#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 1.91 -0.07 1.61 1.04 -1.26 -5.02 113.70 111.91 2eei s SER 2 Ca 0.00 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 2eei s SER 2 Cb 0.00 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 2eei s SER 2 CO 0.00 -0.19 -0.21 -0.24 0.98 0.00 0.00 173.24 173.58 2eei n SER 3 N 5.08 1.60 0.00 7.02 2.88 -1.26 -5.11 113.62 123.83 2eei n SER 3 Ca -0.09 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 2eei n SER 3 Cb 0.50 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2eei n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2eei n GLY 4 N 2.26 1.28 3.52 0.46 0.00 -1.26 -5.17 105.19 106.28 2eei n GLY 4 Ca -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.42 -0.47 1.25 1.61 1.04 -1.26 -5.17 113.70 112.11 2eei s SER 5 Ca 0.00 0.71 -0.20 0.00 0.48 0.00 0.00 55.95 56.94 2eei s SER 5 Cb 0.00 1.37 0.30 0.00 0.10 0.00 0.00 66.02 67.79 2eei s SER 5 CO 0.00 -0.11 1.08 -0.94 0.98 0.00 0.00 173.24 174.25 2eei s SER 6 N 1.80 0.52 0.00 7.02 1.04 -1.26 -4.89 113.70 117.93 2eei s SER 6 Ca -0.06 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2eei s SER 6 Cb -0.04 -0.93 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2eei s SER 6 CO -0.16 -4.37 0.00 0.61 0.98 0.00 0.00 173.24 170.30 2eei n GLY 7 N -0.52 -0.88 0.46 7.32 0.00 -1.26 -4.99 105.19 105.33 2eei n GLY 7 Ca 0.13 0.31 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 2eei n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2eei h GLN 8 N 0.00 -0.48 -7.12 1.61 1.08 -2.00 -3.41 115.11 104.80 2eei h GLN 8 Ca 0.00 0.03 -0.50 0.00 -1.45 0.00 0.00 58.65 56.73 2eei h GLN 8 Cb 0.00 0.11 0.08 0.00 -0.05 0.00 0.00 27.48 27.62 2eei h GLN 8 CO 0.00 -0.32 0.42 -1.25 -0.95 0.00 0.00 178.83 176.73 2eei s PRO 9 N -5.67 3.21 0.16 1.46 0.04 -1.26 -4.86 135.00 128.08 2eei s PRO 9 Ca -0.15 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 2eei s PRO 9 Cb 0.08 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2eei s PRO 9 CO 0.61 -0.95 0.39 1.03 0.04 0.00 0.00 177.00 178.12 2eei s ARG 10 N -3.49 3.61 -0.54 4.56 0.52 -0.75 -4.95 118.95 117.91 2eei s ARG 10 Ca 0.71 -0.11 -0.18 0.00 -0.52 0.00 0.00 55.73 55.63 2eei s ARG 10 Cb -0.23 -2.83 0.08 0.00 0.52 0.00 0.00 34.95 32.49 2eei s ARG 10 CO 0.31 0.44 0.62 -1.17 0.02 0.00 0.00 175.30 175.52 2eei s LEU 11 N -2.79 5.27 -0.67 2.53 1.98 -1.26 -3.07 118.68 120.67 2eei s LEU 11 Ca 0.41 -1.21 -0.22 0.00 -2.89 0.00 0.00 54.13 50.23 2eei s LEU 11 Cb -0.12 -2.35 0.08 0.00 0.66 0.00 0.00 46.19 44.46 2eei s LEU 11 CO 0.25 -0.95 0.94 0.00 -1.89 0.00 0.00 176.35 174.70 2eei s TYR 13 N 3.76 3.27 0.09 0.00 5.04 -1.26 -0.18 117.35 128.06 2eei s TYR 13 Ca 0.21 0.92 -0.04 0.00 -2.44 0.00 0.00 57.07 55.72 2eei s TYR 13 Cb -0.17 -2.99 -0.05 0.00 0.35 0.00 0.00 41.96 39.10 2eei s TYR 13 CO 0.08 -0.40 0.31 -0.51 -1.34 0.00 0.00 175.55 173.69 2eei s LEU 14 N 2.71 4.32 -0.14 6.97 2.01 -0.07 -4.57 118.68 129.91 2eei s LEU 14 Ca 0.30 0.51 -0.04 0.00 0.01 0.00 