#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eei s SER 2 N 0.00 5.31 0.25 1.61 1.04 -1.26 -5.11 113.70 115.55 2eei s SER 2 Ca 0.00 0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 2eei s SER 2 Cb 0.00 -1.62 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 2eei s SER 2 CO 0.00 0.32 0.54 -0.44 0.98 0.00 0.00 173.24 174.65 2eei s SER 3 N -0.55 6.53 0.17 7.02 0.01 -1.26 -5.08 113.70 120.53 2eei s SER 3 Ca 0.10 0.80 -0.13 0.00 1.31 0.00 0.00 55.95 58.03 2eei s SER 3 Cb -0.12 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 63.86 2eei s SER 3 CO 0.02 -0.13 0.55 -0.83 0.41 0.00 0.00 173.24 173.26 2eei s GLY 4 N -2.76 2.41 0.23 3.44 0.00 -1.26 -5.06 107.32 104.32 2eei s GLY 4 Ca 0.45 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.71 2eei s GLY 4 CO 0.26 0.08 0.94 -1.35 0.00 0.00 0.00 173.10 173.03 2eei s SER 5 N -1.88 7.63 -0.08 1.64 1.04 -1.26 -5.05 113.70 115.74 2eei s SER 5 Ca 0.40 1.94 -0.30 0.00 0.48 0.00 0.00 55.95 58.48 2eei s SER 5 Cb -0.14 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.47 2eei s SER 5 CO 0.20 0.14 0.84 -0.94 0.98 0.00 0.00 173.24 174.45 2eei s SER 6 N -1.08 -0.49 -1.06 7.02 1.04 -1.26 -5.10 113.70 112.77 2eei s SER 6 Ca 0.42 0.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 2eei s SER 6 Cb -0.26 0.42 0.21 0.00 0.10 0.00 0.00 66.02 66.49 2eei s SER 6 CO 0.32 -0.51 1.15 -0.83 0.98 0.00 0.00 173.24 174.35 2eei s GLY 7 N -1.39 2.67 0.70 7.32 0.00 -1.26 -5.03 107.32 110.32 2eei s GLY 7 Ca -0.04 -3.43 -0.15 0.00 0.00 0.00 0.00 44.72 41.10 2eei s GLY 7 CO 0.03 1.65 1.18 -0.86 0.00 0.00 0.00 173.10 175.09 2eei s GLN 8 N 0.51 2.37 0.65 2.90 0.00 -1.26 -5.03 119.66 119.80 2eei s GLN 8 Ca 0.32 1.66 -0.11 0.00 -0.00 0.00 0.00 55.36 57.23 2eei s GLN 8 Cb -0.07 -1.87 0.16 0.00 0.00 0.00 0.00 33.01 31.23 2eei s GLN 8 CO -0.06 -1.63 0.57 -0.35 0.00 0.00 0.00 175.29 173.82 2eei n PRO 9 N -2.57 -2.15 -4.43 9.60 -0.04 -1.26 -5.05 135.00 129.11 2eei n PRO 9 Ca 0.13 -0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 62.33 2eei n PRO 9 Cb 0.51 -0.86 -0.15 0.00 -0.04 0.00 0.00 33.50 32.96 2eei n PRO 9 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2eei s ARG 10 N -4.30 3.30 -0.38 0.54 6.06 -1.19 -5.07 118.95 117.91 2eei s ARG 10 Ca 0.37 -0.70 -0.26 0.00 -2.50 0.00 0.00 55.73 52.64 2eei s ARG 10 Cb -0.04 -2.72 0.02 0.00 0.06 0.00 0.00 34.95 32.27 2eei s ARG 10 CO 0.29 0.02 0.93 -1.17 -2.50 0.00 0.00 175.30 172.86 2eei s LEU 11 N 0.85 3.99 -0.53 -0.88 1.98 -1.26 -3.57 118.68 119.26 2eei s LEU 11 Ca -0.04 0.52 -0.15 0.00 -2.89 0.00 0.00 54.13 51.57 2eei s LEU 11 Cb -0.15 -3.25 0.13 0.00 0.66 0.00 0.00 46.19 43.57 2eei s LEU 11 CO 0.00 -0.88 0.48 0.00 -1.89 0.00 0.00 176.35 174.06 2eei s TYR 13 N 1.58 2.74 0.00 0.00 5.04 -1.26 -0.19 117.35 125.26 2eei s TYR 13 Ca 0.03 -0.22 -0.19 0.00 -2.44 0.00 0.00 57.07 54.25 2eei s TYR 13 Cb -0.29 -4.14 -0.06 0.00 0.35 0.00 0.00 41.96 37.82 2eei s TYR 13 CO 0.03 -1.47 0.55 -0.51 -1.34 0.00 0.00 175.55 172.82 2eei s LEU 14 N 3.99 4.43 -0.05 6.97 2.01 -0.90 -4.77 118.68 130.37 2eei s LEU 14 Ca 0.27 1.12 0.03 0.00 0.01 0.00 0.00 54.13 55.56 2eei s LEU 14 Cb -0.14 -2.85 0.01 0.00 0.01 0.00 0.00 46.19 43.22 2eei s LEU 14 CO 0.16 0.16 -0.12 -0.69 1.01 0.00 0.00 176.35 176.86 2eei s VAL 15 N -0.41 1.08 -0.70 -1.59 1.01 -1.26 -1.16 120.40 117.38 2eei s VAL 15 Ca 0.29 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 2eei s VAL 15 Cb -0.18 -0.98 -0.12 0.00 0.00 0.00 0.00 36.38 35.10 2eei s VAL 15 CO 0.16 0.34 2.42 0.29 0.00 0.00 0.00 175.10 178.31 