#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eki h SER 2 N 0.00 -0.43 -3.32 1.61 0.02 -2.04 -3.41 113.55 105.98 2eki h SER 2 Ca 0.00 0.08 -0.65 0.00 -0.84 0.00 0.00 61.79 60.38 2eki h SER 2 Cb 0.00 0.20 -0.25 0.00 0.14 0.00 0.00 62.40 62.49 2eki h SER 2 CO 0.00 -0.19 -0.73 -0.55 -1.14 0.00 0.00 176.83 174.22 2eki s SER 3 N -5.06 4.28 0.35 3.07 0.15 -1.26 -5.04 113.70 110.21 2eki s SER 3 Ca -0.14 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2eki s SER 3 Cb 0.10 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2eki s SER 3 CO 0.67 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.87 2eki n GLY 4 N 3.70 1.90 2.98 9.45 0.00 -1.26 -4.35 105.19 117.61 2eki n GLY 4 Ca -0.18 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.00 3.47 0.93 1.61 0.15 -1.26 -4.69 113.70 109.91 2eki s SER 5 Ca 0.00 -0.94 -0.11 0.00 0.70 0.00 0.00 55.95 55.60 2eki s SER 5 Cb 0.00 -1.22 0.15 0.00 -1.71 0.00 0.00 66.02 63.24 2eki s SER 5 CO 0.00 -0.16 1.10 -0.44 1.20 0.00 0.00 173.24 174.93 2eki s SER 6 N 1.40 3.02 0.00 5.45 0.01 -1.26 -4.77 113.70 117.54 2eki s SER 6 Ca -0.02 1.75 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2eki s SER 6 Cb -0.17 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2eki s SER 6 CO -0.08 -2.96 0.00 0.61 0.41 0.00 0.00 173.24 171.22 2eki n GLY 7 N -0.41 -0.40 0.37 3.44 0.00 -1.26 -4.96 105.19 101.96 2eki n GLY 7 Ca 0.08 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.13 0.21 -1.53 1.61 0.18 -1.26 -4.86 117.16 111.38 2eki n TYR 8 Ca 0.00 -0.11 -0.31 0.00 1.88 0.00 0.00 57.90 59.37 2eki n TYR 8 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 2eki n TYR 8 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 2eki n LEU 9 N 0.02 1.08 -4.90 -3.48 -0.00 -1.26 -4.90 117.00 103.56 2eki n LEU 9 Ca 0.11 -0.53 -0.28 0.00 -0.00 0.00 0.00 56.01 55.31 2eki n LEU 9 Cb 0.20 -1.26 0.04 0.00 -0.00 0.00 0.00 43.42 42.41 2eki n LEU 9 CO 0.08 -1.54 0.65 -0.75 -0.00 0.00 0.00 177.39 175.84 2eki s LYS 10 N 8.43 2.84 -0.11 1.96 2.20 -1.26 -4.95 119.74 128.85 2eki s LYS 10 Ca 1.13 0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 56.96 2eki s LYS 10 Cb -0.57 -2.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2eki s LYS 10 CO 0.33 -0.91 -0.08 -0.51 -0.36 0.00 0.00 175.35 173.82 2eki s LEU 11 N -5.20 1.23 -0.10 5.43 2.01 -1.26 -2.03 118.68 118.76 2eki s LEU 11 Ca 0.56 -0.30 -0.02 0.00 0.01 0.00 0.00 54.13 54.39 2eki s LEU 11 Cb -0.11 -0.83 -0.03 0.00 0.01 0.00 0.00 46.19 45.23 2eki s LEU 11 CO 0.49 -0.10 -0.01 0.68 1.01 0.00 0.00 176.35 178.42 2eki s VAL 12 N 1.57 4.22 -0.15 -1.59 -7.23 -1.14 -4.99 120.40 111.09 2eki s VAL 12 Ca 0.02 -0.28 -0.10 0.00 -1.81 0.00 0.00 61.98 59.82 2eki s VAL 12 Cb -0.13 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 2eki s VAL 12 CO -0.07 0.59 0.17 -0.13 -0.31 0.00 0.00 175.10 175.35 2eki s ARG 13 N -0.67 3.90 -0.20 4.82 3.00 -1.26 -2.32 118.95 126.21 2eki s ARG 13 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 55.73 55.74 2eki s ARG 13 Cb -0.12 -3.32 