#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 6.77 -1.02 1.61 1.04 -1.26 -4.95 113.70 115.88 2eei s SER 2 Ca 0.00 1.35 -0.21 0.00 0.48 0.00 0.00 55.95 57.57 2eei s SER 2 Cb 0.00 -2.54 0.08 0.00 0.10 0.00 0.00 66.02 63.66 2eei s SER 2 CO 0.00 -0.97 1.37 -0.44 0.98 0.00 0.00 173.24 174.17 2eei s SER 3 N 2.50 6.59 0.00 7.02 0.01 -1.26 -4.53 113.70 124.02 2eei s SER 3 Ca 0.55 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2eei s SER 3 Cb -0.18 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2eei s SER 3 CO 0.20 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.14 2eei n GLY 4 N 6.24 -1.28 3.65 3.44 0.00 -1.26 -5.15 105.19 110.82 2eei n GLY 4 Ca 0.31 0.46 -0.30 0.00 0.00 0.00 0.00 46.02 46.49 2eei n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eei s SER 5 N 1.87 1.12 -0.29 1.61 1.04 -1.26 -5.02 113.70 112.77 2eei s SER 5 Ca 0.00 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.85 2eei s SER 5 Cb 0.00 -0.66 -0.00 0.00 0.10 0.00 0.00 66.02 65.46 2eei s SER 5 CO 0.00 -3.98 0.11 -0.55 0.98 0.00 0.00 173.24 169.79 2eei s SER 6 N -4.12 5.28 0.00 7.02 0.15 -1.26 -4.88 113.70 115.88 2eei s SER 6 Ca 0.72 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2eei s SER 6 Cb -0.08 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2eei s SER 6 CO 0.55 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2eei n GLY 7 N 4.92 0.00 3.85 9.45 0.00 -1.26 -5.10 105.19 117.05 2eei n GLY 7 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2eei n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eei s GLN 8 N -1.58 3.84 1.20 1.61 -0.21 -1.26 -5.07 119.66 118.19 2eei s GLN 8 Ca 0.00 0.82 -0.19 0.00 0.02 0.00 0.00 55.36 56.01 2eei s GLN 8 Cb 0.00 -2.17 0.29 0.00 1.00 0.00 0.00 33.01 32.13 2eei s GLN 8 CO 0.00 -0.30 1.11 -1.25 -2.12 0.00 0.00 175.29 172.73 2eei s PRO 9 N -4.30 -1.23 -0.14 2.91 0.04 -1.26 -5.05 135.00 125.96 2eei s PRO 9 Ca 0.57 -0.07 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 2eei s PRO 9 Cb -0.10 -1.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.82 2eei s PRO 9 CO 0.37 -3.72 -0.10 0.50 0.04 0.00 0.00 177.00 174.09 2eei s ARG 10 N -5.40 3.48 -0.59 4.56 3.52 -1.23 -5.06 118.95 118.23 2eei s ARG 10 Ca 0.71 -0.63 -0.27 0.00 -0.13 0.00 0.00 55.73 55.41 2eei s ARG 10 Cb -0.10 -2.73 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 2eei s ARG 10 CO 0.56 0.21 1.13 -1.17 -0.81 0.00 0.00 175.30 175.23 2eei s LEU 11 N 0.38 3.61 -0.64 -0.88 1.98 -1.26 -3.82 118.68 118.04 2eei s LEU 11 Ca -0.08 -0.07 -0.22 0.00 -2.89 0.00 0.00 54.13 50.87 2eei s LEU 11 Cb -0.15 -3.02 0.08 0.00 0.66 0.00 0.00 46.19 43.76 2eei s LEU 11 CO 0.05 -1.44 0.91 0.00 -1.89 0.00 0.00 176.35 173.97 2eei s TYR 13 N 3.76 2.46 0.09 0.00 5.04 -1.26 -1.19 117.35 126.25 2eei s TYR 13 Ca 0.20 -0.33 -0.25 0.00 -2.44 0.00 0.00 57.07 54.24 2eei s TYR 13 Cb -0.18 -4.52 -0.06 0.00 0.35 0.00 0.00 41.96 37.54 2eei s TYR 13 CO 0.09 -1.91 0.77 -0.51 -1.34 0.00 0.00 175.55 172.65 2eei s LEU 14 N 5.02 4.50 -0.23 6.97 2.01 -0.56 -4.83 118.68 131.56 2eei s LEU 14 Ca 0.32 1.52 -0.04 0.00 0.01 0.00 0.00 54.13 55.94 2eei s LEU 14 Cb -0.10 -3.25 0.09 0.00 0.01 0.00 0.00 46.19 42.93 2eei s LEU 14 CO 0.10 0.08 0.13 -0.69 1.01 0.00 0.00 176.35 176.99 2eei s VAL 15 N -0.44 -0.12 0.29 -1.59 1.01 -1.26 -0.21 120.40 118.08 2eei s VAL 15 Ca 0.38 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 2eei s VAL 15 Cb -0.21 -0.79 -0.15 0.00 0.00 0.00 0.00 36.38 35.22 