#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki s SER 2 N 0.00 0.17 0.55 1.61 1.04 -1.26 -5.15 113.70 110.67 2eki s SER 2 Ca 0.00 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 55.87 2eki s SER 2 Cb 0.00 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.19 2eki s SER 2 CO 0.00 -0.30 1.03 -0.55 0.98 0.00 0.00 173.24 174.40 2eki s SER 3 N -1.36 6.11 0.22 7.02 0.15 -1.26 -5.06 113.70 119.53 2eki s SER 3 Ca -0.15 1.76 -0.05 0.00 0.70 0.00 0.00 55.95 58.21 2eki s SER 3 Cb -0.09 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2eki s SER 3 CO -0.00 -0.94 0.38 0.61 1.20 0.00 0.00 173.24 174.49 2eki n GLY 4 N -1.04 1.93 3.25 9.45 0.00 -1.26 -5.17 105.19 112.34 2eki n GLY 4 Ca 0.08 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 2eki n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eki s SER 5 N -2.24 2.54 -0.50 1.61 0.15 -1.26 -5.07 113.70 108.92 2eki s SER 5 Ca 0.13 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.40 2eki s SER 5 Cb -0.02 -0.25 0.29 0.00 -1.71 0.00 0.00 66.02 64.33 2eki s SER 5 CO 0.09 0.22 0.74 -0.24 1.20 0.00 0.00 173.24 175.25 2eki n SER 6 N 2.22 2.40 0.00 5.45 2.88 -1.26 -4.78 113.62 120.53 2eki n SER 6 Ca -0.16 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.16 2eki n SER 6 Cb 0.53 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2eki n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eki n GLY 7 N 0.60 0.44 0.83 0.46 0.00 -1.26 -4.94 105.19 101.33 2eki n GLY 7 Ca 0.27 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.02 0.39 -1.63 1.61 0.18 -1.26 -4.85 117.16 111.59 2eki n TYR 8 Ca 0.00 -0.20 -0.15 0.00 1.88 0.00 0.00 57.90 59.43 2eki n TYR 8 Cb 0.00 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 38.89 2eki n TYR 8 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 2eki s LEU 9 N -1.44 2.82 0.60 -3.48 1.98 -1.26 -4.91 118.68 113.00 2eki s LEU 9 Ca 0.34 -0.18 -0.04 0.00 -2.89 0.00 0.00 54.13 51.37 2eki s LEU 9 Cb 0.19 -2.56 0.03 0.00 0.66 0.00 0.00 46.19 44.51 2eki s LEU 9 CO 0.27 -3.89 0.87 -0.75 -1.89 0.00 0.00 176.35 170.97 2eki s LYS 10 N 8.64 2.63 -0.08 1.98 2.20 -1.26 -4.92 119.74 128.93 2eki s LYS 10 Ca 0.89 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 56.18 2eki s LYS 10 Cb -0.11 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.90 2eki s LYS 10 CO 0.08 -0.81 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.68 2eki s LEU 11 N -4.96 1.29 -0.13 5.43 1.43 -1.26 -1.01 118.68 119.47 2eki s LEU 11 Ca 0.56 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2eki s LEU 11 Cb -0.10 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 2eki s LEU 11 CO 0.42 -0.07 -0.16 0.68 0.23 0.00 0.00 176.35 177.46 2eki s VAL 12 N 1.25 2.72 -0.23 -1.59 -7.23 -1.13 -4.93 120.40 109.25 2eki s VAL 12 Ca -0.04 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.24 2eki s VAL 12 Cb -0.14 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2eki s VAL 12 CO -0.02 0.53 0.22 -0.13 -0.31 0.00 0.00 175.10 175.39 2eki s ARG 13 N 0.48 4.09 -0.12 4.82 0.52 -1.26 -1.70 118.95 125.77 2eki s ARG 13 Ca -0.11 -0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 54.94 2eki s ARG 13 Cb -0.16 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 2eki s ARG 13 CO 0.05 0.02 -0.10 0.42 0.02 0.00 0.00 175.30 175.71 2eki s ILE 14 N 1.17 3.33 -0.60 1.52 -1.09 -0.41 0.68 121.20 125.81 2eki s ILE 14 Ca 0.10 -0.57 -0.18 0.00 -2.23 0.00 0.00 60.65 57.77 2eki s ILE 14 Cb -0.14 -2.40 0.11 0.00 -1.58 0.00 0.00 42.46 38.45 2eki s ILE 14 CO 0.06 0.53 0.67 -0.31 -1.23 0.00 0.00 174.94 174.66 2eki s TYR 15 N 0.10 3.08 0.25 3.97 2.02 0.45 -0.26 117.35 126.97 2eki s TYR 15 Ca -0.04 -1.08 -0.30 0.00 -0.37 0.00 0.00 57.07 55.28 2eki s TYR 15 Cb -0.14 -3.97 -0.10 0.00 -0.40 0.00 0.00 41.96 37.35 2eki s TYR 15 CO 0.04 -1.23 1.39 -0.08 -1.57 0.00 0.00 175.55 174.11 2eki s THR 16 N 2.35 2.77 -0.27 -0.71 -1.32 -1.26 -2.50 115.64 114.69 2eki s THR 16 Ca 0.10 0.66 -0.09 0.00 -1.21 0.00 0.00 61.69 61.15 2eki s THR 16 Cb -0.25 -3.42 -0.03 0.00 -1.51 0.00 0.00 72.50 67.29 2eki s THR 16 CO 0.05 0.11 0.12 -0.75 -2.21 0.00 0.00 174.62 171.94 2eki s LYS 17 N -0.56 3.71 0.87 7.08 2.20 -0.17 -3.28 119.74 129.58 2eki s LYS 17 Ca 0.57 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.61 2eki s LYS 17 Cb -0.41 -3.47 0.11 0.00 -1.51 0.00 0.00 37.83 32.56 2eki s LYS 17 CO 0.44 -0.22 1.09 -1.25 -0.36 0.00 0.00 175.35 175.05 2eki s PRO 18 N 1.66 1.46 -0.55 4.03 0.04 -1.26 -4.52 135.00 135.86 2eki s PRO 18 Ca 0.06 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 2eki s PRO 18 Cb -0.16 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2eki s PRO 18 CO 0.06 -2.12 0.98 -1.59 0.04 0.00 0.00 177.00 174.37 2eki s LYS 19 N -4.93 3.37 0.00 4.56 -2.85 -1.26 -3.84 119.74 114.79 2eki s LYS 19 Ca 0.63 -0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.44 2eki s LYS 19 Cb -0.18 -4.04 0.00 0.00 -2.06 0.00 0.00 37.83 31.55 2eki s LYS 19 CO 0.57 -1.51 0.00 0.41 0.10 0.00 0.00 175.35 174.92 2eki n GLY 20 N 5.10 2.92 2.24 0.59 0.00 -1.26 -5.02 105.19 109.76 2eki n GLY 20 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2eki n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eki n GLN 21 N -0.03 0.76 -3.58 1.61 6.02 -1.25 -5.12 117.38 115.79 2eki n GLN 21 Ca 0.00 -1.78 -0.29 0.00 -0.01 0.00 0.00 57.00 54.92 2eki n GLN 21 Cb 0.00 -0.14 -0.03 0.00 1.02 0.00 0.00 30.24 31.08 2eki n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2eki s LEU 22 N 0.00 4.19 0.22 1.08 1.43 -1.26 -4.37 118.68 119.97 2eki s LEU 22 Ca 0.35 0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 2eki s LEU 22 Cb -0.03 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 2eki s LEU 22 CO 0.22 -0.07 1.29 -2.16 0.23 0.00 0.00 176.35 175.86 2eki s PRO 23 N -3.24 4.41 -0.28 1.29 0.04 -1.26 -4.35 135.00 131.61 2eki s PRO 23 Ca 0.41 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 2eki s PRO 23 Cb -0.11 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 2eki s PRO 23 CO 0.28 -0.20 1.33 0.16 0.04 0.00 0.00 177.00 178.61 2eki s ASP 24 N 0.11 6.67 0.00 6.66 1.47 -1.21 -4.87 116.67 125.51 2eki s ASP 24 Ca 0.54 1.31 0.22 0.00 1.18 0.00 0.00 