.00 0.00 61.98 59.24 2eki s VAL 12 Cb -0.08 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 2eki s VAL 12 CO 0.01 0.41 0.35 -0.13 -0.31 0.00 0.00 175.10 175.42 2eki s ARG 13 N -0.31 3.61 -0.43 4.82 3.00 -1.26 -2.80 118.95 125.57 2eki s ARG 13 Ca 0.04 -0.39 -0.10 0.00 0.00 0.00 0.00 55.73 55.28 2eki s ARG 13 Cb -0.08 -3.79 0.08 0.00 0.00 0.00 0.00 34.95 31.17 2eki s ARG 13 CO 0.00 -0.48 0.29 0.42 0.00 0.00 0.00 175.30 175.52 2eki s ILE 14 N 1.99 4.33 -0.46 1.52 -1.09 -0.96 -1.06 121.20 125.47 2eki s ILE 14 Ca 0.11 -1.42 -0.27 0.00 -2.23 0.00 0.00 60.65 56.84 2eki s ILE 14 Cb -0.17 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2eki s ILE 14 CO 0.11 -0.55 1.87 -0.31 -1.23 0.00 0.00 174.94 174.83 2eki s TYR 15 N 1.44 1.69 -0.06 3.97 2.02 0.77 -3.25 117.35 123.92 2eki s TYR 15 Ca 0.03 0.77 -0.30 0.00 -0.37 0.00 0.00 57.07 57.21 2eki s TYR 15 Cb -0.24 -4.07 -0.03 0.00 -0.40 0.00 0.00 41.96 37.23 2eki s TYR 15 CO 0.02 -2.65 1.11 -0.08 -1.57 0.00 0.00 175.55 172.38 2eki s THR 16 N 8.21 4.48 -0.32 -0.71 -1.32 -1.26 -0.74 115.64 123.97 2eki s THR 16 Ca 0.76 1.78 -0.06 0.00 -1.21 0.00 0.00 61.69 62.96 2eki s THR 16 Cb -0.18 -4.14 0.03 0.00 -1.51 0.00 0.00 72.50 66.70 2eki s THR 16 CO 0.28 0.02 0.07 -0.75 -2.21 0.00 0.00 174.62 172.03 2eki s LYS 17 N 1.98 2.72 1.05 7.08 2.20 0.07 -3.78 119.74 131.07 2eki s LYS 17 Ca 0.53 -1.10 -0.14 0.00 -0.36 0.00 0.00 55.97 54.90 2eki s LYS 17 Cb -0.22 -3.37 0.22 0.00 -1.51 0.00 0.00 37.83 32.95 2eki s LYS 17 CO 0.21 -0.59 1.10 -1.25 -0.36 0.00 0.00 175.35 174.46 2eki s PRO 18 N 1.40 -0.01 -0.14 4.03 0.04 -1.26 -4.10 135.00 134.95 2eki s PRO 18 Ca -0.01 0.36 0.01 0.00 0.04 0.00 0.00 61.00 61.41 2eki s PRO 18 Cb -0.19 -1.70 0.22 0.00 0.04 0.00 0.00 34.50 32.87 2eki s PRO 18 CO 0.02 -2.99 1.29 0.36 0.04 0.00 0.00 177.00 175.71 2eki n LYS 19 N -4.33 1.41 0.00 4.56 -0.00 -1.26 -4.55 118.16 113.98 2eki n LYS 19 Ca 0.07 -0.97 0.00 0.00 -0.00 0.00 0.00 58.31 57.41 2eki n LYS 19 Cb 0.58 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 2eki n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2eki n GLY 20 N -0.03 -1.99 3.33 2.58 0.00 -1.26 -5.15 105.19 102.67 2eki n GLY 20 Ca 0.19 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.60 -2.83 0.25 1.61 -1.52 -1.26 -5.00 119.66 110.31 2eki s GLN 21 Ca 0.00 0.10 -0.11 0.00 -1.95 0.00 0.00 55.36 53.40 2eki s GLN 21 Cb 0.00 -1.39 -0.08 0.00 -0.22 0.00 0.00 33.01 31.32 2eki s GLN 21 CO 0.00 -4.80 0.60 -0.48 -0.25 0.00 0.00 175.29 170.35 2eki s LEU 22 N -7.78 4.14 -0.14 2.90 0.05 -1.26 -4.36 118.68 112.23 2eki s LEU 22 Ca 0.69 1.02 -0.29 0.00 0.05 0.00 0.00 54.13 55.59 2eki s LEU 22 Cb -0.12 -3.79 -0.04 0.00 -2.05 0.00 0.00 46.19 40.19 2eki s LEU 22 CO 0.58 -0.11 