#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 3.41 0.12 1.61 0.01 -1.26 -5.10 113.70 112.49 2eki s SER 2 Ca 0.00 -0.99 -0.30 0.00 1.31 0.00 0.00 55.95 55.97 2eki s SER 2 Cb 0.00 -0.96 -0.17 0.00 0.21 0.00 0.00 66.02 65.10 2eki s SER 2 CO 0.00 -0.25 0.65 -1.54 0.41 0.00 0.00 173.24 172.52 2eki n SER 3 N 4.82 -0.78 0.00 2.44 3.41 -1.26 -4.94 113.62 117.31 2eki n SER 3 Ca -0.11 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2eki n SER 3 Cb 0.46 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2eki n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eki n GLY 4 N 1.70 2.13 3.45 5.00 0.00 -1.26 -5.18 105.19 111.04 2eki n GLY 4 Ca 0.17 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 2eki n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eki s SER 5 N 0.00 -0.55 0.26 1.61 0.01 -1.26 -5.18 113.70 108.59 2eki s SER 5 Ca 0.00 0.92 -0.10 0.00 1.31 0.00 0.00 55.95 58.08 2eki s SER 5 Cb 0.00 0.93 -0.01 0.00 0.21 0.00 0.00 66.02 67.15 2eki s SER 5 CO 0.00 -0.31 0.45 -0.94 0.41 0.00 0.00 173.24 172.85 2eki s SER 6 N -0.20 0.09 0.00 2.44 1.04 -1.26 -5.06 113.70 110.74 2eki s SER 6 Ca -0.04 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2eki s SER 6 Cb -0.03 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.67 2eki s SER 6 CO 0.03 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2eki n GLY 7 N -0.40 0.73 1.31 7.32 0.00 -1.26 -5.01 105.19 107.87 2eki n GLY 7 Ca -0.01 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 1.21 -1.77 1.61 0.18 -1.26 -4.85 117.16 112.27 2eki n TYR 8 Ca 0.00 -0.45 -0.19 0.00 1.88 0.00 0.00 57.90 59.13 2eki n TYR 8 Cb 0.00 -0.26 -0.08 0.00 -0.38 0.00 0.00 39.34 38.62 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 -1.62 2.83 0.68 -3.48 1.98 -1.26 -4.92 118.68 112.89 2eki s LEU 9 Ca 0.37 -0.66 -0.13 0.00 -2.89 0.00 0.00 54.13 50.82 2eki s LEU 9 Cb 0.25 -2.57 0.01 0.00 0.66 0.00 0.00 46.19 44.54 2eki s LEU 9 CO 0.15 -3.72 1.09 -0.75 -1.89 0.00 0.00 176.35 171.23 2eki s LYS 10 N 7.95 2.76 -0.13 1.98 2.20 -1.26 -4.83 119.74 128.41 2eki s LYS 10 Ca 0.80 1.24 0.03 0.00 -0.36 0.00 0.00 55.97 57.68 2eki s LYS 10 Cb -0.07 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 2eki s LYS 10 CO 0.09 -1.26 -0.21 -0.51 -0.36 0.00 0.00 175.35 173.10 2eki s LEU 11 N -5.18 2.18 -0.12 5.43 1.02 -1.26 -0.26 118.68 120.50 2eki s LEU 11 Ca 0.64 -0.56 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 2eki s LEU 11 Cb -0.18 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 2eki s LEU 11 CO 0.46 0.11 0.01 0.68 0.02 0.00 0.00 176.35 177.63 2eki s VAL 12 N 0.66 4.36 0.12 -1.59 -7.23 0.19 -4.94 120.40 111.96 2eki s VAL 12 Ca -0.10 -0.22 -0.24 0.00 -1.81 0.00 0.00 61.98 59.61 2eki s VAL 12 Cb -0.16 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 33.83 2eki s VAL 12 CO 0.02 0.56 0.72 -0.13 -0.31 0.00 0.00 175.10 175.96 2eki s ARG 13 N -0.43 4.46 -0.28 4.82 3.00 -1.26 -1.70 118.95 127.57 2eki s ARG 13 Ca 0.08 1.03 -0.01 0.00 0.00 0.00 0.00 55.73 56.83 2eki s ARG 13 Cb -0.12 -3.27 0.09 0.00 0.00 0.00 