2eei s VAL 15 CO 0.24 -0.48 0.51 2.29 0.00 0.00 0.00 175.10 177.66 2eei n LYS 16 N 5.27 0.31 0.00 2.72 2.85 0.23 -4.89 118.16 124.65 2eei n LYS 16 Ca -0.06 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2eei n LYS 16 Cb 0.46 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 2eei n LYS 16 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2eei n GLU 17 N 0.95 0.00 -4.00 -1.58 1.02 -1.26 -4.94 120.64 110.84 2eei n GLU 17 Ca 0.14 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.94 2eei n GLU 17 Cb 0.32 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.59 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2eei s GLY 18 N -2.77 1.55 0.00 0.62 0.00 -1.26 -4.87 107.32 100.60 2eei s GLY 18 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2eei s GLY 18 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 173.10 174.13 2eei n GLY 19 N 4.69 0.98 2.31 0.20 0.00 -1.26 -4.71 105.19 107.40 2eei n GLY 19 Ca -0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2eei n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eei n SER 20 N 2.20 -0.98 -3.03 1.61 3.41 -1.26 -5.13 113.62 110.44 2eei n SER 20 Ca 0.00 -2.27 -0.14 0.00 -0.26 0.00 0.00 58.87 56.21 2eei n SER 20 Cb 0.00 1.81 0.12 0.00 -0.26 0.00 0.00 64.21 65.88 2eei n SER 20 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2eei n TYR 21 N -0.39 -3.24 -2.13 7.33 4.02 -1.26 -4.10 117.16 117.39 2eei n TYR 21 Ca -0.00 -0.44 -0.27 0.00 -0.01 0.00 0.00 57.90 57.18 2eei n TYR 21 Cb 0.40 -0.54 0.02 0.00 -0.02 0.00 0.00 39.34 39.19 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2eei n GLY 22 N -1.44 6.18 3.39 2.72 0.00 -1.26 -4.85 105.19 109.93 2eei n GLY 22 Ca 0.07 -2.67 -0.11 0.00 0.00 0.00 0.00 46.02 43.31 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 -3.62 -0.39 0.05 1.61 -0.12 -1.26 -2.07 117.98 112.17 2eei s PHE 23 Ca 0.51 0.14 0.05 0.00 -0.05 0.00 0.00 56.93 57.57 2eei s PHE 23 Cb 0.42 0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 43.22 2eei s PHE 23 CO -0.07 -0.80 -0.13 -1.12 -0.05 0.00 0.00 175.22 173.05 2eei s SER 24 N -2.78 1.57 0.26 1.98 0.01 -0.70 -4.99 113.70 109.05 2eei s SER 24 Ca 0.02 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 56.87 2eei s SER 24 Cb 0.00 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2eei s SER 24 CO -0.12 -0.02 0.01 -0.76 0.41 0.00 0.00 173.24 172.76 2eei s LEU 25 N -1.33 3.24 0.05 2.44 1.43 -1.26 -2.42 118.68 120.83 2eei s LEU 25 Ca -0.01 -0.61 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 2eei s LEU 25 Cb -0.09 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2eei s LEU 25 CO 0.01 0.00 0.63 -1.59 0.23 0.00 0.00 176.35 175.64 2eei s LYS 26 N -3.65 1.15 -0.14 1.70 -2.85 -1.26 -4.98 119.74 109.71 2eei s LYS 26 Ca 0.31 -0.10 -0.02 0.00 -1.00 0.00 0.00 55.97 55.16 2eei s LYS 26 Cb -0.07 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 2eei s LYS 26 CO 0.20 -0.43 -0.08 0.95 0.10 0.00 0.00 175.35 176.08 2eei s THR 27 N -2.42 3.46 -0.12 3.79 -4.23 -1.26 -4.11 115.64 110.76 2eei s THR 27 Ca -0.05 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 59.89 2eei s THR 27 Cb -0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 2eei s THR 27 CO -0.01 0.51 0.07 -0.69 -0.54 0.00 0.00 174.62 173.96 2eei s VAL 28 N 0.36 4.94 0.11 2.29 1.01 -1.26 -5.05 120.40 122.79 2eei s VAL 28 Ca -0.08 -0.00 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 2eei s VAL 28 Cb -0.15 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 2eei s VAL 28 CO 0.04 0.59 1.85 0.00 0.00 0.00 0.00 175.10 177.58 2eei n GLN 29 N 2.29 2.78 0.00 2.72 10.64 -1.26 -2.41 117.38 132.14 2eei n GLN 29 Ca -0.19 1.