1.55 -2.16 -0.55 0.00 0.00 176.35 175.66 2eki s PRO 23 N -2.86 4.05 0.20 1.48 0.04 -1.26 -4.76 135.00 131.89 2eki s PRO 23 Ca 0.49 1.88 -0.32 0.00 0.04 0.00 0.00 61.00 63.09 2eki s PRO 23 Cb -0.11 -3.96 -0.12 0.00 0.04 0.00 0.00 34.50 30.35 2eki s PRO 23 CO 0.20 -0.98 1.72 -0.25 0.04 0.00 0.00 177.00 177.74 2eki n ASP 24 N 7.50 3.97 -0.36 6.66 8.00 -1.25 -4.88 116.55 136.19 2eki n ASP 24 Ca 0.17 1.06 0.04 0.00 0.71 0.00 0.00 54.79 56.77 2eki n ASP 24 Cb 0.44 -1.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.04 2eki n ASP 24 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2eki n TYR 25 N 4.01 0.14 0.00 1.24 4.01 -1.26 -4.39 117.16 120.91 2eki n TYR 25 Ca 0.16 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2eki n TYR 25 Cb 0.35 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2eki n TYR 25 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2eki n THR 26 N 0.30 0.00 -2.57 -0.72 5.66 -1.26 -4.78 114.28 110.91 2eki n THR 26 Ca 0.06 -0.13 -0.18 0.00 -3.05 0.00 0.00 64.05 60.76 2eki n THR 26 Cb 0.27 0.61 0.02 0.00 -1.55 0.00 0.00 70.33 69.67 2eki n THR 26 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2eki n SER 27 N -1.24 2.99 -4.15 1.09 2.88 -1.26 -5.10 113.62 108.82 2eki n SER 27 Ca 0.00 -3.19 -0.29 0.00 -1.33 0.00 0.00 58.87 54.06 2eki n SER 27 Cb 0.00 -0.50 0.22 0.00 -0.75 0.00 0.00 64.21 63.18 2eki n SER 27 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2eki s PRO 28 N -3.32 -0.62 -0.29 -1.46 0.04 -1.26 -4.95 135.00 123.14 2eki s PRO 28 Ca 0.37 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.41 2eki s PRO 28 Cb 0.43 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 33.29 2eki s PRO 28 CO -0.07 -3.35 0.36 0.54 0.04 0.00 0.00 177.00 174.52 2eki s VAL 29 N -2.99 5.17 -0.66 -0.36 0.11 -1.20 -4.91 120.40 115.55 2eki s VAL 29 Ca 0.69 0.39 -0.20 0.00 -2.93 0.00 0.00 61.98 59.93 2eki s VAL 29 Cb -0.13 -3.73 0.10 0.00 -1.53 0.00 0.00 36.38 31.08 2eki s VAL 29 CO 0.57 0.08 0.85 -0.69 -3.33 0.00 0.00 175.10 172.57 2eki s VAL 30 N 2.05 4.65 0.13 2.04 1.01 -1.26 -2.26 120.40 126.76 2eki s VAL 30 Ca 0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 2eki s VAL 30 Cb -0.16 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.57 2eki s VAL 30 CO 0.11 -1.29 0.38 -0.76 0.00 0.00 0.00 175.10 173.53 2eki s LEU 31 N 3.12 4.28 0.08 3.92 1.43 -1.12 -4.93 118.68 125.45 2eki s LEU 31 Ca 0.18 0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 53.58 2eki s LEU 31 Cb -0.19 -3.25 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 2eki s LEU 31 CO 0.05 0.07 1.38 -2.16 0.23 0.00 0.00 176.35 175.93 2eki s PRO 32 N -2.54 4.32 0.11 1.29 0.04 -1.26 -3.16 135.00 133.80 2eki s PRO 32 Ca 0.40 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 