#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 3.96 0.06 1.61 0.01 -1.26 -5.16 113.70 112.92 2eki s SER 2 Ca 0.00 -1.47 -0.22 0.00 1.31 0.00 0.00 55.95 55.58 2eki s SER 2 Cb 0.00 -0.08 0.05 0.00 0.21 0.00 0.00 66.02 66.20 2eki s SER 2 CO 0.00 -0.59 0.51 -0.94 0.41 0.00 0.00 173.24 172.63 2eki s SER 3 N -3.77 -0.42 0.00 2.44 1.04 -1.26 -5.03 113.70 106.71 2eki s SER 3 Ca 0.25 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2eki s SER 3 Cb 0.07 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2eki s SER 3 CO 0.13 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2eki n GLY 4 N 0.31 0.12 3.33 7.32 0.00 -1.26 -5.03 105.19 109.98 2eki n GLY 4 Ca -0.18 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2eki n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eki n SER 5 N -1.16 -2.21 -4.77 1.61 7.64 -1.26 -4.86 113.62 108.61 2eki n SER 5 Ca 0.00 -0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 2eki n SER 5 Cb 0.50 -1.04 -0.01 0.00 -1.01 0.00 0.00 64.21 62.65 2eki n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eki s SER 6 N -1.96 6.32 0.00 6.43 0.01 -1.26 -5.00 113.70 118.24 2eki s SER 6 Ca 0.58 3.04 0.00 0.00 1.31 0.00 0.00 55.95 60.88 2eki s SER 6 Cb -0.15 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2eki s SER 6 CO 0.66 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2eki n GLY 7 N 1.07 1.35 1.72 3.44 0.00 -1.26 -4.76 105.19 106.74 2eki n GLY 7 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.65 -1.57 1.61 0.18 -1.26 -4.87 117.16 112.90 2eki n TYR 8 Ca 0.00 -1.41 -0.14 0.00 1.88 0.00 0.00 57.90 58.23 2eki n TYR 8 Cb 0.00 -0.71 -0.11 0.00 -0.38 0.00 0.00 39.34 38.14 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 -0.24 1.40 -4.87 -3.48 -0.00 -1.26 -4.90 117.00 103.65 2eki n LEU 9 Ca 0.32 -2.23 -0.31 0.00 -0.00 0.00 0.00 56.01 53.79 2eki n LEU 9 Cb 1.00 -1.71 0.01 0.00 -0.00 0.00 0.00 43.42 42.73 2eki n LEU 9 CO 0.35 -3.43 0.71 -0.75 -0.00 0.00 0.00 177.39 174.27 2eki s LYS 10 N 8.62 3.53 -0.09 1.96 2.20 -1.26 -4.98 119.74 129.72 2eki s LYS 10 Ca 0.84 0.70 -0.00 0.00 -0.36 0.00 0.00 55.97 57.15 2eki s LYS 10 Cb -0.07 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.14 2eki s LYS 10 CO 0.16 -0.60 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.98 2eki s LEU 11 N -5.18 3.15 -0.28 5.43 1.43 -1.26 -2.48 118.68 119.48 2eki s LEU 11 Ca 0.55 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2eki s LEU 11 Cb -0.11 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.50 2eki s LEU 11 CO 0.53 0.30 0.09 -0.69 0.23 0.00 0.00 176.35 176.82 2eki s VAL 12 N -0.42 0.53 -0.05 -1.59 1.01 -0.72 -4.79 120.40 114.37 2eki s VAL 12 Ca 0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2eki s VAL 12 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2eki s VAL 12 CO 0.02 -0.60 0.12 0.00 0.00 0.00 0.00 175.10 174.65 2eki s ARG 13 N 1.81 3.28 0.00 2.72 1.70 -1.26 -1.03 118.95 126.17 2eki s ARG 13 Ca 0.07 -0.33 0.07 0.00 -0.47 0.00 0.00 55.73 55.08 2eki s ARG 13 Cb -0.17 -3.02 -0.03 0.00 -0.57 0.00 0.00 34.95 