2eei n LYS 16 N 3.60 0.69 -0.10 2.72 5.02 -1.14 -4.65 118.16 124.30 2eei n LYS 16 Ca -0.21 -0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 55.39 2eei n LYS 16 Cb 0.52 -3.52 -0.11 0.00 -0.02 0.00 0.00 35.03 31.90 2eei n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2eei n GLU 17 N 8.78 0.72 -4.43 1.97 4.07 -1.26 -5.05 120.64 125.44 2eei n GLU 17 Ca 0.45 0.09 -0.22 0.00 -0.06 0.00 0.00 57.16 57.42 2eei n GLU 17 Cb 0.45 -1.44 -0.09 0.00 -0.06 0.00 0.00 31.44 30.30 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2eei s GLY 18 N -5.87 2.30 0.21 8.31 0.00 -1.26 -5.03 107.32 105.98 2eei s GLY 18 Ca -0.24 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 42.85 2eei s GLY 18 CO 0.56 -1.74 1.13 0.61 0.00 0.00 0.00 173.10 173.67 2eei n GLY 19 N -0.74 -1.15 3.17 0.20 0.00 -1.26 -4.19 105.19 101.22 2eei n GLY 19 Ca -0.03 0.76 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 2eei n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eei s SER 20 N -5.13 2.25 0.08 1.61 1.04 -1.26 -5.06 113.70 107.23 2eei s SER 20 Ca -0.10 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 55.80 2eei s SER 20 Cb 0.20 -0.48 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2eei s SER 20 CO 0.57 0.19 1.28 1.88 0.98 0.00 0.00 173.24 178.14 2eei h TYR 21 N 6.02 -0.95 0.00 5.02 0.05 -1.92 -3.46 116.97 121.72 2eei h TYR 21 Ca -0.35 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2eei h TYR 21 Cb 1.16 0.47 0.00 0.00 1.01 0.00 0.00 36.73 39.37 2eei h TYR 21 CO 0.42 -0.22 0.00 0.41 -1.05 0.00 0.00 178.16 177.72 2eei n GLY 22 N -1.16 0.26 3.28 3.88 0.00 -1.26 -3.16 105.19 107.03 2eei n GLY 22 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2eei n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eei s PHE 23 N -0.27 -0.23 0.04 1.61 -0.12 -1.26 -0.86 117.98 116.89 2eei s PHE 23 Ca 0.00 0.31 0.08 0.00 -0.05 0.00 0.00 56.93 57.27 2eei s PHE 23 Cb 0.00 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 2eei s PHE 23 CO 0.00 -0.45 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.38 2eei s SER 24 N -1.48 2.74 -0.01 1.98 0.01 -0.14 -4.99 113.70 111.80 2eei s SER 24 Ca -0.11 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.66 2eei s SER 24 Cb -0.04 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 2eei s SER 24 CO 0.03 0.20 -0.16 -0.76 0.41 0.00 0.00 173.24 172.97 2eei s LEU 25 N -1.17 2.69 0.02 2.44 1.43 -1.26 -2.30 118.68 120.53 2eei s LEU 25 Ca 0.09 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2eei s LEU 25 Cb -0.09 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.57 2eei s LEU 25 CO 0.02 0.30 0.18 -1.59 0.23 0.00 0.00 176.35 175.50 2eei s LYS 26 N -1.06 0.60 -0.00 1.70 -2.85 -1.25 -5.01 119.74 111.86 2eei s LYS 26 Ca 0.13 -0.48 -0.00 0.00 -1.00 0.00 0.00 55.97 54.62 2eei s LYS 26 Cb -0.11 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.88 2eei s LYS 26 CO 0.03 -0.16 0.08 0.95 0.10 0.00 0.00 175.35 176.35 2eei s THR 27 N -1.89 4.73 -0.06 3.79 -4.23 -1.26 -4.05 115.64 112.67 2eei s THR 27 Ca -0.10 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 2eei s THR 27 Cb -0.04 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2eei s THR 27 CO -0.00 0.34 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.57 2eei s VAL 28 N -1.20 1.33 -0.38 2.29 1.01 -1.26 -5.08 120.40 117.10 2eei s VAL 28 Ca 0.23 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 2eei s VAL 28 Cb -0.12 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2eei s VAL 28 CO 0.14 0.39 2.03 -1.58 0.00 0.00 0.00 175.10 176.09 