52.55 55.80 2eki s ASP 24 Cb -0.36 -2.54 0.51 0.00 -0.34 0.00 0.00 42.92 40.19 2eki s ASP 24 CO 0.41 -1.06 1.44 -1.22 0.68 0.00 0.00 175.17 175.41 2eki n TYR 25 N 7.60 0.44 -0.02 2.11 4.01 -1.26 -4.10 117.16 125.93 2eki n TYR 25 Ca 0.15 -0.22 -0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2eki n TYR 25 Cb 0.46 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.15 0.31 -2.74 -0.72 5.66 -1.26 -4.71 114.28 111.97 2eki n THR 26 Ca 0.18 -0.28 -0.27 0.00 -3.05 0.00 0.00 64.05 60.63 2eki n THR 26 Cb 0.52 -0.31 -0.02 0.00 -1.55 0.00 0.00 70.33 68.97 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 -2.08 4.56 -4.76 1.09 2.88 -1.26 -5.08 113.62 108.98 2eki n SER 27 Ca -0.08 -3.70 -0.31 0.00 -1.33 0.00 0.00 58.87 53.46 2eki n SER 27 Cb 0.53 -0.52 0.10 0.00 -0.75 0.00 0.00 64.21 63.57 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 -3.50 2.01 -0.49 -1.46 0.04 -1.26 -4.89 135.00 125.45 2eki s PRO 28 Ca 0.48 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 2eki s PRO 28 Cb 0.33 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 33.10 2eki s PRO 28 CO -0.16 -1.79 0.40 0.54 0.04 0.00 0.00 177.00 176.03 2eki s VAL 29 N -2.91 4.80 -0.51 -0.36 0.11 0.64 -4.87 120.40 117.30 2eki s VAL 29 Ca 0.62 -1.46 -0.22 0.00 -2.93 0.00 0.00 61.98 57.99 2eki s VAL 29 Cb -0.17 -4.03 0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2eki s VAL 29 CO 0.56 -0.72 0.76 0.54 -3.33 0.00 0.00 175.10 172.91 2eki s VAL 30 N 1.52 4.67 0.13 2.04 0.11 -1.26 -1.28 120.40 126.33 2eki s VAL 30 Ca 0.04 -0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 2eki s VAL 30 Cb -0.27 -4.38 -0.04 0.00 -1.53 0.00 0.00 36.38 30.16 2eki s VAL 30 CO 0.03 -0.89 0.31 -0.76 -3.33 0.00 0.00 175.10 170.46 2eki s LEU 31 N 3.21 4.30 -0.01 2.54 1.43 -0.69 -4.91 118.68 124.55 2eki s LEU 31 Ca 0.23 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 2eki s LEU 31 Cb -0.15 -3.07 -0.06 0.00 0.03 0.00 0.00 46.19 42.94 2eki s LEU 31 CO 0.17 0.06 1.46 -2.16 0.23 0.00 0.00 176.35 176.10 2eki s PRO 32 N -2.92 4.26 0.05 1.29 0.04 -1.25 -2.84 135.00 133.62 2eki s PRO 32 Ca 0.37 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.33 2eki s PRO 32 Cb -0.12 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 2eki s PRO 32 CO 0.28 -0.64 0.95 0.98 0.04 0.00 0.00 177.00 178.60 2eki n TYR 33 N 5.71 -0.14 -0.23 0.56 9.36 -0.18 0.14 117.16 132.37 2eki n TYR 33 Ca 0.14 0.40 0.23 0.00 3.32 0.00 0.00 57.90 61.99 2eki n TYR 33 Cb 0.43 -0.46 0.42 0.00 -0.63 0.00 0.00 39.34 39.10 2eki n TYR 33 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2eki n SER 34 N -3.69 0.24 -3.91 2.98 7.64 -1.26 -2.13 113.62 113.49 2eki n SER 34 Ca 0.01 1.19 -0.29 0.00 1.01 0.00 0.00 58.87 60.78 2eki n SER 34 Cb 0.08 -0.58 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eki s ARG 35 N -5.10 2.02 -0.20 1.43 3.00 0.36 -5.04 118.95 115.42 2eki s ARG 35 Ca -0.07 -2.74 -0.04 0.00 0.00 0.00 0.00 55.73 52.89 2eki s ARG 35 Cb 0.24 -3.23 0.07 0.00 0.00 0.00 0.00 34.95 32.02 2eki s ARG 35 CO 0.56 -1.16 0.07 0.95 0.00 0.00 0.00 175.30 175.71 2eki s THR 