#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 6.27 0.36 1.61 1.04 -1.26 -4.97 113.70 116.75 2eki s SER 2 Ca 0.00 2.19 -0.12 0.00 0.48 0.00 0.00 55.95 58.50 2eki s SER 2 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.52 2eki s SER 2 CO 0.00 -1.26 0.75 -0.55 0.98 0.00 0.00 173.24 173.16 2eki s SER 3 N 4.96 6.63 0.00 7.02 0.15 -1.26 -5.08 113.70 126.12 2eki s SER 3 Ca 0.84 1.18 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2eki s SER 3 Cb -0.35 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2eki s SER 3 CO 0.35 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2eki n GLY 4 N -0.87 -2.46 3.81 9.45 0.00 -1.26 -4.93 105.19 108.93 2eki n GLY 4 Ca 0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 2eki n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eki s SER 5 N -1.80 5.37 -0.70 1.61 1.04 -1.26 -5.00 113.70 112.97 2eki s SER 5 Ca 0.00 1.70 -0.15 0.00 0.48 0.00 0.00 55.95 57.98 2eki s SER 5 Cb 0.00 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.78 2eki s SER 5 CO 0.00 -1.45 0.67 -0.94 0.98 0.00 0.00 173.24 172.50 2eki s SER 6 N -3.47 6.49 -1.07 7.02 1.04 -1.26 -4.69 113.70 117.77 2eki s SER 6 Ca 0.60 -2.23 -0.09 0.00 0.48 0.00 0.00 55.95 54.71 2eki s SER 6 Cb -0.15 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.76 2eki s SER 6 CO 0.50 -0.74 0.17 0.61 0.98 0.00 0.00 173.24 174.76 2eki n GLY 7 N 4.62 -0.26 0.91 7.32 0.00 -1.26 -4.78 105.19 111.73 2eki n GLY 7 Ca 0.01 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.79 0.23 -2.86 1.61 9.36 -1.26 -4.75 117.16 115.70 2eki n TYR 8 Ca -0.19 -0.12 -0.44 0.00 3.32 0.00 0.00 57.90 60.48 2eki n TYR 8 Cb 0.48 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.18 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 4.78 1.04 2.98 2.01 -1.26 -5.01 118.68 121.50 2eki s LEU 9 Ca 0.34 -2.41 -0.16 0.00 0.01 0.00 0.00 54.13 51.91 2eki s LEU 9 Cb 0.21 -2.43 0.07 0.00 0.01 0.00 0.00 46.19 44.04 2eki s LEU 9 CO 0.30 -0.99 0.16 1.17 1.01 0.00 0.00 176.35 178.01 2eki n LYS 10 N 6.59 -1.00 -5.19 1.70 4.81 -1.26 -4.82 118.16 118.99 2eki n LYS 10 Ca 0.32 -0.27 -0.32 0.00 -0.87 0.00 0.00 58.31 57.18 2eki n LYS 10 Cb 0.46 -1.76 -0.15 0.00 0.02 0.00 0.00 35.03 33.61 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 -1.04 2.25 -0.31 3.14 1.43 -1.26 -2.82 118.68 120.06 2eki s LEU 11 Ca 0.56 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2eki s LEU 11 Cb -0.16 -1.40 0.09 0.00 0.03 0.00 0.00 46.19 44.75 2eki s LEU 11 CO 0.67 0.33 0.06 -0.69 0.23 0.00 0.00 176.35 176.94 2eki s VAL 12 N -0.64 1.48 0.11 -1.59 1.01 -0.93 -4.73 120.40 115.12 2eki s VAL 12 Ca 0.10 -1.70 -0.24 0.00 0.00 0.00 0.00 61.98 60.14 2eki s VAL 12 Cb -0.10 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2eki s VAL 12 CO -0.00 -0.56 0.74 -0.13 0.00 0.00 0.00 175.10 175.15 2eki s ARG 13 N 1.33 4.49 -0.12 2.72 3.00 -1.26 -0.79 118.95 128.33 2eki s ARG 13 Ca 0.08 1.06 -0.00 0.00 0.00 0.00 0.00 55.73 56.87 2eki s ARG 13 Cb -0.18 -3.29 0.03 0.00 0.00 0.00 0.00 34.95 31.50 2eki s ARG 13 CO -0.16 0.48 -0.07 0.42 0.00 0.00 0.00 175.30 175.97 2eki s ILE 14 N -0.76 1.02 -0.64 1.52 -1.09 -0.54 -0.94 121.20 119.77 2eki s ILE 14 Ca 0.36 -0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 58.28 2eki s ILE 14 Cb -0.22 -1.05 0.10 0.00 -1.58 0.00 0.00 42.46 39.72 2eki s ILE 14 CO 0.24 0.36 0.80 -0.31 -1.23 0.00 0.00 174.94 174.80 2eki s TYR 15 N 1.71 2.96 0.58 3.97 2.02 0.05 -2.27 117.35 126.37 2eki s TYR 15 Ca 0.05 -0.94 -0.19 0.00 -0.37 0.00 0.00 57.07 55.61 2eki s TYR 15 Cb -0.13 -4.10 -0.05 0.00 -0.40 0.00 0.00 41.96 37.29 2eki s TYR 15 CO -0.08 -1.38 1.04 -2.37 -1.57 0.00 0.00 175.55 171.18 2eki n THR 16 N 5.57 3.69 -3.80 -0.71 5.66 -1.26 -2.14 114.28 121.30 2eki n THR 16 Ca -0.05 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.16 2eki n THR 16 Cb 0.44 -1.23 -0.14 0.00 -1.55 0.00 0.00 70.33 67.85 2eki n THR 16 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2eki s LYS 17 N -2.75 1.32 0.35 1.09 2.20 0.10 -3.55 119.74 118.50 2eki s LYS 17 Ca 0.75 -1.92 -0.27 0.00 -0.36 0.00 0.00 55.97 54.16 2eki s LYS 17 Cb -0.43 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.25 2eki s LYS 17 CO 0.48 -1.09 1.21 -1.25 -0.36 0.00 0.00 175.35 174.33 2eki s PRO 18 N 0.55 4.28 0.20 4.03 0.04 -1.26 -4.34 135.00 138.51 2eki s PRO 18 Ca 0.15 1.98 -0.32 0.00 0.04 0.00 0.00 61.00 62.86 2eki s PRO 18 Cb -0.23 -2.93 -0.11 0.00 0.04 0.00 0.00 34.50 31.27 2eki s PRO 18 CO -0.05 -0.17 1.66 -1.59 0.04 0.00 0.00 177.00 176.89 2eki s LYS 19 N -1.93 4.15 0.00 4.56 -2.85 -1.26 -2.56 119.74 119.85 2eki s LYS 19 Ca 0.51 2.53 0.00 0.00 -1.00 0.00 0.00 55.97 58.01 2eki s LYS 19 Cb -0.35 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 2eki s LYS 19 CO 0.45 -0.69 0.00 0.41 0.10 0.00 0.00 175.35 175.61 2eki n GLY 20 N 3.72 2.09 3.97 0.59 0.00 -1.26 -4.97 105.19 109.33 2eki n GLY 20 Ca 0.14 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 3.14 0.41 1.61 -0.21 -1.06 -5.10 119.66 118.45 2eki s GLN 21 Ca 0.00 -0.79 -0.13 0.00 0.02 0.00 0.00 55.36 54.46 2eki s GLN 21 Cb 0.00 -2.73 -0.07 0.00 1.00 0.00 0.00 33.01 31.21 2eki s GLN 21 CO 0.00 -0.02 0.81 -0.48 -2.12 0.00 0.00 175.29 173.48 2eki s LEU 22 N -4.30 3.84 -0.19 2.90 0.05 -1.26 -4.16 118.68 115.56 2eki s LEU 22 Ca 0.45 1.27 -0.29 0.00 0.05 0.00 0.00 54.13 55.61 2eki s LEU 22 Cb -0.10 -4.14 -0.03 0.00 -2.05 0.00 0.00 46.19 39.87 2eki s LEU 22 CO 0.33 -0.39 1.59 -2.16 -0.55 0.00 0.00 176.35 175.17 2eki s PRO 23 N -3.68 3.90 0.56 1.48 0.04 -1.26 -4.60 135.00 131.43 2eki s PRO 23 Ca 0.54 1.74 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 2eki s PRO 23 Cb -0.10 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 2eki s PRO 23 CO 0.28 -1.17 1.33 0.16 0.04 0.00 0.00 177.00 177.63 2eki s ASP 24 N 3.88 5.23 -0.09 6.66 1.47 -1.23 -4.95 116.67 127.64 2eki s ASP 24 Ca 0.70 2.69 0.13 0.00 1.18 0.00 0.00 52.55 57.25 2eki s ASP 24 Cb -0.26 -2.63 0.25 0.00 -0.34 0.00 0.00 42.92 39.94 2eki s ASP 24 CO 0.28 -1.59 1.12 -1.22 0.68 0.00 0.00 175.17 174.44 2eki n TYR 25 N -1.15 0.00 -0.07 2.11 4.02 -1.26 -4.51 117.16 116.30 2eki n TYR 25 Ca 0.11 -0.74 -0.11 0.00 -0.01 0.00 0.00 57.90 57.15 2eki n TYR 25 Cb 0.46 -0.14 -0.06 0.00 -0.02 0.00 0.00 39.34 39.58 2eki n TYR 25 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2eki n THR 26 N -0.71 0.77 -2.89 -0.72 -2.24 -1.26 -4.76 114.28 102.46 2eki n THR 26 Ca 0.11 -0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.33 2eki n THR 26 Cb 0.74 -1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 67.81 2eki n THR 26 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2eki n SER 27 N -3.05 4.74 -4.70 3.42 2.88 -1.26 -5.08 113.62 110.57 2eki n SER 27 Ca -0.25 -3.69 -0.29 0.00 -1.33 0.00 0.00 58.87 53.31 2eki n SER 27 Cb 0.74 -0.60 0.15 0.00 -0.75 0.00 0.00 64.21 63.75 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 -3.55 0.94 -0.42 -1.46 0.04 -1.26 -5.01 135.00 124.28 2eki s PRO 28 Ca 0.48 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.13 2eki s PRO 28 Cb 0.28 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 33.12 2eki s PRO 28 CO -0.14 -2.43 0.27 0.54 0.04 0.00 0.00 177.00 175.27 2eki s VAL 29 N -2.95 4.19 -0.61 -0.36 0.11 -0.96 -4.91 120.40 114.91 2eki s VAL 29 Ca 0.64 -1.47 -0.20 0.00 -2.93 0.00 0.00 61.98 58.03 2eki s VAL 29 Cb -0.18 -3.59 0.09 0.00 -1.53 0.00 0.00 36.38 31.17 2eki s VAL 29 CO 0.57 -0.54 0.78 0.54 -3.33 0.00 0.00 175.10 173.12 2eki s VAL 30 N 1.41 4.68 0.36 2.04 0.11 -1.26 -1.46 120.40 126.27 2eki s VAL 30 Ca 0.03 -0.81 -0.13 0.00 -2.93 0.00 0.00 61.98 58.15 2eki s VAL 30 Cb -0.23 -4.54 -0.08 0.00 -1.53 0.00 0.00 36.38 30.00 2eki s VAL 30 CO 0.01 -1.22 0.74 -0.76 -3.33 0.00 0.00 175.10 170.55 2eki s LEU 31 N 3.08 3.96 -0.06 2.54 1.43 0.03 -4.79 118.68 124.87 2eki s LEU 31 Ca 0.15 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.15 2eki s LEU 31 Cb -0.22 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 2eki s LEU 31 CO 0.07 -0.29 1.50 -2.16 0.23 0.00 0.00 176.35 175.71 2eki s PRO 32 N -3.37 4.22 0.06 1.29 0.04 -1.25 -2.18 135.00 133.80 2eki s PRO 32 Ca 0.53 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 2eki s PRO 32 Cb -0.10 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2eki s PRO 32 CO 0.24 -0.75 0.90 0.98 0.04 0.00 0.00 177.00 178.40 2eki n TYR 33 N 6.56 -0.16 -0.24 0.56 9.36 -1.13 0.15 117.16 132.26 2eki n TYR 33 Ca 0.15 0.47 0.17 0.00 3.32 0.00 0.00 57.90 62.02 2eki n TYR 33 Cb 0.43 -0.46 0.33 0.00 -0.63 0.00 0.00 39.34 39.01 2eki n TYR 33 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2eki n SER 34 N -3.87 0.10 -3.89 2.98 2.88 -1.26 -2.48 113.62 108.09 2eki n SER 34 Ca 0.01 1.20 -0.30 0.00 -1.33 0.00 0.00 58.87 58.45 2eki n SER 34 Cb 0.10 -0.52 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2eki s ARG 35 N -5.32 1.71 -0.14 -1.46 1.81 0.39 -5.06 118.95 110.88 2eki s ARG 35 Ca -0.08 -2.35 -0.03 0.00 -1.72 0.00 0.00 55.73 51.55 2eki s ARG 35 Cb 0.23 -3.01 0.05 0.00 -0.45 0.00 0.00 34.95 31.77 2eki s ARG 35 CO 0.56 -1.10 0.05 0.95 -0.68 0.00 0.00 175.30 175.08 2eki s THR 36 N 0.04 0.17 0.06 0.02 -4.23 -1.03 -3.88 115.64 