2eei s GLN 29 N 0.37 2.92 0.00 2.72 2.00 -1.26 -2.63 119.66 123.77 2eei s GLN 29 Ca -0.10 1.43 0.00 0.00 -2.00 0.00 0.00 55.36 54.69 2eei s GLN 29 Cb -0.14 -4.35 0.00 0.00 0.80 0.00 0.00 33.01 29.32 2eei s GLN 29 CO 0.04 -2.35 0.00 0.41 -0.50 0.00 0.00 175.29 172.88 2eei n GLY 30 N 5.67 3.83 3.81 2.59 0.00 -1.26 -5.11 105.19 114.72 2eei n GLY 30 Ca 0.27 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 2eei n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s LYS 31 N 0.00 -0.24 0.20 1.61 1.02 -1.08 -5.08 119.74 116.17 2eei s LYS 31 Ca 0.00 -0.37 0.08 0.00 0.02 0.00 0.00 55.97 55.70 2eei s LYS 31 Cb 0.00 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2eei s LYS 31 CO 0.00 -3.01 -0.03 0.15 -0.92 0.00 0.00 175.35 171.55 2eei s LYS 32 N -5.78 2.27 1.36 1.68 -0.14 -1.26 -4.89 119.74 112.99 2eei s LYS 32 Ca 0.74 -1.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 2eei s LYS 32 Cb -0.05 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 2eei s LYS 32 CO 0.54 0.42 0.00 0.41 -0.76 0.00 0.00 175.35 175.97 2eei n GLY 33 N -0.30 1.36 3.37 -3.33 0.00 -0.59 -4.81 105.19 100.89 2eei n GLY 33 Ca -0.09 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 2eei n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2eei s VAL 34 N 0.00 0.67 -0.08 1.61 -7.23 -1.26 -4.74 120.40 109.38 2eei s VAL 34 Ca 0.00 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 2eei s VAL 34 Cb 0.00 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.37 2eei s VAL 34 CO 0.00 0.00 0.58 -0.72 -0.31 0.00 0.00 175.10 174.65 2eei s TYR 35 N -3.57 -0.55 0.27 2.82 -0.85 -1.26 -2.69 117.35 111.51 2eei s TYR 35 Ca 0.36 1.04 -0.30 0.00 -0.52 0.00 0.00 57.07 57.65 2eei s TYR 35 Cb 0.07 0.30 -0.11 0.00 0.38 0.00 0.00 41.96 42.60 2eei s TYR 35 CO 0.15 -0.50 1.57 -1.64 -1.52 0.00 0.00 175.55 173.61 2eei s MET 36 N -0.91 4.16 0.00 -3.49 -1.94 -1.12 -3.93 119.30 112.08 2eei s MET 36 Ca -0.09 2.51 0.00 0.00 -1.71 0.00 0.00 55.69 56.40 2eei s MET 36 Cb -0.02 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.77 2eei s MET 36 CO 0.07 -0.60 0.00 -2.37 -0.01 0.00 0.00 175.02 172.11 2eei n THR 37 N 2.47 0.00 -4.00 2.05 5.66 -0.97 0.21 114.28 119.71 2eei n THR 37 Ca 0.09 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.75 2eei n THR 37 Cb 0.38 -0.50 -0.15 0.00 -1.55 0.00 0.00 70.33 68.51 2eei n THR 37 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2eei s ASP 38 N -3.96 4.09 -0.43 1.09 -1.08 -1.25 -4.17 116.67 110.96 2eei s ASP 38 Ca 0.00 -0.82 -0.05 0.00 -0.52 0.00 0.00 52.55 51.16 2eei s ASP 38 Cb 0.00 -1.63 0.11 0.00 -1.46 0.00 0.00 42.92 39.95 2eei s ASP 38 CO 0.00 -0.10 0.24 -0.63 0.52 0.00 0.00 175.17 175.21 2eei s ILE 39 N 1.32 3.54 -0.10 4.11 -1.09 -1.26 -0.97 121.20 126.75 2eei s ILE 39 Ca 0.01 -1.98 -0.40 0.00 -2.23 0.00 0.00 60.65 56.05 2eei s ILE 39 Cb -0.16 -3.40 -0.18 0.00 -1.58 0.00 0.00 42.46 37.15 2eei s ILE 39 CO -0.06 -0.71 1.41 0.41 -1.23 0.00 0.00 174.94 174.75 2eei n THR 40 N 4.68 0.07 -2.24 2.92 -1.04 -0.04 -4.84 114.28 113.79 2eei n THR 40 Ca -0.04 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 2eei n THR 40 Cb 0.41 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 2eei n THR 40 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2eei s PRO 41 N 1.42 4.42 -1.21 -2.82 0.04 -1.26 -3.47 135.00 132.11 2eei s PRO 41 Ca 0.92 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 64.00 2eei s PRO 41 Cb -1.13 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.24 2eei s PRO 41 CO 0.58 -0.18 0.92 0.94 0.04 0.00 0.00 