#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 2.06 -3.99 1.61 7.64 -1.26 -4.93 113.62 114.75 2eki n SER 2 Ca 0.00 0.92 -0.10 0.00 1.01 0.00 0.00 58.87 60.70 2eki n SER 2 Cb 0.00 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 61.98 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 4.50 0.33 0.00 6.43 0.15 -1.26 -5.09 113.70 118.76 2eki s SER 3 Ca 1.04 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2eki s SER 3 Cb -1.12 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2eki s SER 3 CO 0.64 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.41 2eki n GLY 4 N 1.59 0.60 3.50 9.45 0.00 -1.26 -4.96 105.19 114.11 2eki n GLY 4 Ca -0.24 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.00 -0.61 0.00 1.61 1.04 -1.26 -5.18 113.70 105.30 2eki s SER 5 Ca 0.00 0.87 -0.23 0.00 0.48 0.00 0.00 55.95 57.07 2eki s SER 5 Cb 0.00 0.81 0.05 0.00 0.10 0.00 0.00 66.02 66.98 2eki s SER 5 CO 0.00 -0.45 0.52 -0.44 0.98 0.00 0.00 173.24 173.85 2eki s SER 6 N -0.63 -0.45 -0.41 7.02 0.01 -1.26 -5.13 113.70 112.84 2eki s SER 6 Ca -0.07 0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.57 2eki s SER 6 Cb -0.02 0.47 0.18 0.00 0.21 0.00 0.00 66.02 66.86 2eki s SER 6 CO 0.06 -0.63 0.70 -0.83 0.41 0.00 0.00 173.24 172.96 2eki s GLY 7 N -1.59 -1.32 0.00 3.44 0.00 -1.26 -4.98 107.32 101.61 2eki s GLY 7 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2eki s GLY 7 CO 0.03 3.76 0.86 2.98 0.00 0.00 0.00 173.10 180.73 2eki n TYR 8 N 4.08 0.00 -3.03 1.90 9.36 -1.26 -4.90 117.16 123.31 2eki n TYR 8 Ca 0.11 -0.37 -0.44 0.00 3.32 0.00 0.00 57.90 60.52 2eki n TYR 8 Cb 0.58 -0.04 -0.01 0.00 -0.63 0.00 0.00 39.34 39.24 2eki n TYR 8 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2eki s LEU 9 N -0.74 5.37 0.75 2.98 1.98 -1.26 -4.86 118.68 122.90 2eki s LEU 9 Ca 0.00 -2.85 -0.11 0.00 -2.89 0.00 0.00 54.13 48.28 2eki s LEU 9 Cb 0.00 -2.36 0.04 0.00 0.66 0.00 0.00 46.19 44.53 2eki s LEU 9 CO 0.00 -0.74 1.08 -0.75 -1.89 0.00 0.00 176.35 174.05 2eki s LYS 10 N 1.29 2.50 -0.17 1.98 2.20 -1.26 -4.88 119.74 121.40 2eki s LYS 10 Ca 0.37 1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 56.99 2eki s LYS 10 Cb -0.05 -1.94 0.04 0.00 -1.51 0.00 0.00 37.83 34.38 2eki s LYS 10 CO -0.04 -1.43 -0.07 -0.51 -0.36 0.00 0.00 175.35 172.94 2eki s LEU 11 N -5.76 1.74 -0.12 5.43 2.01 -1.26 -1.81 118.68 118.90 2eki s LEU 11 Ca 0.60 -0.68 -0.02 0.00 0.01 0.00 0.00 54.13 54.04 2eki s LEU 11 Cb -0.16 -0.99 -0.03 0.00 0.01 0.00 0.00 46.19 45.03 2eki s LEU 11 CO 0.55 -0.17 -0.06 0.68 1.01 0.00 0.00 176.35 178.37 2eki s VAL 12 N 1.58 3.74 -0.18 -1.59 -7.23 -1.20 -4.95 120.40 110.57 2eki s VAL 12 Ca 0.01 -0.43 -0.08 0.00 -1.81 0.00 0.00 61.98 59.67 2eki s VAL 12 Cb -0.15 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2eki s VAL 12 CO -0.08 0.53 0.08 -0.13 -0.31 0.00 0.00 175.10 175.19 2eki s ARG 13 N -0.02 3.96 -0.08 4.82 0.52 -1.26 -1.82 118.95 125.07 2eki s ARG 13 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2eki s ARG 13 Cb -0.13 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 