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.99 2eei n GLN 29 Cb 0.54 -2.91 0.00 0.00 -0.86 0.00 0.00 30.24 27.01 2eei n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2eei n GLY 30 N 4.25 2.87 3.77 2.61 0.00 -1.26 -5.03 105.19 112.41 2eei n GLY 30 Ca 0.18 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 3.31 0.09 1.61 1.02 -1.01 -5.04 119.74 119.72 2eei s LYS 31 Ca 0.00 1.62 0.02 0.00 0.02 0.00 0.00 55.97 57.63 2eei s LYS 31 Cb 0.00 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2eei s LYS 31 CO 0.00 -0.89 0.17 0.15 -0.92 0.00 0.00 175.35 173.86 2eei s LYS 32 N -3.31 3.19 2.05 1.68 1.02 -1.26 -4.66 119.74 118.44 2eei s LYS 32 Ca 0.73 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.12 2eei s LYS 32 Cb -0.24 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 2eei s LYS 32 CO 0.28 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.68 2eei n GLY 33 N 0.14 -0.85 3.32 -3.33 0.00 -1.24 -4.61 105.19 98.62 2eei n GLY 33 Ca -0.07 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.02 1.61 -7.23 -1.26 -4.71 120.40 109.46 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 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.45 2eei s VAL 34 CO 0.00 -0.10 0.55 -0.72 -0.31 0.00 0.00 175.10 174.52 2eei s TYR 35 N -3.67 -0.49 0.23 2.82 -0.85 -1.26 -3.05 117.35 111.08 2eei s TYR 35 Ca 0.35 0.78 -0.31 0.00 -0.52 0.00 0.00 57.07 57.37 2eei s TYR 35 Cb 0.07 0.31 -0.11 0.00 0.38 0.00 0.00 41.96 42.62 2eei s TYR 35 CO 0.12 -0.56 1.58 -1.64 -1.52 0.00 0.00 175.55 173.53 2eei s MET 36 N -1.45 4.18 0.01 -3.49 -1.94 -1.08 -4.06 119.30 111.47 2eei s MET 36 Ca -0.11 2.46 0.00 0.00 -1.71 0.00 0.00 55.69 56.34 2eei s MET 36 Cb -0.02 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.73 2eei s MET 36 CO 0.06 -0.60 0.00 -2.37 -0.01 0.00 0.00 175.02 172.10 2eei n THR 37 N 3.10 0.08 -3.61 2.05 5.66 -1.02 0.11 114.28 120.65 2eei n THR 37 Ca 0.11 0.03 -0.40 0.00 -3.05 0.00 0.00 64.05 60.74 2eei n THR 37 Cb 0.38 -1.50 -0.11 0.00 -1.55 0.00 0.00 70.33 67.55 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 -5.07 5.69 -0.95 1.09 -1.08 -1.25 -4.24 116.67 110.86 2eei s ASP 38 Ca 0.00 -1.05 -0.09 0.00 -0.52 0.00 0.00 52.55 50.89 2eei s ASP 38 Cb 0.00 -2.01 0.24 0.00 -1.46 0.00 0.00 42.92 39.70 2eei s ASP 38 CO 0.00 -0.39 0.89 -0.63 0.52 0.00 0.00 175.17 175.56 2eei s ILE 39 N 1.53 5.40 0.10 4.11 -1.09 -1.26 -1.72 121.20 128.26 2eei s ILE 39 Ca 0.02 -3.18 -0.22 0.00 -2.23 0.00 0.00 60.65 55.03 2eei s ILE 39 Cb -0.19 -4.30 -0.13 0.00 -1.58 0.00 0.00 42.46 36.26 2eei s ILE 39 CO 0.06 -1.09 0.48 0.41 -1.23 0.00 0.00 174.94 173.56 2eei n THR 40 N 3.08 1.03 -2.24 2.92 -1.04 -0.88 -4.70 114.28 112.44 2eei n THR 40 Ca 0.19 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 2eei n THR 40 Cb 0.41 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 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 -0.51 4.44 -1.60 -2.82 0.04 -1.26 -3.29 135.00 129.99 2eei s PRO 41 Ca 0.51 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 2eei s PRO 41 Cb -0.72 -3.14 0.10 0.00 0.04 0.00 0.00 34.50 30.77 2eei s PRO 41 CO 0.40 -0.10 0.58 0.94 0.04 0.00 0.00 177.00 178.86 2eei n GLN 42 N 1.52 -2.88 -3.27 4.56 7.27 -1.26 -4.94 117.38 118.38 2eei n GLN 42 Ca 0.02 0.34 -0.16 0.00 