0.00 34.95 31.64 2eki s ARG 13 CO 0.02 0.54 0.07 0.42 0.00 0.00 0.00 175.30 176.36 2eki s ILE 14 N -0.96 0.79 -0.03 1.52 -1.09 -0.50 -0.68 121.20 120.26 2eki s ILE 14 Ca 0.34 -1.15 -0.30 0.00 -2.23 0.00 0.00 60.65 57.31 2eki s ILE 14 Cb -0.22 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 2eki s ILE 14 CO 0.24 -0.52 1.27 -0.31 -1.23 0.00 0.00 174.94 174.38 2eki s TYR 15 N 1.68 3.10 0.12 3.97 2.02 0.42 -2.84 117.35 125.83 2eki s TYR 15 Ca 0.06 1.09 -0.16 0.00 -0.37 0.00 0.00 57.07 57.69 2eki s TYR 15 Cb -0.17 -3.50 -0.07 0.00 -0.40 0.00 0.00 41.96 37.82 2eki s TYR 15 CO -0.20 -1.70 0.55 -0.08 -1.57 0.00 0.00 175.55 172.55 2eki s THR 16 N 2.17 4.83 -0.22 -0.71 -1.32 -1.26 -0.24 115.64 118.89 2eki s THR 16 Ca 0.59 0.94 -0.03 0.00 -1.21 0.00 0.00 61.69 61.98 2eki s THR 16 Cb -0.27 -3.78 -0.00 0.00 -1.51 0.00 0.00 72.50 66.93 2eki s THR 16 CO 0.24 0.35 -0.06 -0.75 -2.21 0.00 0.00 174.62 172.19 2eki s LYS 17 N -1.66 3.33 0.53 7.08 2.20 0.23 -3.22 119.74 128.23 2eki s LYS 17 Ca 0.34 -0.65 -0.20 0.00 -0.36 0.00 0.00 55.97 55.11 2eki s LYS 17 Cb -0.16 -2.96 -0.06 0.00 -1.51 0.00 0.00 37.83 33.14 2eki s LYS 17 CO 0.19 -0.20 1.13 -1.25 -0.36 0.00 0.00 175.35 174.86 2eki s PRO 18 N 1.46 3.40 -0.53 4.03 0.04 -1.26 -4.17 135.00 137.97 2eki s PRO 18 Ca 0.06 1.62 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 2eki s PRO 18 Cb -0.14 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2eki s PRO 18 CO -0.05 -0.81 2.39 -1.59 0.04 0.00 0.00 177.00 176.98 2eki s LYS 19 N -3.23 2.06 0.00 4.56 -2.85 -1.26 -3.05 119.74 115.97 2eki s LYS 19 Ca 0.72 1.29 0.00 0.00 -1.00 0.00 0.00 55.97 56.97 2eki s LYS 19 Cb -0.24 -4.60 0.00 0.00 -2.06 0.00 0.00 37.83 30.93 2eki s LYS 19 CO 0.27 -3.39 0.00 0.41 0.10 0.00 0.00 175.35 172.74 2eki n GLY 20 N 6.08 2.76 3.60 0.59 0.00 -1.26 -5.03 105.19 111.93 2eki n GLY 20 Ca 0.37 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.42 0.41 1.61 -1.52 -1.17 -5.02 119.66 113.55 2eki s GLN 21 Ca 0.00 0.44 -0.16 0.00 -1.95 0.00 0.00 55.36 53.69 2eki s GLN 21 Cb 0.00 -1.65 -0.09 0.00 -0.22 0.00 0.00 33.01 31.06 2eki s GLN 21 CO 0.00 -3.28 0.85 -0.48 -0.25 0.00 0.00 175.29 172.13 2eki s LEU 22 N -6.81 3.89 -0.01 2.90 0.05 -1.26 -4.10 118.68 113.34 2eki s LEU 22 Ca 0.67 1.42 -0.30 0.00 0.05 0.00 0.00 54.13 55.98 2eki s LEU 22 Cb -0.18 -4.28 -0.06 0.00 -2.05 0.00 0.00 46.19 39.62 2eki s LEU 22 CO 0.59 -0.36 1.46 -2.16 -0.55 0.00 0.00 176.35 175.32 2eki s PRO 23 N -3.43 4.25 0.46 1.48 0.04 -1.26 -4.38 135.00 132.16 2eki s PRO 23 Ca 0.57 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 2eki s PRO 23 Cb -0.10 -3.64 -0.08 0.00 0.04 0.00 0.00 34.50 30.71 2eki s PRO 23 CO 0.22 -0.64 1.05 0.34 0.04 0.00 0.00 177.00 178.01 2eki s ASP 24 N 2.14 6.45 -0.16 6.66 -1.08 -1.20 -4.97 116.67 124.51 2eki s ASP 24 Ca 0.66 1.99 0.14 0.00 -0.52 0.00 0.00 52.55 54.82 2eki s ASP 24 Cb -0.32 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 38.93 2eki s ASP 24 CO 0.27 -0.71 1.18 -1.22 0.52 0.00 0.00 175.17 175.21 2eki n TYR 25 N -0.66 0.00 0.00 -5.34 4.01 -1.26 -4.40 117.16 109.51 2eki n TYR 25 Ca 0.08 -1.18 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 2eki n TYR 25 Cb 0.51 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.01 0.00 -2.53 -0.72 -2.24 -1.26 -4.79 114.28 101.73 2eki n THR 26 Ca 0.16 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 2eki n THR 26 Cb 0.72 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.11 3.02 -2.79 3.42 7.64 -1.26 -5.09 113.62 117.44 2eki n SER 27 Ca 0.00 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.84 2eki n SER 27 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 -0.41 -0.46 -4.58 1.43 -0.04 -1.26 -4.90 135.00 124.78 2eki n PRO 28 Ca 0.23 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.46 2eki n PRO 28 Cb 0.80 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 34.10 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 -0.72 1.09 -0.59 0.52 0.11 -1.13 -4.99 120.40 114.69 2eki s VAL 29 Ca 0.00 -0.49 -0.16 0.00 -2.93 0.00 0.00 61.98 58.39 2eki s VAL 29 Cb 0.00 -0.97 0.13 0.00 -1.53 0.00 0.00 36.38 34.01 2eki s VAL 29 CO 0.00 0.33 0.58 -0.69 -3.33 0.00 0.00 175.10 171.99 2eki s VAL 30 N 0.36 5.16 0.16 2.04 1.01 -1.26 -1.41 120.40 126.47 2eki s VAL 30 Ca -0.08 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 2eki s VAL 30 Cb -0.12 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2eki s VAL 30 CO 0.02 -0.95 0.35 -0.76 0.00 0.00 0.00 175.10 173.75 2eki s LEU 31 N 1.71 4.27 0.60 3.92 1.43 -0.69 -4.90 118.68 125.02 2eki s LEU 31 Ca 0.07 0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.38 2eki s LEU 31 Cb -0.26 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 2eki s LEU 31 CO 0.02 0.02 1.12 -2.16 0.23 0.00 0.00 176.35 175.59 2eki s PRO 32 N -3.05 3.10 -0.00 1.29 0.04 -1.26 -0.64 135.00 134.49 2eki s PRO 32 Ca 0.38 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2eki s PRO 32 Cb -0.12 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2eki s PRO 32 CO 0.28 -1.03 0.61 -0.92 0.04 0.00 0.00 177.00 175.98 2eki h TYR 33 N 0.67 -0.06 -0.78 0.56 5.03 -0.95 -3.26 116.97 118.18 2eki h TYR 33 Ca -0.49 -0.00 0.26 0.00 2.58 0.00 0.00 58.73 61.08 2eki h TYR 33 Cb 1.25 0.02 -0.14 0.00 1.55 0.00 0.00 36.73 39.41 2eki h TYR 33 CO 0.53 -0.04 0.17 -1.13 -1.32 0.00 0.00 178.16 176.37 2eki n SER 34 N -2.27 0.04 -4.18 -2.11 3.41 -1.26 -2.92 113.62 104.33 2eki n SER 34 Ca -0.01 1.32 -0.40 0.00 -0.26 0.00 0.00 58.87 59.52 2eki n SER 34 Cb 0.03 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 63.35 2eki n SER 34 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2eki s ARG 35 N -5.52 2.42 -0.18 4.33 3.00 -1.23 -5.03 118.95 116.74 2eki s ARG 35 Ca -0.09 -1.88 -0.03 0.00 0.00 0.00 0.00 55.73 53.72 2eki s ARG 35 Cb 0.24 -3.85 0.06 0.00 0.00 0.00 0.00 34.95 31.40 2eki s ARG 35 CO 0.61 -1.17 0.05 0.95 0.00 0.00 0.00 175.30 175.74 2eki s THR 36 N 1.12 0.33 -0.16 0.02 -4.23 -1.15 -4.06 115.64 107.52 2eki s THR 36 Ca 0.08 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 59.88 2eki s THR 36 Cb -0.24 -0.88 0.10 0.00 