177.00 179.30 2eei n GLN 42 N 2.08 -5.74 -0.19 4.56 7.27 -1.26 -5.00 117.38 119.10 2eei n GLN 42 Ca 0.04 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.90 2eei n GLN 42 Cb 0.43 -5.67 0.00 0.00 2.41 0.00 0.00 30.24 27.41 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2eei n GLY 43 N -1.25 6.01 0.24 1.69 0.00 -1.23 -5.01 105.19 105.64 2eei n GLY 43 Ca -0.27 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 2eei n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2eei h VAL 44 N 0.09 1.27 0.38 1.61 2.07 -1.85 -2.31 116.25 117.52 2eei h VAL 44 Ca 0.00 -1.16 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 2eei h VAL 44 Cb 0.00 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2eei h VAL 44 CO 0.00 0.39 -0.18 0.00 0.02 0.00 0.00 177.57 177.80 2eei h ALA 45 N 0.87 -0.73 -0.22 1.67 0.00 -1.78 -0.15 119.26 118.91 2eei h ALA 45 Ca 0.11 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2eei h ALA 45 Cb 0.59 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2eei h ALA 45 CO 0.04 -0.70 0.58 1.98 0.00 0.00 0.00 179.25 181.15 2eei h MET 46 N -0.76 0.00 0.05 0.00 -1.53 -1.71 0.64 114.93 111.63 2eei h MET 46 Ca -0.05 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 55.90 2eei h MET 46 Cb 0.39 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.41 2eei h MET 46 CO 0.09 0.00 -1.68 0.00 0.14 0.00 0.00 176.91 175.46 2eei h ARG 47 N 0.00 0.11 0.00 0.39 2.47 -1.30 -3.33 114.38 112.72 2eei h ARG 47 Ca 0.11 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 2eei h ARG 47 Cb 1.26 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2eei h ARG 47 CO -0.00 0.83 -0.12 0.00 0.56 0.00 0.00 179.97 181.24 2eei h ALA 48 N 0.68 1.04 0.00 0.04 0.00 0.22 -3.46 119.26 117.78 2eei h ALA 48 Ca -0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2eei h ALA 48 Cb 2.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2eei h ALA 48 CO 0.10 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2eei n GLY 49 N -0.03 1.88 3.69 0.00 0.00 -0.72 -4.57 105.19 105.43 2eei n GLY 49 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2eei n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eei s VAL 50 N -2.00 4.45 0.43 1.61 0.11 -1.16 -4.92 120.40 118.92 2eei s VAL 50 Ca 0.00 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.93 2eei s VAL 50 Cb 0.00 -2.89 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 2eei s VAL 50 CO 0.00 0.59 0.20 -1.48 -3.33 0.00 0.00 175.10 171.08 2eei s LEU 51 N -0.72 3.07 0.81 2.54 2.34 -1.26 -4.32 118.68 121.14 2eei s LEU 51 Ca 0.11 -1.10 -0.12 0.00 0.06 0.00 0.00 54.13 53.09 2eei s LEU 51 Cb -0.12 -1.42 0.08 0.00 -0.56 0.00 0.00 46.19 44.17 2eei s LEU 51 CO 0.02 -0.60 1.10 0.00 -1.06 0.00 0.00 176.35 175.82 2eei s ALA 52 N -2.62 2.22 -1.33 1.48 0.00 -1.26 -4.09 121.76 116.16 2eei s ALA 52 Ca 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2eei s ALA 52 Cb 0.03 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 2eei s ALA 52 CO 0.22 -1.78 0.61 -0.25 0.00 0.00 0.00 175.76 174.56 2eei n ASP 53 N -3.46 -1.12 -4.15 0.00 8.00 0.58 -4.83 116.55 111.57 2eei n ASP 53 Ca 0.07 -0.89 -0.35 0.00 0.71 0.00 0.00 54.79 54.33 2eei n ASP 53 Cb 0.57 -3.70 -0.13 0.00 -0.02 0.00 0.00 41.12 37.84 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2eei s ASP 54 N -4.32 4.99 -0.71 -2.24 1.11 -0.82 -4.48 116.67 110.20 2eei s ASP 54 Ca 0.03 -1.52 -0.29 0.00 0.18 0.00 0.00 52.55 50.95 2eei s ASP 54 Cb -0.01 -1.74 -0.14 0.00 1.07 0.00 0.00 42.92 42.10 2eei s ASP 54 CO 0.84 -0.34 2.53 1.57 1.18 0.00 0.00 175.17 