36 N -0.52 0.29 -0.11 0.02 -4.23 -0.91 -3.94 115.64 106.25 2eki s THR 36 Ca 0.19 -0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 59.90 2eki s THR 36 Cb -0.20 -0.92 0.10 0.00 1.34 0.00 0.00 72.50 72.82 2eki s THR 36 CO -0.04 -0.31 0.86 0.42 -0.54 0.00 0.00 174.62 175.01 2eki s THR 37 N 1.96 0.00 0.37 3.99 -4.23 -1.26 -4.04 115.64 112.43 2eki s THR 37 Ca 0.02 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.70 2eki s THR 37 Cb -0.17 -1.00 0.37 0.00 1.34 0.00 0.00 72.50 73.05 2eki s THR 37 CO -0.12 0.00 1.71 0.58 -0.54 0.00 0.00 174.62 176.25 2eki h VAL 38 N 2.71 0.41 -0.23 2.29 2.07 -1.57 0.60 116.25 122.53 2eki h VAL 38 Ca -0.22 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 2eki h VAL 38 Cb 1.16 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2eki h VAL 38 CO 0.34 0.07 -0.47 1.05 0.02 0.00 0.00 177.57 178.58 2eki h GLU 39 N 0.37 0.59 -0.01 1.57 4.11 -1.82 -2.29 114.58 117.10 2eki h GLU 39 Ca 0.67 -0.34 -0.10 0.00 0.07 0.00 0.00 59.36 59.66 2eki h GLU 39 Cb 1.65 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 2eki h GLU 39 CO -0.43 0.94 -0.49 -0.44 0.07 0.00 0.00 179.01 178.66 2eki h ASP 40 N 0.47 0.02 0.15 3.06 3.32 -0.20 -3.03 116.42 120.21 2eki h ASP 40 Ca 0.03 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.83 2eki h ASP 40 Cb 1.00 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.56 2eki h ASP 40 CO 0.09 0.51 -0.95 0.15 -1.72 0.00 0.00 179.24 177.32 2eki h PHE 41 N 0.01 0.83 -0.37 4.55 3.04 -0.90 -3.19 116.94 120.91 2eki h PHE 41 Ca -0.00 -0.43 0.01 0.00 3.98 0.00 0.00 57.97 61.53 2eki h PHE 41 Cb 0.87 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.26 2eki h PHE 41 CO 0.00 1.26 0.24 0.00 -2.02 0.00 0.00 178.31 177.79 2eki h MET 43 N 0.45 0.70 -0.99 0.00 2.86 -1.53 -1.12 114.93 115.31 2eki h MET 43 Ca 0.14 -0.16 0.33 0.00 -2.06 0.00 0.00 59.70 57.95 2eki h MET 43 Cb 0.01 -0.10 -0.16 0.00 0.06 0.00 0.00 31.60 31.42 2eki h MET 43 CO -0.03 0.69 0.49 0.87 1.06 0.00 0.00 176.91 179.99 2eki h LYS 44 N 0.58 0.21 0.00 1.72 1.79 -1.44 -2.30 116.57 117.12 2eki h LYS 44 Ca 0.14 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2eki h LYS 44 Cb 0.30 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2eki h LYS 44 CO -0.00 0.14 -0.41 0.82 -1.08 0.00 0.00 179.45 178.92 2eki h ILE 45 N 0.21 0.42 -3.16 1.86 1.08 -1.58 -3.50 117.51 112.85 2eki h ILE 45 Ca 0.73 -1.40 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 2eki h ILE 45 Cb 1.72 0.88 -0.14 0.00 -3.07 0.00 0.00 36.82 36.21 2eki h ILE 45 CO -0.67 0.14 -0.04 -2.28 -0.69 0.00 0.00 178.15 174.61 2eki s HIS 46 N -2.04 -0.29 -0.07 1.37 2.46 -0.45 -5.08 115.29 111.19 2eki s HIS 46 Ca -0.13 0.11 -0.01 0.00 0.47 0.00 0.00 55.06 55.51 2eki s HIS 46 Cb 0.01 0.29 -0.00 0.00 -0.13 0.00 0.00 32.58 32.75 2eki s HIS 46 CO 0.28 -0.67 0.03 0.87 -2.47 0.00 0.00 174.74 172.78 2eki h LYS 47 N 2.57 -0.02 0.00 2.88 1.79 -1.79 -3.21 116.57 118.79 2eki h LYS 47 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2eki h LYS 47 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2eki h LYS 47 CO 0.44 -0.01 0.32 -0.97 -1.08 0.00 0.00 179.45 178.14 2eki h ASN 48 N -0.76 0.00 -0.33 0.86 -1.24 -1.97 -2.36 115.58 109.79 2eki h ASN 48 Ca -0.00 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.08 2eki h ASN 48 Cb 0.02 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 38.98 2eki h ASN 48 CO 0.00 0.00 -0.34 0.25 -1.29 0.00 0.00 177.43 176.05 2eki h LEU 49 N 0.00 -1.12 -1.48 0.34 5.85 -1.87 0.35 115.31 117.39 2eki h LEU 49 Ca 0.00 0.18 0.19 0.00 0.84 0.00 0.00 57.88 59.10 2eki h LEU 49 Cb 0.63 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2eki h LEU 49 CO 0.00 -0.34 0.82 -0.29 -0.34 0.00 0.00 178.44 178.29 2eki h ILE 50 N -0.30 0.16 0.04 4.05 6.09 -1.63 1.07 117.51 126.98 2eki h ILE 50 Ca 0.15 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.38 2eki h ILE 50 Cb 0.55 0.32 0.01 0.00 0.47 0.00 0.00 36.82 38.18 2eki h ILE 50 CO -0.50 0.00 -1.06 0.11 -3.07 0.00 0.00 178.15 173.63 2eki h LYS 51 N 0.00 0.50 0.00 2.19 1.57 -0.49 -3.24 116.57 117.10 2eki h LYS 51 Ca 0.32 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2eki h LYS 51 Cb 1.96 0.18 0.00 0.00 0.08 0.00 0.00 32.23 34.45 2eki h LYS 51 CO -0.00 1.22 -0.65 0.93 -0.57 0.00 0.00 179.45 180.38 2eki h GLU 52 N 0.25 0.00 -6.28 3.15 4.39 0.11 -3.46 114.58 112.75 2eki h GLU 52 Ca -0.12 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.03 2eki h GLU 52 Cb 1.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 2eki h GLU 52 CO 0.19 0.00 1.18 0.12 -1.16 0.00 0.00 179.01 179.34 2eki s PHE 53 N -3.17 1.66 -0.25 4.33 5.36 0.13 -0.81 117.98 125.23 2eki s PHE 53 Ca 0.06 0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 56.03 2eki s PHE 53 Cb 0.13 -4.05 -0.15 0.00 -0.34 0.00 0.00 43.02 38.61 2eki s PHE 53 CO 0.73 -4.42 -0.24 1.17 -1.46 0.00 0.00 175.22 170.99 2eki n LYS 54 N 7.48 0.61 -3.77 10.12 4.81 -0.42 -4.87 118.16 132.12 2eki n LYS 54 Ca 0.19 0.16 -0.04 0.00 -0.87 0.00 0.00 58.31 57.76 2eki n LYS 54 Cb 0.43 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 33.98 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 -2.49 -0.14 -0.04 5.64 1.13 -1.26 -4.88 117.35 115.30 2eki s TYR 55 Ca -0.34 -0.19 0.01 0.00 -1.41 0.00 0.00 57.07 55.14 2eki s TYR 55 Cb 0.10 0.65 0.02 0.00 -1.10 0.00 0.00 41.96 41.63 2eki s TYR 55 CO 0.55 -0.90 -0.06 0.00 -2.51 0.00 0.00 175.55 172.63 2eki s ALA 56 N -3.39 0.76 -0.85 9.51 0.00 -0.63 -2.41 121.76 124.75 2eki s ALA 56 Ca 0.12 -0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 2eki s ALA 56 Cb -0.02 -0.42 0.19 0.00 0.00 0.00 0.00 23.12 22.86 2eki s ALA 56 CO 0.03 0.03 0.88 -0.51 0.00 0.00 0.00 175.76 176.18 2eki s LEU 57 N 0.80 6.22 0.23 0.00 1.43 -1.17 -1.16 118.68 125.04 2eki s LEU 57 Ca -0.12 -2.47 -0.30 0.00 -1.03 0.00 0.00 54.13 50.21 2eki s LEU 57 Cb -0.14 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 2eki s LEU 57 CO 0.01 -0.73 1.10 -0.69 0.23 0.00 0.00 176.35 176.27 2eki s VAL 58 N 0.97 3.65 -0.45 -1.59 1.01 -1.03 -3.36 120.40 119.60 2eki s VAL 58 Ca 0.22 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.77 2eki s VAL 58 Cb -0.09 