0.05 0.00 0.00 0.00 0.00 34.95 31.56 2eki s ARG 13 CO 0.02 0.50 -0.08 0.42 0.00 0.00 0.00 175.30 176.16 2eki s ILE 14 N -0.24 1.53 -0.70 1.52 -1.09 -1.14 -0.52 121.20 120.57 2eki s ILE 14 Ca 0.13 -1.01 -0.25 0.00 -2.23 0.00 0.00 60.65 57.29 2eki s ILE 14 Cb -0.12 -1.68 0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2eki s ILE 14 CO 0.02 0.09 1.12 -0.31 -1.23 0.00 0.00 174.94 174.63 2eki s TYR 15 N 1.43 2.48 0.31 3.97 2.02 0.01 -2.90 117.35 124.67 2eki s TYR 15 Ca -0.02 -0.31 -0.28 0.00 -0.37 0.00 0.00 57.07 56.09 2eki s TYR 15 Cb -0.17 -4.46 -0.09 0.00 -0.40 0.00 0.00 41.96 36.84 2eki s TYR 15 CO -0.08 -1.86 1.04 -0.08 -1.57 0.00 0.00 175.55 173.00 2eki s THR 16 N 4.89 3.73 -0.25 -0.71 -1.32 -1.26 -2.31 115.64 118.41 2eki s THR 16 Ca 0.29 1.58 -0.07 0.00 -1.21 0.00 0.00 61.69 62.27 2eki s THR 16 Cb -0.12 -3.94 -0.03 0.00 -1.51 0.00 0.00 72.50 66.89 2eki s THR 16 CO 0.12 0.26 0.08 -0.75 -2.21 0.00 0.00 174.62 172.12 2eki s LYS 17 N -1.77 3.68 0.44 7.08 2.20 -0.28 -2.78 119.74 128.31 2eki s LYS 17 Ca 0.48 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.55 2eki s LYS 17 Cb -0.27 -3.34 0.11 0.00 -1.51 0.00 0.00 37.83 32.82 2eki s LYS 17 CO 0.34 -0.18 0.39 -0.35 -0.36 0.00 0.00 175.35 175.19 2eki n PRO 18 N 4.90 -1.79 -3.52 4.03 -0.04 -1.26 -4.38 135.00 132.95 2eki n PRO 18 Ca -0.16 -0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 62.27 2eki n PRO 18 Cb 0.51 -0.58 -0.10 0.00 -0.04 0.00 0.00 33.50 33.29 2eki n PRO 18 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2eki s LYS 19 N -3.88 3.15 0.00 0.54 0.00 -1.26 -4.31 119.74 113.99 2eki s LYS 19 Ca 0.25 -0.88 0.00 0.00 0.00 0.00 0.00 55.97 55.34 2eki s LYS 19 Cb -0.02 -3.86 0.00 0.00 0.00 0.00 0.00 37.83 33.95 2eki s LYS 19 CO 0.19 -0.62 0.00 0.41 0.00 0.00 0.00 175.35 175.34 2eki n GLY 20 N 5.11 2.70 3.87 0.59 0.00 -1.26 -4.99 105.19 111.20 2eki n GLY 20 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.27 2.25 0.28 1.61 -0.21 -1.26 -5.13 119.66 116.93 2eki s GLN 21 Ca 0.00 -2.05 -0.12 0.00 0.02 0.00 0.00 55.36 53.21 2eki s GLN 21 Cb 0.00 -2.01 -0.08 0.00 1.00 0.00 0.00 33.01 31.92 2eki s GLN 21 CO 0.00 -0.53 0.64 -0.51 -2.12 0.00 0.00 175.29 172.77 2eki s LEU 22 N -4.19 4.11 0.09 2.90 1.43 -1.26 -4.33 118.68 117.43 2eki s LEU 22 Ca 0.30 1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.18 2eki s LEU 22 Cb -0.01 -3.87 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 2eki s LEU 22 CO 0.19 -0.15 1.38 -2.16 0.23 0.00 0.00 176.35 175.84 2eki s PRO 23 N -2.94 4.32 0.11 1.29 0.04 -1.26 -4.40 135.00 132.16 2eki s PRO 23 Ca 0.51 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 2eki s PRO 23 Cb -0.11 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 2eki s PRO 23 CO 0.20 -0.45 1.69 -0.51 0.04 0.00 0.00 177.00 177.97 2eki s ASP 24 N 1.28 6.53 0.00 6.66 1.01 -1.12 -4.87 116.67 126.17 2eki s ASP 24 Ca 0.64 2.61 0.06 0.00 0.71 0.00 0.00 52.55 56.57 2eki s ASP 24 Cb -0.35 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 40.98 2eki s ASP 24 CO 