1.34 0.00 0.00 72.50 72.82 2eki s THR 36 CO -0.02 -0.22 0.86 0.42 -0.54 0.00 0.00 174.62 175.12 2eki s THR 37 N 1.95 0.00 0.32 3.99 -4.23 -1.26 -3.54 115.64 112.86 2eki s THR 37 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 2eki s THR 37 Cb -0.17 -1.00 0.35 0.00 1.34 0.00 0.00 72.50 73.03 2eki s THR 37 CO -0.08 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 176.19 2eki h VAL 38 N 3.10 0.15 -0.35 2.29 2.07 -1.28 0.46 116.25 122.70 2eki h VAL 38 Ca -0.24 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2eki h VAL 38 Cb 1.16 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2eki h VAL 38 CO 0.26 0.02 0.17 1.05 0.02 0.00 0.00 177.57 179.09 2eki h GLU 39 N 0.12 0.51 -0.98 1.57 4.11 -1.82 -2.39 114.58 115.70 2eki h GLU 39 Ca 0.65 -0.08 0.18 0.00 0.07 0.00 0.00 59.36 60.19 2eki h GLU 39 Cb 1.46 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.53 2eki h GLU 39 CO -0.76 0.46 0.61 0.22 0.07 0.00 0.00 179.01 179.62 2eki h ASP 40 N 0.44 0.70 -0.18 3.06 3.58 -0.40 -0.93 116.42 122.68 2eki h ASP 40 Ca 0.12 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 2eki h ASP 40 Cb 0.12 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2eki h ASP 40 CO -0.02 0.28 -0.13 0.15 -2.88 0.00 0.00 179.24 176.64 2eki h PHE 41 N 0.70 0.49 -0.83 0.28 3.04 -1.03 -3.05 116.94 116.53 2eki h PHE 41 Ca 0.54 -0.13 0.15 0.00 3.98 0.00 0.00 57.97 62.50 2eki h PHE 41 Cb 0.92 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 39.26 2eki h PHE 41 CO -0.00 0.75 0.55 0.00 -2.02 0.00 0.00 178.31 177.58 2eki h MET 43 N 0.53 1.10 -0.45 0.00 2.86 -1.27 -0.25 114.93 117.44 2eki h MET 43 Ca 0.42 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.99 2eki h MET 43 Cb 0.84 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2eki h MET 43 CO -0.16 0.76 0.30 0.87 1.06 0.00 0.00 176.91 179.74 2eki h LYS 44 N 1.12 0.51 0.00 1.72 1.79 -1.08 -3.28 116.57 117.35 2eki h LYS 44 Ca 0.30 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2eki h LYS 44 Cb -0.07 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 2eki h LYS 44 CO -0.06 0.34 0.00 -0.89 -1.08 0.00 0.00 179.45 177.76 2eki n ILE 45 N -4.48 0.00 -3.63 1.86 2.08 -0.76 -4.94 119.36 109.50 2eki n ILE 45 Ca 0.05 0.49 -0.19 0.00 0.56 0.00 0.00 62.75 63.65 2eki n ILE 45 Cb 0.12 -1.46 -0.16 0.00 -0.75 0.00 0.00 39.64 37.40 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 -0.97 -0.11 0.66 1.39 2.46 -0.18 -5.00 115.29 113.54 2eki s HIS 46 Ca 0.00 0.37 0.25 0.00 0.47 0.00 0.00 55.06 56.16 2eki s HIS 46 Cb 0.00 -0.37 1.36 0.00 -0.13 0.00 0.00 32.58 33.44 2eki s HIS 46 CO 0.00 -0.34 1.77 1.57 -2.47 0.00 0.00 174.74 175.27 2eki h LYS 47 N 8.38 0.00 -0.63 2.88 2.10 -1.75 0.67 116.57 128.21 2eki h LYS 47 Ca -0.14 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.16 2eki h LYS 47 Cb 1.13 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.25 2eki h LYS 47 CO 0.18 0.00 0.17 0.09 -2.00 0.00 0.00 179.45 177.90 2eki n ASN 48 N -2.92 3.50 -0.11 7.07 5.03 -1.26 -4.54 115.26 122.03 2eki n ASN 48 Ca -0.00 -3.74 -0.23 0.00 