2eki s PRO 32 Cb -0.12 -3.35 -0.10 0.00 0.04 0.00 0.00 34.50 30.97 2eki s PRO 32 CO 0.23 -0.47 1.47 -0.92 0.04 0.00 0.00 177.00 177.36 2eki h TYR 33 N 7.12 -1.44 -1.10 0.56 3.20 -1.46 0.13 116.97 123.98 2eki h TYR 33 Ca -0.41 0.07 0.39 0.00 3.14 0.00 0.00 58.73 61.91 2eki h TYR 33 Cb 1.20 0.67 -0.12 0.00 1.54 0.00 0.00 36.73 40.02 2eki h TYR 33 CO 0.69 -0.43 0.70 -1.13 -1.64 0.00 0.00 178.16 176.34 2eki n SER 34 N -4.99 0.18 -3.82 -2.11 3.41 -1.26 -2.40 113.62 102.64 2eki n SER 34 Ca -0.04 1.16 -0.30 0.00 -0.26 0.00 0.00 58.87 59.44 2eki n SER 34 Cb 0.30 -0.57 -0.13 0.00 -0.26 0.00 0.00 64.21 63.55 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2eki s ARG 35 N -4.98 1.60 -0.17 4.33 1.81 0.44 -5.06 118.95 116.92 2eki s ARG 35 Ca -0.06 -2.30 -0.02 0.00 -1.72 0.00 0.00 55.73 51.63 2eki s ARG 35 Cb 0.26 -2.77 0.05 0.00 -0.45 0.00 0.00 34.95 32.03 2eki s ARG 35 CO 0.67 -1.14 -0.01 0.95 -0.68 0.00 0.00 175.30 175.09 2eki s THR 36 N 0.04 0.78 -0.17 0.02 -4.23 -1.01 -4.12 115.64 106.96 2eki s THR 36 Ca 0.18 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 2eki s THR 36 Cb -0.24 -1.12 0.13 0.00 1.34 0.00 0.00 72.50 72.61 2eki s THR 36 CO -0.00 -0.03 1.01 0.42 -0.54 0.00 0.00 174.62 175.48 2eki s THR 37 N 1.76 0.00 0.34 3.99 -4.23 -1.26 -4.11 115.64 112.13 2eki s THR 37 Ca -0.00 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.66 2eki s THR 37 Cb -0.16 -1.00 0.34 0.00 1.34 0.00 0.00 72.50 73.02 2eki s THR 37 CO -0.07 0.00 1.63 0.58 -0.54 0.00 0.00 174.62 176.22 2eki h VAL 38 N 2.57 0.18 -0.11 2.29 2.07 -1.50 0.35 116.25 122.09 2eki h VAL 38 Ca -0.18 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2eki h VAL 38 Cb 1.16 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2eki h VAL 38 CO 0.30 0.03 -0.02 1.05 0.02 0.00 0.00 177.57 178.96 2eki h GLU 39 N 0.19 0.21 -0.49 1.57 4.11 -1.85 -2.25 114.58 116.06 2eki h GLU 39 Ca 0.75 -0.07 0.14 0.00 0.07 0.00 0.00 59.36 60.25 2eki h GLU 39 Cb 1.79 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2eki h GLU 39 CO -0.69 0.49 0.36 -0.44 0.07 0.00 0.00 179.01 178.81 2eki h ASP 40 N -0.09 0.00 0.04 3.06 3.32 -0.68 -1.23 116.42 120.84 2eki h ASP 40 Ca 0.03 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 2eki h ASP 40 Cb 0.41 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.97 2eki h ASP 40 CO 0.01 0.00 -0.69 0.15 -1.72 0.00 0.00 179.24 176.99 2eki h PHE 41 N 0.00 0.62 -0.88 4.55 3.04 -1.03 -3.25 116.94 120.00 2eki h PHE 41 Ca 0.23 -0.37 0.22 0.00 3.98 0.00 0.00 57.97 62.04 2eki h PHE 41 Cb 0.96 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 39.35 2eki h PHE 41 CO 0.00 1.21 0.60 0.00 -2.02 0.00 0.00 178.31 178.10 2eki h MET 43 N 0.25 0.11 -1.37 0.00 2.86 -1.53 -0.29 114.93 114.96 2eki h MET 43 Ca 0.44 -0.03 0.40 0.00 -2.06 0.00 0.00 59.70 58.45 2eki h MET 43 Cb 1.34 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.91 2eki h MET 43 CO -0.11 0.36 0.95 0.87 1.06 0.00 0.00 176.91 180.04 2eki h LYS 44 N -0.14 0.08 0.00 1.72 1.79 -1.19 -2.87 116.57 115.96 2eki h LYS 44 Ca 0.02 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2eki h LYS 44 Cb 0.