0.29 -0.92 0.35 -1.22 0.21 0.00 0.00 175.17 173.89 2eki n TYR 25 N 5.24 0.00 -0.10 4.23 4.01 -1.26 -4.35 117.16 124.93 2eki n TYR 25 Ca 0.16 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.79 2eki n TYR 25 Cb 0.39 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.75 1.34 -2.87 -0.72 5.66 -1.26 -4.61 114.28 111.08 2eki n THR 26 Ca 0.02 -0.76 -0.28 0.00 -3.05 0.00 0.00 64.05 59.98 2eki n THR 26 Cb 0.10 -0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 68.17 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 -2.83 4.72 -4.69 1.09 2.88 -1.26 -5.08 113.62 108.46 2eki n SER 27 Ca -0.34 -3.69 -0.29 0.00 -1.33 0.00 0.00 58.87 53.22 2eki n SER 27 Cb 1.09 -0.59 0.17 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.60 -0.42 -1.46 0.04 -1.26 -4.97 135.00 123.99 2eki s PRO 28 Ca 0.48 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 61.96 2eki s PRO 28 Cb 0.29 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 33.10 2eki s PRO 28 CO -0.15 -2.63 0.32 0.54 0.04 0.00 0.00 177.00 175.13 2eki s VAL 29 N -2.96 5.24 -0.59 -0.36 0.11 -1.14 -4.92 120.40 115.78 2eki s VAL 29 Ca 0.65 -0.69 -0.27 0.00 -2.93 0.00 0.00 61.98 58.74 2eki s VAL 29 Cb -0.18 -3.96 0.03 0.00 -1.53 0.00 0.00 36.38 30.74 2eki s VAL 29 CO 0.57 -0.35 1.12 -0.69 -3.33 0.00 0.00 175.10 172.42 2eki s VAL 30 N 1.71 4.10 0.09 2.04 1.01 -1.26 -2.88 120.40 125.20 2eki s VAL 30 Ca 0.05 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2eki s VAL 30 Cb -0.20 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 2eki s VAL 30 CO 0.10 -1.34 0.22 -0.76 0.00 0.00 0.00 175.10 173.31 2eki s LEU 31 N 4.72 4.30 0.04 3.92 1.43 -0.98 -4.96 118.68 127.16 2eki s LEU 31 Ca 0.38 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 2eki s LEU 31 Cb -0.09 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 2eki s LEU 31 CO 0.22 0.14 1.42 -2.16 0.23 0.00 0.00 176.35 176.19 2eki s PRO 32 N -2.71 4.29 0.10 1.29 0.04 -1.26 -2.87 135.00 133.88 2eki s PRO 32 Ca 0.34 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 2eki s PRO 32 Cb -0.12 -3.49 -0.10 0.00 0.04 0.00 0.00 34.50 30.82 2eki s PRO 32 CO 0.28 -0.55 1.46 -0.92 0.04 0.00 0.00 177.00 177.31 2eki h TYR 33 N 7.61 -1.40 -1.67 0.56 5.03 -1.78 0.17 116.97 125.51 2eki h TYR 33 Ca -0.39 0.06 0.51 0.00 2.58 0.00 0.00 58.73 61.48 2eki h TYR 33 Cb 1.19 0.64 -0.10 0.00 1.55 0.00 0.00 36.73 40.01 2eki h TYR 33 CO 0.73 -0.44 1.16 0.45 -1.32 0.00 0.00 178.16 178.74 2eki n SER 34 N -4.96 0.07 -3.87 -2.11 2.88 -1.26 -2.96 113.62 101.41 2eki n SER 34 Ca -0.04 1.08 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 2eki n SER 34 Cb 0.31 -0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 63.08 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 1.20 -0.13 -1.46 1.81 0.59 -5.07 118.95 110.98 2eki s ARG 35 Ca -0.06 -1.64 -0.03 0.00 -1.72 0.00 0.00 55.73 52.29 2eki s ARG 35 Cb 0.27 -2.65 0.05 0.00 -0.45 0.00 0.00 34.95 32.16 2eki s ARG 35 CO 0.82 -0.99 0.05 0.95 -0.68 0.00 0.00 175.30 175.44 2eki s THR 36 N 1.03 0.21 -0.27 0.02 -4.23 -1.16 -4.02 115.64 107.23 2eki s THR 36 Ca 0.12 -0.13 -0.26 0.00 -1.18 0.00 0.00 61.69 60.24 2eki s THR 36 Cb -0.19 -0.64 0.13 0.00 1.34 0.00 0.00 72.50 73.13 2eki s THR 36 CO -0.13 -0.06 1.08 0.42 -0.54 0.00 0.00 174.62 175.39 2eki s THR 37 N 2.02 0.00 0.37 3.99 -4.23 -1.26 -3.76 115.64 112.76 2eki s THR 37 Ca 0.02 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.78 2eki s THR 37 Cb -0.15 -1.00 0.39 0.00 1.34 0.00 0.00 72.50 73.08 2eki s THR 37 CO -0.07 0.00 1.41 0.52 -0.54 0.00 0.00 174.62 175.94 2eki n VAL 38 N 1.95 -0.29 -0.09 2.29 0.31 -0.70 0.23 118.33 122.02 2eki n VAL 38 Ca -0.12 1.71 -0.14 0.00 -0.01 0.00 0.00 64.34 65.78 2eki n VAL 38 Cb 0.56 -2.79 -0.04 0.00 -0.91 0.00 0.00 33.84 30.66 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 0.80 -0.12 5.55 4.11 -1.81 -2.65 114.58 120.46 2eki h GLU 39 Ca 0.78 -0.47 0.03 0.00 0.07 0.00 0.00 59.36 59.78 2eki h GLU 39 Cb 2.33 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.61 2eki h GLU 39 CO -0.54 1.10 0.10 -0.44 0.07 0.00 0.00 179.01 179.30 2eki h ASP 40 N 0.56 0.00 0.08 3.06 3.32 0.25 -2.29 116.42 121.40 2eki h ASP 40 Ca 0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2eki h ASP 40 Cb 1.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.57 2eki h ASP 40 CO 0.10 0.00 -0.48 0.15 -1.72 0.00 0.00 179.24 177.29 2eki h PHE 41 N 0.00 0.34 -1.01 4.55 3.04 -1.23 -3.30 116.94 119.32 2eki h PHE 41 Ca 0.06 -0.24 0.25 0.00 3.98 0.00 0.00 57.97 62.02 2eki h PHE 41 Cb 0.26 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 38.68 2eki h PHE 41 CO 0.00 1.17 0.67 0.00 -2.02 0.00 0.00 178.31 178.12 2eki h MET 43 N 0.34 0.24 -1.06 0.00 2.86 -1.58 0.22 114.93 115.95 2eki h MET 43 Ca 0.55 -0.03 0.28 0.00 -2.06 0.00 0.00 59.70 58.44 2eki h MET 43 Cb 1.49 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 33.00 2eki h MET 43 CO -0.22 0.26 0.67 0.87 1.06 0.00 0.00 176.91 179.55 2eki h LYS 44 N 0.16 0.37 0.00 1.72 1.79 -1.04 -2.90 116.57 116.68 2eki h LYS 44 Ca 0.06 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2eki h LYS 44 Cb 0.09 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2eki h LYS 44 CO -0.01 0.25 -0.08 0.82 -1.08 0.00 0.00 179.45 179.35 2eki h ILE 45 N 0.39 0.00 -3.04 1.86 1.08 -1.40 -3.48 117.51 112.92 2eki h ILE 45 Ca 0.64 -0.52 -0.22 0.00 -0.39 0.00 0.00 64.86 64.37 2eki h ILE 45 Cb 1.59 0.00 -0.31 0.00 -3.07 0.00 0.00 36.82 35.03 2eki h ILE 45 CO -0.36 0.00 -0.53 -2.28 -0.69 0.00 0.00 178.15 174.30 2eki s HIS 46 N -1.39 -0.31 -0.80 1.37 2.46 0.03 -5.00 115.29 111.65 2eki s HIS 46 Ca -0.02 0.76 0.08 0.00 0.47 0.00 0.00 55.06 56.34 2eki s HIS 46 Cb 0.00 -0.02 0.39 0.00 -0.13 0.00 0.00 32.58 32.83 2eki s HIS 46 CO 0.03 -0.25 1.24 1.17 -2.47 0.00 0.00 174.74 174.47 2eki n LYS 47 N 4.54 0.04 -0.57 2.88 4.81 -1.25 -1.07 118.16 127.54 2eki n LYS 47 Ca -0.20 0.49 0.05 0.00 -0.87 0.00 0.00 58.31 57.78 2eki n LYS 47 Cb 0.52 -1.62 0.20 0.00 0.02 0.00 0.00 35.03 34.15 2eki n LYS 47 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2eki n ASN 48 