2eki s ARG 13 CO 0.03 0.33 -0.18 0.42 0.02 0.00 0.00 175.30 175.92 2eki s ILE 14 N 0.23 2.68 -0.52 1.52 -1.09 -0.32 0.54 121.20 124.25 2eki s ILE 14 Ca 0.05 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.48 2eki s ILE 14 Cb -0.12 -2.06 0.10 0.00 -1.58 0.00 0.00 42.46 38.80 2eki s ILE 14 CO -0.00 0.56 0.50 -0.31 -1.23 0.00 0.00 174.94 174.46 2eki s TYR 15 N -0.11 3.19 0.42 3.97 2.02 0.82 -1.02 117.35 126.64 2eki s TYR 15 Ca -0.03 -1.02 -0.26 0.00 -0.37 0.00 0.00 57.07 55.39 2eki s TYR 15 Cb -0.14 -3.56 -0.08 0.00 -0.40 0.00 0.00 41.96 37.77 2eki s TYR 15 CO 0.04 -0.98 1.33 -0.08 -1.57 0.00 0.00 175.55 174.29 2eki s THR 16 N 1.89 2.50 -0.50 -0.71 -1.32 -1.26 -1.60 115.64 114.64 2eki s THR 16 Ca 0.06 0.44 0.01 0.00 -1.21 0.00 0.00 61.69 61.00 2eki s THR 16 Cb -0.26 -3.26 0.13 0.00 -1.51 0.00 0.00 72.50 67.60 2eki s THR 16 CO 0.06 0.06 0.25 -0.75 -2.21 0.00 0.00 174.62 172.03 2eki s LYS 17 N -2.33 2.02 0.03 7.08 2.20 0.18 -3.38 119.74 125.55 2eki s LYS 17 Ca 0.58 -2.35 -0.30 0.00 -0.36 0.00 0.00 55.97 53.54 2eki s LYS 17 Cb -0.39 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.44 2eki s LYS 17 CO 0.50 -1.09 1.43 -1.25 -0.36 0.00 0.00 175.35 174.58 2eki s PRO 18 N 0.19 4.28 -0.00 4.03 0.04 -1.26 -4.47 135.00 137.80 2eki s PRO 18 Ca 0.15 2.02 -0.36 0.00 0.04 0.00 0.00 61.00 62.84 2eki s PRO 18 Cb -0.23 -3.53 -0.15 0.00 0.04 0.00 0.00 34.50 30.64 2eki s PRO 18 CO -0.03 -0.57 1.57 0.36 0.04 0.00 0.00 177.00 178.37 2eki n LYS 19 N 5.18 1.56 0.00 4.56 -0.00 -1.26 -1.57 118.16 126.64 2eki n LYS 19 Ca 0.13 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 59.01 2eki n LYS 19 Cb 0.43 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.18 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 3.41 2.69 4.01 2.58 0.00 -1.26 -5.00 105.19 111.62 2eki n GLY 20 Ca 0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2eki n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2eki s GLN 21 N 0.00 2.10 0.24 1.61 0.74 -0.61 -5.10 119.66 118.65 2eki s GLN 21 Ca 0.00 -1.26 -0.07 0.00 0.05 0.00 0.00 55.36 54.08 2eki s GLN 21 Cb 0.00 -2.50 -0.06 0.00 1.10 0.00 0.00 33.01 31.55 2eki s GLN 21 CO 0.00 -1.05 0.53 -0.48 -0.55 0.00 0.00 175.29 173.74 2eki s LEU 22 N -4.86 4.13 -0.11 3.68 0.05 -1.26 -4.37 118.68 115.94 2eki s LEU 22 Ca 0.63 0.78 -0.29 0.00 0.05 0.00 0.00 54.13 55.29 2eki s LEU 22 Cb -0.06 -3.56 -0.04 0.00 -2.05 0.00 0.00 46.19 40.47 2eki s LEU 22 CO 0.41 -0.11 1.53 -2.16 -0.55 0.00 0.00 176.35 175.47 2eki s PRO 23 N -3.13 4.15 0.60 1.48 0.04 -1.26 -4.59 135.00 132.30 2eki s PRO 23 Ca 0.45 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 63.26 2eki s PRO 23 Cb -0.11 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2eki s PRO 23 CO 0.26 -0.86 1.18 -0.40 0.04 0.00 0.00 177.00 177.21 2eki n ASP 24 N 7.14 1.70 0.00 6.66 5.75 -1.22 -4.94 116.55 131.65 2eki n ASP 24 Ca 0.16 0.86 0.00 0.00 -0.01 0.00 0.00 54.79 55.80 2eki n ASP 24 Cb 0.44 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.03 2eki n ASP 24 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2eki