0.07 0.00 0.00 57.00 57.27 2eei n GLN 42 Cb 0.43 -4.75 -0.03 0.00 2.41 0.00 0.00 30.24 28.30 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 -1.69 3.70 0.30 1.69 0.00 -1.21 -4.91 105.19 103.07 2eei n GLY 43 Ca -0.09 -2.28 0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 1.04 0.53 0.18 1.61 2.07 -1.88 0.25 116.25 120.06 2eei h VAL 44 Ca -0.21 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2eei h VAL 44 Cb 0.66 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2eei h VAL 44 CO 0.35 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.92 2eei h ALA 45 N 1.64 -0.50 -0.99 1.67 0.00 -1.86 -1.94 119.26 117.29 2eei h ALA 45 Ca 0.49 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.63 2eei h ALA 45 Cb 0.85 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2eei h ALA 45 CO -0.49 -0.48 0.93 1.98 0.00 0.00 0.00 179.25 181.19 2eei h MET 46 N -0.48 0.00 0.17 0.00 -1.53 -1.63 1.01 114.93 112.46 2eei h MET 46 Ca -0.03 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 55.94 2eei h MET 46 Cb 0.19 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.25 2eei h MET 46 CO 0.04 0.00 -1.36 0.00 0.14 0.00 0.00 176.91 175.73 2eei h ARG 47 N 0.00 0.36 0.00 0.39 2.47 -0.51 -3.28 114.38 113.81 2eei h ARG 47 Ca 0.47 -0.61 -0.07 0.00 -1.26 0.00 0.00 59.98 58.51 2eei h ARG 47 Cb 2.33 0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 30.87 2eei h ARG 47 CO -0.00 1.28 -0.33 0.00 0.56 0.00 0.00 179.97 181.48 2eei h ALA 48 N 0.43 1.38 0.00 0.04 0.00 0.19 -3.47 119.26 117.82 2eei h ALA 48 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2eei h ALA 48 Cb 2.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2eei h ALA 48 CO 0.22 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2eei n GLY 49 N -0.50 1.70 3.66 0.00 0.00 -0.67 -4.75 105.19 104.64 2eei n GLY 49 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 5.25 0.56 1.61 0.11 -1.22 -5.01 120.40 119.70 2eei s VAL 50 Ca 0.00 0.52 -0.06 0.00 -2.93 0.00 0.00 61.98 59.50 2eei s VAL 50 Cb 0.00 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.19 2eei s VAL 50 CO 0.00 0.28 0.88 -0.76 -3.33 0.00 0.00 175.10 172.17 2eei s LEU 51 N 1.26 3.37 0.73 2.54 1.43 -1.26 -4.55 118.68 122.20 2eei s LEU 51 Ca 0.15 0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 2eei s LEU 51 Cb -0.14 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.32 2eei s LEU 51 CO 0.07 -0.86 1.07 0.00 0.23 0.00 0.00 176.35 176.86 2eei s ALA 52 N -2.93 2.56 -1.77 4.21 0.00 -1.26 -3.61 121.76 118.96 2eei s ALA 52 Ca 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.41 2eei s ALA 52 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2eei s ALA 52 CO 0.46 -1.37 0.00 -0.25 0.00 0.00 0.00 175.76 174.60 2eei n ASP 53 N -3.21 -5.15 -4.58 0.00 8.00 0.29 -4.79 116.55 107.11 2eei n ASP 53 Ca 0.07 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.39 2eei n ASP 53 Cb 0.55 -4.44 -0.05 0.00 -0.02 0.00 0.00 41.12 37.16 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 -2.30 6.56 -0.27 -2.24 1.11 -1.07 -4.82 116.67 113.64 2eei s ASP 54 Ca 0.00 0.31 -0.29 0.00 0.18 0.00 0.00 52.55 52.74 2eei s ASP 54 Cb 0.00 -2.43 -0.07 0.00 1.07 0.00 0.00 42.92 41.50 2eei s ASP 54 CO 0.00 -0.86 2.24 1.57 1.18 0.00 0.00 175.17 179.30 2eei n HIS 55 N 6.72 1.84 -1.79 4.23 -0.00 -1.26 -2.64 115.22 122.32 2eei n HIS 55 Ca 0.05 -0.03 -0.42 0.00 0.46 0.00 0.00 57.72 57.78 2eei n HIS 55 Cb 0.48 -2.68 -0.03 0.00 -0.12 0.00 0.00 29.99 27.64 2eei