N -1.70 1.88 -0.08 3.14 4.13 -1.26 -4.63 115.26 116.73 2eki n ASN 48 Ca 0.00 -3.81 -0.11 0.00 1.68 0.00 0.00 54.58 52.35 2eki n ASN 48 Cb 0.04 -0.53 -0.15 0.00 -1.54 0.00 0.00 39.78 37.60 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2eki n LEU 49 N -1.15 0.60 -0.06 3.41 7.94 -0.23 -4.28 117.00 123.23 2eki n LEU 49 Ca 0.20 0.10 0.02 0.00 -1.11 0.00 0.00 56.01 55.23 2eki n LEU 49 Cb 0.73 0.22 0.36 0.00 0.53 0.00 0.00 43.42 45.26 2eki n LEU 49 CO -0.01 0.52 1.15 -0.29 -1.11 0.00 0.00 177.39 177.66 2eki h ILE 50 N 0.00 1.14 -0.52 1.96 6.09 -1.82 0.25 117.51 124.62 2eki h ILE 50 Ca -0.48 -0.31 -0.02 0.00 -1.37 0.00 0.00 64.86 62.68 2eki h ILE 50 Cb 2.15 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 39.86 2eki h ILE 50 CO 0.03 0.15 0.22 0.11 -3.07 0.00 0.00 178.15 175.59 2eki h LYS 51 N 0.68 0.74 -0.00 2.19 1.57 -1.90 -2.09 116.57 117.76 2eki h LYS 51 Ca 0.18 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2eki h LYS 51 Cb -0.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2eki h LYS 51 CO -0.03 0.59 -0.71 0.39 -0.57 0.00 0.00 179.45 179.12 2eki n GLU 52 N -4.36 0.03 -1.72 3.15 -0.58 -0.70 -4.92 120.64 111.55 2eki n GLU 52 Ca 0.04 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2eki n GLU 52 Cb 0.14 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.99 1.57 -0.07 -0.32 5.36 0.81 -0.06 117.98 122.30 2eki s PHE 53 Ca 0.10 -0.28 -0.04 0.00 -0.96 0.00 0.00 56.93 55.74 2eki s PHE 53 Cb 0.17 -4.20 -0.01 0.00 -0.34 0.00 0.00 43.02 38.64 2eki s PHE 53 CO 0.77 -5.23 -0.09 1.17 -1.46 0.00 0.00 175.22 170.39 2eki n LYS 54 N 7.00 0.21 -3.98 10.12 4.81 0.14 -4.78 118.16 131.69 2eki n LYS 54 Ca 0.19 0.36 -0.11 0.00 -0.87 0.00 0.00 58.31 57.88 2eki n LYS 54 Cb 0.40 -1.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.26 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 -1.59 0.56 -0.02 5.64 -0.85 -1.20 -4.90 117.35 114.98 2eki s TYR 55 Ca -0.07 -0.96 0.01 0.00 -0.52 0.00 0.00 57.07 55.54 2eki s TYR 55 Cb 0.01 0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.64 2eki s TYR 55 CO 0.11 -1.22 -0.04 0.00 -1.52 0.00 0.00 175.55 172.87 2eki s ALA 56 N -3.15 0.51 -0.53 9.51 0.00 -0.91 -2.79 121.76 124.41 2eki s ALA 56 Ca 0.23 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 2eki s ALA 56 Cb -0.02 -0.27 0.13 0.00 0.00 0.00 0.00 23.12 22.96 2eki s ALA 56 CO 0.14 0.04 0.45 -0.51 0.00 0.00 0.00 175.76 175.87 2eki s LEU 57 N 0.48 5.98 0.15 0.00 1.43 -1.19 -1.34 118.68 124.19 2eki s LEU 57 Ca -0.06 -1.92 -0.28 0.00 -1.03 0.00 0.00 54.13 50.84 2eki s LEU 57 Cb -0.09 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 2eki s LEU 57 CO -0.00 -0.76 0.88 -0.69 0.23 0.00 0.00 176.35 176.01 2eki s VAL 58 N 1.37 4.39 -0.18 -1.59 1.01 -1.20 -3.08 120.40 121.13 2eki s VAL 58 Ca 0.05 1.92 0.13 0.00 0.00 0.00 0.00 61.98 64.09 2eki s VAL 58 Cb -0.27 -4.25 0.42 0.00 0.00 0.00 0.00 36.38 32.28 2eki s VAL 58 CO 0.00 0.42 1.21 0.79 0.00 0.00 0.00 175.10 177.53 2eki n TRP 59 N 2.17 0.00 -3.74 5.22 8.01 -0.75 -3.72 117.44 124.63 