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.44 2eki s VAL 58 CO -0.09 0.32 0.23 0.26 0.00 0.00 0.00 175.10 175.82 2eki s TRP 59 N -0.72 2.29 0.00 5.22 0.51 -0.07 -3.26 118.94 122.91 2eki s TRP 59 Ca 0.47 -2.59 0.00 0.00 -2.12 0.00 0.00 56.10 51.86 2eki s TRP 59 Cb -0.31 -2.13 0.00 0.00 -0.81 0.00 0.00 33.47 30.23 2eki s TRP 59 CO 0.38 -0.78 0.00 0.41 -0.51 0.00 0.00 176.95 176.45 2eki n GLY 60 N 3.51 1.84 0.09 0.98 0.00 -1.26 -3.54 105.19 106.81 2eki n GLY 60 Ca 0.07 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 0.11 -1.94 0.99 3.38 -1.95 -3.34 115.31 112.56 2eki h LEU 61 Ca 0.00 -0.18 0.47 0.00 0.09 0.00 0.00 57.88 58.26 2eki h LEU 61 Cb 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 2eki h LEU 61 CO 0.00 1.16 1.15 0.77 0.09 0.00 0.00 178.44 181.61 2eki h SER 62 N 0.02 0.03 -3.56 -0.43 4.64 -1.96 -3.36 113.55 108.93 2eki h SER 62 Ca -0.23 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.43 2eki h SER 62 Cb 1.97 0.01 -0.26 0.00 -0.31 0.00 0.00 62.40 63.81 2eki h SER 62 CO 0.10 -0.01 -0.78 0.68 -0.87 0.00 0.00 176.83 175.95 2eki s VAL 63 N -4.94 2.96 0.09 0.95 -7.23 -1.25 -5.03 120.40 105.95 2eki s VAL 63 Ca -0.05 -0.71 -0.23 0.00 -1.81 0.00 0.00 61.98 59.17 2eki s VAL 63 Cb 0.26 -2.21 -0.14 0.00 0.56 0.00 0.00 36.38 34.85 2eki s VAL 63 CO 0.86 0.55 1.72 0.11 -0.31 0.00 0.00 175.10 178.03 2eki h LYS 64 N 6.29 -0.08 -6.48 4.82 1.57 -1.87 -3.44 116.57 117.38 2eki h LYS 64 Ca -0.31 0.01 -0.65 0.00 -1.87 0.00 0.00 60.65 57.82 2eki h LYS 64 Cb 1.20 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 2eki h LYS 64 CO 0.53 -0.05 -0.71 -1.01 -0.57 0.00 0.00 179.45 177.64 2eki s HIS 65 N -6.18 2.79 0.00 -1.35 3.76 -1.26 -5.07 115.29 107.98 2eki s HIS 65 Ca -0.13 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 54.55 2eki s HIS 65 Cb 0.06 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.33 2eki s HIS 65 CO 0.66 0.46 0.18 -0.80 -0.85 0.00 0.00 174.74 174.38 2eki s ASN 66 N -2.37 -0.02 0.47 1.40 -0.87 -1.26 -3.81 114.94 108.48 2eki s ASN 66 Ca 0.23 -0.16 -0.23 0.00 -1.57 0.00 0.00 52.86 51.14 2eki s ASN 66 Cb -0.11 0.23 -0.07 0.00 -0.02 0.00 0.00 41.25 41.28 2eki s ASN 66 CO 0.15 -0.40 1.16 -2.16 -2.57 0.00 0.00 177.10 173.28 2eki s PRO 67 N -1.44 3.72 -0.13 -0.60 0.04 -1.26 -5.15 135.00 130.18 2eki s PRO 67 Ca -0.14 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2eki s PRO 67 Cb -0.07 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2eki s PRO 67 CO 0.02 -0.58 -0.08 -1.14 0.04 0.00 0.00 177.00 175.26 2eki s GLN 68 N -2.76 3.40 -0.45 4.56 0.74 -1.20 -4.98 119.66 118.98 2eki s GLN 68 Ca 0.64 -0.60 -0.23 0.00 0.05 0.00 0.00 55.36 55.22 2eki s GLN 68 Cb -0.28 -2.74 0.03 0.00 1.10 0.00 0.00 33.01 31.12 2eki s GLN 68 CO 0.34 0.29 0.78 0.21 -0.55 0.00 0.00 175.29 176.36 2eki s LYS 69 N 0.18 3.41 0.39 1.67 2.20 -1.26 -2.48 119.74 123.85 2eki s LYS 69 Ca -0.05 -0.10 0.08 0.00 -0.36 0.00 0.00 55.97 55.54 2eki s LYS 69 Cb -0.14 -3.94 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 2eki s LYS 69 CO 0.04 -1.11 0.20 0.14 -0.36 0.00 0.00 175.35 174.26 2eki s VAL 