n TYR 25 N -1.61 0.00 -0.03 2.11 4.01 -1.26 -4.54 117.16 115.84 2eki n TYR 25 Ca 0.14 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.85 2eki n TYR 25 Cb 0.47 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.37 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 -0.98 1.09 -2.56 -0.72 5.66 -1.26 -4.42 114.28 111.09 2eki n THR 26 Ca 0.00 -0.73 -0.29 0.00 -3.05 0.00 0.00 64.05 59.99 2eki n THR 26 Cb 0.00 -0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 68.23 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 -2.75 5.03 -4.76 1.09 2.88 -1.26 -5.07 113.62 108.78 2eki n SER 27 Ca -0.17 -3.72 -0.31 0.00 -1.33 0.00 0.00 58.87 53.34 2eki n SER 27 Cb 0.92 -0.57 0.10 0.00 -0.75 0.00 0.00 64.21 63.91 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 -3.61 2.14 -0.48 -1.46 0.04 -1.26 -4.95 135.00 125.42 2eki s PRO 28 Ca 0.48 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 2eki s PRO 28 Cb 0.36 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 33.11 2eki s PRO 28 CO -0.20 -1.72 0.39 0.54 0.04 0.00 0.00 177.00 176.06 2eki s VAL 29 N -2.91 4.94 -0.47 -0.36 0.11 -0.19 -4.88 120.40 116.64 2eki s VAL 29 Ca 0.61 -1.30 -0.20 0.00 -2.93 0.00 0.00 61.98 58.17 2eki s VAL 29 Cb -0.17 -4.04 0.04 0.00 -1.53 0.00 0.00 36.38 30.67 2eki s VAL 29 CO 0.56 -0.65 0.62 0.54 -3.33 0.00 0.00 175.10 172.84 2eki s VAL 30 N 1.56 4.86 0.15 2.04 0.11 -1.26 -1.17 120.40 126.70 2eki s VAL 30 Ca 0.04 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 2eki s VAL 30 Cb -0.26 -4.24 -0.05 0.00 -1.53 0.00 0.00 36.38 30.31 2eki s VAL 30 CO 0.04 -0.69 0.35 -0.76 -3.33 0.00 0.00 175.10 170.72 2eki s LEU 31 N 2.70 4.27 0.01 2.54 1.43 -0.76 -4.92 118.68 123.95 2eki s LEU 31 Ca 0.18 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2eki s LEU 31 Cb -0.17 -3.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.81 2eki s LEU 31 CO 0.15 0.03 1.44 -2.16 0.23 0.00 0.00 176.35 176.04 2eki s PRO 32 N -2.92 4.27 0.13 1.29 0.04 -1.26 -3.23 135.00 133.31 2eki s PRO 32 Ca 0.39 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.21 2eki s PRO 32 Cb -0.12 -3.57 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 2eki s PRO 32 CO 0.27 -0.60 1.38 0.98 0.04 0.00 0.00 177.00 179.08 2eki n TYR 33 N 5.38 -0.35 -0.31 0.56 9.36 -0.75 0.86 117.16 131.91 2eki n TYR 33 Ca 0.13 1.00 0.27 0.00 3.32 0.00 0.00 57.90 62.62 2eki n TYR 33 Cb 0.43 -0.56 0.47 0.00 -0.63 0.00 0.00 39.34 39.05 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 -4.83 0.19 -3.69 2.98 2.88 -1.26 -1.96 113.62 107.92 2eki n SER 34 Ca 0.02 1.07 -0.28 0.00 -1.33 0.00 0.00 58.87 58.34 2eki n SER 34 Cb 0.21 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 63.02 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 -4.90 1.57 -0.18 -1.46 1.81 0.25 -5.07 118.95 110.98 2eki s ARG 35 Ca -0.06 -2.47 -0.01 0.00 -1.72 0.00 0.00 55.73 51.47 2eki s ARG 35 Cb 0.23 -2.45 0.05 0.00 -0.45 0.00 0.00 34.95 32.33 2eki s ARG 35 CO 0.58 -1.26 -0.03 0.95 -0.68 0.00 0.00 175.30 174.86 2eki s THR 36 N -0.31 1.05 -0.25 0.02 -4.23 -0.83 -4.14 115.64 