106.78 2eki s THR 36 Ca 0.16 -0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.26 2eki s THR 36 Cb -0.25 -0.64 0.09 0.00 1.34 0.00 0.00 72.50 73.04 2eki s THR 36 CO -0.01 -0.10 0.83 0.42 -0.54 0.00 0.00 174.62 175.21 2eki s THR 37 N 2.03 0.00 0.45 3.99 -4.23 -1.26 -3.81 115.64 112.81 2eki s THR 37 Ca 0.02 -0.09 0.20 0.00 -1.18 0.00 0.00 61.69 60.64 2eki s THR 37 Cb -0.15 -1.13 0.39 0.00 1.34 0.00 0.00 72.50 72.95 2eki s THR 37 CO -0.07 0.00 1.89 0.58 -0.54 0.00 0.00 174.62 176.48 2eki h VAL 38 N 2.00 0.70 0.00 2.29 2.07 -1.42 0.42 116.25 122.31 2eki h VAL 38 Ca -0.25 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2eki h VAL 38 Cb 1.26 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2eki h VAL 38 CO 0.32 0.05 -0.37 1.05 0.02 0.00 0.00 177.57 178.64 2eki h GLU 39 N 0.30 0.00 -0.07 1.57 4.11 -1.83 -2.84 114.58 115.82 2eki h GLU 39 Ca 0.41 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.62 2eki h GLU 39 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2eki h GLU 39 CO -0.11 0.37 -0.84 0.22 0.07 0.00 0.00 179.01 178.72 2eki h ASP 40 N 0.00 0.67 -0.06 3.06 1.82 -0.51 -3.03 116.42 118.38 2eki h ASP 40 Ca -0.00 -0.48 -0.18 0.00 -0.39 0.00 0.00 57.03 55.97 2eki h ASP 40 Cb 1.05 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 2eki h ASP 40 CO 0.05 1.26 -0.62 0.15 -1.61 0.00 0.00 179.24 178.46 2eki h PHE 41 N 0.35 0.87 -0.53 0.28 3.04 -1.37 -3.14 116.94 116.43 2eki h PHE 41 Ca -0.06 -0.33 0.01 0.00 3.98 0.00 0.00 57.97 61.56 2eki h PHE 41 Cb 1.45 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.78 2eki h PHE 41 CO 0.07 1.12 0.35 0.00 -2.02 0.00 0.00 178.31 177.83 2eki h MET 43 N 0.71 0.86 -0.97 0.00 2.86 -1.53 0.32 114.93 117.18 2eki h MET 43 Ca 0.20 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 58.00 2eki h MET 43 Cb -0.07 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.31 2eki h MET 43 CO -0.05 0.57 0.62 0.87 1.06 0.00 0.00 176.91 179.98 2eki h LYS 44 N 0.88 0.48 0.00 1.72 1.79 -1.40 -3.26 116.57 116.78 2eki h LYS 44 Ca 0.33 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2eki h LYS 44 Cb 0.12 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2eki h LYS 44 CO -0.15 0.31 -0.09 -0.89 -1.08 0.00 0.00 179.45 177.55 2eki n ILE 45 N -4.60 0.21 -3.50 1.86 2.08 -0.59 -4.99 119.36 109.82 2eki n ILE 45 Ca 0.22 0.46 -0.16 0.00 0.56 0.00 0.00 62.75 63.83 2eki n ILE 45 Cb 0.72 -1.63 -0.12 0.00 -0.75 0.00 0.00 39.64 37.86 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 -1.21 -0.38 0.25 1.39 2.46 0.10 -5.03 115.29 112.87 2eki s HIS 46 Ca -0.03 0.45 -0.07 0.00 0.47 0.00 0.00 55.06 55.88 2eki s HIS 46 Cb 0.00 -0.25 0.43 0.00 -0.13 0.00 0.00 32.58 32.63 2eki s HIS 46 CO 0.04 -0.57 1.63 0.87 -2.47 0.00 0.00 174.74 174.24 2eki h LYS 47 N 8.29 0.07 -0.16 2.88 1.57 -1.68 0.93 116.57 128.47 2eki h LYS 47 Ca -0.17 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2eki h LYS 47 Cb 1.15 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2eki h LYS 47 CO 0.25 0.05 0.13 -0.97 -0.57 0.00 0.00 179.45 178.34 