n HIS 55 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2eei s LEU 56 N 8.39 4.40 -0.13 0.27 2.96 -1.17 -4.16 118.68 129.23 2eei s LEU 56 Ca 1.03 2.55 -0.13 0.00 -0.22 0.00 0.00 54.13 57.36 2eei s LEU 56 Cb -0.44 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.61 2eei s LEU 56 CO 0.38 -1.00 0.21 0.40 -1.32 0.00 0.00 176.35 175.02 2eei h ILE 57 N 5.44 0.63 -3.46 6.68 1.08 -0.49 -3.34 117.51 124.05 2eei h ILE 57 Ca -0.46 -1.55 -0.04 0.00 -0.39 0.00 0.00 64.86 62.43 2eei h ILE 57 Cb 1.22 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 36.17 2eei h ILE 57 CO 0.94 0.22 0.00 -1.83 -0.69 0.00 0.00 178.15 176.79 2eei s GLU 58 N -1.99 1.70 -0.05 2.37 -1.05 -1.23 -1.32 118.70 117.14 2eei s GLU 58 Ca -0.12 -1.24 -0.01 0.00 -0.15 0.00 0.00 54.97 53.45 2eei s GLU 58 Cb 0.00 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2eei s GLU 58 CO 0.32 -0.74 0.02 0.08 0.95 0.00 0.00 175.26 175.90 2eei s VAL 59 N -3.76 0.12 -1.53 1.83 1.01 -0.89 -2.91 120.40 114.27 2eei s VAL 59 Ca 0.19 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2eei s VAL 59 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.06 2eei s VAL 59 CO 0.10 0.19 0.00 0.59 0.00 0.00 0.00 175.10 175.98 2eei n ASN 60 N 4.86 -4.98 -0.09 3.32 3.02 0.72 -1.18 115.26 120.93 2eei n ASN 60 Ca -0.12 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2eei n ASN 60 Cb 0.50 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 2eei n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eei n GLY 61 N -0.83 0.64 2.80 7.41 0.00 -1.26 -4.95 105.19 109.00 2eei n GLY 61 Ca -0.20 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2eei n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eei s GLU 62 N -3.81 0.92 -0.56 1.61 2.02 -0.33 -5.07 118.70 113.48 2eei s GLU 62 Ca 0.00 -1.11 -0.35 0.00 0.02 0.00 0.00 54.97 53.54 2eei s GLU 62 Cb 0.00 -2.24 -0.15 0.00 0.10 0.00 0.00 34.13 31.84 2eei s GLU 62 CO 0.00 -0.90 2.34 -1.71 0.02 0.00 0.00 175.26 175.01 2eei n ASN 63 N 4.77 1.41 -0.17 -0.19 2.85 -1.26 -2.09 115.26 120.58 2eei n ASN 63 Ca -0.03 0.27 0.02 0.00 -0.11 0.00 0.00 54.58 54.73 2eei n ASN 63 Cb 0.43 -1.15 0.05 0.00 1.24 0.00 0.00 39.78 40.35 2eei n ASN 63 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2eei n VAL 64 N 7.26 1.08 -0.24 3.44 0.24 -0.96 -4.77 118.33 124.37 2eei n VAL 64 Ca 0.50 -1.09 0.14 0.00 -2.04 0.00 0.00 64.34 61.84 2eei n VAL 64 Cb 0.17 0.44 0.26 0.00 -1.47 0.00 0.00 33.84 33.25 2eei n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2eei n GLU 65 N -0.32 -0.05 -2.46 7.34 1.02 -0.43 0.29 120.64 126.03 2eei n GLU 65 Ca 0.04 1.06 -0.20 0.00 -0.02 0.00 0.00 57.16 58.04 2eei n GLU 65 Cb 0.33 -1.73 0.01 0.00 -0.02 0.00 0.00 31.44 30.03 2eei n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2eei n ASP 66 N -4.90 3.75 -4.74 1.62 5.68 -1.26 -3.64 116.55 113.07 2eei n ASP 66 Ca 0.19 -3.35 -0.35 0.00 -0.50 0.00 0.00 54.79 50.78 2eei n ASP 66 Cb 0.65 -0.45 -0.08 0.00 -1.14 0.00 0.00 41.12 40.09 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 -3.48 3.62 0.62 2.12 0.00 0.15 -4.26 121.76 120.52 2eei s ALA 67 Ca 0.42 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.50 2eei s ALA 67 Cb 0.41 -1.98 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 2eei s ALA 67 CO -0.08 0.32 0.58 0.45 0.00 0.00 0.00 175.76 177.03 2eei n SER 68 N 3.00 -0.86 -0.06 0.00 2.88 -1.26 -4.04 113.62 113.28 2eei n SER 68 Ca -0.17 0.70 0.07 0.00 -1.33 0.00 0.00 58.87 58.14 2eei n