0.87 0.00 0.00 54.58 51.47 2eki n ASN 48 Cb 0.52 -0.71 -0.12 0.00 -1.02 0.00 0.00 39.78 38.46 2eki n ASN 48 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2eki n LEU 49 N -1.09 2.37 -0.37 3.41 7.94 0.23 -4.34 117.00 125.15 2eki n LEU 49 Ca 0.45 0.18 0.28 0.00 -1.11 0.00 0.00 56.01 55.81 2eki n LEU 49 Cb 1.19 -0.92 0.55 0.00 0.53 0.00 0.00 43.42 44.76 2eki n LEU 49 CO 0.39 0.68 1.20 -0.29 -1.11 0.00 0.00 177.39 178.26 2eki h ILE 50 N -0.52 0.32 -0.86 1.96 6.09 -1.80 0.81 117.51 123.53 2eki h ILE 50 Ca -0.56 -0.09 -0.00 0.00 -1.37 0.00 0.00 64.86 62.84 2eki h ILE 50 Cb 1.72 0.03 -0.04 0.00 0.47 0.00 0.00 36.82 39.00 2eki h ILE 50 CO -0.20 0.05 0.52 0.11 -3.07 0.00 0.00 178.15 175.56 2eki h LYS 51 N 0.27 1.16 0.00 2.19 1.57 -1.88 -2.43 116.57 117.44 2eki h LYS 51 Ca 0.71 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 2eki h LYS 51 Cb 1.93 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 34.00 2eki h LYS 51 CO -0.42 0.81 -0.79 0.93 -0.57 0.00 0.00 179.45 179.41 2eki h GLU 52 N 1.17 0.00 -6.47 3.15 4.39 -0.01 -3.47 114.58 113.34 2eki h GLU 52 Ca 0.31 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.44 2eki h GLU 52 Cb -0.06 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2eki h GLU 52 CO -0.06 0.00 1.00 0.34 -1.16 0.00 0.00 179.01 179.13 2eki n PHE 53 N -2.56 2.46 -0.05 4.33 -0.00 0.22 -0.62 117.46 121.25 2eki n PHE 53 Ca 0.01 0.03 -0.06 0.00 -0.00 0.00 0.00 57.45 57.44 2eki n PHE 53 Cb 0.52 -2.65 -0.02 0.00 -0.00 0.00 0.00 39.48 37.32 2eki n PHE 53 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2eki n LYS 54 N 4.98 0.32 -3.99 -4.13 4.81 0.41 -4.80 118.16 115.77 2eki n LYS 54 Ca 0.18 0.13 -0.09 0.00 -0.87 0.00 0.00 58.31 57.66 2eki n LYS 54 Cb 0.33 -1.05 -0.06 0.00 0.02 0.00 0.00 35.03 34.27 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 -2.24 0.39 -0.03 5.64 -0.85 -1.24 -4.83 117.35 114.19 2eki s TYR 55 Ca -0.18 -0.74 0.02 0.00 -0.52 0.00 0.00 57.07 55.65 2eki s TYR 55 Cb 0.02 0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.49 2eki s TYR 55 CO 0.26 -0.93 -0.08 0.00 -1.52 0.00 0.00 175.55 173.29 2eki s ALA 56 N -4.01 0.80 -0.52 9.51 0.00 -0.70 -2.80 121.76 124.04 2eki s ALA 56 Ca 0.22 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2eki s ALA 56 Cb 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 23.12 22.92 2eki s ALA 56 CO 0.07 0.11 0.42 -0.51 0.00 0.00 0.00 175.76 175.85 2eki s LEU 57 N 0.33 5.88 0.34 0.00 1.43 -1.24 -0.98 118.68 124.44 2eki s LEU 57 Ca -0.05 -1.97 -0.23 0.00 -1.03 0.00 0.00 54.13 50.84 2eki s LEU 57 Cb -0.10 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 2eki s LEU 57 CO 0.01 -0.72 0.91 -0.69 0.23 0.00 0.00 176.35 176.09 2eki s VAL 58 N 1.28 4.32 -0.40 -1.59 1.01 -1.22 -3.11 120.40 120.70 2eki s VAL 58 Ca 0.06 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.69 2eki s VAL 58 Cb -0.26 -3.87 0.13 0.00 0.00 0.00 0.00 36.38 32.38 2eki s VAL 58 CO -0.00 0.02 0.22 0.26 0.00 0.00 0.00 175.10 175.59 2eki s TRP 59 N -1.76 1.49 -0.35 5.22 0.51 -0.43 -3.70 118.94 119.91 