31.16 2eki s ARG 13 CO -0.25 0.70 -0.22 0.42 -1.08 0.00 0.00 175.30 174.87 2eki s ILE 14 N -1.16 2.41 -0.63 4.99 -1.09 -0.25 -1.41 121.20 124.06 2eki s ILE 14 Ca 0.21 -1.13 -0.18 0.00 -2.23 0.00 0.00 60.65 57.32 2eki s ILE 14 Cb -0.12 -1.92 0.13 0.00 -1.58 0.00 0.00 42.46 38.96 2eki s ILE 14 CO 0.12 0.47 0.69 -0.31 -1.23 0.00 0.00 174.94 174.68 2eki s TYR 15 N -0.75 3.16 0.34 3.97 2.02 0.82 -2.30 117.35 124.62 2eki s TYR 15 Ca 0.12 -1.20 -0.29 0.00 -0.37 0.00 0.00 57.07 55.33 2eki s TYR 15 Cb -0.10 -3.96 -0.11 0.00 -0.40 0.00 0.00 41.96 37.39 2eki s TYR 15 CO 0.01 -1.20 1.53 -0.08 -1.57 0.00 0.00 175.55 174.24 2eki s THR 16 N 2.10 2.06 -0.34 -0.71 -1.32 -1.26 -1.97 115.64 114.21 2eki s THR 16 Ca 0.12 0.06 -0.05 0.00 -1.21 0.00 0.00 61.69 60.60 2eki s THR 16 Cb -0.23 -3.04 0.05 0.00 -1.51 0.00 0.00 72.50 67.77 2eki s THR 16 CO 0.02 0.01 0.09 -0.75 -2.21 0.00 0.00 174.62 171.79 2eki s LYS 17 N -1.45 2.54 0.31 7.08 2.20 0.37 -3.64 119.74 127.15 2eki s LYS 17 Ca 0.57 -1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 2eki s LYS 17 Cb -0.47 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.33 2eki s LYS 17 CO 0.57 -0.69 1.23 -1.25 -0.36 0.00 0.00 175.35 174.84 2eki s PRO 18 N 1.35 4.46 0.02 4.03 0.04 -1.26 -4.46 135.00 139.18 2eki s PRO 18 Ca -0.02 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2eki s PRO 18 Cb -0.20 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.15 2eki s PRO 18 CO 0.01 -0.04 1.77 -1.59 0.04 0.00 0.00 177.00 177.20 2eki s LYS 19 N -1.64 4.17 0.00 4.56 -2.85 -1.26 -2.26 119.74 120.46 2eki s LYS 19 Ca 0.47 2.39 0.00 0.00 -1.00 0.00 0.00 55.97 57.83 2eki s LYS 19 Cb -0.37 -3.93 0.00 0.00 -2.06 0.00 0.00 37.83 31.47 2eki s LYS 19 CO 0.48 -0.86 0.00 0.41 0.10 0.00 0.00 175.35 175.48 2eki n GLY 20 N 4.25 2.42 4.01 0.59 0.00 -1.26 -4.99 105.19 110.21 2eki n GLY 20 Ca 0.18 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 2.48 0.33 1.61 -0.21 -0.96 -5.11 119.66 117.80 2eki s GLN 21 Ca 0.00 -1.34 -0.09 0.00 0.02 0.00 0.00 55.36 53.95 2eki s GLN 21 Cb 0.00 -2.65 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 2eki s GLN 21 CO 0.00 -0.66 0.66 -0.48 -2.12 0.00 0.00 175.29 172.68 2eki s LEU 22 N -4.59 3.99 -0.17 2.90 0.05 -1.26 -4.31 118.68 115.28 2eki s LEU 22 Ca 0.59 0.97 -0.29 0.00 0.05 0.00 0.00 54.13 55.45 2eki s LEU 22 Cb -0.08 -3.80 -0.03 0.00 -2.05 0.00 0.00 46.19 40.22 2eki s LEU 22 CO 0.37 -0.26 1.58 -2.16 -0.55 0.00 0.00 176.35 175.33 2eki s PRO 23 N -3.48 3.96 0.45 1.48 0.04 -1.26 -4.43 135.00 131.75 2eki s PRO 23 Ca 0.48 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 2eki s PRO 23 Cb -0.11 -3.99 -0.08 0.00 0.04 0.00 0.00 34.50 30.37 2eki s PRO 23 CO 0.28 -1.10 1.21 -0.51 0.04 0.00 0.00 177.00 176.92 2eki s ASP 24 N 3.69 6.16 -0.06 6.66 1.01 -1.24 -4.95 116.67 127.94 2eki s ASP 24 Ca 0.70 2.43 0.10 0.00 0.71 0.00 0.00 52.55 56.48 2eki s ASP 24 Cb -0.27 -2.62 0.17 0.00 1.01 0.00 0.00 42.92 41.22 2eki s ASP 24 CO 0.27 -0.93 1.08 -1.22 0.21 0.00 0.00 175.17 174.59 2eki n TYR 25 N -0.32 0.00 -0.12 4.23 4.01 -1.26 -4.58 117.16 119.12 2eki n TYR 25 Ca 0.06 -0.51 -0.25 0.00 -0.16 0.00 0.00 57.90 57.05 2eki n TYR 25 Cb 0.47 -0.11 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 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 -0.57 1.54 -3.31 -0.72 -2.24 -1.26 -4.77 114.28 102.96 2eki n THR 26 Ca 0.08 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 2eki n THR 26 Cb 0.71 -1.98 -0.08 0.00 -2.10 0.00 0.00 70.33 66.89 2eki n THR 26 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2eki n SER 27 N -4.35 0.91 -2.60 3.42 7.64 -1.26 -5.12 113.62 112.27 2eki n SER 27 Ca -0.40 -2.81 -0.02 0.00 1.01 0.00 0.00 58.87 56.64 2eki n SER 27 Cb 0.76 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 2eki n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2eki n PRO 28 N 1.57 -1.20 -3.62 1.43 -0.04 -1.26 -5.01 135.00 126.87 2eki n PRO 28 Ca 0.24 -0.14 -0.40 0.00 -0.04 0.00 0.00 63.50 63.17 2eki n PRO 28 Cb 0.49 -0.13 -0.11 0.00 -0.04 0.00 0.00 33.50 33.71 2eki n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2eki s VAL 29 N -1.15 4.32 -0.50 0.52 0.11 -0.97 -4.96 120.40 117.77 2eki s VAL 29 Ca 0.06 -1.12 -0.23 0.00 -2.93 0.00 0.00 61.98 57.76 2eki s VAL 29 Cb -0.01 -3.51 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 2eki s VAL 29 CO 0.04 -0.34 0.83 -0.69 -3.33 0.00 0.00 175.10 171.61 2eki s VAL 30 N 1.48 4.57 0.12 2.04 1.01 -1.26 -1.09 120.40 127.27 2eki s VAL 30 Ca 0.02 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2eki s VAL 30 Cb -0.21 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 2eki s VAL 30 CO 0.04 -0.90 0.12 -0.76 0.00 0.00 0.00 175.10 173.60 2eki s LEU 31 N 3.46 3.85 0.07 3.92 1.43 -0.20 -4.92 118.68 126.30 2eki s LEU 31 Ca 0.28 -0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.03 2eki s LEU 31 Cb -0.13 -2.50 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 2eki s LEU 31 CO 0.19 0.12 1.39 -2.16 0.23 0.00 0.00 176.35 176.13 2eki s PRO 32 N -2.72 4.31 0.09 1.29 0.04 -1.26 -1.76 135.00 134.99 2eki s PRO 32 Ca 0.30 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 2eki s PRO 32 Cb -0.11 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 2eki s PRO 32 CO 0.23 -0.48 1.35 -0.92 0.04 0.00 0.00 177.00 177.22 2eki h TYR 33 N 7.20 -1.17 -0.80 0.56 5.03 -1.82 0.27 116.97 126.24 2eki h TYR 33 Ca -0.41 0.07 0.31 0.00 2.58 0.00 0.00 58.73 61.28 2eki h TYR 33 Cb 1.20 0.57 -0.12 0.00 1.55 0.00 0.00 36.73 39.93 2eki h TYR 33 CO 0.69 -0.28 0.46 0.45 -1.32 0.00 0.00 178.16 178.16 2eki n SER 34 N -4.45 0.22 -3.96 -2.11 2.88 -1.26 -2.51 113.62 102.42 2eki n SER 34 Ca -0.01 1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 58.35 2eki n SER 34 Cb 0.20 -0.55 -0.14 0.00 -0.75 0.00 0.00 64.21 62.96 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 -4.99 1.74 -0.10 -1.46 1.81 0.94 -5.06 118.95 111.83 2eki s ARG 35 Ca -0.06 -2.29 -0.03 0.00 -1.72 0.00 0.00 55.73 51.63 2eki s ARG 35 Cb 0.24 -3.22 0.04 0.00 -0.45 0.00 0.00 34.95 31.56 2eki s ARG 35 CO 0.57 -1.04 0.07 0.95 -0.68 0.00 0.00 175.30 175.16 2eki s THR 36 N 0.22 -0.05 -0.19 0.02 -4.23 -1.04 -4.08 115.64 106.29 2eki s THR 36 Ca 0.15 0.15 -0.29 0.00 -1.18 0.00 0.00 61.69 60.52 2eki s THR 36 Cb -0.23 -0.37 0.13 0.00 1.34 0.00 0.00 72.50 73.37 2eki s THR 36 CO -0.04 -0.01 1.00 0.42 -0.54 0.00 0.00 174.62 175.46 2eki s THR 37 N 2.13 0.00 0.34 3.99 -4.23 -1.26 -3.63 115.64 112.99 2eki s THR 37 Ca 0.04 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.69 2eki s THR 37 Cb -0.14 -1.00 0.34 0.00 1.34 0.00 0.00 72.50 73.05 2eki s THR 37 CO -0.06 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.22 2eki h VAL 38 N 2.88 0.15 -0.22 2.29 2.07 -1.50 1.18 116.25 123.09 2eki h VAL 38 Ca -0.21 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 2eki h VAL 38 Cb 1.17 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2eki h VAL 38 CO 0.25 0.03 -0.45 1.05 0.02 0.00 0.00 177.57 178.47 2eki h GLU 39 N 0.15 0.55 -0.56 1.57 4.11 -1.81 -2.44 114.58 116.14 2eki h GLU 39 Ca 0.75 -0.30 -0.05 0.00 0.07 0.00 0.00 59.36 59.83 2eki h GLU 39 Cb 1.80 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.04 2eki h GLU 39 CO -0.71 0.89 0.15 -0.44 0.07 0.00 0.00 179.01 178.97 2eki h ASP 40 N 0.44 0.80 0.02 3.06 5.19 0.11 -2.69 116.42 123.35 2eki h ASP 40 Ca 0.03 -0.14 -0.19 0.00 -0.62 0.00 0.00 57.03 56.11 2eki h ASP 40 Cb 0.97 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2eki h ASP 40 CO 0.09 0.77 -0.69 0.15 -3.12 0.00 0.00 179.24 176.44 2eki h PHE 41 N 0.83 0.81 -0.47 4.55 3.04 -1.10 -3.12 116.94 121.48 2eki h PHE 41 Ca 0.18 -0.33 0.02 0.00 3.98 0.00 0.00 57.97 61.82 2eki h PHE 41 Cb 0.28 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 2eki h PHE 41 CO 0.02 1.12 0.31 0.00 -2.02 0.00 0.00 178.31 177.74 2eki h MET 43 N 0.59 0.56 -1.10 0.00 2.86 -1.42 -0.61 114.93 115.81 2eki h MET 43 Ca 0.18 -0.13 0.31 0.00 -2.06 0.00 0.00 59.70 58.00 2eki h MET 43 Cb 0.00 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 31.49 2eki h MET 43 CO -0.04 0.60 0.71 0.87 1.06 0.00 0.00 176.91 180.11 2eki h LYS 44 N 0.42 0.30 0.00 1.72 1.79 -1.43 -2.63 116.57 116.75 2eki h LYS 44 Ca 0.11 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2eki h LYS 44 Cb 0.29 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2eki h LYS 44 CO 0.00 0.20 -0.33 0.82 -1.08 0.00 0.00 179.45 179.07 2eki h ILE 45 N 0.31 0.11 -2.88 1.86 1.08 -1.51 -3.49 117.51 112.99 2eki h ILE 45 Ca 0.65 -1.10 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 2eki h ILE 45 Cb 1.77 0.22 -0.21 0.00 -3.07 0.00 0.00 36.82 35.53 2eki h ILE 45 CO -0.33 0.04 -0.22 -2.28 -0.69 0.00 0.00 178.15 174.67 2eki s HIS 46 N -1.97 -0.27 -1.70 1.37 2.46 -0.26 -5.02 115.29 109.89 2eki s HIS 46 Ca -0.10 0.48 0.05 0.00 0.47 0.00 0.00 55.06 55.97 2eki s HIS 46 Cb 0.01 0.14 0.18 0.00 -0.13 0.00 0.00 32.58 32.78 2eki s HIS 46 CO 0.17 -0.39 1.06 1.63 -2.47 0.00 0.00 174.74 174.74 2eki n LYS 47 N 1.47 1.59 0.00 2.88 4.76 -1.26 -3.25 118.16 124.36 2eki n LYS 47 Ca -0.20 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 2eki n LYS 47 Cb 0.56 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 2eki n LYS 47 