2eki h ASN 48 N 0.08 0.00 -0.95 0.86 -1.24 -1.95 -2.96 115.58 109.41 2eki h ASN 48 Ca 0.41 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.52 2eki h ASN 48 Cb 0.72 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 39.64 2eki h ASN 48 CO -0.70 0.00 -0.51 -0.11 -1.29 0.00 0.00 177.43 174.82 2eki n LEU 49 N -4.20 -0.91 -0.36 0.34 7.94 0.32 0.11 117.00 120.25 2eki n LEU 49 Ca 0.01 1.69 0.33 0.00 -1.11 0.00 0.00 56.01 56.92 2eki n LEU 49 Cb 0.26 -0.26 0.58 0.00 0.53 0.00 0.00 43.42 44.52 2eki n LEU 49 CO 0.32 -1.41 1.04 0.00 -1.11 0.00 0.00 177.39 176.22 2eki n ILE 50 N -5.25 -0.32 -0.12 1.96 0.13 -1.12 0.17 119.36 114.82 2eki n ILE 50 Ca 0.04 1.76 -0.09 0.00 -1.10 0.00 0.00 62.75 63.36 2eki n ILE 50 Cb 0.28 -2.88 -0.01 0.00 -0.84 0.00 0.00 39.64 36.19 2eki n ILE 50 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 2eki h LYS 51 N 0.00 0.52 -0.00 9.51 1.57 0.50 -2.51 116.57 126.17 2eki h LYS 51 Ca 0.79 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 2eki h LYS 51 Cb 2.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.52 2eki h LYS 51 CO -0.58 0.48 -0.27 0.39 -0.57 0.00 0.00 179.45 178.90 2eki n GLU 52 N -4.72 0.13 -2.02 3.15 -0.58 0.46 -4.83 120.64 112.24 2eki n GLU 52 Ca -0.01 -0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.25 2eki n GLU 52 Cb 0.12 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.91 1.89 -0.20 -0.32 5.36 0.24 -1.56 117.98 120.48 2eki s PHE 53 Ca 0.15 0.51 -0.18 0.00 -0.96 0.00 0.00 56.93 56.45 2eki s PHE 53 Cb 0.18 -4.05 -0.15 0.00 -0.34 0.00 0.00 43.02 38.67 2eki s PHE 53 CO 0.61 -3.17 0.08 1.17 -1.46 0.00 0.00 175.22 172.44 2eki n LYS 54 N 8.00 0.54 -3.79 10.12 4.81 -0.78 -4.93 118.16 132.13 2eki n LYS 54 Ca 0.21 0.54 -0.07 0.00 -0.87 0.00 0.00 58.31 58.12 2eki n LYS 54 Cb 0.45 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.36 -0.21 -0.00 5.64 -0.85 -1.26 -4.91 117.35 113.40 2eki s TYR 55 Ca -0.27 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.13 2eki s TYR 55 Cb 0.06 0.68 -0.01 0.00 0.38 0.00 0.00 41.96 43.07 2eki s TYR 55 CO 0.50 -1.11 -0.11 0.00 -1.52 0.00 0.00 175.55 173.32 2eki s ALA 56 N -3.76 0.87 -0.57 9.51 0.00 -1.08 -2.87 121.76 123.86 2eki s ALA 56 Ca 0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2eki s ALA 56 Cb -0.05 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.02 2eki s ALA 56 CO 0.04 0.20 0.42 -0.51 0.00 0.00 0.00 175.76 175.91 2eki s LEU 57 N -0.40 5.59 0.20 0.00 1.43 -1.24 -1.98 118.68 122.29 2eki s LEU 57 Ca 0.03 -2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 50.41 2eki s LEU 57 Cb -0.05 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 2eki s LEU 57 CO -0.00 -0.52 1.03 -0.69 0.23 0.00 0.00 176.35 176.39 2eki s VAL 58 N 0.58 3.97 -0.45 -1.59 1.01 -1.23 -3.52 120.40 119.16 2eki s VAL 58 Ca 0.12 1.82 0.03 0.00 0.00 0.00 0.00 61.98 63.95 2eki s VAL 58 Cb -0.21 -4.16 0.13 0.00 0.00 0.00 0.00 36.38 32.14 2eki s VAL 58 CO -0.04 0.37 0.22 0.26 0.00 0.00 0.00 175.10 175.91 2eki s TRP 59 N -0.66 2.72 0.00 5.22 0.51 -0.79 -3.76 118.94 