2eki n TRP 59 Ca -0.01 -1.35 -0.05 0.00 -1.31 0.00 0.00 57.50 54.78 2eki n TRP 59 Cb 0.49 -0.23 -0.00 0.00 -2.01 0.00 0.00 31.31 29.55 2eki n TRP 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2eki n GLY 60 N -0.88 3.34 0.08 6.99 0.00 -1.26 -4.66 105.19 108.79 2eki n GLY 60 Ca 0.17 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 44.09 2eki n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eki n LEU 61 N 0.00 0.46 0.00 0.99 4.32 -1.26 -2.74 117.00 118.77 2eki n LEU 61 Ca -0.01 0.60 0.04 0.00 -0.02 0.00 0.00 56.01 56.61 2eki n LEU 61 Cb 0.11 -0.51 0.19 0.00 -1.62 0.00 0.00 43.42 41.59 2eki n LEU 61 CO 0.06 -0.38 0.57 -1.54 -1.22 0.00 0.00 177.39 174.88 2eki n SER 62 N -1.99 0.00 -4.38 -1.43 3.41 -1.26 -4.67 113.62 103.30 2eki n SER 62 Ca 0.03 0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.69 2eki n SER 62 Cb 0.25 -0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 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 -2.65 1.51 -0.21 -3.33 -7.23 -1.11 -5.08 120.40 102.30 2eki s VAL 63 Ca 0.07 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 2eki s VAL 63 Cb 0.05 -2.31 -0.18 0.00 0.56 0.00 0.00 36.38 34.50 2eki s VAL 63 CO 0.12 -0.39 0.07 0.29 -0.31 0.00 0.00 175.10 174.87 2eki n LYS 64 N -0.48 0.61 -3.77 4.82 4.01 -1.26 -4.91 118.16 117.18 2eki n LYS 64 Ca -0.06 0.42 -0.25 0.00 -0.51 0.00 0.00 58.31 57.90 2eki n LYS 64 Cb 0.63 -1.66 -0.17 0.00 -0.51 0.00 0.00 35.03 33.31 2eki n LYS 64 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2eki s HIS 65 N -2.44 0.91 0.26 2.13 3.76 -1.26 -5.14 115.29 113.50 2eki s HIS 65 Ca -0.31 -0.52 0.09 0.00 -0.15 0.00 0.00 55.06 54.17 2eki s HIS 65 Cb 0.08 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 2eki s HIS 65 CO 0.60 -0.47 0.01 0.54 -0.85 0.00 0.00 174.74 174.57 2eki s ASN 66 N 1.90 4.64 0.04 1.40 2.20 -1.26 -3.34 114.94 120.51 2eki s ASN 66 Ca 0.02 -0.59 -0.30 0.00 -0.94 0.00 0.00 52.86 51.05 2eki s ASN 66 Cb -0.14 -0.91 -0.06 0.00 -2.00 0.00 0.00 41.25 38.14 2eki s ASN 66 CO -0.07 0.00 1.42 -2.16 -2.94 0.00 0.00 177.10 173.36 2eki s PRO 67 N -3.64 4.29 -0.12 3.55 0.04 -1.26 -5.11 135.00 132.75 2eki s PRO 67 Ca 0.31 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 2eki s PRO 67 Cb -0.07 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2eki s PRO 67 CO 0.20 -0.55 0.10 -1.14 0.04 0.00 0.00 177.00 175.66 2eki s GLN 68 N 2.06 3.39 -0.39 4.56 0.74 -1.21 -4.97 119.66 123.83 2eki s GLN 68 Ca 0.65 -0.21 -0.24 0.00 0.05 0.00 0.00 55.36 55.61 2eki s GLN 68 Cb -0.34 -3.11 0.01 0.00 1.10 0.00 0.00 33.01 30.68 2eki s GLN 68 CO 0.28 0.72 0.81 0.21 -0.55 0.00 0.00 175.29 176.76 2eki s LYS 69 N -0.87 3.67 0.40 1.67 2.20 -1.26 -3.25 119.74 122.30 2eki s LYS 69 Ca 0.14 0.24 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 2eki s LYS 69 Cb -0.12 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.30 2eki s LYS 69 CO 0.03 -0.95 0.11 0.14 -0.36 0.00 0.00 175.35 174.32 2eki s VAL 70 N 3.25 2.32 0.00 4.02 -7.23 -0.45 -4.94 120.40 117.36 2eki s VAL 70 