70 N 3.28 2.57 0.00 4.02 -7.23 -0.31 -4.90 120.40 117.83 2eki s VAL 70 Ca 0.30 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2eki s VAL 70 Cb -0.12 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.83 2eki s VAL 70 CO 0.23 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 2eki n GLY 71 N -1.26 2.25 0.10 2.32 0.00 -1.26 -1.61 105.19 105.73 2eki n GLY 71 Ca -0.01 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 0.25 0.00 1.61 2.85 -1.26 -4.09 118.16 117.52 2eki n LYS 72 Ca 0.00 -0.20 0.11 0.00 -1.05 0.00 0.00 58.31 57.17 2eki n LYS 72 Cb 0.00 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.86 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 -1.20 0.76 -4.70 -5.58 5.68 -1.26 -2.87 116.55 107.37 2eki n ASP 73 Ca 0.05 -0.64 -0.42 0.00 -0.50 0.00 0.00 54.79 53.29 2eki n ASP 73 Cb 0.36 0.89 -0.03 0.00 -1.14 0.00 0.00 41.12 41.20 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 -3.07 2.74 0.18 2.11 2.46 -1.26 -4.86 115.29 113.58 2eki s HIS 74 Ca 0.07 0.51 -0.30 0.00 0.47 0.00 0.00 55.06 55.81 2eki s HIS 74 Cb 0.16 -3.91 -0.07 0.00 -0.13 0.00 0.00 32.58 28.63 2eki s HIS 74 CO 0.83 -3.49 1.05 0.99 -2.47 0.00 0.00 174.74 171.65 2eki s THR 75 N 1.99 4.02 0.40 0.89 2.01 -1.26 -2.10 115.64 121.58 2eki s THR 75 Ca 0.71 1.78 -0.11 0.00 0.31 0.00 0.00 61.69 64.38 2eki s THR 75 Cb -0.40 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 67.91 2eki s THR 75 CO 0.31 0.32 0.76 -0.76 -0.69 0.00 0.00 174.62 174.57 2eki s LEU 76 N -0.46 3.85 0.27 4.42 1.43 -1.26 -4.91 118.68 122.03 2eki s LEU 76 Ca 0.47 1.13 0.12 0.00 -1.03 0.00 0.00 54.13 54.82 2eki s LEU 76 Cb -0.28 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 41.89 2eki s LEU 76 CO 0.34 -0.38 -0.20 -1.61 0.23 0.00 0.00 176.35 174.72 2eki s GLU 77 N -3.79 1.66 0.50 1.70 0.41 -1.26 -4.88 118.70 113.04 2eki s GLU 77 Ca 0.51 -1.74 -0.22 0.00 -0.41 0.00 0.00 54.97 53.11 2eki s GLU 77 Cb -0.10 -1.78 -0.06 0.00 -1.78 0.00 0.00 34.13 30.41 2eki s GLU 77 CO 0.30 0.34 1.23 0.34 -0.49 0.00 0.00 175.26 176.98 2eki s ASP 78 N -3.40 5.79 -1.26 -0.19 -1.08 -1.26 -3.41 116.67 111.86 2eki s ASP 78 Ca 0.29 2.46 -0.03 0.00 -0.52 0.00 0.00 52.55 54.75 2eki s ASP 78 Cb -0.05 -2.61 -0.01 0.00 -1.46 0.00 0.00 42.92 38.79 2eki s ASP 78 CO 0.14 -1.19 0.74 -0.62 0.52 0.00 0.00 175.17 174.76 2eki n GLU 79 N -0.76 -4.31 -4.29 4.34 1.02 0.21 -4.86 120.64 112.00 2eki n GLU 79 Ca 0.09 0.63 -0.18 0.00 -0.02 0.00 0.00 57.16 57.68 2eki n GLU 79 Cb 0.47 -5.14 -0.14 0.00 -0.02 0.00 0.00 31.44 26.61 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 -4.18 1.07 -0.12 1.62 1.11 -1.18 -4.91 116.67 110.09 2eki s ASP 80 Ca 0.10 -0.26 -0.08 0.00 0.18 0.00 0.00 52.55 52.49 2eki s ASP 80 Cb -0.03 -0.09 -0.04 0.00 1.07 0.00 0.00 42.92 43.84 2eki s ASP 80 CO 0.81 0.05 0.15 -0.69 1.18 0.00 0.00 175.17 176.67 2eki s VAL 81 N -0.47 5.48 0.03 -1.27 1.01 -1.23 -0.41 120.40 123.53 2eki s VAL 81 Ca 0.01 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2eki s VAL 81 Cb -0.05 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2eki s VAL 81 CO 