#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 6.24 -0.16 1.61 0.01 -1.26 -4.98 113.70 115.17 2eki s SER 2 Ca 0.00 -0.61 -0.18 0.00 1.31 0.00 0.00 55.95 56.47 2eki s SER 2 Cb 0.00 -2.46 0.05 0.00 0.21 0.00 0.00 66.02 63.82 2eki s SER 2 CO 0.00 -1.44 0.50 -0.55 0.41 0.00 0.00 173.24 172.16 2eki s SER 3 N 3.35 -0.50 -0.41 2.44 0.15 -1.26 -5.13 113.70 112.35 2eki s SER 3 Ca 0.28 0.90 -0.02 0.00 0.70 0.00 0.00 55.95 57.81 2eki s SER 3 Cb -0.13 0.92 0.11 0.00 -1.71 0.00 0.00 66.02 65.20 2eki s SER 3 CO 0.15 -0.24 0.19 -0.83 1.20 0.00 0.00 173.24 173.72 2eki s GLY 4 N -0.01 2.00 0.55 9.45 0.00 -1.26 -5.09 107.32 112.95 2eki s GLY 4 Ca -0.02 -2.55 -0.20 0.00 0.00 0.00 0.00 44.72 41.94 2eki s GLY 4 CO 0.02 1.02 0.99 -1.26 0.00 0.00 0.00 173.10 173.87 2eki n SER 5 N 4.54 0.99 -4.23 1.64 2.88 -1.26 -4.99 113.62 113.19 2eki n SER 5 Ca -0.01 0.88 -0.33 0.00 -1.33 0.00 0.00 58.87 58.07 2eki n SER 5 Cb 0.41 -1.39 -0.15 0.00 -0.75 0.00 0.00 64.21 62.33 2eki n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2eki s SER 6 N -1.07 3.54 -0.67 -3.46 1.04 -1.26 -5.05 113.70 106.78 2eki s SER 6 Ca 0.71 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.69 2eki s SER 6 Cb -0.45 -1.54 0.24 0.00 0.10 0.00 0.00 66.02 64.36 2eki s SER 6 CO 0.50 0.07 0.74 0.61 0.98 0.00 0.00 173.24 176.14 2eki n GLY 7 N 4.17 4.72 0.43 7.32 0.00 -1.26 -4.83 105.19 115.74 2eki n GLY 7 Ca -0.19 -2.75 0.12 0.00 0.00 0.00 0.00 46.02 43.19 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 1.02 0.12 -2.81 1.61 0.18 -1.26 -4.76 117.16 111.26 2eki n TYR 8 Ca 0.28 -0.06 -0.43 0.00 1.88 0.00 0.00 57.90 59.58 2eki n TYR 8 Cb 0.40 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.32 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 -1.71 4.16 0.51 -3.48 0.20 -1.26 -4.92 118.68 112.17 2eki s LEU 9 Ca 0.34 -0.77 -0.14 0.00 0.69 0.00 0.00 54.13 54.25 2eki s LEU 9 Cb 0.18 -2.53 -0.07 0.00 -0.43 0.00 0.00 46.19 43.34 2eki s LEU 9 CO 0.28 -1.45 0.94 -0.75 -0.29 0.00 0.00 176.35 175.09 2eki s LYS 10 N 4.26 3.83 -0.02 1.98 2.20 -1.26 -4.90 119.74 125.83 2eki s LYS 10 Ca 0.26 0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 56.57 2eki s LYS 10 Cb -0.15 -2.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.94 2eki s LYS 10 CO 0.13 -0.27 0.26 -0.51 -0.36 0.00 0.00 175.35 174.59 2eki s LEU 11 N -4.26 4.39 -0.32 5.43 2.01 -1.26 -1.43 118.68 123.24 2eki s LEU 11 Ca 0.56 0.59 -0.01 0.00 0.01 0.00 0.00 54.13 55.28 2eki s LEU 11 Cb -0.10 -2.53 0.11 0.00 0.01 0.00 0.00 46.19 43.67 2eki s LEU 11 CO 0.36 0.30 0.13 -0.69 1.01 0.00 0.00 176.35 177.46 2eki s VAL 12 N -1.21 0.56 0.01 -1.59 1.01 -1.05 -4.78 120.40 113.34 2eki s VAL 12 Ca 0.24 -1.34 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 2eki s VAL 12 Cb -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2eki s VAL 12 CO 0.13 -0.74 0.89 -0.13 0.00 0.00 0.00 175.10 175.25 2eki s ARG 13 N 1.60 4.55 -0.15 2.72 3.00 -1.26 -1.57 118.95 127.84 2eki s ARG 13 Ca 0.11 1.26 -0.00 0.00 0.00 0.00 0.00 55.73 