180.95 2eei n HIS 55 N 4.59 1.05 -1.67 4.23 -0.00 -1.26 -2.78 115.22 119.38 2eei n HIS 55 Ca -0.09 0.24 -0.45 0.00 0.46 0.00 0.00 57.72 57.88 2eei n HIS 55 Cb 0.43 -2.52 -0.04 0.00 -0.12 0.00 0.00 29.99 27.74 2eei n HIS 55 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2eei n LEU 56 N 13.24 3.18 -0.12 0.27 7.94 -1.10 -4.01 117.00 136.40 2eei n LEU 56 Ca 0.50 1.09 -0.25 0.00 -1.11 0.00 0.00 56.01 56.24 2eei n LEU 56 Cb 0.30 -1.44 -0.10 0.00 0.53 0.00 0.00 43.42 42.72 2eei n LEU 56 CO 0.82 -0.28 -1.08 -0.38 -1.11 0.00 0.00 177.39 175.36 2eei n ILE 57 N 3.21 1.52 -3.88 1.96 2.08 0.93 -4.25 119.36 120.94 2eei n ILE 57 Ca 0.16 -0.22 -0.08 0.00 0.56 0.00 0.00 62.75 63.17 2eei n ILE 57 Cb 0.30 -1.99 -0.03 0.00 -0.75 0.00 0.00 39.64 37.17 2eei n ILE 57 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2eei s GLU 58 N -2.49 1.67 -0.18 0.38 -1.05 -1.21 -1.37 118.70 114.45 2eei s GLU 58 Ca -0.34 -1.05 -0.04 0.00 -0.15 0.00 0.00 54.97 53.39 2eei s GLU 58 Cb 0.11 0.56 0.06 0.00 -0.44 0.00 0.00 34.13 34.42 2eei s GLU 58 CO 0.50 -0.74 0.07 0.08 0.95 0.00 0.00 175.26 176.12 2eei s VAL 59 N -3.94 0.16 -0.77 1.83 1.01 -0.67 -2.80 120.40 115.21 2eei s VAL 59 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2eei s VAL 59 Cb -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.58 2eei s VAL 59 CO 0.06 -0.25 0.00 -3.20 0.00 0.00 0.00 175.10 171.71 2eei n ASN 60 N 5.19 -3.14 -0.55 3.32 2.85 0.67 -3.45 115.26 120.14 2eei n ASN 60 Ca -0.08 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 2eei n ASN 60 Cb 0.48 -2.41 0.00 0.00 1.24 0.00 0.00 39.78 39.09 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eei n GLY 61 N -1.03 0.86 2.78 8.20 0.00 -1.26 -4.92 105.19 109.83 2eei n GLY 61 Ca -0.11 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 2eei n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eei s GLU 62 N -4.42 0.08 -0.26 1.61 2.12 -1.22 -5.10 118.70 111.51 2eei s GLU 62 Ca 0.00 0.37 -0.29 0.00 0.36 0.00 0.00 54.97 55.41 2eei s GLU 62 Cb 0.00 -0.77 -0.06 0.00 0.26 0.00 0.00 34.13 33.56 2eei s GLU 62 CO 0.00 -0.46 2.24 0.09 -0.54 0.00 0.00 175.26 176.59 2eei n ASN 63 N 5.32 3.05 -0.20 -1.70 4.13 -1.26 -1.67 115.26 122.92 2eei n ASN 63 Ca -0.05 0.17 0.10 0.00 1.68 0.00 0.00 54.58 56.47 2eei n ASN 63 Cb 0.50 -1.52 0.16 0.00 -1.54 0.00 0.00 39.78 37.37 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2eei n VAL 64 N 7.72 1.93 -0.35 2.41 0.24 -0.47 -4.75 118.33 125.07 2eei n VAL 64 Ca 0.32 -2.17 0.15 0.00 -2.04 0.00 0.00 64.34 60.60 2eei n VAL 64 Cb 0.43 -0.22 0.35 0.00 -1.47 0.00 0.00 33.84 32.93 2eei n VAL 64 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2eei h GLU 65 N 0.30 0.65 -0.84 7.34 5.08 -1.67 -1.64 114.58 123.80 2eei h GLU 65 Ca 0.00 -0.04 -0.52 0.00 -1.00 0.00 0.00 59.36 57.80 2eei h GLU 65 Cb 1.06 -0.15 -0.43 0.00 0.50 0.00 0.00 28.75 29.74 2eei h GLU 65 CO 0.04 0.43 -0.84 -0.40 -1.00 0.00 0.00 179.01 177.24 2eei n ASP 66 N -4.83 4.52 -4.72 1.42 5.68 -1.26 -1.54 116.55 115.82 2eei n ASP 66 Ca 0.25 -3.57 -0.35 0.00 -0.50 0.00 0.00 54.79 50.62 2eei n ASP 66 Cb 0.66 -0.37 -0.09 0.00 -1.14 0.00 0.00 41.12 40.18 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2eei s ALA 67 N -3.60 3.48 0.47 2.12 0.00 -0.62 -4.67 121.76 118.94 2eei s ALA 67 Ca 0.48 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 2eei s ALA 67 Cb 0.40 -1.75 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 2eei s ALA 67 CO -0.00 0.46 1.39 -1.12 0.00 0.00 0.00 175.76 176.48 2eei s SER 68 N -0.50 5.79 0.34 0.00 0.01 -1.26 -4.27 113.70 113.80 2eei s SER 68 Ca 0.10 2.83 0.13 0.00 1.31 0.00 0.00 55.95 60.32 2eei s SER 68 Cb -0.12 -2.65 1.05 0.00 0.21 0.00 0.00 66.02 64.51 2eei s SER 68 CO 0.02 -1.23 1.65 -0.74 0.41 0.00 0.00 173.24 173.36 2eei h HIS 69 N 2.14 0.82 -0.31 2.43 2.76 -1.98 1.07 115.15 122.08 2eei h HIS 69 Ca -0.51 0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 57.64 2eei h HIS 69 Cb 1.27 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 2eei h HIS 69 CO 0.49 -0.21 -0.08 0.93 -1.30 0.00 0.00 177.93 177.77 2eei h GLU 70 N 0.28 0.51 -0.36 5.26 4.39 -1.99 0.98 114.58 123.67 2eei h GLU 70 Ca 0.71 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 60.20 2eei h GLU 70 Cb 1.62 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 2eei h GLU 70 CO -0.63 0.60 -0.10 0.93 -1.16 0.00 0.00 179.01 178.65 2eei h GLU 71 N 0.48 0.70 0.25 2.33 4.39 0.83 -2.87 114.58 120.68 2eei h GLU 71 Ca 0.09 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2eei h GLU 71 Cb 0.43 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2eei h GLU 71 CO 0.02 0.86 -0.12 0.28 -1.16 0.00 0.00 179.01 178.89 2eei h VAL 72 N 0.49 0.00 -1.12 3.13 2.07 -1.10 -2.65 116.25 117.06 2eei h VAL 72 Ca 0.09 -0.58 0.43 0.00 0.82 0.00 0.00 66.70 67.45 2eei h VAL 72 Cb 0.61 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.23 2eei h VAL 72 CO 0.04 0.00 0.67 0.55 0.02 0.00 0.00 177.57 178.85 2eei n VAL 73 N -4.52 -0.32 -0.02 2.57 3.14 0.32 0.15 118.33 119.65 2eei n VAL 73 Ca -0.04 1.82 -0.17 0.00 -2.96 0.00 0.00 64.34 63.00 2eei n VAL 73 Cb 0.13 -2.97 -0.09 0.00 -1.06 0.00 0.00 33.84 29.85 2eei n VAL 73 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2eei h GLU 74 N 0.00 0.53 0.00 1.45 5.08 -1.57 -2.96 114.58 117.12 2eei h GLU 74 Ca 0.82 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2eei h GLU 74 Cb 2.41 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.76 2eei h GLU 74 CO -0.59 1.09 -0.02 0.87 -1.00 0.00 0.00 179.01 179.36 2eei h LYS 75 N 0.13 0.00 0.07 2.33 1.57 0.18 -0.13 116.57 120.72 2eei h LYS 75 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2eei h LYS 75 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2eei h LYS 75 CO 0.12 0.02 -0.03 0.28 -0.57 0.00 0.00 179.45 179.26 2eei h VAL 76 N 0.00 0.40 -0.07 0.50 2.07 -1.01 -2.22 116.25 115.92 2eei h VAL 76 Ca -0.00 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2eei h VAL 76 Cb 0.09 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2eei h VAL 76 CO 0.00 0.13 -0.06 0.07 0.02 0.00 0.00 177.57 177.73 2eei h LYS 77 N -1.00 0.09 -0.11 1.57 2.10 -1.35 -2.60 116.57 115.26 2eei h LYS 77 Ca -0.01 -0.01 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 2eei h LYS 77 Cb 0.28 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.60 2eei h LYS 77 CO 0.02 0.17 -0.49 0.87 -2.00 0.00 0.00 179.45 178.01 2eei h LYS 78 N 0.09 0.53 -0.70 0.07 1.57 -1.13 -3.26 116.57 113.75 2eei h LYS 78 Ca 0.02 -0.42 0.24 0.00 -1.87 0.00 0.00 60.65 58.62 2eei h LYS 78 Cb 0.18 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.44 2eei h LYS 78 CO 0.01 1.05 0.17 0.45 -0.57 0.00 0.00 179.45 180.55 2eei n SER 79 N -4.23 0.05 0.00 0.86 2.88 -0.83 -4.86 113.62 107.49 2eei n SER 79 Ca -0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2eei n SER 79 Cb 0.59 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 80 N -1.28 1.15 0.40 0.46 0.00 -1.23 -4.81 105.19 99.87 2eei n GLY 80 Ca 0.21 -0.55 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 2eei n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eei n SER 81 N 