SER 68 Cb 0.53 -1.21 0.43 0.00 -0.75 0.00 0.00 64.21 63.21 2eei n SER 68 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2eei h HIS 69 N 0.10 0.54 0.00 0.66 2.76 -1.98 0.21 115.15 117.44 2eei h HIS 69 Ca -0.46 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 2eei h HIS 69 Cb 1.38 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 2eei h HIS 69 CO 0.33 0.30 -0.17 0.93 -1.30 0.00 0.00 177.93 178.02 2eei h GLU 70 N 0.55 0.00 0.05 5.26 5.08 -2.00 -1.50 114.58 122.02 2eei h GLU 70 Ca 0.22 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.35 2eei h GLU 70 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2eei h GLU 70 CO -0.06 0.17 -1.09 0.93 -1.00 0.00 0.00 179.01 177.97 2eei h GLU 71 N 0.00 0.11 0.00 2.33 4.39 -1.31 -3.29 114.58 116.82 2eei h GLU 71 Ca -0.00 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2eei h GLU 71 Cb 0.94 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2eei h GLU 71 CO 0.02 1.08 -0.26 0.28 -1.16 0.00 0.00 179.01 178.98 2eei h VAL 72 N 0.03 0.00 -0.77 3.13 2.07 -1.29 -3.19 116.25 116.23 2eei h VAL 72 Ca -0.06 -0.88 0.21 0.00 0.82 0.00 0.00 66.70 66.80 2eei h VAL 72 Cb 1.83 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.46 2eei h VAL 72 CO 0.16 0.00 0.01 0.55 0.02 0.00 0.00 177.57 178.31 2eei n VAL 73 N -4.37 -0.32 -0.12 2.57 3.14 -0.57 0.20 118.33 118.86 2eei n VAL 73 Ca -0.04 1.69 -0.12 0.00 -2.96 0.00 0.00 64.34 62.92 2eei n VAL 73 Cb 0.13 -2.47 -0.02 0.00 -1.06 0.00 0.00 33.84 30.42 2eei n VAL 73 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 2eei h GLU 74 N 0.00 0.75 -0.65 1.45 4.11 -1.74 -2.75 114.58 115.75 2eei h GLU 74 Ca 0.46 -0.31 0.08 0.00 0.07 0.00 0.00 59.36 59.67 2eei h GLU 74 Cb 0.95 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 2eei h GLU 74 CO -0.73 0.92 0.31 0.87 0.07 0.00 0.00 179.01 180.45 2eei h LYS 75 N 0.54 0.53 0.49 1.06 1.57 0.23 -1.62 116.57 119.37 2eei h LYS 75 Ca 0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2eei h LYS 75 Cb 0.67 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2eei h LYS 75 CO 0.05 0.35 -0.23 0.28 -0.57 0.00 0.00 179.45 179.32 2eei h VAL 76 N 0.54 0.51 -0.56 0.50 2.07 -1.06 -2.63 116.25 115.61 2eei h VAL 76 Ca 0.32 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.81 2eei h VAL 76 Cb 0.32 0.57 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 2eei h VAL 76 CO -0.26 0.02 -0.19 0.11 0.02 0.00 0.00 177.57 177.28 2eei h LYS 77 N -0.74 -0.05 -0.28 1.57 1.57 -1.18 -1.31 116.57 116.15 2eei h LYS 77 Ca -0.07 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2eei h LYS 77 Cb 0.54 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 2eei h LYS 77 CO 0.11 -0.03 -0.24 0.87 -0.57 0.00 0.00 179.45 179.59 2eei h LYS 78 N -0.05 -0.22 -0.65 3.15 1.79 -1.22 -1.76 116.57 117.60 2eei h LYS 78 Ca 0.26 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.92 2eei h LYS 78 Cb 0.46 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 31.04 2eei h LYS 78 CO -0.60 -0.15 -0.01 0.45 -1.08 0.00 0.00 179.45 178.06 2eei n SER 79 N -5.38 -0.10 0.00 0.86 2.88 -0.50 -4.86 113.62 106.52 2eei n SER 79 Ca -0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2eei n SER 79 Cb 0.29 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.34 1.00 0.00 0.46 0.00 -0.66 -4.75 105.19 99.90 2eei n GLY 80 Ca 0.15 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 2.27 -4.17 1.61 7.64 -1.26 -4.86 113.62 114.85 2eei n SER 81 Ca 0.00 -0.27 -0.14 0.00 1.01 