2eki s TRP 59 Ca 0.52 -2.08 0.00 0.00 -2.12 0.00 0.00 56.10 52.43 2eki s TRP 59 Cb -0.16 -1.51 0.00 0.00 -0.81 0.00 0.00 33.47 30.99 2eki s TRP 59 CO 0.20 -0.81 0.00 0.41 -0.51 0.00 0.00 176.95 176.25 2eki n GLY 60 N 3.82 -0.64 0.26 0.98 0.00 -1.26 -3.89 105.19 104.46 2eki n GLY 60 Ca 0.09 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 0.93 -1.18 0.99 4.07 -1.97 -3.14 115.31 115.01 2eki h LEU 61 Ca 0.00 -0.44 0.41 0.00 0.08 0.00 0.00 57.88 57.93 2eki h LEU 61 Cb 0.00 -0.26 -0.12 0.00 1.08 0.00 0.00 40.66 41.36 2eki h LEU 61 CO 0.00 1.22 0.76 -1.54 -1.08 0.00 0.00 178.44 177.79 2eki n SER 62 N -4.04 0.19 -4.66 -0.43 3.41 -1.26 -4.33 113.62 102.50 2eki n SER 62 Ca -0.03 1.20 -0.24 0.00 -0.26 0.00 0.00 58.87 59.55 2eki n SER 62 Cb 0.56 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 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 -5.03 2.78 -0.24 -3.33 -7.23 -1.19 -5.06 120.40 101.11 2eki s VAL 63 Ca -0.06 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2eki s VAL 63 Cb 0.27 -2.84 -0.19 0.00 0.56 0.00 0.00 36.38 34.17 2eki s VAL 63 CO 0.71 -0.21 -0.13 0.29 -0.31 0.00 0.00 175.10 175.45 2eki n LYS 64 N -1.00 0.67 -3.78 4.82 4.76 -1.26 -4.79 118.16 117.59 2eki n LYS 64 Ca -0.04 0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 2eki n LYS 64 Cb 0.62 -1.51 -0.16 0.00 -1.84 0.00 0.00 35.03 32.14 2eki n LYS 64 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2eki s HIS 65 N -2.50 1.69 0.23 2.13 3.76 -1.26 -5.13 115.29 114.21 2eki s HIS 65 Ca -0.26 -1.51 0.07 0.00 -0.15 0.00 0.00 55.06 53.21 2eki s HIS 65 Cb 0.08 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 2eki s HIS 65 CO 0.66 -0.78 0.13 0.54 -0.85 0.00 0.00 174.74 174.44 2eki s ASN 66 N 1.63 5.25 0.20 1.40 2.20 -1.26 -3.61 114.94 120.75 2eki s ASN 66 Ca 0.04 -0.33 -0.30 0.00 -0.94 0.00 0.00 52.86 51.33 2eki s ASN 66 Cb -0.18 -1.26 -0.09 0.00 -2.00 0.00 0.00 41.25 37.73 2eki s ASN 66 CO -0.16 -0.00 1.30 -2.16 -2.94 0.00 0.00 177.10 173.14 2eki s PRO 67 N -3.61 4.39 -0.23 3.55 0.04 -1.26 -5.13 135.00 132.76 2eki s PRO 67 Ca 0.32 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.33 2eki s PRO 67 Cb -0.08 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2eki s PRO 67 CO 0.23 -0.25 0.06 -1.14 0.04 0.00 0.00 177.00 175.95 2eki s GLN 68 N -0.13 3.74 -0.49 4.56 0.74 -1.24 -4.98 119.66 121.86 2eki s GLN 68 Ca 0.56 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 55.25 2eki s GLN 68 Cb -0.36 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.48 2eki s GLN 68 CO 0.38 -0.05 1.56 0.21 -0.55 0.00 0.00 175.29 176.85 2eki s LYS 69 N 1.23 3.27 0.37 1.67 2.20 -1.26 -3.45 119.74 123.76 2eki s LYS 69 Ca 0.05 0.79 0.08 0.00 -0.36 0.00 0.00 55.97 56.52 2eki s LYS 69 Cb -0.14 -4.16 -0.04 0.00 -1.51 0.00 0.00 37.83 31.98 2eki s LYS 69 CO 0.03 -1.96 0.24 0.14 -0.36 0.00 0.00 175.35 173.45 2eki s VAL 70 N 6.56 2.89 0.00 4.02 -7.23 -0.15 -4.93 120.40 121.55 2eki s VAL 70 Ca 0.62 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2eki s VAL 70 Cb -0.14 