106.94 2eki s THR 36 Ca 0.24 -0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.80 2eki s THR 36 Cb -0.10 -1.29 0.15 0.00 1.34 0.00 0.00 72.50 72.59 2eki s THR 36 CO -0.11 0.04 1.16 0.42 -0.54 0.00 0.00 174.62 175.59 2eki s THR 37 N 1.65 0.00 0.30 3.99 -4.23 -1.26 -4.21 115.64 111.87 2eki s THR 37 Ca -0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.64 2eki s THR 37 Cb -0.16 -1.00 0.31 0.00 1.34 0.00 0.00 72.50 72.99 2eki s THR 37 CO -0.07 0.00 1.33 0.52 -0.54 0.00 0.00 174.62 175.85 2eki n VAL 38 N 1.48 -0.35 -0.14 2.29 0.31 -0.56 0.20 118.33 121.56 2eki n VAL 38 Ca -0.10 1.74 -0.09 0.00 -0.01 0.00 0.00 64.34 65.88 2eki n VAL 38 Cb 0.57 -2.76 -0.01 0.00 -0.91 0.00 0.00 33.84 30.73 2eki n VAL 38 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2eki h GLU 39 N 0.00 0.64 -0.39 5.55 4.11 -1.66 -1.61 114.58 121.22 2eki h GLU 39 Ca 0.66 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.95 2eki h GLU 39 Cb 1.69 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2eki h GLU 39 CO -0.68 0.62 0.20 0.22 0.07 0.00 0.00 179.01 179.44 2eki h ASP 40 N 0.52 0.48 0.02 3.06 3.58 0.20 -2.23 116.42 122.05 2eki h ASP 40 Ca 0.13 -0.03 -0.19 0.00 0.42 0.00 0.00 57.03 57.36 2eki h ASP 40 Cb 0.25 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 2eki h ASP 40 CO -0.01 0.40 -0.66 0.15 -2.88 0.00 0.00 179.24 176.25 2eki h PHE 41 N 0.55 0.79 -0.29 0.28 3.04 -0.92 -3.07 116.94 117.31 2eki h PHE 41 Ca 0.14 -0.32 0.04 0.00 3.98 0.00 0.00 57.97 61.81 2eki h PHE 41 Cb 0.04 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 2eki h PHE 41 CO 0.00 1.09 0.19 0.00 -2.02 0.00 0.00 178.31 177.58 2eki h MET 43 N 0.22 0.10 -1.20 0.00 2.86 -1.42 -1.97 114.93 113.51 2eki h MET 43 Ca 0.12 -0.03 0.39 0.00 -2.06 0.00 0.00 59.70 58.13 2eki h MET 43 Cb 0.22 -0.01 -0.13 0.00 0.06 0.00 0.00 31.60 31.74 2eki h MET 43 CO -0.02 0.31 0.75 0.87 1.06 0.00 0.00 176.91 179.88 2eki h LYS 44 N -0.12 0.16 0.00 1.72 1.79 -1.47 -2.49 116.57 116.16 2eki h LYS 44 Ca 0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2eki h LYS 44 Cb 0.25 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2eki h LYS 44 CO 0.00 0.10 -0.02 0.82 -1.08 0.00 0.00 179.45 179.28 2eki h ILE 45 N 0.16 0.00 -3.37 1.86 1.08 -1.55 -3.48 117.51 112.22 2eki h ILE 45 Ca 0.77 -0.32 -0.24 0.00 -0.39 0.00 0.00 64.86 64.68 2eki h ILE 45 Cb 2.24 0.00 -0.31 0.00 -3.07 0.00 0.00 36.82 35.68 2eki h ILE 45 CO -0.46 0.00 -0.62 -2.28 -0.69 0.00 0.00 178.15 174.10 2eki s HIS 46 N -1.20 -0.11 0.55 1.37 2.46 -0.76 -5.02 115.29 112.58 2eki s HIS 46 Ca -0.00 0.36 0.27 0.00 0.47 0.00 0.00 55.06 56.16 2eki s HIS 46 Cb 0.00 -0.08 1.68 0.00 -0.13 0.00 0.00 32.58 34.05 2eki s HIS 46 CO 0.01 -0.12 2.21 0.87 -2.47 0.00 0.00 174.74 175.24 2eki h LYS 47 N 6.91 0.00 -0.85 2.88 1.57 -1.80 -1.85 116.57 123.43 2eki h LYS 47 Ca -0.39 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.81 2eki h LYS 47 Cb 1.15 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.13 2eki h LYS 47 CO 0.44 0.02 0.11 -1.71 -0.57 0.00 0.00 179.45 177.75 2eki n ASN 48 N -3.92 6.04 -0.12 