57.10 2eki s ARG 13 Cb -0.18 -3.43 0.03 0.00 0.00 0.00 0.00 34.95 31.37 2eki s ARG 13 CO -0.24 0.06 -0.07 0.42 0.00 0.00 0.00 175.30 175.47 2eki s ILE 14 N 0.68 1.16 -0.61 1.52 -1.09 -0.66 0.63 121.20 122.83 2eki s ILE 14 Ca 0.46 -0.55 -0.25 0.00 -2.23 0.00 0.00 60.65 58.08 2eki s ILE 14 Cb -0.21 -1.26 0.05 0.00 -1.58 0.00 0.00 42.46 39.46 2eki s ILE 14 CO 0.25 0.23 1.02 -0.31 -1.23 0.00 0.00 174.94 174.91 2eki s TYR 15 N 1.63 2.67 0.32 3.97 2.02 -0.18 -1.88 117.35 125.89 2eki s TYR 15 Ca 0.02 -0.12 -0.29 0.00 -0.37 0.00 0.00 57.07 56.31 2eki s TYR 15 Cb -0.14 -4.26 -0.11 0.00 -0.40 0.00 0.00 41.96 37.05 2eki s TYR 15 CO -0.08 -1.57 1.45 -0.08 -1.57 0.00 0.00 175.55 173.70 2eki s THR 16 N 4.35 2.37 -0.49 -0.71 -1.32 -1.26 -2.08 115.64 116.49 2eki s THR 16 Ca 0.30 0.35 0.03 0.00 -1.21 0.00 0.00 61.69 61.16 2eki s THR 16 Cb -0.13 -3.22 0.13 0.00 -1.51 0.00 0.00 72.50 67.77 2eki s THR 16 CO 0.17 0.07 0.24 -0.75 -2.21 0.00 0.00 174.62 172.14 2eki s LYS 17 N -1.32 1.96 0.12 7.08 2.20 0.15 -3.60 119.74 126.32 2eki s LYS 17 Ca 0.55 -2.42 -0.31 0.00 -0.36 0.00 0.00 55.97 53.43 2eki s LYS 17 Cb -0.44 -3.37 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 2eki s LYS 17 CO 0.53 -1.08 1.35 -1.25 -0.36 0.00 0.00 175.35 174.54 2eki s PRO 18 N 0.06 4.34 -0.18 4.03 0.04 -1.26 -4.31 135.00 137.71 2eki s PRO 18 Ca 0.15 2.03 -0.34 0.00 0.04 0.00 0.00 61.00 62.88 2eki s PRO 18 Cb -0.24 -3.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.94 2eki s PRO 18 CO -0.02 -0.39 1.97 0.36 0.04 0.00 0.00 177.00 178.96 2eki n LYS 19 N 3.75 1.81 0.00 4.56 -0.00 -1.26 -2.13 118.16 124.88 2eki n LYS 19 Ca 0.10 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 59.03 2eki n LYS 19 Cb 0.43 -2.61 0.00 0.00 -0.00 0.00 0.00 35.03 32.84 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 5.01 2.93 3.97 2.58 0.00 -1.26 -5.04 105.19 113.38 2eki n GLY 20 Ca 0.28 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 1.48 0.19 1.61 2.00 -0.91 -5.09 119.66 118.94 2eki s GLN 21 Ca 0.00 -0.88 -0.07 0.00 -2.00 0.00 0.00 55.36 52.40 2eki s GLN 21 Cb 0.00 -2.21 -0.06 0.00 0.80 0.00 0.00 33.01 31.54 2eki s GLN 21 CO 0.00 -1.65 0.46 -0.51 -0.50 0.00 0.00 175.29 173.10 2eki s LEU 22 N -5.32 4.22 -0.23 3.68 1.43 -1.26 -4.44 118.68 116.76 2eki s LEU 22 Ca 0.67 0.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.25 2eki s LEU 22 Cb -0.05 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 2eki s LEU 22 CO 0.46 -0.01 1.62 -2.16 0.23 0.00 0.00 176.35 176.50 2eki s PRO 23 N -2.72 3.76 0.73 1.29 0.04 -1.26 -4.69 135.00 132.16 2eki s PRO 23 Ca 0.44 1.62 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 2eki s PRO 23 Cb -0.12 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 2eki s PRO 23 CO 0.23 -1.34 0.41 -0.25 0.04 0.00 0.00 177.00 176.08 2eki n ASP 24 N 8.58 -1.67 0.00 6.66 8.00 -1.24 -4.94 116.55 131.95 2eki n ASP 24 Ca 0.19 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.25 2eki n ASP 24 Cb 0.45 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 