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2eki h LYS 44 CO 0.00 0.05 -0.13 -0.89 -1.08 0.00 0.00 179.45 177.40 2eki n ILE 45 N -4.29 0.35 -4.07 1.86 2.08 -1.06 -5.00 119.36 109.23 2eki n ILE 45 Ca 0.32 0.43 -0.18 0.00 0.56 0.00 0.00 62.75 63.88 2eki n ILE 45 Cb 1.40 -1.72 -0.16 0.00 -0.75 0.00 0.00 39.64 38.41 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 -1.31 0.52 -1.96 1.39 2.46 -0.14 -5.00 115.29 111.24 2eki s HIS 46 Ca -0.04 -0.10 0.18 0.00 0.47 0.00 0.00 55.06 55.58 2eki s HIS 46 Cb 0.01 -0.50 1.08 0.00 -0.13 0.00 0.00 32.58 33.04 2eki s HIS 46 CO 0.06 -0.13 1.50 0.36 -2.47 0.00 0.00 174.74 174.05 2eki n LYS 47 N 3.91 0.55 -0.09 2.88 2.85 -1.26 -2.00 118.16 125.00 2eki n LYS 47 Ca -0.24 0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.06 2eki n LYS 47 Cb 0.52 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.45 2eki n LYS 47 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2eki n ASN 48 N -1.02 1.58 0.05 -5.58 5.03 -1.26 -4.75 115.26 109.30 2eki n ASN 48 Ca 0.13 -2.25 -0.20 0.00 0.87 0.00 0.00 54.58 53.13 2eki n ASN 48 Cb 0.07 -0.18 -0.13 0.00 -1.02 0.00 0.00 39.78 38.52 2eki n ASN 48 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2eki h LEU 49 N 0.00 0.58 -1.79 3.41 5.85 -1.67 -3.25 115.31 118.44 2eki h LEU 49 Ca 0.00 -0.87 0.23 0.00 0.84 0.00 0.00 57.88 58.09 2eki h LEU 49 Cb 0.87 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2eki h LEU 49 CO 0.00 1.39 0.75 -0.29 -0.34 0.00 0.00 178.44 179.95 2eki h ILE 50 N -0.15 0.30 -0.28 4.05 6.09 -1.85 0.84 117.51 126.51 2eki h ILE 50 Ca -0.13 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.22 2eki h ILE 50 Cb 1.61 0.43 -0.00 0.00 0.47 0.00 0.00 36.82 39.32 2eki h ILE 50 CO 0.16 0.00 -0.35 0.11 -3.07 0.00 0.00 178.15 175.00 2eki h LYS 51 N 0.00 0.73 -0.00 2.19 1.57 -1.91 -3.13 116.57 116.02 2eki h LYS 51 Ca 0.38 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2eki h LYS 51 Cb 1.88 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.22 2eki h LYS 51 CO -0.00 1.03 -0.52 0.39 -0.57 0.00 0.00 179.45 179.78 2eki n GLU 52 N -4.21 0.32 -1.86 3.15 -0.58 0.14 -4.90 120.64 112.69 2eki n GLU 52 Ca -0.04 -0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.07 2eki n GLU 52 Cb 0.51 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 2eki n GLU 52 