122.19 2eki s TRP 59 Ca 0.45 -2.79 0.00 0.00 -2.12 0.00 0.00 56.10 51.64 2eki s TRP 59 Cb -0.28 -2.43 0.00 0.00 -0.81 0.00 0.00 33.47 29.95 2eki s TRP 59 CO 0.34 -0.79 0.00 0.41 -0.51 0.00 0.00 176.95 176.40 2eki n GLY 60 N 3.52 -0.64 0.45 0.98 0.00 -1.26 -3.88 105.19 104.36 2eki n GLY 60 Ca 0.06 -1.14 0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.31 -0.84 0.99 -0.00 -1.95 -0.68 115.31 113.15 2eki h LEU 61 Ca 0.00 0.09 0.27 0.00 -0.00 0.00 0.00 57.88 58.24 2eki h LEU 61 Cb 0.00 0.05 -0.15 0.00 -0.00 0.00 0.00 40.66 40.55 2eki h LEU 61 CO 0.00 -0.01 0.16 -0.24 -0.00 0.00 0.00 178.44 178.35 2eki n SER 62 N -4.58 0.03 -4.68 -0.43 2.88 -1.26 -4.33 113.62 101.26 2eki n SER 62 Ca 0.30 1.41 -0.24 0.00 -1.33 0.00 0.00 58.87 59.00 2eki n SER 62 Cb 1.13 -0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 2eki n SER 62 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2eki s VAL 63 N -5.61 3.69 -0.11 2.46 -7.23 -0.26 -5.06 120.40 108.28 2eki s VAL 63 Ca -0.10 -1.65 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 2eki s VAL 63 Cb 0.26 -2.93 -0.26 0.00 0.56 0.00 0.00 36.38 34.01 2eki s VAL 63 CO 0.65 -0.27 0.84 0.11 -0.31 0.00 0.00 175.10 176.12 2eki h LYS 64 N 2.15 0.05 -4.24 4.82 6.56 -1.83 -3.44 116.57 120.64 2eki h LYS 64 Ca -0.46 -0.08 -0.60 0.00 -1.06 0.00 0.00 60.65 58.44 2eki h LYS 64 Cb 1.23 0.03 -0.39 0.00 -0.57 0.00 0.00 32.23 32.53 2eki h LYS 64 CO 0.59 0.99 -0.78 -1.01 -2.06 0.00 0.00 179.45 177.19 2eki s HIS 65 N -2.45 2.34 0.17 -1.35 3.76 -1.26 -5.07 115.29 111.43 2eki s HIS 65 Ca -0.18 -1.80 0.05 0.00 -0.15 0.00 0.00 55.06 52.99 2eki s HIS 65 Cb -0.02 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 2eki s HIS 65 CO 0.71 -0.79 0.11 0.54 -0.85 0.00 0.00 174.74 174.46 2eki s ASN 66 N 1.41 5.37 0.36 1.40 2.20 -1.26 -3.63 114.94 120.80 2eki s ASN 66 Ca -0.02 -0.18 -0.27 0.00 -0.94 0.00 0.00 52.86 51.45 2eki s ASN 66 Cb -0.19 -1.36 -0.09 0.00 -2.00 0.00 0.00 41.25 37.62 2eki s ASN 66 CO -0.08 0.07 1.20 -2.16 -2.94 0.00 0.00 177.10 173.19 2eki s PRO 67 N -3.06 4.21 -0.07 3.55 0.04 -1.26 -5.09 135.00 133.31 2eki s PRO 67 Ca 0.30 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.34 2eki s PRO 67 Cb -0.10 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2eki s PRO 67 CO 0.22 -0.22 -0.21 -1.14 0.04 0.00 0.00 177.00 175.70 2eki s GLN 68 N -2.03 2.71 -0.27 4.56 0.74 -1.24 -4.98 119.66 119.14 2eki s GLN 68 Ca 0.53 -0.83 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 2eki s GLN 68 Cb -0.34 -2.29 0.01 0.00 1.10 0.00 0.00 33.01 31.49 2eki s GLN 68 CO 0.43 0.39 1.15 0.21 -0.55 0.00 0.00 175.29 176.92 2eki s LYS 69 N -0.16 4.10 0.35 1.67 2.47 -1.26 -3.56 119.74 123.36 2eki s LYS 69 Ca -0.03 1.28 0.07 0.00 -1.56 0.00 0.00 55.97 55.73 2eki s LYS 69 Cb -0.14 -3.75 -0.07 0.00 -1.46 0.00 0.00 37.83 32.41 2eki s LYS 69 CO 0.04 -0.86 -0.02 0.14 0.16 0.00 0.00 175.35 174.81 2eki s VAL 70 N 3.69 1.81 0.00 4.02 -7.23 -0.84 -4.96 120.40 116.88 2eki s VAL 70 Ca 0.49 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2eki s