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 -2.40 0.00 0.00 1.24 4.01 -1.26 -4.66 117.16 114.09 2eki n TYR 25 Ca 0.09 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2eki n TYR 25 Cb 0.50 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 2eki n TYR 25 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2eki n THR 26 N -0.15 0.00 -2.41 -0.72 -2.24 -1.26 -4.77 114.28 102.73 2eki n THR 26 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2eki n THR 26 Cb 0.29 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.33 4.63 -4.73 3.42 2.88 -1.26 -5.08 113.62 112.15 2eki n SER 27 Ca 0.00 -3.69 -0.30 0.00 -1.33 0.00 0.00 58.87 53.55 2eki n SER 27 Cb 0.03 -0.44 0.12 0.00 -0.75 0.00 0.00 64.21 63.17 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 -3.54 1.60 -0.46 -1.46 0.04 -1.26 -4.94 135.00 124.97 2eki s PRO 28 Ca 0.48 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 2eki s PRO 28 Cb 0.40 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 33.21 2eki s PRO 28 CO -0.15 -2.04 0.35 0.54 0.04 0.00 0.00 177.00 175.74 2eki s VAL 29 N -2.93 4.49 -0.62 -0.36 0.11 -0.79 -4.90 120.40 115.41 2eki s VAL 29 Ca 0.63 -1.53 -0.21 0.00 -2.93 0.00 0.00 61.98 57.94 2eki s VAL 29 Cb -0.18 -3.84 0.09 0.00 -1.53 0.00 0.00 36.38 30.92 2eki s VAL 29 CO 0.57 -0.68 0.82 0.54 -3.33 0.00 0.00 175.10 173.02 2eki s VAL 30 N 1.45 4.59 0.27 2.04 0.11 -1.26 -1.65 120.40 125.95 2eki s VAL 30 Ca 0.04 -0.69 -0.07 0.00 -2.93 0.00 0.00 61.98 58.33 2eki s VAL 30 Cb -0.26 -4.57 -0.06 0.00 -1.53 0.00 0.00 36.38 29.96 2eki s VAL 30 CO 0.02 -1.27 0.57 -0.76 -3.33 0.00 0.00 175.10 170.33 2eki s LEU 31 N 3.31 4.09 0.01 2.54 1.43 -0.61 -4.82 118.68 124.64 2eki s LEU 31 Ca 0.16 0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 53.80 2eki s LEU 31 Cb -0.21 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.32 2eki s LEU 31 CO 0.08 -0.16 1.44 -2.16 0.23 0.00 0.00 176.35 175.79 2eki s PRO 32 N -3.25 4.27 0.14 1.29 0.04 -1.26 -2.51 135.00 133.72 2eki s PRO 32 Ca 0.46 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.26 2eki s PRO 32 Cb -0.11 -3.57 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 2eki s PRO 32 CO 0.26 -0.60 1.37 0.98 0.04 0.00 0.00 177.00 179.05 2eki n TYR 33 N 5.37 -0.38 -0.27 0.56 4.19 -0.52 1.00 117.16 127.12 2eki n TYR 33 Ca 0.13 1.07 0.26 0.00 3.31 0.00 0.00 57.90 62.67 2eki n TYR 33 Cb 0.43 -0.57 0.46 0.00 0.49 0.00 0.00 39.34 40.16 2eki n TYR 33 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2eki n SER 34 N -5.01 0.24 -3.80 2.98 2.88 -1.26 -2.44 113.62 107.21 2eki n SER 34 Ca 0.02 1.22 -0.30 0.00 -1.33 0.00 0.00 58.87 58.48 2eki n SER 34 Cb 0.22 -0.