0.00 0.61 -0.09 -0.51 0.00 0.00 0.00 175.10 175.12 2eki s ILE 82 N -0.99 0.66 -0.27 2.22 2.07 -1.04 -0.89 121.20 122.96 2eki s ILE 82 Ca 0.15 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.61 2eki s ILE 82 Cb -0.12 -0.64 0.07 0.00 0.13 0.00 0.00 42.46 41.89 2eki s ILE 82 CO 0.04 -0.13 -0.08 -1.58 -1.91 0.00 0.00 174.94 171.28 2eki s GLN 83 N -1.03 2.05 -0.43 3.50 2.00 -1.21 -1.00 119.66 123.53 2eki s GLN 83 Ca -0.03 -1.36 -0.29 0.00 -2.00 0.00 0.00 55.36 51.68 2eki s GLN 83 Cb -0.07 -2.88 0.02 0.00 0.80 0.00 0.00 33.01 30.88 2eki s GLN 83 CO 0.00 -0.62 1.29 0.42 -0.50 0.00 0.00 175.29 175.89 2eki s ILE 84 N 1.12 4.04 -0.04 -2.34 -1.09 -1.26 -3.04 121.20 118.59 2eki s ILE 84 Ca -0.06 1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 59.31 2eki s ILE 84 Cb -0.20 -4.37 -0.05 0.00 -1.58 0.00 0.00 42.46 36.26 2eki s ILE 84 CO -0.06 -0.85 0.32 -0.69 -1.23 0.00 0.00 174.94 172.44 2eki s VAL 85 N 4.98 5.19 -0.16 2.92 1.01 -1.01 -5.01 120.40 128.31 2eki s VAL 85 Ca 0.56 0.63 -0.08 0.00 0.00 0.00 0.00 61.98 63.08 2eki s VAL 85 Cb -0.11 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2eki s VAL 85 CO 0.32 0.59 0.12 -0.54 0.00 0.00 0.00 175.10 175.59 2eki s LYS 86 N -1.08 3.85 -0.78 2.72 -0.14 -1.26 -1.31 119.74 121.75 2eki s LYS 86 Ca 0.21 -0.20 -0.33 0.00 -1.36 0.00 0.00 55.97 54.29 2eki s LYS 86 Cb -0.15 -3.30 -0.18 0.00 -1.68 0.00 0.00 37.83 32.52 2eki s LYS 86 CO 0.10 0.50 2.51 1.63 -0.76 0.00 0.00 175.35 179.34 2eki n LYS 87 N 2.88 0.25 -1.55 1.68 5.02 0.01 -4.71 118.16 121.74 2eki n LYS 87 Ca -0.18 0.03 -0.61 0.00 -2.02 0.00 0.00 58.31 55.53 2eki n LYS 87 Cb 0.53 -1.88 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 2eki n LYS 87 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2eki n SER 88 N 10.72 1.47 -3.61 4.39 7.64 -1.26 -4.91 113.62 128.06 2eki n SER 88 Ca 0.58 0.91 -0.13 0.00 1.01 0.00 0.00 58.87 61.24 2eki n SER 88 Cb 0.11 -1.00 -0.05 0.00 -1.01 0.00 0.00 64.21 62.26 2eki n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2eki s GLY 89 N 4.60 -0.35 0.06 0.23 0.00 -1.26 -5.02 107.32 105.57 2eki s GLY 89 Ca 1.09 0.39 0.16 0.00 0.00 0.00 0.00 44.72 46.36 2eki s GLY 89 CO 0.69 0.12 1.51 -1.55 0.00 0.00 0.00 173.10 173.87 2eki n PRO 90 N 0.33 0.05 -1.10 2.90 -0.04 -1.26 -4.88 135.00 130.99 2eki n PRO 90 Ca -0.18 0.30 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 2eki n PRO 90 Cb 0.61 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2eki n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2eki n SER 91 N -1.68 -2.08 -4.60 3.54 3.41 -1.26 -4.76 113.62 106.18 2eki n SER 91 Ca 0.03 0.74 -0.43 0.00 -0.26 0.00 0.00 58.87 58.95 2eki n SER 91 Cb 0.18 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 2eki n SER 91 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2eki s SER 92 N -0.84 6.35 0.00 4.04 0.15 -1.26 -5.23 113.70 116.91 2eki s SER 92 Ca 0.50 0.82 0.20 0.00 0.70 0.00 0.00 55.95 58.17 2eki s SER 92 Cb -0.59 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.33 2eki s SER 92 CO 0.51 -1.43 1.12 0.61 1.20 0.00 0.00 173.24 175.26