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2eki s VAL 70 CO 0.28 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2eki n GLY 71 N -1.32 2.73 0.06 2.32 0.00 -1.26 -1.72 105.19 106.01 2eki n GLY 71 Ca -0.01 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 0.39 0.00 1.61 -0.00 -1.26 -3.81 118.16 115.10 2eki n LYS 72 Ca 0.00 0.04 0.13 0.00 -0.00 0.00 0.00 58.31 58.48 2eki n LYS 72 Cb 0.00 -1.67 0.40 0.00 -0.00 0.00 0.00 35.03 33.76 2eki n LYS 72 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2eki n ASP 73 N -2.20 0.70 -4.76 -5.58 2.03 -1.26 -3.00 116.55 102.48 2eki n ASP 73 Ca 0.01 -0.56 -0.41 0.00 0.52 0.00 0.00 54.79 54.36 2eki n ASP 73 Cb 0.47 0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.94 2eki n ASP 73 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2eki s HIS 74 N -2.67 2.98 0.02 -0.67 2.46 -1.25 -4.86 115.29 111.30 2eki s HIS 74 Ca 0.21 1.24 -0.22 0.00 0.47 0.00 0.00 55.06 56.75 2eki s HIS 74 Cb 0.19 -3.78 -0.05 0.00 -0.13 0.00 0.00 32.58 28.81 2eki s HIS 74 CO 0.56 -2.31 0.66 0.99 -2.47 0.00 0.00 174.74 172.18 2eki s THR 75 N -0.71 4.83 0.42 0.89 2.01 -1.26 -1.23 115.64 120.59 2eki s THR 75 Ca 0.53 1.40 -0.02 0.00 0.31 0.00 0.00 61.69 63.91 2eki s THR 75 Cb -0.41 -4.00 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 2eki s THR 75 CO 0.51 0.40 0.67 -0.76 -0.69 0.00 0.00 174.62 174.75 2eki s LEU 76 N -0.18 3.78 0.20 4.42 1.43 -1.23 -4.88 118.68 122.22 2eki s LEU 76 Ca 0.34 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 2eki s LEU 76 Cb -0.19 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 2eki s LEU 76 CO 0.20 -0.49 -0.03 -1.61 0.23 0.00 0.00 176.35 174.65 2eki s GLU 77 N -4.54 1.24 0.35 1.70 0.41 -1.26 -4.80 118.70 111.80 2eki s GLU 77 Ca 0.44 -1.60 -0.27 0.00 -0.41 0.00 0.00 54.97 53.14 2eki s GLU 77 Cb -0.10 -0.59 -0.09 0.00 -1.78 0.00 0.00 34.13 31.57 2eki s GLU 77 CO 0.40 -0.05 1.18 0.34 -0.49 0.00 0.00 175.26 176.65 2eki s ASP 78 N -3.25 6.78 -1.12 -0.19 2.15 -1.26 -3.51 116.67 116.26 2eki s ASP 78 Ca 0.25 2.40 -0.01 0.00 0.43 0.00 0.00 52.55 55.62 2eki s ASP 78 Cb 0.05 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2eki s ASP 78 CO 0.06 -0.50 0.94 -0.62 -0.17 0.00 0.00 175.17 174.88 2eki n GLU 79 N 0.53 -6.26 -4.59 4.34 1.02 0.14 -4.85 120.64 110.96 2eki n GLU 79 Ca 0.02 0.78 -0.22 0.00 -0.02 0.00 0.00 57.16 57.72 2eki n GLU 79 Cb 0.45 -5.61 -0.15 0.00 -0.02 0.00 0.00 31.44 26.12 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 -4.14 1.67 -0.20 1.62 1.11 -1.21 -4.93 116.67 110.59 2eki s ASP 80 Ca 0.07 -0.30 -0.09 0.00 0.18 0.00 0.00 52.55 52.40 2eki s ASP 80 Cb -0.03 -0.17 -0.05 0.00 1.07 0.00 0.00 42.92 43.74 2eki s ASP 80 CO 0.67 0.15 0.12 -0.69 1.18 0.00 0.00 175.17 176.60 2eki s VAL 81 N -0.44 5.26 0.06 -1.27 1.01 -1.25 -0.43 120.40 123.34 2eki s VAL 81 Ca 0.05 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2eki s VAL 81 Cb -0.06 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2eki s VAL 81 CO -0.00 0.44 -0.16 -0.51 0.00 0.00 0.00 175.10 174.87 2eki s ILE 82 N 0.39 1.29 -0.49 2.22 2.07 0.66 -1.32 121.20 126.03 2eki s ILE 82 Ca 0.07 -1.