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.95 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 -5.09 1.51 -0.17 -1.46 1.81 0.28 -5.06 118.95 110.77 2eki s ARG 35 Ca -0.07 -2.19 -0.04 0.00 -1.72 0.00 0.00 55.73 51.72 2eki s ARG 35 Cb 0.25 -2.67 0.06 0.00 -0.45 0.00 0.00 34.95 32.14 2eki s ARG 35 CO 0.60 -1.14 0.08 0.95 -0.68 0.00 0.00 175.30 175.11 2eki s THR 36 N 0.18 0.04 -0.23 0.02 -4.23 -1.02 -4.06 115.64 106.33 2eki s THR 36 Ca 0.17 -0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.20 2eki s THR 36 Cb -0.25 -0.65 0.11 0.00 1.34 0.00 0.00 72.50 73.05 2eki s THR 36 CO -0.00 -0.24 0.92 0.42 -0.54 0.00 0.00 174.62 175.18 2eki s THR 37 N 2.08 0.00 0.33 3.99 -4.23 -1.26 -3.85 115.64 112.69 2eki s THR 37 Ca 0.02 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.79 2eki s THR 37 Cb -0.16 -1.00 0.40 0.00 1.34 0.00 0.00 72.50 73.08 2eki s THR 37 CO -0.08 0.00 1.10 0.52 -0.54 0.00 0.00 174.62 175.61 2eki n VAL 38 N 1.93 -0.13 0.00 2.29 0.31 -0.86 0.17 118.33 122.05 2eki n VAL 38 Ca -0.13 1.21 -0.12 0.00 -0.01 0.00 0.00 64.34 65.29 2eki n VAL 38 Cb 0.56 -2.00 -0.09 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.09 -1.04 5.55 4.11 -1.82 -2.85 114.58 118.44 2eki h GLU 39 Ca 0.63 0.01 0.27 0.00 0.07 0.00 0.00 59.36 60.33 2eki h GLU 39 Cb 2.16 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 31.32 2eki h GLU 39 CO -0.25 0.47 0.64 0.22 0.07 0.00 0.00 179.01 180.16 2eki h ASP 40 N -0.75 0.54 -0.24 3.06 1.82 0.15 0.12 116.42 121.12 2eki h ASP 40 Ca -0.01 0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 2eki h ASP 40 Cb 0.60 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 2eki h ASP 40 CO 0.02 0.07 -0.18 0.15 -1.61 0.00 0.00 179.24 177.69 2eki h PHE 41 N 0.46 0.64 -0.99 0.28 3.04 -1.43 -3.09 116.94 115.85 2eki h PHE 41 Ca 0.63 -0.18 0.19 0.00 3.98 0.00 0.00 57.97 62.60 2eki h PHE 41 Cb 1.44 -0.14 -0.10 0.00 2.56 0.00 0.00 35.95 39.71 2eki h PHE 41 CO -0.00 0.85 0.61 0.00 -2.02 0.00 0.00 178.31 177.75 2eki h MET 43 N 0.70 0.85 -0.50 0.00 2.86 -1.36 -0.66 114.93 116.83 2eki h MET 43 Ca 0.56 -0.05 0.14 0.00 -2.06 0.00 0.00 59.70 58.29 2eki h MET 43 Cb 0.95 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2eki h MET 43 CO -0.33 0.57 0.55 0.87 1.06 0.00 0.00 176.91 179.62 2eki h LYS 44 N 0.88 0.00 0.00 1.72 1.79 -1.00 -3.08 116.57 116.88 2eki h LYS 44 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2eki h LYS 44 Cb -0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2eki h LYS 44 CO -0.08 0.00 -0.20 -0.89 -1.08 0.00 0.00 179.45 177.19 2eki n ILE 45 N -3.65 0.39 -3.62 1.86 2.08 -0.49 -4.99 119.36 110.94 2eki n ILE 45 Ca 0.10 0.41 -0.20 0.00 0.56 0.00 0.00 62.75 63.62 2eki n ILE 45 Cb 0.74 -1.73 -0.16 0.00 -0.75 0.00 0.00 39.64 37.74 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 -1.43 -0.07 0.66 1.39 2.46 -0.38 -5.00 115.29 112.92 2eki s HIS 46 Ca -0.06 0.26 0.26 0.00 0.47 0.00 0.00 55.06 55.99 2eki s HIS 46 Cb 0.01 -0.42 1.41 0.00 -0.13 0.00 0.00 32.58 33.45 2eki s HIS 46 CO 0.09 -0.38 1.80 -0.22 -2.47 0.00 0.00 174.74 173.56 2eki h LYS 47 N 8.38 0.00 -0.58 2.88 3.11 -1.78 0.67 116.57 129.25 2eki h LYS 47 Ca -0.14 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.39 2eki h LYS 47 Cb 1.13 0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 32.18 2eki h LYS 47 CO 0.21 0.00 0.15 0.09 -2.81 0.00 0.00 179.45 