0.00 2.19 -4.72 1.61 7.64 -1.26 -4.95 113.62 114.13 2eei n SER 81 Ca 0.00 0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 2eei n SER 81 Cb 0.00 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.05 2eei n SER 81 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2eei s ARG 82 N -2.08 2.59 0.20 1.43 0.52 -1.26 -2.87 118.95 117.49 2eei s ARG 82 Ca -0.05 -1.06 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 2eei s ARG 82 Cb 0.02 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 2eei s ARG 82 CO 0.08 0.45 0.16 0.14 0.02 0.00 0.00 175.30 176.15 2eei s VAL 83 N -1.82 0.00 -0.26 3.52 -7.23 -0.31 -4.89 120.40 109.42 2eei s VAL 83 Ca 0.29 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2eei s VAL 83 Cb -0.09 -2.48 0.08 0.00 0.56 0.00 0.00 36.38 34.45 2eei s VAL 83 CO 0.21 0.00 0.04 -0.32 -0.31 0.00 0.00 175.10 174.72 2eei s MET 84 N -4.14 0.94 -0.21 4.82 1.75 -1.26 -2.11 119.30 119.09 2eei s MET 84 Ca 0.38 -0.88 -0.11 0.00 -1.25 0.00 0.00 55.69 53.83 2eei s MET 84 Cb 0.06 -2.22 -0.05 0.00 2.84 0.00 0.00 34.83 35.46 2eei s MET 84 CO 0.12 -0.79 0.16 -0.06 -0.65 0.00 0.00 175.02 173.80 2eei s PHE 85 N 1.61 3.39 -0.22 4.11 0.08 0.73 -0.24 117.98 127.45 2eei s PHE 85 Ca 0.03 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.43 2eei s PHE 85 Cb -0.18 -2.22 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2eei s PHE 85 CO -0.15 0.21 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.87 2eei s LEU 86 N 0.59 2.72 0.34 -0.37 2.96 -1.12 0.50 118.68 124.29 2eei s LEU 86 Ca 0.09 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.03 2eei s LEU 86 Cb -0.12 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2eei s LEU 86 CO 0.01 -0.11 0.15 -0.76 -1.32 0.00 0.00 176.35 174.32 2eei s LEU 87 N 1.23 1.81 0.07 -0.68 1.02 -1.23 -0.05 118.68 120.85 2eei s LEU 87 Ca -0.02 -1.60 0.09 0.00 0.02 0.00 0.00 54.13 52.62 2eei s LEU 87 Cb -0.17 0.10 -0.03 0.00 0.02 0.00 0.00 46.19 46.11 2eei s LEU 87 CO -0.09 -0.90 -0.22 -0.69 0.02 0.00 0.00 176.35 174.47 2eei s VAL 88 N -3.45 2.49 0.10 -1.59 1.01 -1.26 -3.19 120.40 114.52 2eei s VAL 88 Ca 0.32 -1.39 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 2eei s VAL 88 Cb 0.04 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 2eei s VAL 88 CO 0.17 0.27 1.70 -1.81 0.00 0.00 0.00 175.10 175.44 2eei s ASP 89 N -1.57 6.54 0.31 3.32 1.11 -1.26 -4.38 116.67 120.73 2eei s ASP 89 Ca 0.14 2.60 0.05 0.00 0.18 0.00 0.00 52.55 55.52 2eei s ASP 89 Cb -0.10 -2.57 0.83 0.00 1.07 0.00 0.00 42.92 42.15 2eei s ASP 89 CO 0.05 -0.92 1.60 0.07 1.18 0.00 0.00 175.17 177.15 2eei h LYS 90 N 8.20 0.08 -0.14 8.23 2.10 -1.88 0.40 116.57 133.56 2eei h LYS 90 Ca -0.44 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 2eei h LYS 90 Cb 1.21 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2eei h LYS 90 CO 0.93 0.05 0.06 0.93 -2.00 0.00 0.00 179.45 179.43 2eei h GLU 91 N 0.08 0.21 -0.25 0.07 5.08 -1.89 0.17 114.58 118.05 2eei h GLU 91 Ca 0.62 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.98 2eei h GLU 91 Cb 1.35 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 2eei h GLU 91 CO -0.79 0.28 0.05 1.15 -1.00 0.00 0.00 179.01 178.69 2eei h THR 92 N 0.09 0.88 0.04 1.13 2.02 -0.67 -2.94 112.91 113.46 2eei h THR 92 Ca 0.05 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2eei h THR 92 Cb 0.14 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2eei h THR 92 CO -0.01 0.03 -0.02 -0.78 0.37 0.00 0.00 175.52 175.11 2eei h ASP 93 N 0.14 -0.05 -1.91 4.18 3.58 -0.91 -3.34 116.42 118.12 2eei