VAL 70 Cb -0.15 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.03 2eki s VAL 70 CO 0.15 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2eki n GLY 71 N -0.79 2.21 0.07 2.32 0.00 -1.26 -2.62 105.19 105.13 2eki n GLY 71 Ca -0.05 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 0.64 0.06 1.61 -0.00 -1.26 -4.02 118.16 115.19 2eki n LYS 72 Ca 0.00 0.04 0.13 0.00 -0.00 0.00 0.00 58.31 58.49 2eki n LYS 72 Cb 0.00 -1.67 0.47 0.00 -0.00 0.00 0.00 35.03 33.83 2eki n LYS 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2eki n ASP 73 N -2.66 0.49 -4.71 -5.58 2.03 -1.26 -2.94 116.55 101.92 2eki n ASP 73 Ca -0.12 0.50 -0.43 0.00 0.52 0.00 0.00 54.79 55.26 2eki n ASP 73 Cb 0.79 -0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 2eki n ASP 73 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2eki n HIS 74 N -1.94 2.64 -2.84 -0.67 -0.00 -1.26 -4.82 115.22 106.32 2eki n HIS 74 Ca 0.06 0.20 -0.40 0.00 0.46 0.00 0.00 57.72 58.04 2eki n HIS 74 Cb 0.39 -2.60 -0.05 0.00 -0.12 0.00 0.00 29.99 27.61 2eki n HIS 74 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 2eki s THR 75 N 0.55 4.41 0.23 3.57 2.01 -1.26 -2.00 115.64 123.16 2eki s THR 75 Ca 0.71 1.90 -0.13 0.00 0.31 0.00 0.00 61.69 64.48 2eki s THR 75 Cb -0.55 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 67.64 2eki s THR 75 CO 0.41 0.42 0.61 -0.76 -0.69 0.00 0.00 174.62 174.61 2eki s LEU 76 N -0.57 4.20 0.28 4.42 1.43 -1.25 -4.91 118.68 122.28 2eki s LEU 76 Ca 0.41 1.10 0.10 0.00 -1.03 0.00 0.00 54.13 54.71 2eki s LEU 76 Cb -0.23 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2eki s LEU 76 CO 0.28 -0.05 -0.00 -1.61 0.23 0.00 0.00 176.35 175.20 2eki s GLU 77 N -2.55 2.27 0.36 1.70 0.41 -1.26 -4.84 118.70 114.78 2eki s GLU 77 Ca 0.46 -1.46 -0.27 0.00 -0.41 0.00 0.00 54.97 53.29 2eki s GLU 77 Cb -0.12 -2.14 -0.09 0.00 -1.78 0.00 0.00 34.13 30.00 2eki s GLU 77 CO 0.20 0.33 1.25 0.34 -0.49 0.00 0.00 175.26 176.90 2eki s ASP 78 N -3.68 6.64 -1.19 -0.19 2.15 -1.26 -3.44 116.67 115.70 2eki s ASP 78 Ca 0.32 2.56 -0.03 0.00 0.43 0.00 0.00 52.55 55.83 2eki s ASP 78 Cb -0.06 -2.64 -0.02 0.00 -0.30 0.00 0.00 42.92 39.91 2eki s ASP 78 CO 0.20 -0.61 0.88 -0.62 -0.17 0.00 0.00 175.17 174.85 2eki n GLU 79 N 0.50 -4.75 -4.53 4.34 1.02 -0.11 -4.84 120.64 112.27 2eki n GLU 79 Ca 0.02 0.76 -0.21 0.00 -0.02 0.00 0.00 57.16 57.71 2eki n GLU 79 Cb 0.44 -5.54 -0.15 0.00 -0.02 0.00 0.00 31.44 26.16 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 -4.07 1.44 -0.21 1.62 1.11 -1.11 -4.92 116.67 110.53 2eki s ASP 80 Ca 0.14 -0.22 -0.13 0.00 0.18 0.00 0.00 52.55 52.52 2eki s ASP 80 Cb -0.03 -0.23 -0.04 0.00 1.07 0.00 0.00 42.92 43.69 2eki s ASP 80 CO 0.76 0.13 0.28 -0.69 1.18 0.00 0.00 175.17 176.83 2eki s VAL 81 N -0.14 5.29 -0.01 -1.27 1.01 -1.25 -0.77 120.40 123.25 2eki s VAL 81 Ca 0.02 0.45 0.07 0.00 0.00 0.00 0.00 61.98 62.52 2eki s VAL 81 Cb -0.06 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2eki s VAL 81 CO -0.00 0.32 -0.23 -0.51 0.00 0.00 0.00 175.10 174.68 2eki s ILE 82 N 