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.13 2eki s ILE 82 Cb -0.11 -1.18 0.13 0.00 0.13 0.00 0.00 42.46 41.43 2eki s ILE 82 CO -0.01 -0.03 0.26 -1.58 -1.91 0.00 0.00 174.94 171.67 2eki s GLN 83 N -1.40 2.04 -0.35 3.50 0.74 -1.18 0.74 119.66 123.75 2eki s GLN 83 Ca 0.02 -2.30 -0.29 0.00 0.05 0.00 0.00 55.36 52.85 2eki s GLN 83 Cb -0.09 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.55 2eki s GLN 83 CO 0.02 -1.09 1.62 0.42 -0.55 0.00 0.00 175.29 175.71 2eki s ILE 84 N 0.28 3.68 -0.07 -2.34 -1.09 -1.26 -3.61 121.20 116.78 2eki s ILE 84 Ca 0.14 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 2eki s ILE 84 Cb -0.22 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 2eki s ILE 84 CO -0.03 -0.55 -0.05 0.68 -1.23 0.00 0.00 174.94 173.76 2eki s VAL 85 N 6.11 3.85 -0.09 2.92 -7.23 -1.12 -4.87 120.40 119.97 2eki s VAL 85 Ca 0.71 -0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 60.45 2eki s VAL 85 Cb -0.19 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 2eki s VAL 85 CO 0.33 0.60 -0.03 -0.54 -0.31 0.00 0.00 175.10 175.15 2eki s LYS 86 N -0.79 2.98 0.20 4.82 1.02 -1.26 -0.45 119.74 126.27 2eki s LYS 86 Ca 0.12 -0.47 -0.31 0.00 0.02 0.00 0.00 55.97 55.33 2eki s LYS 86 Cb -0.11 -2.73 -0.15 0.00 -0.52 0.00 0.00 37.83 34.31 2eki s LYS 86 CO 0.02 0.63 1.05 1.63 -0.92 0.00 0.00 175.35 177.76 2eki n LYS 87 N 2.34 1.06 -3.19 1.68 5.02 0.21 -4.86 118.16 120.42 2eki n LYS 87 Ca -0.18 0.38 -0.46 0.00 -2.02 0.00 0.00 58.31 56.03 2eki n LYS 87 Cb 0.53 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 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 -0.26 6.41 -0.01 4.39 0.15 -1.26 -5.01 113.70 118.11 2eki s SER 88 Ca 0.69 -1.96 -0.05 0.00 0.70 0.00 0.00 55.95 55.32 2eki s SER 88 Cb -0.83 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 2eki s SER 88 CO 0.55 -0.89 0.11 -0.83 1.20 0.00 0.00 173.24 173.38 2eki s GLY 89 N 3.19 0.02 -0.36 9.45 0.00 -1.26 -5.11 107.32 113.24 2eki s GLY 89 Ca 0.14 -0.00 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 2eki s GLY 89 CO -0.01 -0.10 1.71 2.56 0.00 0.00 0.00 173.10 177.26 2eki s PRO 90 N -0.85 3.35 -0.11 2.90 0.04 -1.26 -4.87 135.00 134.19 2eki s PRO 90 Ca -0.09 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.21 2eki s PRO 90 Cb -0.05 -4.17 0.07 0.00 0.04 0.00 0.00 34.50 30.39 2eki s PRO 90 CO 0.01 -1.84 2.04 0.43 0.04 0.00 0.00 177.00 177.68 2eki n SER 91 N 10.08 5.74 -3.69 6.66 7.64 -1.26 -4.74 113.62 134.04 2eki n SER 91 Ca 0.21 -2.64 -0.10 0.00 1.01 0.00 0.00 58.87 57.34 2eki n SER 91 Cb 0.47 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 2eki n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eki s SER 92 N 1.36 -0.45 0.00 6.43 0.01 -1.26 -5.36 113.70 114.43 2eki s SER 92 Ca 0.12 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2eki s SER 92 Cb 0.09 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.11 2eki s SER 92 CO -0.00 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.06