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2eki s PHE 53 N -2.83 1.85 -0.24 -0.32 2.19 0.25 -0.96 117.98 117.92 2eki s PHE 53 Ca 0.15 -0.01 -0.14 0.00 0.33 0.00 0.00 56.93 57.26 2eki s PHE 53 Cb 0.18 -4.05 -0.10 0.00 -1.31 0.00 0.00 43.02 37.74 2eki s PHE 53 CO 0.67 -4.48 -0.34 1.17 1.83 0.00 0.00 175.22 174.07 2eki n LYS 54 N 6.85 0.55 -3.70 10.12 4.81 -0.36 -4.87 118.16 131.56 2eki n LYS 54 Ca 0.18 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.77 2eki n LYS 54 Cb 0.41 -1.43 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.58 -0.30 -0.05 5.64 1.13 -1.25 -4.88 117.35 115.06 2eki s TYR 55 Ca -0.35 -0.06 0.02 0.00 -1.41 0.00 0.00 57.07 55.27 2eki s TYR 55 Cb 0.12 0.65 0.01 0.00 -1.10 0.00 0.00 41.96 41.64 2eki s TYR 55 CO 0.46 -1.05 -0.10 0.00 -2.51 0.00 0.00 175.55 172.34 2eki s ALA 56 N -3.77 1.07 -0.37 9.51 0.00 -0.56 -2.21 121.76 125.43 2eki s ALA 56 Ca 0.08 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 2eki s ALA 56 Cb -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.59 2eki s ALA 56 CO -0.00 0.09 0.43 -0.51 0.00 0.00 0.00 175.76 175.77 2eki s LEU 57 N 0.65 4.55 0.07 0.00 1.43 -1.07 -1.44 118.68 122.87 2eki s LEU 57 Ca -0.12 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2eki s LEU 57 Cb -0.15 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2eki s LEU 57 CO 0.02 -0.47 0.25 -0.69 0.23 0.00 0.00 176.35 175.70 2eki s VAL 58 N 2.18 5.33 -0.41 -1.59 1.01 -1.21 -2.00 120.40 123.70 2eki s VAL 58 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2eki s VAL 58 Cb -0.16 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.74 2eki s VAL 58 CO 0.13 0.15 0.22 0.26 0.00 0.00 0.00 175.10 175.86 2eki s TRP 59 N -1.51 1.74 -1.69 5.22 0.51 -0.84 -3.42 118.94 118.94 2eki s TRP 59 Ca 0.35 -2.23 0.00 0.00 -2.12 0.00 0.00 56.10 52.10 2eki s TRP 59 Cb -0.13 -1.71 0.00 0.00 -0.81 0.00 0.00 33.47 30.83 2eki s TRP 59 CO 0.25 -0.80 0.00 0.41 -0.51 0.00 0.00 176.95 176.31 2eki n GLY 60 N 3.73 -0.70 0.14 0.98 0.00 -1.26 -4.02 105.19 104.06 2eki n GLY 60 Ca 0.08 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.11 0.99 3.38 -1.96 -3.28 115.31 113.33 2eki h LEU 61 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2eki h LEU 61 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2eki h LEU 61 CO 0.00 0.49 0.64 -1.28 0.09 0.00 0.00 178.44 178.38 2eki h SER 62 N 0.00 0.00 -3.99 -0.43 0.87 -1.96 -3.41 113.55 104.64 2eki h SER 62 Ca -0.02 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.19 2eki h SER 62 Cb 1.39 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.27 2eki h SER 62 CO 0.06 0.00 -0.29 1.33 -0.53 0.00 0.00 176.83 177.40 2eki n VAL 63 N -2.74 0.00 -0.07 2.23 0.24 -1.24 -5.07 118.33 111.68 2eki n VAL 63 Ca -0.00 -1.50 -0.08 0.00 -2.04 0.00 0.00 64.34 60.71 2eki n VAL 63 Cb 0.67 0.55 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 2eki n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2eki n LYS 64 N -0.57 0.44 -3.93 7.34 4.76 -1.26 -4.91 118.16 120.03 2eki n LYS 64 Ca -0.03 0.18 -0.35 0.00 -2.87 0.00 0.00 58.31 55.24 2eki n LYS 64 Cb 0.39 -1.27 -0.14 0.00 -1.84 0.00 0.00 35.03 32.16 2eki n LYS 64 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2eki s HIS 65 N -2.74 2.95 0.09 2.13 3.76 -1.26 -5.07 115.29 115.15 2eki s HIS 65 Ca -0.25 -1.04 0.06 0.00 -0.15 0.00 0.00 55.06 53.68 2eki s HIS 65 Cb 0.04 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 2eki s HIS 65 CO 0.36 -0.59 -0.05 -0.80 -0.85 0.00 0.00 174.74 172.82 2eki s ASN 66 N 1.45 4.73 0.09 1.40 0.01 -1.26 -2.59 114.94 118.78 2eki s ASN 66 Ca 0.05 -0.27 -0.31 0.00 -0.71 0.00 0.00 52.86 51.63 2eki s ASN 66 Cb -0.14 -1.04 -0.07 0.00 0.41 0.00 0.00 41.25 40.41 2eki s ASN 66 CO -0.04 0.18 1.37 -2.16 -1.51 0.00 0.00 177.10 174.94 2eki s PRO 67 N -2.22 4.33 0.29 -0.60 0.04 -1.26 -5.14 135.00 130.44 2eki s PRO 67 Ca 0.23 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.34 2eki s PRO 67 Cb -0.11 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2eki s PRO 67 CO 0.16 -0.44 0.43 -1.14 0.04 0.00 0.00 177.00 176.05 2eki s GLN 68 N 1.31 3.41 -0.28 4.56 -0.44 -1.07 -4.99 119.66 122.17 2eki s GLN 68 Ca 0.64 -0.65 -0.04 0.00 -2.50 0.00 0.00 55.36 52.81 2eki s GLN 68 Cb -0.35 -2.81 0.02 0.00 -1.64 0.00 0.00 33.01 28.23 2eki s GLN 68 CO 0.30 0.29 0.01 0.21 0.50 0.00 0.00 175.29 176.60 2eki s LYS 69 N -4.11 2.86 0.31 1.67 2.20 -1.26 -3.32 119.74 118.09 2eki s LYS 69 Ca 0.37 -0.99 0.10 0.00 -0.36 0.00 0.00 55.97 55.09 2eki s LYS 69 Cb -0.09 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.99 2eki s LYS 69 CO 0.32 -0.46 -0.03 0.14 -0.36 0.00 0.00 175.35 174.95 2eki s VAL 70 N 1.39 2.82 0.00 4.02 -7.23 -0.52 -4.96 120.40 115.91 2eki s VAL 70 Ca 0.00 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2eki s VAL 70 Cb -0.17 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2eki s VAL 70 CO -0.01 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2eki n GLY 71 N -0.88 2.44 0.22 2.32 0.00 -1.26 -1.49 105.19 106.54 2eki n GLY 71 Ca -0.05 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.11 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 0.94 -0.27 1.61 2.85 -1.26 -3.46 118.16 118.56 2eki n LYS 72 Ca 0.00 -0.45 0.10 0.00 -1.05 0.00 0.00 58.31 56.91 2eki n LYS 72 Cb 0.00 -1.49 0.24 0.00 -0.65 0.00 0.00 35.03 33.13 2eki n LYS 72 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2eki n ASP 73 N -0.64 3.49 -4.71 -5.58 5.68 -1.26 -3.49 116.55 110.05 2eki n ASP 73 Ca 0.15 -1.98 -0.40 