177.09 2eki n ASN 48 N -2.93 3.02 -0.11 4.20 3.02 -1.26 -4.58 115.26 116.61 2eki n ASN 48 Ca -0.00 -3.74 -0.20 0.00 -0.03 0.00 0.00 54.58 50.60 2eki n ASN 48 Cb 0.50 -0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2eki n LEU 49 N -1.12 1.88 -0.48 3.41 7.94 0.23 -4.27 117.00 124.60 2eki n LEU 49 Ca 0.43 0.43 0.39 0.00 -1.11 0.00 0.00 56.01 56.15 2eki n LEU 49 Cb 1.23 -0.90 0.63 0.00 0.53 0.00 0.00 43.42 44.92 2eki n LEU 49 CO 0.34 0.19 1.15 0.00 -1.11 0.00 0.00 177.39 177.95 2eki n ILE 50 N -4.42 -0.16 -0.11 1.96 0.13 -1.26 0.18 119.36 115.69 2eki n ILE 50 Ca -0.33 1.50 -0.09 0.00 -1.10 0.00 0.00 62.75 62.74 2eki n ILE 50 Cb 0.66 -2.47 -0.01 0.00 -0.84 0.00 0.00 39.64 36.97 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 0.47 0.00 9.51 1.57 -1.89 -2.76 116.57 123.46 2eki h LYS 51 Ca 0.79 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.48 2eki h LYS 51 Cb 2.75 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.95 2eki h LYS 51 CO -0.29 0.35 -0.61 0.93 -0.57 0.00 0.00 179.45 179.27 2eki h GLU 52 N 0.44 0.00 -6.22 3.15 4.39 0.17 -3.47 114.58 113.05 2eki h GLU 52 Ca 0.12 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.12 2eki h GLU 52 Cb 0.01 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2eki h GLU 52 CO -0.02 0.15 0.39 0.34 -1.16 0.00 0.00 179.01 178.71 2eki n PHE 53 N -2.98 1.36 -0.03 4.33 7.35 0.76 -0.22 117.46 128.04 2eki n PHE 53 Ca 0.00 0.71 -0.04 0.00 -0.76 0.00 0.00 57.45 57.37 2eki n PHE 53 Cb 0.63 -2.29 -0.01 0.00 0.35 0.00 0.00 39.48 38.15 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 2.36 0.24 -4.00 -4.13 4.81 0.15 -4.71 118.16 112.88 2eki n LYS 54 Ca 0.19 0.09 -0.11 0.00 -0.87 0.00 0.00 58.31 57.61 2eki n LYS 54 Cb 0.17 -0.87 -0.04 0.00 0.02 0.00 0.00 35.03 34.31 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 -2.05 0.54 -0.02 5.64 -0.85 -1.23 -4.86 117.35 114.52 2eki s TYR 55 Ca -0.13 -0.91 0.02 0.00 -0.52 0.00 0.00 57.07 55.53 2eki s TYR 55 Cb 0.02 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.57 2eki s TYR 55 CO 0.19 -1.12 -0.06 0.00 -1.52 0.00 0.00 175.55 173.04 2eki s ALA 56 N -3.47 0.63 -0.84 9.51 0.00 -0.69 -2.91 121.76 123.99 2eki s ALA 56 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 2eki s ALA 56 Cb -0.01 -0.27 0.22 0.00 0.00 0.00 0.00 23.12 23.06 2eki s ALA 56 CO 0.13 0.08 0.75 -0.51 0.00 0.00 0.00 175.76 176.22 2eki s LEU 57 N 0.29 6.10 0.27 0.00 1.43 -1.20 -0.85 118.68 124.72 2eki s LEU 57 Ca -0.04 -3.09 -0.29 0.00 -1.03 0.00 0.00 54.13 49.68 2eki s LEU 57 Cb -0.08 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 43.98 2eki s LEU 57 CO 0.00 -0.40 1.20 -0.69 0.23 0.00 0.00 176.35 176.69 2eki s VAL 58 N -0.43 3.22 -0.46 -1.59 1.01 -1.20 -3.60 120.40 117.34 2eki s VAL 58 Ca 0.22 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.39 2eki s VAL 58 Cb -0.12 -3.74 0.13 0.00 0.00 0.00 0.00 36.38 32.65 2eki s VAL 58 CO -0.08 0.25 0.24 0.26 0.00 0.00 0.00 175.10 175.77 2eki s TRP 59 N -0.84 2.45 -0.66 5.22 0.51 0.44 -3.54 118.94 122.52 