Ca 0.32 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2eki s VAL 70 Cb -0.12 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2eki s VAL 70 CO 0.19 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2eki n GLY 71 N -1.13 2.15 0.01 2.32 0.00 -1.26 -2.14 105.19 105.13 2eki n GLY 71 Ca -0.02 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 0.15 0.05 1.61 2.85 -1.26 -4.11 118.16 117.45 2eki n LYS 72 Ca 0.00 -0.04 0.12 0.00 -1.05 0.00 0.00 58.31 57.34 2eki n LYS 72 Cb 0.00 -1.52 0.12 0.00 -0.65 0.00 0.00 35.03 32.98 2eki n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2eki n ASP 73 N -1.69 0.67 -4.66 -5.58 -0.08 -1.26 -2.75 116.55 101.19 2eki n ASP 73 Ca 0.02 0.01 -0.42 0.00 -1.51 0.00 0.00 54.79 52.90 2eki n ASP 73 Cb 0.39 0.38 -0.03 0.00 2.34 0.00 0.00 41.12 44.20 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2eki s HIS 74 N -3.18 1.27 0.28 -0.67 2.46 -1.26 -4.81 115.29 109.38 2eki s HIS 74 Ca 0.05 -0.47 -0.29 0.00 0.47 0.00 0.00 55.06 54.82 2eki s HIS 74 Cb 0.14 -4.25 -0.10 0.00 -0.13 0.00 0.00 32.58 28.24 2eki s HIS 74 CO 0.75 -5.60 1.29 0.99 -2.47 0.00 0.00 174.74 169.70 2eki s THR 75 N 4.50 2.97 0.23 0.89 2.01 -1.26 -1.73 115.64 123.26 2eki s THR 75 Ca 0.89 0.90 -0.13 0.00 0.31 0.00 0.00 61.69 63.66 2eki s THR 75 Cb -0.43 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 2eki s THR 75 CO 0.42 0.19 0.62 -0.76 -0.69 0.00 0.00 174.62 174.39 2eki s LEU 76 N -1.13 4.21 0.15 4.42 1.43 -1.25 -4.86 118.68 121.65 2eki s LEU 76 Ca 0.51 1.12 0.11 0.00 -1.03 0.00 0.00 54.13 54.84 2eki s LEU 76 Cb -0.38 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 2eki s LEU 76 CO 0.46 -0.05 -0.25 -1.61 0.23 0.00 0.00 176.35 175.13 2eki s GLU 77 N -2.53 1.40 1.08 1.70 2.02 -1.26 -4.80 118.70 116.32 2eki s GLU 77 Ca 0.46 -1.39 -0.13 0.00 0.02 0.00 0.00 54.97 53.94 2eki s GLU 77 Cb -0.13 -1.79 0.21 0.00 0.10 0.00 0.00 34.13 32.52 2eki s GLU 77 CO 0.20 0.41 0.89 -3.47 0.02 0.00 0.00 175.26 173.30 2eki n ASP 78 N 0.70 -1.27 -4.14 -0.19 2.03 -1.26 -3.17 116.55 109.24 2eki n ASP 78 Ca -0.16 0.04 -0.29 0.00 0.52 0.00 0.00 54.79 54.89 2eki n ASP 78 Cb 0.54 -1.28 -0.09 0.00 -0.72 0.00 0.00 41.12 39.57 2eki n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2eki n GLU 79 N -4.20 -0.91 -4.30 -0.67 1.02 0.32 -4.85 120.64 107.06 2eki n GLU 79 Ca 0.05 0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.09 2eki n GLU 79 Cb 0.54 -3.36 -0.13 0.00 -0.02 0.00 0.00 31.44 28.47 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 -4.04 1.48 -0.11 1.62 -1.08 -1.19 -4.84 116.67 108.51 2eki s ASP 80 Ca 0.12 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.67 2eki s ASP 80 Cb -0.07 -0.08 -0.04 0.00 -1.46 0.00 0.00 42.92 41.27 2eki s ASP 80 CO 0.90 0.00 0.06 -0.69 0.52 0.00 0.00 175.17 175.96 2eki s VAL 81 N -0.86 4.83 0.05 1.11 1.01 -1.26 -0.81 120.40 124.47 2eki s VAL 81 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2eki s VAL 81 Cb -0.08 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2eki s VAL 81 CO 0.01 0.60 -0.11 -0.51 0.00 0.00 0.00 175.10 175.09 2eki s ILE 82 N -0.85 0.88 -0.28 2.22 2.07 -0.98 -1.82 121.20 122.45 2eki s ILE 82 Ca 0.13 -1.05 0.02 0.00 -1.41 0.00 0.00 60.65 58.34 2eki s ILE 82 Cb -0.12 -0.85 0.06 0.00 0.13 0.00 0.00 42.46 41.69 2eki s ILE 82 CO 0.03 -0.17 -0.06 -1.58 -1.91 0.00 0.00 174.94 171.25 2eki s GLN 83 N -1.36 2.18 -0.48 3.50 2.00 -1.18 -1.12 119.66 123.21 2eki s GLN 83 Ca -0.03 -1.41 -0.26 0.00 -2.00 0.00 0.00 55.36 51.66 2eki s GLN 83 Cb -0.09 -3.01 0.03 0.00 0.80 0.00 0.00 33.01 30.74 2eki s GLN 83 CO 0.01 -0.64 1.00 0.42 -0.50 0.00 0.00 175.29 175.58 2eki s ILE 84 N 1.11 4.37 -0.22 -2.34 -1.09 -1.26 -3.14 121.20 118.64 2eki s ILE 84 Ca -0.05 0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 59.19 2eki s ILE 84 Cb -0.20 -4.50 -0.01 0.00 -1.58 0.00 0.00 42.46 36.17 2eki s ILE 84 CO -0.04 -0.92 -0.04 0.54 -1.23 0.00 0.00 174.94 173.24 2eki s VAL 85 N 4.01 3.42 0.36 2.92 0.11 -1.12 -5.00 120.40 125.10 2eki s VAL 85 Ca 0.40 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.78 2eki s VAL 85 Cb -0.09 -2.55 -0.10 0.00 -1.53 0.00 0.00 36.38 32.11 2eki s VAL 85 CO 0.28 0.43 0.85 -0.54 -3.33 0.00 0.00 175.10 172.78 2eki s LYS 86 N 1.39 4.18 1.02 1.54 1.02 -1.26 0.27 119.74 127.89 2eki s LYS 86 Ca 0.05 0.95 -0.22 0.00 0.02 0.00 0.00 55.97 56.76 2eki s LYS 86 Cb -0.14 -2.40 -0.12 0.00 -0.52 0.00 0.00 37.83 34.65 2eki s LYS 86 CO -0.02 0.11 -0.94 1.63 -0.92 0.00 0.00 175.35 175.21 2eki n LYS 87 N -0.29 -0.29 -0.08 1.68 5.02 0.91 -4.74 118.16 120.37 2eki n LYS 87 Ca 0.04 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 2eki n LYS 87 Cb 0.53 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 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 2.24 1.80 -4.90 4.39 7.64 -1.26 -5.02 113.62 118.51 2eki n SER 88 Ca -0.01 0.30 -0.29 0.00 1.01 0.00 0.00 58.87 59.89 2eki n SER 88 Cb 0.66 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 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 -4.94 1.62 0.06 0.23 0.00 -1.26 -5.01 107.32 98.01 2eki s GLY 89 Ca -0.27 -0.48 -0.31 0.00 0.00 0.00 0.00 44.72 43.66 2eki s GLY 89 CO 0.39 -0.14 1.40 2.56 0.00 0.00 0.00 173.10 177.31 2eki s PRO 90 N -5.23 4.30 0.14 2.90 0.04 -1.26 -4.94 135.00 130.95 2eki s PRO 90 Ca 0.57 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.41 2eki s PRO 90 Cb -0.11 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.03 2eki s PRO 90 CO 0.49 -0.50 1.64 0.77 0.04 0.00 0.00 177.00 179.44 2eki h SER 91 N 7.33 -0.69 -4.07 6.66 0.02 -2.00 -3.42 113.55 117.38 2eki h SER 91 Ca -0.40 0.12 -0.45 0.00 -0.84 0.00 0.00 61.79 60.21 2eki h SER 91 Cb 1.20 0.32 0.14 0.00 0.14 0.00 0.00 62.40 64.20 2eki h SER 91 CO 0.88 -0.26 0.26 -0.55 -1.14 0.00 0.00 176.83 176.01 2eki s SER 92 N -5.02 3.04 0.00 3.07 0.15 -1.26 -5.26 113.70 108.41 2eki s SER 92 Ca -0.15 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2eki s SER 92 Cb 0.11 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2eki s SER 92 CO 0.68 -2.85 0.00 0.61 1.20 0.00 0.00 173.24 172.88