0.86 2.85 -1.26 -4.61 115.26 115.11 2eki n ASN 48 Ca -0.03 -3.77 -0.25 0.00 -0.11 0.00 0.00 54.58 50.43 2eki n ASN 48 Cb 0.11 -0.69 -0.09 0.00 1.24 0.00 0.00 39.78 40.34 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2eki n LEU 49 N -0.86 1.92 -0.39 1.20 7.94 -0.69 -4.36 117.00 121.75 2eki n LEU 49 Ca 0.53 0.38 0.31 0.00 -1.11 0.00 0.00 56.01 56.12 2eki n LEU 49 Cb 0.85 -0.86 0.60 0.00 0.53 0.00 0.00 43.42 44.54 2eki n LEU 49 CO 0.58 0.37 1.23 -0.29 -1.11 0.00 0.00 177.39 178.17 2eki h ILE 50 N -1.00 0.29 -0.67 1.96 6.09 -1.81 0.62 117.51 122.99 2eki h ILE 50 Ca -0.51 -0.07 0.05 0.00 -1.37 0.00 0.00 64.86 62.96 2eki h ILE 50 Cb 1.42 0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.73 2eki h ILE 50 CO -0.31 0.04 0.39 0.11 -3.07 0.00 0.00 178.15 175.31 2eki h LYS 51 N 0.20 0.72 0.00 2.19 6.56 -1.89 -2.18 116.57 122.17 2eki h LYS 51 Ca 0.72 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 60.27 2eki h LYS 51 Cb 2.15 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.65 2eki h LYS 51 CO -0.35 0.48 -0.79 0.93 -2.06 0.00 0.00 179.45 177.66 2eki h GLU 52 N 0.75 0.00 -6.44 3.15 4.39 -0.20 -3.47 114.58 112.76 2eki h GLU 52 Ca 0.29 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.36 2eki h GLU 52 Cb 0.11 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.84 2eki h GLU 52 CO -0.15 0.00 0.43 0.34 -1.16 0.00 0.00 179.01 178.48 2eki n PHE 53 N -2.60 1.68 -0.03 4.33 7.35 0.12 -1.87 117.46 126.44 2eki n PHE 53 Ca 0.01 0.56 -0.08 0.00 -0.76 0.00 0.00 57.45 57.19 2eki n PHE 53 Cb 0.52 -2.36 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 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 1.96 0.26 -3.91 -4.13 4.81 -0.90 -4.80 118.16 111.46 2eki n LYS 54 Ca 0.14 0.11 -0.09 0.00 -0.87 0.00 0.00 58.31 57.59 2eki n LYS 54 Cb 0.27 -0.95 -0.01 0.00 0.02 0.00 0.00 35.03 34.35 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 -2.37 0.24 -0.02 5.64 -0.85 -1.26 -4.89 117.35 113.84 2eki s TYR 55 Ca -0.15 -0.72 0.01 0.00 -0.52 0.00 0.00 57.07 55.69 2eki s TYR 55 Cb 0.04 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.91 2eki s TYR 55 CO 0.22 -1.29 -0.03 0.00 -1.52 0.00 0.00 175.55 172.92 2eki s ALA 56 N -3.23 0.40 -0.46 9.51 0.00 -0.77 -3.12 121.76 124.09 2eki s ALA 56 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 2eki s ALA 56 Cb -0.04 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 22.96 2eki s ALA 56 CO 0.11 0.03 0.36 -0.51 0.00 0.00 0.00 175.76 175.75 2eki s LEU 57 N 0.40 5.56 0.12 0.00 1.43 -1.23 -0.25 118.68 124.71 2eki s LEU 57 Ca -0.04 -1.57 -0.24 0.00 -1.03 0.00 0.00 54.13 51.25 2eki s LEU 57 Cb -0.07 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 2eki s LEU 57 CO -0.01 -0.65 0.74 -0.69 0.23 0.00 0.00 176.35 175.97 2eki s VAL 58 N 1.51 4.53 -0.44 -1.59 1.01 -1.20 -3.23 120.40 120.99 2eki s VAL 58 Ca 0.04 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.65 2eki s VAL 58 Cb -0.25 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.17 2eki s VAL 58 CO 0.03 0.48 0.23 0.26 0.00 0.00 0.00 175.10 176.10 2eki s TRP 59 N -0.81 