0.00 0.00 58.87 59.47 2eei n SER 81 Cb 0.00 1.12 -0.11 0.00 -1.01 0.00 0.00 64.21 64.22 2eei n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eei s ARG 82 N -1.95 0.84 0.13 1.43 1.70 -1.26 -0.60 118.95 119.24 2eei s ARG 82 Ca -0.00 -1.14 -0.07 0.00 -0.47 0.00 0.00 55.73 54.04 2eei s ARG 82 Cb 0.03 -0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 33.87 2eei s ARG 82 CO 0.20 0.08 0.21 0.14 -1.08 0.00 0.00 175.30 174.85 2eei s VAL 83 N -2.40 0.10 -0.36 4.99 -7.23 0.71 -4.81 120.40 111.41 2eei s VAL 83 Ca 0.05 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2eei s VAL 83 Cb -0.03 -1.69 0.06 0.00 0.56 0.00 0.00 36.38 35.29 2eei s VAL 83 CO -0.00 -0.47 0.13 -0.32 -0.31 0.00 0.00 175.10 174.13 2eei s MET 84 N -3.94 2.45 -0.08 4.82 1.75 -1.26 -1.49 119.30 121.55 2eei s MET 84 Ca 0.14 -1.38 -0.04 0.00 -1.25 0.00 0.00 55.69 53.15 2eei s MET 84 Cb 0.05 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 34.19 2eei s MET 84 CO -0.04 -0.79 0.10 -0.06 -0.65 0.00 0.00 175.02 173.58 2eei s PHE 85 N 1.32 3.43 -0.17 4.11 0.08 -0.33 -0.20 117.98 126.22 2eei s PHE 85 Ca 0.00 0.37 -0.01 0.00 0.12 0.00 0.00 56.93 57.41 2eei s PHE 85 Cb -0.21 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2eei s PHE 85 CO 0.00 0.63 -0.02 -1.17 -0.10 0.00 0.00 175.22 174.56 2eei s LEU 86 N -1.24 1.49 0.32 -0.37 2.96 -1.15 -0.06 118.68 120.62 2eei s LEU 86 Ca 0.18 -0.70 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2eei s LEU 86 Cb -0.12 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 2eei s LEU 86 CO 0.07 -0.22 0.15 -0.76 -1.32 0.00 0.00 176.35 174.27 2eei s LEU 87 N 1.71 1.73 0.12 -0.68 1.02 -1.25 0.29 118.68 121.62 2eei s LEU 87 Ca 0.00 -1.56 0.10 0.00 0.02 0.00 0.00 54.13 52.68 2eei s LEU 87 Cb -0.16 0.14 -0.04 0.00 0.02 0.00 0.00 46.19 46.16 2eei s LEU 87 CO -0.07 -0.88 -0.20 -0.69 0.02 0.00 0.00 176.35 174.52 2eei s VAL 88 N -3.55 2.68 -0.08 -1.59 1.01 -1.26 -3.56 120.40 114.05 2eei s VAL 88 Ca 0.35 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 2eei s VAL 88 Cb 0.05 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 2eei s VAL 88 CO 0.17 0.09 1.90 -1.81 0.00 0.00 0.00 175.10 175.45 2eei s ASP 89 N -2.15 6.26 0.47 3.32 1.01 -1.26 -4.56 116.67 119.76 2eei s ASP 89 Ca 0.17 2.23 0.36 0.00 0.71 0.00 0.00 52.55 56.02 2eei s ASP 89 Cb -0.10 -2.53 1.55 0.00 1.01 0.00 0.00 42.92 42.85 2eei s ASP 89 CO 0.09 -1.27 1.58 0.07 0.21 0.00 0.00 175.17 175.85 2eei h LYS 90 N 11.40 0.01 -0.64 8.23 2.10 -1.87 1.18 116.57 136.97 2eei h LYS 90 Ca -0.43 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.25 2eei h LYS 90 Cb 1.21 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.50 2eei h LYS 90 CO 0.96 0.00 0.40 0.93 -2.00 0.00 0.00 179.45 179.74 2eei h GLU 91 N 0.01 0.76 0.03 0.07 3.07 -1.88 -2.24 114.58 114.40 2eei h GLU 91 Ca 0.89 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.63 2eei h GLU 91 Cb 3.04 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 30.79 2eei h GLU 91 CO -0.37 0.50 -0.33 1.15 -1.40 0.00 0.00 179.01 178.56 2eei h THR 92 N 0.78 1.60 -0.44 1.13 2.02 0.99 -3.36 112.91 115.63 2eei h THR 92 Ca 0.26 -2.19 0.05 0.00 0.77 0.00 0.00 66.41 65.29 2eei h THR 92 Cb 0.01 3.03 -0.07 0.00 -1.74 0.00 0.00 68.15 69.38 2eei h THR 92 CO -0.10 0.60 -0.47 0.44 0.37 0.00 0.00 175.52 176.36 2eei h ASP 93 N -0.58 -1.61 -4.33 4.18 3.32 -1.12 -3.44 116.42 112.85 2eei h ASP 93 Ca -0.05 0.22 -0.29 0.00 0.02 0.00 0.00 57.03 56.93 2eei h ASP 93 