2eki s TRP 59 Ca 0.49 -2.70 0.00 0.00 -2.12 0.00 0.00 56.10 51.77 2eki s TRP 59 Cb -0.35 -2.25 0.00 0.00 -0.81 0.00 0.00 33.47 30.06 2eki s TRP 59 CO 0.44 -0.77 0.00 0.41 -0.51 0.00 0.00 176.95 176.52 2eki n GLY 60 N 3.42 -0.56 0.24 0.98 0.00 -1.26 -3.61 105.19 104.41 2eki n GLY 60 Ca 0.07 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.78 -0.90 0.99 4.07 -1.95 -3.00 115.31 115.29 2eki h LEU 61 Ca 0.00 -0.27 0.33 0.00 0.08 0.00 0.00 57.88 58.02 2eki h LEU 61 Cb 0.00 -0.21 -0.11 0.00 1.08 0.00 0.00 40.66 41.42 2eki h LEU 61 CO 0.00 0.86 0.55 -0.24 -1.08 0.00 0.00 178.44 178.53 2eki n SER 62 N -4.41 0.19 -4.49 -0.43 2.88 -1.26 -4.10 113.62 102.00 2eki n SER 62 Ca 0.01 1.09 -0.31 0.00 -1.33 0.00 0.00 58.87 58.33 2eki n SER 62 Cb 0.27 -0.53 -0.12 0.00 -0.75 0.00 0.00 64.21 63.07 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 -4.92 3.01 0.02 2.46 -7.23 -1.13 -5.04 120.40 107.56 2eki s VAL 63 Ca -0.06 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 58.84 2eki s VAL 63 Cb 0.23 -2.28 -0.24 0.00 0.56 0.00 0.00 36.38 34.66 2eki s VAL 63 CO 0.59 0.35 1.12 0.11 -0.31 0.00 0.00 175.10 176.96 2eki h LYS 64 N 4.52 0.49 -4.33 4.82 6.56 -1.82 -3.44 116.57 123.37 2eki h LYS 64 Ca -0.48 -0.53 -0.59 0.00 -1.06 0.00 0.00 60.65 57.99 2eki h LYS 64 Cb 1.16 0.15 -0.38 0.00 -0.57 0.00 0.00 32.23 32.59 2eki h LYS 64 CO 0.49 1.17 -0.79 -1.01 -2.06 0.00 0.00 179.45 177.25 2eki s HIS 65 N -3.22 2.16 0.17 -1.35 3.76 -1.26 -5.09 115.29 110.46 2eki s HIS 65 Ca -0.12 -1.49 0.07 0.00 -0.15 0.00 0.00 55.06 53.36 2eki s HIS 65 Cb 0.04 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 2eki s HIS 65 CO 0.85 -0.72 0.01 0.54 -0.85 0.00 0.00 174.74 174.57 2eki s ASN 66 N 1.48 4.84 0.40 1.40 4.22 -1.26 -3.62 114.94 122.40 2eki s ASN 66 Ca -0.03 -0.36 -0.25 0.00 -2.14 0.00 0.00 52.86 50.08 2eki s ASN 66 Cb -0.17 -1.06 -0.08 0.00 1.28 0.00 0.00 41.25 41.22 2eki s ASN 66 CO -0.07 0.09 1.19 -2.16 -2.04 0.00 0.00 177.10 174.11 2eki s PRO 67 N -2.92 4.03 -0.10 3.55 0.04 -1.26 -5.12 135.00 133.23 2eki s PRO 67 Ca 0.28 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.22 2eki s PRO 67 Cb -0.09 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2eki s PRO 67 CO 0.19 -0.35 -0.18 -1.14 0.04 0.00 0.00 177.00 175.56 2eki s GLN 68 N -2.30 3.06 -0.23 4.56 0.74 -1.23 -4.99 119.66 119.27 2eki s GLN 68 Ca 0.57 -0.77 -0.29 0.00 0.05 0.00 0.00 55.36 54.92 2eki s GLN 68 Cb -0.32 -2.45 -0.00 0.00 1.10 0.00 0.00 33.01 31.35 2eki s GLN 68 CO 0.40 0.29 1.23 0.21 -0.55 0.00 0.00 175.29 176.86 2eki s LYS 69 N 0.12 4.12 0.39 1.67 2.47 -1.26 -3.23 119.74 124.02 2eki s LYS 69 Ca -0.09 1.43 0.06 0.00 -1.56 0.00 0.00 55.97 55.81 2eki s LYS 69 Cb -0.15 -3.78 -0.07 0.00 -1.46 0.00 0.00 37.83 32.36 2eki s LYS 69 CO 0.05 -0.85 0.02 0.14 0.16 0.00 0.00 175.35 174.88 2eki s VAL 70 N 3.75 1.75 0.00 4.02 -7.23 -0.03 -4.93 120.40 117.73 2eki s VAL 70 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2eki s VAL 70 Cb -0.18 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2eki