2.27 0.00 5.22 0.51 -0.77 -3.78 118.94 121.57 2eki s TRP 59 Ca 0.35 -2.56 0.00 0.00 -2.12 0.00 0.00 56.10 51.78 2eki s TRP 59 Cb -0.22 -2.11 0.00 0.00 -0.81 0.00 0.00 33.47 30.34 2eki s TRP 59 CO 0.24 -0.79 0.00 0.41 -0.51 0.00 0.00 176.95 176.31 2eki n GLY 60 N 3.56 0.90 0.13 0.98 0.00 -1.26 -3.95 105.19 105.55 2eki n GLY 60 Ca 0.07 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 0.50 -0.88 0.99 3.38 -1.97 -3.29 115.31 114.04 2eki h LEU 61 Ca 0.00 -0.47 0.36 0.00 0.09 0.00 0.00 57.88 57.86 2eki h LEU 61 Cb 0.00 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 40.45 2eki h LEU 61 CO 0.00 1.31 0.49 -1.54 0.09 0.00 0.00 178.44 178.79 2eki n SER 62 N -3.65 0.28 -4.71 -0.43 3.41 -1.26 -4.23 113.62 103.03 2eki n SER 62 Ca -0.08 1.36 -0.29 0.00 -0.26 0.00 0.00 58.87 59.60 2eki n SER 62 Cb 0.94 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 2eki n SER 62 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2eki s VAL 63 N -5.23 4.06 -0.12 -3.33 -7.23 -1.24 -5.05 120.40 102.26 2eki s VAL 63 Ca -0.07 -1.09 -0.27 0.00 -1.81 0.00 0.00 61.98 58.74 2eki s VAL 63 Cb 0.28 -2.99 -0.24 0.00 0.56 0.00 0.00 36.38 34.00 2eki s VAL 63 CO 0.66 0.03 0.80 0.11 -0.31 0.00 0.00 175.10 176.38 2eki h LYS 64 N 3.08 -0.01 -4.92 4.82 6.56 -1.86 -3.45 116.57 120.80 2eki h LYS 64 Ca -0.47 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.47 2eki h LYS 64 Cb 1.18 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.49 2eki h LYS 64 CO 0.60 0.86 -0.85 -1.01 -2.06 0.00 0.00 179.45 177.00 2eki s HIS 65 N -2.48 2.65 0.26 -1.35 3.76 -1.26 -5.09 115.29 111.78 2eki s HIS 65 Ca -0.17 -1.60 0.12 0.00 -0.15 0.00 0.00 55.06 53.25 2eki s HIS 65 Cb -0.02 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 2eki s HIS 65 CO 0.65 -0.78 -0.20 0.54 -0.85 0.00 0.00 174.74 174.10 2eki s ASN 66 N 1.33 3.50 0.33 1.40 4.22 -1.26 -3.73 114.94 120.71 2eki s ASN 66 Ca 0.03 -1.00 -0.28 0.00 -2.14 0.00 0.00 52.86 49.47 2eki s ASN 66 Cb -0.14 -0.28 -0.10 0.00 1.28 0.00 0.00 41.25 42.01 2eki s ASN 66 CO -0.11 0.04 1.22 -2.16 -2.04 0.00 0.00 177.10 174.05 2eki s PRO 67 N -3.37 4.40 -0.10 3.55 0.04 -1.26 -5.13 135.00 133.13 2eki s PRO 67 Ca 0.28 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.37 2eki s PRO 67 Cb -0.05 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 2eki s PRO 67 CO 0.14 -0.08 -0.17 -1.14 0.04 0.00 0.00 177.00 175.78 2eki s GLN 68 N -1.76 3.08 -0.37 4.56 0.74 -1.24 -4.99 119.66 119.68 2eki s GLN 68 Ca 0.49 -0.76 -0.29 0.00 0.05 0.00 0.00 55.36 54.85 2eki s GLN 68 Cb -0.36 -2.46 0.01 0.00 1.10 0.00 0.00 33.01 31.30 2eki s GLN 68 CO 0.47 0.28 1.32 0.21 -0.55 0.00 0.00 175.29 177.03 2eki s LYS 69 N 0.13 3.75 0.39 1.67 2.20 -1.26 -3.20 119.74 123.41 2eki s LYS 69 Ca -0.09 1.02 0.08 0.00 -0.36 0.00 0.00 55.97 56.62 2eki s LYS 69 Cb -0.15 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.19 2eki s LYS 69 CO 0.05 -1.34 0.28 0.14 -0.36 0.00 0.00 175.35 174.13 2eki s VAL 70 N 4.82 2.84 0.41 4.02 -7.23 0.65 -4.91 120.40 121.00 2eki s VAL 70 Ca 0.57 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2eki