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2eki n ASN 48 N 0.09 0.35 0.19 4.39 5.03 -1.26 -4.74 115.26 119.30 2eki n ASN 48 Ca 0.07 -0.80 0.04 0.00 0.87 0.00 0.00 54.58 54.76 2eki n ASN 48 Cb 0.25 0.12 0.37 0.00 -1.02 0.00 0.00 39.78 39.50 2eki n ASN 48 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2eki h LEU 49 N 0.00 0.00 -1.04 3.41 5.85 -1.82 -2.80 115.31 118.92 2eki h LEU 49 Ca 0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2eki h LEU 49 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2eki h LEU 49 CO 0.00 0.38 -0.41 -0.29 -0.34 0.00 0.00 178.44 177.78 2eki h ILE 50 N 0.00 1.31 -0.30 4.05 6.09 -1.85 0.39 117.51 127.19 2eki h ILE 50 Ca -0.00 -1.48 -0.13 0.00 -1.37 0.00 0.00 64.86 61.87 2eki h ILE 50 Cb 0.78 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.77 2eki h ILE 50 CO 0.05 0.44 -0.35 0.11 -3.07 0.00 0.00 178.15 175.33 2eki h LYS 51 N 0.12 0.68 0.00 2.19 1.57 -1.83 -3.10 116.57 116.20 2eki h LYS 51 Ca 0.01 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 2eki h LYS 51 Cb 0.78 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2eki h LYS 51 CO 0.06 0.92 -1.17 0.93 -0.57 0.00 0.00 179.45 179.62 2eki h GLU 52 N 0.57 0.00 -6.38 3.15 4.39 -1.50 -3.47 114.58 111.34 2eki h GLU 52 Ca 0.06 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.18 2eki h GLU 52 Cb 0.86 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2eki h GLU 52 CO 0.07 0.16 1.07 0.34 -1.16 0.00 0.00 179.01 179.49 2eki n PHE 53 N -2.81 2.41 -0.12 4.33 7.35 0.14 -1.37 117.46 127.38 2eki n PHE 53 Ca -0.05 -0.04 -0.22 0.00 -0.76 0.00 0.00 57.45 56.38 2eki n PHE 53 Cb 0.70 -2.68 -0.12 0.00 0.35 0.00 0.00 39.48 37.74 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 5.98 0.64 -3.69 -4.13 4.81 0.07 -4.82 118.16 117.01 2eki n LYS 54 Ca 0.20 0.22 -0.07 0.00 -0.87 0.00 0.00 58.31 57.79 2eki n LYS 54 Cb 0.33 -1.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.51 -0.25 -0.01 5.64 1.13 -1.25 -4.92 117.35 115.17 2eki s TYR 55 Ca -0.35 -0.06 0.03 0.00 -1.41 0.00 0.00 57.07 55.28 2eki s TYR 55 Cb 0.10 0.63 -0.01 0.00 -1.10 0.00 0.00 41.96 41.59 2eki s TYR 55 CO 0.58 -0.92 -0.11 0.00 -2.51 0.00 0.00 175.55 172.59 2eki s ALA 56 N -3.54 0.95 -0.33 9.51 0.00 -1.03 -2.38 121.76 124.93 2eki s ALA 56 Ca 0.09 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 2eki s ALA 56 Cb -0.03 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2eki s ALA 56 CO -0.01 0.21 0.15 -0.51 0.00 0.00 0.00 175.76 175.60 2eki s LEU 57 N -0.14 4.30 0.04 0.00 1.43 -1.23 -1.80 118.68 121.28 2eki s LEU 57 Ca 0.02 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 2eki s LEU 57 Cb -0.06 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 2eki s LEU 57 CO -0.00 -0.28 0.38 -0.69 0.23 0.00 0.00 176.35 175.99 2eki s VAL 58 N 1.53 5.10 -0.13 -1.59 1.01 -1.24 -2.77 120.40 122.31 2eki s VAL 58 Ca 0.02 0.55 0.16 0.00 0.00 0.00 0.00 61.98 62.72 2eki s VAL 58 Cb -0.18 -3.65 0.42 0.00 0.00 0.00 0.00 36.38 32.97 2eki s VAL 58 CO 0.05 0.41 1.20 0.79 0.00 0.00 0.00 175.10 177.55 2eki n TRP 59 N 1.27 0.00 -3.99 5.22 8.01 -0.99 -3.89 117.44 123.08 2eki n TRP 59 Ca -0.11 -1.12 -0.14 0.00 -1.31 0.00 0.00 57.50 54.82 2eki n TRP 59 Cb 0.52 -0.21 -0.01 0.00 -2.01 0.00 0.00 31.31 29.60 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 -0.53 3.33 0.29 6.99 0.00 -1.26 -4.69 105.19 109.32 2eki n GLY 60 Ca 0.14 -2.26 0.04 0.00 0.00 0.00 0.00 46.02 43.95 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 0.36 -0.99 0.99 4.07 -1.92 -2.56 115.31 115.25 2eki h LEU 61 Ca -0.19 -0.02 0.36 0.00 0.08 0.00 0.00 57.88 58.12 2eki h LEU 61 Cb 0.63 -0.09 -0.17 0.00 1.08 0.00 0.00 40.66 42.11 2eki h LEU 61 CO 0.30 0.28 0.51 0.77 -1.08 0.00 0.00 178.44 179.23 2eki h SER 62 N 0.41 0.35 -2.83 -0.43 4.64 -1.96 -3.38 113.55 110.36 2eki h SER 62 Ca 0.11 0.23 -0.66 0.00 -0.47 0.00 0.00 61.79 61.00 2eki h SER 62 Cb 0.00 0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.24 2eki h SER 62 CO -0.02 -0.29 -0.51 0.68 -0.87 0.00 0.00 176.83 175.82 2eki s VAL 63 N -5.63 5.25 -0.10 0.95 -7.23 -0.97 -5.03 120.40 107.65 2eki s VAL 63 Ca -0.10 -0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 59.76 2eki s VAL 63 Cb 0.32 -3.35 -0.24 0.00 0.56 0.00 0.00 36.38 33.67 2eki s VAL 63 CO 0.78 0.49 0.94 0.11 -0.31 0.00 0.00 175.10 177.11 2eki h LYS 64 N 4.51 0.02 -4.30 4.82 6.56 -1.84 -3.44 116.57 122.89 2eki h LYS 64 Ca -0.52 -0.02 -0.60 0.00 -1.06 0.00 0.00 60.65 58.45 2eki h LYS 64 Cb 1.21 0.01 -0.38 0.00 -0.57 0.00 0.00 32.23 32.49 2eki h LYS 64 CO 0.62 0.84 -0.79 -1.01 -2.06 0.00 0.00 179.45 177.05 2eki s HIS 65 N -2.91 2.27 0.25 -1.35 3.76 -1.26 -5.11 115.29 110.95 2eki s HIS 65 Ca -0.18 -1.65 0.09 0.00 -0.15 0.00 0.00 55.06 53.17 2eki s HIS 65 Cb -0.01 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 2eki s HIS 65 CO 0.69 -0.75 0.03 0.54 -0.85 0.00 0.00 174.74 174.40 2eki s ASN 66 N 1.44 4.74 0.24 1.40 2.20 -1.26 -3.68 114.94 120.03 2eki s ASN 66 Ca -0.05 -0.54 -0.30 0.00 -0.94 0.00 0.00 52.86 51.03 2eki s ASN 66 Cb -0.18 -0.96 -0.09 0.00 -2.00 0.00 0.00 41.25 38.01 2eki s ASN 66 CO -0.06 0.01 1.27 -2.16 -2.94 0.00 0.00 177.10 173.21 2eki s PRO 67 N -3.60 4.42 -0.09 3.55 0.04 -1.26 -5.10 135.00 132.96 2eki s PRO 67 Ca 0.31 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2eki s PRO 67 Cb -0.07 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 2eki s PRO 67 CO 0.21 -0.16 -0.17 -1.14 0.04 0.00 0.00 177.00 175.78 2eki s GLN 68 N -0.76 2.93 -0.39 4.56 0.74 -1.24 -4.99 119.66 120.51 2eki s GLN 68 Ca 0.53 -0.75 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 2eki s GLN 68 Cb -0.36 -2.43 0.01 0.00 1.10 0.00 0.00 33.01 31.33 2eki s GLN 68 CO 0.42 0.36 1.25 0.21 -0.55 0.00 0.00 175.29 176.99 2eki s LYS 69 N -0.07 3.78 0.38 1.67 2.20 -1.26 -3.66 119.74 122.77 2eki s LYS 69 Ca -0.04 0.93 0.08 0.00 -0.36 0.00 0.00 55.97 56.59 2eki s LYS 69 Cb -0.14 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 2eki s LYS 69 CO 0.04 -1.29 0.10 0.14 -0.36 0.00 0.00 175.35 173.97 2eki s VAL 70 N 4.60 2.46 0.00 4.02 -7.23 -0.74 -4.97 120.40 118.55 2eki s VAL 70 Ca 0.54 