Cb 1.17 0.67 -0.15 0.00 0.22 0.00 0.00 39.33 41.24 2eei h ASP 93 CO 0.06 -0.30 -0.68 -0.54 -1.72 0.00 0.00 179.24 176.06 2eei s LYS 94 N -5.16 1.05 0.64 3.56 -0.14 -0.85 -5.09 119.74 113.74 2eei s LYS 94 Ca -0.11 -1.48 -0.13 0.00 -1.36 0.00 0.00 55.97 52.89 2eei s LYS 94 Cb 0.07 -0.38 -0.02 0.00 -1.68 0.00 0.00 37.83 35.83 2eei s LYS 94 CO 0.51 -0.05 1.05 1.03 -0.76 0.00 0.00 175.35 177.13 2eei s ARG 95 N -3.85 3.26 -0.33 1.68 1.81 -1.26 -4.36 118.95 115.90 2eei s ARG 95 Ca 0.20 0.99 -0.03 0.00 -1.72 0.00 0.00 55.73 55.17 2eei s ARG 95 Cb 0.05 -2.03 0.05 0.00 -0.45 0.00 0.00 34.95 32.57 2eei s ARG 95 CO 0.01 -0.85 0.06 -1.58 -0.68 0.00 0.00 175.30 172.26 2eei s HIS 96 N -2.85 3.30 -0.15 -0.53 2.46 -1.26 -5.06 115.29 111.20 2eei s HIS 96 Ca 0.59 -1.82 0.02 0.00 0.47 0.00 0.00 55.06 54.33 2eei s HIS 96 Cb -0.14 -2.30 0.01 0.00 -0.13 0.00 0.00 32.58 30.02 2eei s HIS 96 CO 0.47 -0.81 -0.21 0.08 -2.47 0.00 0.00 174.74 171.80 2eei s VAL 97 N 1.28 2.08 -0.43 0.89 1.01 -1.26 -5.09 120.40 118.89 2eei s VAL 97 Ca -0.02 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2eei s VAL 97 Cb -0.20 -1.84 0.12 0.00 0.00 0.00 0.00 36.38 34.45 2eei s VAL 97 CO -0.00 0.55 0.18 -0.70 0.00 0.00 0.00 175.10 175.12 2eei s GLU 98 N 0.96 1.85 -0.12 2.72 2.56 -1.26 -5.08 118.70 120.33 2eei s GLU 98 Ca -0.03 -2.09 0.03 0.00 0.00 0.00 0.00 54.97 52.88 2eei s GLU 98 Cb -0.15 -3.40 0.01 0.00 2.00 0.00 0.00 34.13 32.59 2eei s GLU 98 CO -0.05 -1.04 -0.23 -0.65 -0.56 0.00 0.00 175.26 172.73 2eei s GLN 99 N 0.62 3.03 -0.37 4.30 -0.21 -1.26 -5.10 119.66 120.67 2eei s GLN 99 Ca 0.12 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.51 2eei s GLN 99 Cb -0.22 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.43 2eei s GLN 99 CO -0.05 0.07 0.24 0.21 -2.12 0.00 0.00 175.29 173.64 2eei s LYS 100 N 0.61 3.10 -0.10 2.91 2.20 -1.26 -4.97 119.74 122.23 2eei s LYS 100 Ca -0.12 -0.91 -0.01 0.00 -0.36 0.00 0.00 55.97 54.57 2eei s LYS 100 Cb -0.17 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 2eei s LYS 100 CO 0.03 -0.62 -0.01 0.77 -0.36 0.00 0.00 175.35 175.16 2eei h SER 101 N 8.50 0.00 0.00 1.43 0.02 -2.06 -3.49 113.55 117.96 2eei h SER 101 Ca -0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2eei h SER 101 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2eei h SER 101 CO 0.67 0.53 0.00 0.61 -1.14 0.00 0.00 176.83 177.50 2eei n GLY 102 N 1.76 -1.24 0.00 -3.77 0.00 -1.26 -5.01 105.19 95.67 2eei n GLY 102 Ca -0.01 0.79 0.07 0.00 0.00 0.00 0.00 46.02 46.87 2eei n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eei n PRO 103 N 0.00 0.10 -1.05 1.61 -0.04 -1.26 -4.84 135.00 129.52 2eei n PRO 103 Ca 0.00 0.20 -0.48 0.00 -0.04 0.00 0.00 63.50 63.19 2eei n PRO 103 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2eei n PRO 103 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2eei n SER 104 N -1.40 0.58 -4.56 3.54 3.41 -1.26 -4.70 113.62 109.22 2eei n SER 104 Ca 0.05 0.51 -0.38 0.00 -0.26 0.00 0.00 58.87 58.79 2eei n SER 104 Cb 0.14 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 2eei n SER 104 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2eei s SER 105 N 5.20 4.83 0.00 4.04 0.01 -1.26 -5.27 113.70 121.24 2eei s SER 105 Ca 1.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 59.47 2eei s SER 105 Cb -1.21 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 62.51 2eei s SER 105 CO 0.53 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 172.23