s VAL 70 Cb -0.14 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 33.80 2eki s VAL 70 CO 0.28 -0.07 0.29 0.61 -0.31 0.00 0.00 175.10 175.90 2eki n GLY 71 N -1.38 2.88 0.24 2.32 0.00 -1.26 -1.85 105.19 106.13 2eki n GLY 71 Ca 0.00 -2.27 0.10 0.00 0.00 0.00 0.00 46.02 43.85 2eki n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2eki h LYS 72 N 0.00 0.00 0.00 1.61 2.10 -1.94 -2.12 116.57 116.22 2eki h LYS 72 Ca -0.27 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.29 2eki h LYS 72 Cb 0.96 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2eki h LYS 72 CO 0.42 0.19 -0.43 0.22 -2.00 0.00 0.00 179.45 177.85 2eki h ASP 73 N 0.00 0.00 -1.84 7.07 3.58 -1.96 -2.11 116.42 121.17 2eki h ASP 73 Ca -0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2eki h ASP 73 Cb 0.46 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.59 2eki h ASP 73 CO 0.02 0.43 0.17 1.57 -2.88 0.00 0.00 179.24 178.55 2eki n HIS 74 N -3.29 1.08 -3.04 0.28 -0.00 -0.80 -4.72 115.22 104.73 2eki n HIS 74 Ca 0.01 0.74 -0.40 0.00 0.46 0.00 0.00 57.72 58.53 2eki n HIS 74 Cb 0.65 -2.23 -0.05 0.00 -0.12 0.00 0.00 29.99 28.24 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 -0.33 5.05 0.07 3.57 2.01 -1.26 -1.50 115.64 123.24 2eki s THR 75 Ca 0.72 1.44 -0.27 0.00 0.31 0.00 0.00 61.69 63.89 2eki s THR 75 Cb -0.88 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 67.54 2eki s THR 75 CO 0.54 0.25 0.87 -0.76 -0.69 0.00 0.00 174.62 174.82 2eki s LEU 76 N 0.83 4.46 0.09 4.42 1.43 -1.26 -4.90 118.68 123.75 2eki s LEU 76 Ca 0.37 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 2eki s LEU 76 Cb -0.18 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2eki s LEU 76 CO 0.18 -0.05 0.14 -1.61 0.23 0.00 0.00 176.35 175.24 2eki s GLU 77 N 0.09 3.06 0.39 1.70 0.41 -1.26 -4.84 118.70 118.25 2eki s GLU 77 Ca 0.43 -0.65 -0.27 0.00 -0.41 0.00 0.00 54.97 54.06 2eki s GLU 77 Cb -0.22 -2.81 -0.10 0.00 -1.78 0.00 0.00 34.13 29.23 2eki s GLU 77 CO 0.26 0.56 1.45 0.16 -0.49 0.00 0.00 175.26 177.20 2eki s ASP 78 N -2.60 6.29 -1.04 -0.19 1.47 -1.26 -3.08 116.67 116.25 2eki s ASP 78 Ca 0.31 2.97 -0.00 0.00 1.18 0.00 0.00 52.55 57.01 2eki s ASP 78 Cb -0.12 -2.66 -0.00 0.00 -0.34 0.00 0.00 42.92 39.79 2eki s ASP 78 CO 0.24 -0.90 0.87 -0.62 0.68 0.00 0.00 175.17 175.44 2eki n GLU 79 N 0.34 -5.55 -4.36 2.11 1.02 0.19 -4.84 120.64 109.54 2eki n GLU 79 Ca 0.02 0.74 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 2eki n GLU 79 Cb 0.40 -5.43 -0.14 0.00 -0.02 0.00 0.00 31.44 26.25 2eki n GLU 79 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2eki s ASP 80 N -4.14 1.24 -0.21 1.62 2.15 -1.18 -4.93 116.67 111.23 2eki s ASP 80 Ca 0.03 -0.28 -0.10 0.00 0.43 0.00 0.00 52.55 52.62 2eki s ASP 80 Cb -0.00 -0.11 -0.05 0.00 -0.30 0.00 0.00 42.92 42.46 2eki s ASP 80 CO 0.64 0.07 0.15 -0.69 -0.17 0.00 0.00 175.17 175.17 2eki s VAL 81 N -0.49 5.39 0.19 1.11 1.01 -1.25 -0.13 120.40 126.22 2eki s VAL 81 Ca 0.02 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.31 2eki s VAL 81 Cb -0.05 