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2eki s VAL 70 Cb -0.12 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2eki s VAL 70 CO 0.27 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2eki n GLY 71 N -1.10 1.74 0.00 2.32 0.00 -1.26 -2.47 105.19 104.43 2eki n GLY 71 Ca -0.03 -1.72 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 1.88 0.03 1.61 2.85 -1.26 -4.33 118.16 118.93 2eki n LYS 72 Ca 0.00 -0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.35 2eki n LYS 72 Cb 0.00 -1.22 0.08 0.00 -0.65 0.00 0.00 35.03 33.24 2eki n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2eki n ASP 73 N -1.45 0.63 -4.68 -5.58 9.92 -1.26 -2.70 116.55 111.44 2eki n ASP 73 Ca 0.02 -0.21 -0.45 0.00 -0.53 0.00 0.00 54.79 53.62 2eki n ASP 73 Cb 0.25 0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 41.30 2eki n ASP 73 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2eki n HIS 74 N -1.88 2.45 -2.25 1.24 -0.00 -1.26 -4.80 115.22 108.72 2eki n HIS 74 Ca 0.03 -0.06 -0.40 0.00 0.46 0.00 0.00 57.72 57.74 2eki n HIS 74 Cb 0.41 -2.69 -0.03 0.00 -0.12 0.00 0.00 29.99 27.57 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 3.10 3.02 -0.01 3.57 2.01 -1.26 -1.99 115.64 124.08 2eki s THR 75 Ca 0.86 0.99 -0.14 0.00 0.31 0.00 0.00 61.69 63.71 2eki s THR 75 Cb -0.58 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 2eki s THR 75 CO 0.43 0.21 0.39 -0.76 -0.69 0.00 0.00 174.62 174.19 2eki s LEU 76 N -1.86 4.47 0.37 4.42 1.43 -1.24 -4.86 118.68 121.41 2eki s LEU 76 Ca 0.49 0.92 0.07 0.00 -1.03 0.00 0.00 54.13 54.59 2eki s LEU 76 Cb -0.36 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 2eki s LEU 76 CO 0.47 0.33 0.43 -1.61 0.23 0.00 0.00 176.35 176.19 2eki s GLU 77 N -1.06 2.82 0.22 1.70 2.02 -1.26 -4.80 118.70 118.34 2eki s GLU 77 Ca 0.23 -1.25 -0.30 0.00 0.02 0.00 0.00 54.97 53.67 2eki s GLU 77 Cb -0.16 -2.62 -0.08 0.00 0.10 0.00 0.00 34.13 31.36 2eki s GLU 77 CO 0.13 -0.06 1.07 0.34 0.02 0.00 0.00 175.26 176.76 2eki s ASP 78 N -4.16 7.33 -1.10 -0.19 2.15 -1.26 -3.70 116.67 115.75 2eki s ASP 78 Ca 0.47 2.12 -0.00 0.00 0.43 0.00 0.00 52.55 55.57 2eki s ASP 78 Cb -0.07 -2.61 -0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2eki s ASP 78 CO 0.30 -0.13 0.92 -0.62 -0.17 0.00 0.00 175.17 175.47 2eki n GLU 79 N 1.82 -5.94 -4.68 4.34 1.02 -0.50 -4.92 120.64 111.78 2eki n GLU 79 Ca 0.01 0.78 -0.24 0.00 -0.02 0.00 0.00 57.16 57.69 2eki n GLU 79 Cb 0.46 -5.60 -0.15 0.00 -0.02 0.00 0.00 31.44 26.13 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 -4.22 2.06 -0.07 1.62 1.11 -1.22 -4.84 116.67 111.11 2eki s ASP 80 Ca 0.02 -0.39 -0.11 0.00 0.18 0.00 0.00 52.55 52.25 2eki s ASP 80 Cb -0.00 -0.20 -0.05 0.00 1.07 0.00 0.00 42.92 43.74 2eki s ASP 80 CO 0.67 0.16 0.27 -0.69 1.18 0.00 0.00 175.17 176.77 2eki s VAL 81 N -0.58 5.28 0.00 -1.27 1.01 -1.26 -0.13 120.40 123.46 2eki s VAL 81 Ca 0.06 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.57 2eki s VAL 81 Cb -0.07 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2eki s VAL 81 CO 0.00 0.58 -0.09 -0.51 0.00 0.00 0.00 175.10 