h ASP 93 Ca 0.12 -0.25 -0.73 0.00 0.42 0.00 0.00 57.03 56.59 2eei h ASP 93 Cb 0.12 0.01 -0.16 0.00 1.72 0.00 0.00 39.33 41.02 2eei h ASP 93 CO -0.16 0.23 1.54 1.17 -2.88 0.00 0.00 179.24 179.14 2eei n LYS 94 N -4.99 3.35 -3.35 0.28 4.81 0.59 -4.94 118.16 113.92 2eei n LYS 94 Ca -0.08 -3.74 -0.45 0.00 -0.87 0.00 0.00 58.31 53.17 2eei n LYS 94 Cb 0.16 -3.10 -0.05 0.00 0.02 0.00 0.00 35.03 32.06 2eei n LYS 94 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2eei s ARG 95 N 1.90 3.07 -0.23 1.64 6.06 -1.23 -4.71 118.95 125.46 2eei s ARG 95 Ca 0.44 -1.91 -0.23 0.00 -2.50 0.00 0.00 55.73 51.53 2eei s ARG 95 Cb -0.01 -4.28 0.06 0.00 0.06 0.00 0.00 34.95 30.79 2eei s ARG 95 CO 0.01 -1.30 0.64 -1.01 -2.50 0.00 0.00 175.30 171.14 2eei s HIS 96 N 1.20 -0.70 -0.36 5.12 3.76 -1.26 -5.11 115.29 117.93 2eei s HIS 96 Ca 0.07 1.67 -0.28 0.00 -0.15 0.00 0.00 55.06 56.37 2eei s HIS 96 Cb -0.25 0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.66 2eei s HIS 96 CO -0.00 -0.35 1.94 0.08 -0.85 0.00 0.00 174.74 175.55 2eei s VAL 97 N 0.24 3.33 -0.13 -0.90 1.01 -1.26 -4.94 120.40 117.74 2eei s VAL 97 Ca -0.01 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 2eei s VAL 97 Cb -0.04 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2eei s VAL 97 CO 0.01 -0.37 0.34 -0.70 0.00 0.00 0.00 175.10 174.38 2eei s GLU 98 N 6.22 0.35 -0.29 2.72 2.56 -1.26 -5.16 118.70 123.85 2eei s GLU 98 Ca 0.83 0.56 -0.25 0.00 0.00 0.00 0.00 54.97 56.12 2eei s GLU 98 Cb -0.22 0.07 0.15 0.00 2.00 0.00 0.00 34.13 36.12 2eei s GLU 98 CO 0.31 -0.10 1.17 1.14 -0.56 0.00 0.00 175.26 177.22 2eei s GLN 99 N 0.71 0.35 0.70 4.30 -2.07 -1.26 -5.17 119.66 117.23 2eei s GLN 99 Ca -0.04 0.43 -0.14 0.00 -1.82 0.00 0.00 55.36 53.79 2eei s GLN 99 Cb -0.06 0.17 0.02 0.00 -1.09 0.00 0.00 33.01 32.06 2eei s GLN 99 CO -0.05 -0.04 1.11 -1.59 -1.32 0.00 0.00 175.29 173.40 2eei s LYS 100 N 0.20 2.57 -0.02 9.60 -2.85 -1.26 -5.05 119.74 122.93 2eei s LYS 100 Ca 0.04 1.35 0.07 0.00 -1.00 0.00 0.00 55.97 56.43 2eei s LYS 100 Cb -0.05 -1.92 -0.02 0.00 -2.06 0.00 0.00 37.83 33.77 2eei s LYS 100 CO -0.10 -1.43 -0.21 -1.54 0.10 0.00 0.00 175.35 172.17 2eei s SER 101 N -2.78 3.47 -0.03 0.03 1.04 -1.26 -5.13 113.70 109.05 2eei s SER 101 Ca 0.66 -0.39 -0.01 0.00 0.48 0.00 0.00 55.95 56.69 2eei s SER 101 Cb -0.20 -0.53 0.03 0.00 0.10 0.00 0.00 66.02 65.42 2eei s SER 101 CO 0.46 0.31 0.04 -0.83 0.98 0.00 0.00 173.24 174.21 2eei s GLY 102 N -0.82 0.12 0.95 7.32 0.00 -1.26 -5.15 107.32 108.48 2eei s GLY 102 Ca 0.11 0.30 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 2eei s GLY 102 CO 0.01 0.87 1.09 2.56 0.00 0.00 0.00 173.10 177.63 2eei s PRO 103 N 1.34 0.81 -0.13 2.90 0.04 -1.26 -5.02 135.00 133.69 2eei s PRO 103 Ca -0.06 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 2eei s PRO 103 Cb -0.13 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2eei s PRO 103 CO -0.03 -2.50 -0.13 -1.13 0.04 0.00 0.00 177.00 173.24 2eei n SER 104 N -4.04 2.28 -3.73 6.66 3.41 -1.26 -4.99 113.62 111.95 2eei n SER 104 Ca 0.06 0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.40 2eei n SER 104 Cb 0.56 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2eei n SER 104 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2eei n SER 105 N -3.12 -0.69 0.00 4.04 2.88 -1.26 -5.39 113.62 110.07 2eei n SER 105 Ca -0.23 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 2eei n SER 105 Cb 0.71 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2eei n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42