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2eki s VAL 81 CO 0.00 0.41 -0.21 -0.51 0.00 0.00 0.00 175.10 174.78 2eki s ILE 82 N 0.59 2.14 -0.35 2.22 2.07 -0.63 -1.84 121.20 125.40 2eki s ILE 82 Ca 0.08 -2.00 0.01 0.00 -1.41 0.00 0.00 60.65 57.33 2eki s ILE 82 Cb -0.12 -2.01 0.11 0.00 0.13 0.00 0.00 42.46 40.57 2eki s ILE 82 CO 0.00 -0.21 0.13 -1.58 -1.91 0.00 0.00 174.94 171.37 2eki s GLN 83 N -2.75 0.96 -0.31 3.50 2.00 -1.20 0.50 119.66 122.35 2eki s GLN 83 Ca 0.19 -1.41 -0.29 0.00 -2.00 0.00 0.00 55.36 51.85 2eki s GLN 83 Cb -0.07 -2.24 -0.00 0.00 0.80 0.00 0.00 33.01 31.50 2eki s GLN 83 CO 0.09 -1.02 1.37 0.42 -0.50 0.00 0.00 175.29 175.64 2eki s ILE 84 N 1.21 4.02 -0.01 -2.34 -1.09 -1.26 -3.51 121.20 118.22 2eki s ILE 84 Ca 0.12 1.13 -0.01 0.00 -2.23 0.00 0.00 60.65 59.66 2eki s ILE 84 Cb -0.19 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 2eki s ILE 84 CO -0.17 -0.51 0.08 0.68 -1.23 0.00 0.00 174.94 173.79 2eki s VAL 85 N 4.74 4.72 -0.21 2.92 -7.23 -1.18 -4.90 120.40 119.26 2eki s VAL 85 Ca 0.59 -0.38 -0.06 0.00 -1.81 0.00 0.00 61.98 60.33 2eki s VAL 85 Cb -0.17 -3.14 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 2eki s VAL 85 CO 0.26 0.38 0.02 -0.54 -0.31 0.00 0.00 175.10 174.91 2eki s LYS 86 N -1.64 3.66 0.45 4.82 1.02 -1.26 -2.11 119.74 124.68 2eki s LYS 86 Ca 0.22 -0.50 -0.16 0.00 0.02 0.00 0.00 55.97 55.55 2eki s LYS 86 Cb -0.12 -3.13 -0.14 0.00 -0.52 0.00 0.00 37.83 33.93 2eki s LYS 86 CO 0.13 0.01 -0.11 1.63 -0.92 0.00 0.00 175.35 176.09 2eki n LYS 87 N 4.26 0.00 -3.73 1.68 5.02 -0.78 -4.91 118.16 119.70 2eki n LYS 87 Ca -0.17 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 2eki n LYS 87 Cb 0.52 -0.90 -0.12 0.00 -0.02 0.00 0.00 35.03 34.51 2eki n LYS 87 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eki s SER 88 N -0.90 5.35 0.00 4.39 0.15 -1.26 -5.05 113.70 116.38 2eki s SER 88 Ca 0.51 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2eki s SER 88 Cb -0.45 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2eki s SER 88 CO 0.60 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2eki n GLY 89 N 4.78 5.96 0.00 9.45 0.00 -1.26 -5.00 105.19 119.11 2eki n GLY 89 Ca -0.10 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 0.40 -3.30 1.61 -0.04 -1.26 -4.64 135.00 127.76 2eki n PRO 90 Ca 0.00 0.05 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 2eki n PRO 90 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2eki n PRO 90 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2eki s SER 91 N -2.19 6.36 0.99 3.54 0.01 -1.26 -5.05 113.70 116.11 2eki s SER 91 Ca 0.20 0.42 -0.17 0.00 1.31 0.00 0.00 55.95 57.71 2eki s SER 91 Cb 0.10 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.98 2eki s SER 91 CO 0.20 -0.25 -0.56 -1.20 0.41 0.00 0.00 173.24 171.84 2eki n SER 92 N 5.46 -4.80 0.00 2.44 7.64 -1.26 -5.03 113.62 118.07 2eki n SER 92 Ca -0.06 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2eki n SER 92 Cb 0.50 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 2eki n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64