s VAL 70 CO 0.16 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2eki n GLY 71 N -0.90 3.29 0.06 2.32 0.00 -1.26 -1.70 105.19 107.00 2eki n GLY 71 Ca -0.05 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.24 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 0.65 0.18 1.61 -0.00 -1.26 -4.15 118.16 115.19 2eki n LYS 72 Ca 0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 58.31 58.38 2eki n LYS 72 Cb 0.00 -1.63 0.10 0.00 -0.00 0.00 0.00 35.03 33.51 2eki n LYS 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2eki h ASP 73 N 0.00 0.00 -1.48 -5.58 3.32 -1.96 -2.94 116.42 107.77 2eki h ASP 73 Ca -0.17 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.21 2eki h ASP 73 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 2eki h ASP 73 CO 0.02 0.18 1.20 1.57 -1.72 0.00 0.00 179.24 180.49 2eki n HIS 74 N -3.11 1.93 -2.15 4.55 -0.00 -1.26 -4.76 115.22 110.42 2eki n HIS 74 Ca 0.03 0.26 -0.42 0.00 -0.00 0.00 0.00 57.72 57.58 2eki n HIS 74 Cb 0.61 -2.55 -0.03 0.00 -0.00 0.00 0.00 29.99 28.01 2eki n HIS 74 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2eki s THR 75 N 5.49 3.36 0.44 3.57 2.01 -1.26 -2.03 115.64 127.22 2eki s THR 75 Ca 1.02 0.92 -0.22 0.00 0.31 0.00 0.00 61.69 63.72 2eki s THR 75 Cb -0.86 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 2eki s THR 75 CO 0.54 0.05 1.04 -0.76 -0.69 0.00 0.00 174.62 174.80 2eki s LEU 76 N 1.55 4.00 -0.02 4.42 1.43 -1.25 -4.91 118.68 123.90 2eki s LEU 76 Ca 0.65 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.79 2eki s LEU 76 Cb -0.36 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.46 2eki s LEU 76 CO 0.30 -0.63 -0.16 -1.61 0.23 0.00 0.00 176.35 174.47 2eki s GLU 77 N -2.86 2.35 0.57 1.70 2.02 -1.26 -4.87 118.70 116.35 2eki s GLU 77 Ca 0.62 -0.80 -0.19 0.00 0.02 0.00 0.00 54.97 54.62 2eki s GLU 77 Cb -0.19 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.69 2eki s GLU 77 CO 0.24 0.59 0.94 -0.40 0.02 0.00 0.00 175.26 176.65 2eki n ASP 78 N 2.11 0.71 -3.74 -0.19 5.68 -1.26 -2.88 116.55 116.98 2eki n ASP 78 Ca -0.17 0.83 -0.25 0.00 -0.50 0.00 0.00 54.79 54.71 2eki n ASP 78 Cb 0.52 -1.37 0.02 0.00 -1.14 0.00 0.00 41.12 39.15 2eki n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2eki n GLU 79 N -0.77 -3.28 -4.02 0.11 1.02 0.21 -4.83 120.64 109.07 2eki n GLU 79 Ca 0.13 0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 2eki n GLU 79 Cb 0.46 -4.73 -0.13 0.00 -0.02 0.00 0.00 31.44 27.02 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 -4.07 0.39 -0.10 1.62 -1.08 -1.07 -4.90 116.67 107.46 2eki s ASP 80 Ca 0.16 -0.18 -0.10 0.00 -0.52 0.00 0.00 52.55 51.91 2eki s ASP 80 Cb -0.05 -0.01 -0.05 0.00 -1.46 0.00 0.00 42.92 41.36 2eki s ASP 80 CO 0.84 -0.04 0.22 -0.69 0.52 0.00 0.00 175.17 176.02 2eki s VAL 81 N -0.44 5.37 0.05 1.11 1.01 -1.24 -1.01 120.40 125.25 2eki s VAL 81 Ca -0.03 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2eki s VAL 81 Cb -0.04 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2eki s VAL 