0.00 -0.50 0.00 0.00 54.79 52.07 2eki n ASP 73 Cb 0.31 -0.36 -0.05 0.00 -1.14 0.00 0.00 41.12 39.89 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2eki s HIS 74 N -1.07 3.54 -0.09 2.11 2.46 -1.22 -4.96 115.29 116.06 2eki s HIS 74 Ca 0.38 1.18 -0.30 0.00 0.47 0.00 0.00 55.06 56.80 2eki s HIS 74 Cb 0.20 -2.80 -0.02 0.00 -0.13 0.00 0.00 32.58 29.84 2eki s HIS 74 CO 0.27 0.04 1.04 0.99 -2.47 0.00 0.00 174.74 174.61 2eki s THR 75 N 0.99 4.69 0.66 0.89 2.01 -1.26 -1.68 115.64 121.95 2eki s THR 75 Ca 0.36 1.97 -0.12 0.00 0.31 0.00 0.00 61.69 64.20 2eki s THR 75 Cb -0.17 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 2eki s THR 75 CO 0.16 0.01 1.06 -0.76 -0.69 0.00 0.00 174.62 174.40 2eki s LEU 76 N 1.97 3.24 0.10 4.42 1.43 -1.26 -4.94 118.68 123.65 2eki s LEU 76 Ca 0.50 1.66 0.06 0.00 -1.03 0.00 0.00 54.13 55.32 2eki s LEU 76 Cb -0.20 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.49 2eki s LEU 76 CO 0.19 -1.33 -0.16 -1.61 0.23 0.00 0.00 176.35 173.67 2eki s GLU 77 N -4.79 1.01 0.53 1.70 0.41 -1.26 -4.88 118.70 111.42 2eki s GLU 77 Ca 0.59 -1.14 -0.22 0.00 -0.41 0.00 0.00 54.97 53.79 2eki s GLU 77 Cb -0.14 -1.05 -0.05 0.00 -1.78 0.00 0.00 34.13 31.11 2eki s GLU 77 CO 0.50 0.23 1.31 0.16 -0.49 0.00 0.00 175.26 176.96 2eki s ASP 78 N -2.10 5.46 -1.29 -0.19 1.47 -1.26 -3.07 116.67 115.69 2eki s ASP 78 Ca 0.05 2.64 -0.05 0.00 1.18 0.00 0.00 52.55 56.37 2eki s ASP 78 Cb -0.08 -2.63 0.01 0.00 -0.34 0.00 0.00 42.92 39.88 2eki s ASP 78 CO 0.03 -1.43 1.11 -0.62 0.68 0.00 0.00 175.17 174.94 2eki n GLU 79 N -0.95 -7.40 -4.39 2.11 1.02 -0.22 -4.87 120.64 105.94 2eki n GLU 79 Ca 0.10 0.84 -0.20 0.00 -0.02 0.00 0.00 57.16 57.88 2eki n GLU 79 Cb 0.46 -5.88 -0.14 0.00 -0.02 0.00 0.00 31.44 25.87 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 -3.76 1.49 -0.21 1.62 1.11 -1.17 -4.95 116.67 110.78 2eki s ASP 80 Ca 0.34 -0.36 -0.10 0.00 0.18 0.00 0.00 52.55 52.61 2eki s ASP 80 Cb -0.15 -0.11 -0.05 0.00 1.07 0.00 0.00 42.92 43.68 2eki s ASP 80 CO 0.73 0.06 0.13 -0.69 1.18 0.00 0.00 175.17 176.58 2eki s VAL 81 N -0.65 5.34 -0.05 -1.27 1.01 -1.26 -0.16 120.40 123.36 2eki s VAL 81 Ca 0.02 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2eki s VAL 81 Cb -0.07 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 2eki s VAL 81 CO 0.01 0.41 -0.19 -0.51 0.00 0.00 0.00 175.10 174.82 2eki s ILE 82 N 0.57 1.55 -0.32 2.22 2.07 0.08 -1.99 121.20 125.38 2eki s ILE 82 Ca 0.07 -0.78 -0.02 0.00 -1.41 0.00 0.00 60.65 58.52 2eki s ILE 82 Cb -0.12 -1.33 0.06 0.00 0.13 0.00 0.00 42.46 41.20 2eki s ILE 82 CO 0.00 0.44 0.03 -1.58 -1.91 0.00 0.00 174.94 171.92 2eki s GLN 83 N 0.04 2.33 -0.08 3.50 2.00 -0.85 -0.75 119.66 125.84 2eki s GLN 83 Ca -0.05 -1.37 -0.30 