1.05 2.36 -0.49 2.22 2.07 -0.91 -1.89 121.20 125.61 2eki s ILE 82 Ca 0.14 -1.07 -0.02 0.00 -1.41 0.00 0.00 60.65 58.29 2eki s ILE 82 Cb -0.14 -1.88 0.13 0.00 0.13 0.00 0.00 42.46 40.71 2eki s ILE 82 CO 0.05 0.53 0.28 -1.58 -1.91 0.00 0.00 174.94 172.32 2eki s GLN 83 N -0.81 2.16 -0.48 3.50 0.74 -1.23 0.02 119.66 123.58 2eki s GLN 83 Ca 0.11 -2.16 -0.28 0.00 0.05 0.00 0.00 55.36 53.07 2eki s GLN 83 Cb -0.10 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.43 2eki s GLN 83 CO 0.00 -1.10 1.51 0.42 -0.55 0.00 0.00 175.29 175.57 2eki s ILE 84 N 0.54 3.75 0.03 -2.34 -1.09 -1.26 -3.62 121.20 117.21 2eki s ILE 84 Ca 0.12 0.70 -0.10 0.00 -2.23 0.00 0.00 60.65 59.14 2eki s ILE 84 Cb -0.22 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.41 2eki s ILE 84 CO -0.04 -0.88 0.35 0.68 -1.23 0.00 0.00 174.94 173.82 2eki s VAL 85 N 6.21 5.15 -0.20 2.92 -7.23 -1.14 -4.90 120.40 121.21 2eki s VAL 85 Ca 0.61 0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 61.21 2eki s VAL 85 Cb -0.14 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 2eki s VAL 85 CO 0.29 0.41 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.93 2eki s LYS 86 N -1.59 3.58 -0.27 4.82 1.02 -1.26 -1.87 119.74 124.17 2eki s LYS 86 Ca 0.28 -0.54 -0.33 0.00 0.02 0.00 0.00 55.97 55.40 2eki s LYS 86 Cb -0.14 -3.04 -0.15 0.00 -0.52 0.00 0.00 37.83 33.97 2eki s LYS 86 CO 0.15 0.01 1.07 1.63 -0.92 0.00 0.00 175.35 177.29 2eki n LYS 87 N 4.25 0.00 -1.91 1.68 5.02 -0.60 -4.77 118.16 121.83 2eki n LYS 87 Ca -0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 2eki n LYS 87 Cb 0.52 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 2eki n LYS 87 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2eki s SER 88 N 1.60 6.57 0.00 4.39 0.01 -1.26 -4.78 113.70 120.22 2eki s SER 88 Ca 0.75 2.60 0.00 0.00 1.31 0.00 0.00 55.95 60.61 2eki s SER 88 Cb -1.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 62.58 2eki s SER 88 CO 0.56 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2eki n GLY 89 N 3.85 -1.50 0.00 3.44 0.00 -1.26 -4.93 105.19 104.78 2eki n GLY 89 Ca 0.15 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 45.03 2eki n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eki n PRO 90 N -0.08 0.49 -3.20 1.61 -0.04 -1.26 -4.84 135.00 127.68 2eki n PRO 90 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2eki n PRO 90 Cb 0.00 -1.36 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2eki n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2eki n SER 91 N -0.86 -2.52 -3.89 3.54 7.64 -1.26 -2.84 113.62 113.42 2eki n SER 91 Ca 0.09 -0.50 -0.27 0.00 1.01 0.00 0.00 58.87 59.20 2eki n SER 91 Cb 0.04 -4.27 0.01 0.00 -1.01 0.00 0.00 64.21 58.98 2eki n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eki n SER 92 N -2.66 -2.32 0.00 6.43 2.88 -1.26 -5.22 113.62 111.46 2eki n SER 92 Ca -0.20 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.46 2eki n SER 92 Cb 0.63 -3.60 0.00 0.00 -0.75 0.00 0.00 64.21 60.48 2eki n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42