81 CO -0.00 0.57 -0.07 -0.51 0.00 0.00 0.00 175.10 175.09 2eki s ILE 82 N -0.78 0.53 -0.19 2.22 2.07 -0.89 -0.42 121.20 123.74 2eki s ILE 82 Ca 0.17 -1.15 0.01 0.00 -1.41 0.00 0.00 60.65 58.27 2eki s ILE 82 Cb -0.13 -0.68 0.03 0.00 0.13 0.00 0.00 42.46 41.80 2eki s ILE 82 CO 0.06 -0.43 -0.17 -1.58 -1.91 0.00 0.00 174.94 170.90 2eki s GLN 83 N -1.78 2.75 -0.47 3.50 0.74 -1.24 0.29 119.66 123.46 2eki s GLN 83 Ca -0.08 -0.91 -0.22 0.00 0.05 0.00 0.00 55.36 54.19 2eki s GLN 83 Cb -0.09 -2.59 0.03 0.00 1.10 0.00 0.00 33.01 31.46 2eki s GLN 83 CO -0.00 -0.29 0.76 0.42 -0.55 0.00 0.00 175.29 175.62 2eki s ILE 84 N 1.27 4.68 -0.19 -2.34 -1.09 -1.26 -3.22 121.20 119.04 2eki s ILE 84 Ca 0.02 0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.63 2eki s ILE 84 Cb -0.15 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 2eki s ILE 84 CO -0.11 -0.76 0.01 0.54 -1.23 0.00 0.00 174.94 173.40 2eki s VAL 85 N 3.21 4.18 -0.08 2.92 0.11 -1.15 -4.85 120.40 124.75 2eki s VAL 85 Ca 0.27 -0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 58.94 2eki s VAL 85 Cb -0.13 -2.88 -0.05 0.00 -1.53 0.00 0.00 36.38 31.78 2eki s VAL 85 CO 0.20 0.44 0.34 -0.54 -3.33 0.00 0.00 175.10 172.22 2eki s LYS 86 N 0.75 4.02 0.54 1.54 1.02 -1.26 0.31 119.74 126.66 2eki s LYS 86 Ca 0.01 0.24 -0.15 0.00 0.02 0.00 0.00 55.97 56.10 2eki s LYS 86 Cb -0.14 -3.31 -0.12 0.00 -0.52 0.00 0.00 37.83 33.74 2eki s LYS 86 CO 0.02 0.49 -0.28 1.63 -0.92 0.00 0.00 175.35 176.29 2eki n LYS 87 N 2.66 0.00 -0.93 1.68 5.02 0.70 -4.79 118.16 122.50 2eki n LYS 87 Ca -0.13 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.81 2eki n LYS 87 Cb 0.52 -0.82 0.07 0.00 -0.02 0.00 0.00 35.03 34.78 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 2.31 -4.53 -4.77 4.39 7.64 -1.26 -4.96 113.62 112.44 2eki n SER 88 Ca 0.04 0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.79 2eki n SER 88 Cb 0.41 -0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.32 2.00 0.51 0.23 0.00 -1.26 -5.10 107.32 102.38 2eki s GLY 89 Ca 0.45 -0.91 -0.21 0.00 0.00 0.00 0.00 44.72 44.05 2eki s GLY 89 CO 0.76 -0.81 1.15 2.56 0.00 0.00 0.00 173.10 176.76 2eki s PRO 90 N -1.84 3.53 -0.24 2.90 0.04 -1.26 -5.00 135.00 133.13 2eki s PRO 90 Ca 0.24 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 2eki s PRO 90 Cb -0.12 -2.18 -0.12 0.00 0.04 0.00 0.00 34.50 32.13 2eki s PRO 90 CO 0.15 -0.72 -0.26 -1.13 0.04 0.00 0.00 177.00 175.07 2eki n SER 91 N -0.95 1.93 0.03 6.66 3.41 -1.26 -4.92 113.62 118.52 2eki n SER 91 Ca 0.10 0.36 -0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2eki n SER 91 Cb 0.50 -0.83 -0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2eki n SER 91 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2eki n SER 92 N -4.33 0.66 0.00 4.04 7.64 -1.26 -5.38 113.62 114.99 2eki n SER 92 Ca -0.42 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2eki n SER 92 Cb 0.76 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2eki n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64