0.00 -2.00 0.00 0.00 55.36 51.64 2eki s GLN 83 Cb -0.12 -3.23 -0.02 0.00 0.80 0.00 0.00 33.01 30.43 2eki s GLN 83 CO 0.03 -0.70 1.15 0.42 -0.50 0.00 0.00 175.29 175.69 2eki s ILE 84 N 1.22 4.40 -0.11 -2.34 -1.09 -1.26 -2.59 121.20 119.42 2eki s ILE 84 Ca -0.03 1.71 -0.01 0.00 -2.23 0.00 0.00 60.65 60.09 2eki s ILE 84 Cb -0.20 -4.10 -0.02 0.00 -1.58 0.00 0.00 42.46 36.56 2eki s ILE 84 CO -0.02 -0.02 -0.08 -0.69 -1.23 0.00 0.00 174.94 172.90 2eki s VAL 85 N 2.31 3.56 -0.18 2.92 1.01 -0.94 -4.83 120.40 124.25 2eki s VAL 85 Ca 0.53 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 2eki s VAL 85 Cb -0.22 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2eki s VAL 85 CO 0.20 0.54 0.08 -0.54 0.00 0.00 0.00 175.10 175.38 2eki s LYS 86 N -0.07 3.98 0.99 2.72 1.02 -1.26 -1.22 119.74 125.90 2eki s LYS 86 Ca -0.00 -0.30 -0.16 0.00 0.02 0.00 0.00 55.97 55.53 2eki s LYS 86 Cb -0.13 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2eki s LYS 86 CO 0.03 0.32 -0.22 1.63 -0.92 0.00 0.00 175.35 176.20 2eki n LYS 87 N 3.40 -0.27 -3.59 1.68 5.02 -0.13 -4.91 118.16 119.36 2eki n LYS 87 Ca -0.17 -0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 55.91 2eki n LYS 87 Cb 0.52 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.94 2eki n LYS 87 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2eki s SER 88 N -1.55 0.73 0.00 4.39 1.04 -1.26 -5.07 113.70 111.98 2eki s SER 88 Ca 0.49 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2eki s SER 88 Cb -0.17 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2eki s SER 88 CO 0.73 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.29 2eki n GLY 89 N 5.34 2.47 3.77 7.32 0.00 -1.26 -5.06 105.19 117.77 2eki n GLY 89 Ca -0.06 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 2eki n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eki s PRO 90 N -2.30 3.44 -0.05 1.61 0.04 -1.26 -5.05 135.00 131.43 2eki s PRO 90 Ca 0.00 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 2eki s PRO 90 Cb 0.00 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2eki s PRO 90 CO 0.00 -0.78 0.05 -1.12 0.04 0.00 0.00 177.00 175.19 2eki s SER 91 N -1.69 1.27 -0.13 6.66 0.01 -1.26 -5.12 113.70 113.43 2eki s SER 91 Ca 0.71 0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 2eki s SER 91 Cb -0.25 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 65.84 2eki s SER 91 CO 0.28 -0.25 0.02 -0.55 0.41 0.00 0.00 173.24 173.15 2eki s SER 92 N 2.14 2.21 0.00 2.44 0.15 -1.26 -5.29 113.70 114.09 2eki s SER 92 Ca 0.05 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2eki s SER 92 Cb -0.12 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 2eki s SER 92 CO -0.04 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.77