175.09 2eki s ILE 82 N -0.92 0.67 -0.45 2.22 2.07 -0.83 -2.35 121.20 121.61 2eki s ILE 82 Ca 0.19 -0.49 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 2eki s ILE 82 Cb -0.14 -0.59 0.12 0.00 0.13 0.00 0.00 42.46 41.98 2eki s ILE 82 CO 0.08 0.10 0.19 -1.58 -1.91 0.00 0.00 174.94 171.82 2eki s GLN 83 N -0.44 1.84 -0.27 3.50 0.74 -1.12 -0.48 119.66 123.44 2eki s GLN 83 Ca 0.02 -2.23 -0.29 0.00 0.05 0.00 0.00 55.36 52.91 2eki s GLN 83 Cb -0.04 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 2eki s GLN 83 CO -0.00 -1.04 1.70 0.42 -0.55 0.00 0.00 175.29 175.81 2eki s ILE 84 N 0.37 3.59 -0.07 -2.34 -1.09 -1.26 -3.54 121.20 116.85 2eki s ILE 84 Ca 0.14 0.64 -0.05 0.00 -2.23 0.00 0.00 60.65 59.15 2eki s ILE 84 Cb -0.22 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2eki s ILE 84 CO -0.04 -0.36 0.15 -0.69 -1.23 0.00 0.00 174.94 172.77 2eki s VAL 85 N 5.92 5.43 -0.23 2.92 1.01 -1.00 -4.94 120.40 129.51 2eki s VAL 85 Ca 0.75 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.68 2eki s VAL 85 Cb -0.24 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2eki s VAL 85 CO 0.32 0.50 0.11 -0.54 0.00 0.00 0.00 175.10 175.49 2eki s LYS 86 N -1.40 3.92 -0.90 2.72 1.02 -1.26 -0.76 119.74 123.07 2eki s LYS 86 Ca 0.20 -0.35 -0.26 0.00 0.02 0.00 0.00 55.97 55.58 2eki s LYS 86 Cb -0.12 -3.41 -0.13 0.00 -0.52 0.00 0.00 37.83 33.65 2eki s LYS 86 CO 0.10 0.02 2.22 -1.59 -0.92 0.00 0.00 175.35 175.18 2eki s LYS 87 N 1.11 1.76 0.02 1.68 -2.85 -0.47 -4.87 119.74 116.11 2eki s LYS 87 Ca 0.06 0.01 0.05 0.00 -1.00 0.00 0.00 55.97 55.09 2eki s LYS 87 Cb -0.14 -4.92 -0.02 0.00 -2.06 0.00 0.00 37.83 30.70 2eki s LYS 87 CO 0.04 -4.44 -0.15 -1.12 0.10 0.00 0.00 175.35 169.78 2eki s SER 88 N 9.49 1.77 0.00 0.03 0.01 -1.26 -4.98 113.70 118.76 2eki s SER 88 Ca 0.84 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2eki s SER 88 Cb -0.09 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2eki s SER 88 CO 0.09 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2eki n GLY 89 N 2.21 0.75 3.77 3.44 0.00 -1.26 -5.07 105.19 109.03 2eki n GLY 89 Ca -0.16 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 2eki n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eki s PRO 90 N -0.78 3.57 -1.53 1.61 0.04 -1.26 -3.39 135.00 133.26 2eki s PRO 90 Ca 0.00 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 2eki s PRO 90 Cb 0.00 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.40 2eki s PRO 90 CO 0.00 -0.69 0.89 0.43 0.04 0.00 0.00 177.00 177.67 2eki n SER 91 N -0.86 -3.93 -4.65 6.66 7.64 -1.26 -4.90 113.62 112.31 2eki n SER 91 Ca 0.09 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.72 2eki n SER 91 Cb 0.49 -3.67 -0.03 0.00 -1.01 0.00 0.00 64.21 59.99 2eki n SER 91 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eki s SER 92 N -3.48 6.97 0.00 6.43 1.04 -1.22 -5.32 113.70 118.12 2eki s SER 92 Ca 0.57 1.21 0.16 0.00 0.48 0.00 0.00 55.95 58.37 2eki s SER 92 Cb -0.29 -2.48 0.12 0.00 0.10 0.00 0.00 66.02 63.47 2eki s SER 92 CO 0.85 -0.56 1.00 0.61 0.98 0.00 0.00 173.24 176.12