0.00 54.13 54.92 2eei s LEU 14 Cb -0.15 -3.05 0.05 0.00 0.01 0.00 0.00 46.19 43.05 2eei s LEU 14 CO 0.09 0.14 0.07 -0.69 1.01 0.00 0.00 176.35 176.97 2eei s VAL 15 N -1.52 0.00 -0.21 -1.59 1.01 -1.26 -0.48 120.40 116.35 2eei s VAL 15 Ca 0.36 -0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.94 2eei s VAL 15 Cb -0.13 -0.52 -0.11 0.00 0.00 0.00 0.00 36.38 35.62 2eei s VAL 15 CO 0.23 -0.13 2.01 0.29 0.00 0.00 0.00 175.10 177.50 2eei n LYS 16 N 5.25 1.70 0.01 2.72 5.02 0.84 -4.80 118.16 128.89 2eei n LYS 16 Ca -0.06 0.57 -0.03 0.00 -2.02 0.00 0.00 58.31 56.77 2eei n LYS 16 Cb 0.49 -2.61 -0.01 0.00 -0.02 0.00 0.00 35.03 32.89 2eei n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2eei n GLU 17 N 7.28 0.08 -3.96 1.97 -0.58 -1.26 -4.99 120.64 119.17 2eei n GLU 17 Ca 0.30 0.03 -0.28 0.00 -0.42 0.00 0.00 57.16 56.79 2eei n GLU 17 Cb 0.28 -0.64 -0.17 0.00 -0.57 0.00 0.00 31.44 30.34 2eei n GLU 17 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2eei s GLY 18 N -4.51 0.94 0.00 0.62 0.00 -1.26 -5.05 107.32 98.06 2eei s GLY 18 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2eei s GLY 18 CO 0.07 0.69 0.00 0.61 0.00 0.00 0.00 173.10 174.47 2eei n GLY 19 N 4.86 0.77 3.84 0.20 0.00 -1.26 -4.26 105.19 109.33 2eei n GLY 19 Ca -0.14 0.56 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2eei n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eei s SER 20 N -2.91 6.81 0.00 1.61 0.01 -1.26 -5.02 113.70 112.94 2eei s SER 20 Ca 0.00 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2eei s SER 20 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2eei s SER 20 CO 0.00 -0.28 0.81 -1.22 0.41 0.00 0.00 173.24 172.96 2eei n TYR 21 N -0.54 0.00 0.00 2.43 4.01 -1.26 -4.85 117.16 116.95 2eei n TYR 21 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2eei n TYR 21 Cb 0.53 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2eei n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2eei n GLY 22 N -0.89 1.55 3.68 2.72 0.00 -1.26 -3.60 105.19 107.39 2eei n GLY 22 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 1.99 0.00 1.61 -0.12 -1.26 -3.85 117.98 116.35 2eei s PHE 23 Ca 0.00 0.91 0.03 0.00 -0.05 0.00 0.00 56.93 57.83 2eei s PHE 23 Cb 0.00 -3.30 -0.01 0.00 -0.63 0.00 0.00 43.02 39.08 2eei s PHE 23 CO 0.00 -2.98 -0.11 -1.12 -0.05 0.00 0.00 175.22 170.96 2eei s SER 24 N -3.55 1.29 -0.09 1.98 0.01 -0.77 -4.97 113.70 107.60 2eei s SER 24 Ca 0.66 -0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.69 2eei s SER 24 Cb -0.18 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 2eei s SER 24 CO 0.57 0.10 -0.13 -0.76 0.41 0.00 0.00 173.24 173.43 2eei s LEU 25 N -0.44 2.76 -0.16 2.44 1.43 -1.26 -2.23 118.68 121.22 2eei s LEU 25 Ca 0.03 -0.25 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 2eei s LEU 25 Cb -0.05 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2eei s LEU 25 CO -0.00 0.26 0.38 -1.59 0.23 0.00 0.00 176.35 175.62 2eei s LYS 26 N -0.19 0.34 0.32 1.70 -2.85 -1.25 -5.03 119.74 112.78 2eei s LYS 26 Ca 0.00 0.76 -0.26 0.00 -1.00 0.00 0.00 55.97 55.47 2eei s LYS 26 Cb -0.13 -0.02 -0.10 0.00 -2.06 0.00 0.00 37.83 35.52 2eei s LYS 26 CO 0.03 -0.17 0.94 0.95 0.10 0.00 0.00 175.35 177.20 2eei s THR 27 N 1.49 4.22 0.11 3.79 -4.23 -1.26 -4.42 115.64 115.34 2eei s THR 27 Ca -0.09 1.82 0.05 0.00 -1.18 0.00 0.00 61.69 62.29 2eei s THR 27 Cb -0.09 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2eei s THR 27 CO -0.12 0.16 0.04 -0.69 -0.54 0.00 0.00 174.62 173.47 2eei s VAL 28 N -1.60 4.18 -0.11 2.29 1.01 -1.26 -5.04 120.40 119.86 2eei s VAL 28 Ca 0.50 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 2eei s VAL 28 Cb -0.19 -3.03 -0.27 0.00 0.00 0.00 0.00 36.38 32.89 2eei s VAL 28 CO 0.24 0.05 0.65 0.06 0.00 0.00 0.00 175.10 176.10 2eei h GLN 29 N 3.14 0.16 -0.94 2.72 3.07 -2.00 -3.33 115.11 117.93 2eei h GLN 29 Ca -0.47 -0.27 -0.05 0.00 0.09 0.00 0.00 58.65 57.95 2eei h GLN 29 Cb 1.17 0.10 -0.03 0.00 0.08 0.00 0.00 27.48 28.81 2eei h GLN 29 CO 0.62 1.13 0.06 0.41 0.09 0.00 0.00 178.83 181.13 2eei n GLY 30 N 1.64 2.13 1.92 0.06 0.00 -1.26 -4.85 105.19 104.82 2eei n GLY 30 Ca -0.19 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 2eei n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eei n LYS 31 N 0.14 0.45 -4.14 1.61 5.02 -1.25 -5.19 118.16 114.80 2eei n LYS 31 Ca 0.09 -1.48 -0.11 0.00 -2.02 0.00 0.00 58.31 54.79 2eei n LYS 31 Cb 0.59 1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 37.00 2eei n LYS 31 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2eei s LYS 32 N -2.35 0.74 0.40 1.97 -2.85 -1.26 -4.74 119.74 111.66 2eei s LYS 32 Ca 0.14 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.96 2eei s LYS 32 Cb -0.01 -0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.52 2eei s LYS 32 CO 0.10 0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.97 2eei n GLY 33 N 0.43 -3.75 3.90 0.59 0.00 -1.26 -4.96 105.19 100.15 2eei n GLY 33 Ca -0.15 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.68 4.93 0.29 1.61 -7.23 -1.26 -4.68 120.40 109.38 2eei s VAL 34 Ca 0.00 0.18 -0.17 0.00 -1.81 0.00 0.00 61.98 60.18 2eei s VAL 34 Cb 0.00 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 33.16 2eei s VAL 34 CO 0.00 -0.61 0.65 -0.72 -0.31 0.00 0.00 175.10 174.11 2eei s TYR 35 N -2.45 0.09 0.05 2.82 -0.85 -1.26 -3.01 117.35 112.74 2eei s TYR 35 Ca 0.47 -0.55 -0.31 0.00 -0.52 0.00 0.00 57.07 56.16 2eei s TYR 35 Cb -0.10 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 2eei s TYR 35 CO 0.37 -1.23 1.20 -1.64 -1.52 0.00 0.00 175.55 172.73 2eei s MET 36 N -3.61 4.43 -0.07 -3.49 -1.94 -1.24 -3.97 119.30 109.41 2eei s MET 36 Ca 0.16 1.76 -0.01 0.00 -1.71 0.00 0.00 55.69 55.89 2eei s MET 36 Cb -0.04 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 2eei s MET 36 CO 0.09 -0.27 -0.08 -2.37 -0.01 0.00 0.00 175.02 172.39 2eei n THR 37 N 3.98 0.42 -4.09 2.05 5.66 -0.95 -0.63 114.28 120.73 2eei n THR 37 Ca 0.09 -0.14 -0.32 0.00 -3.05 0.00 0.00 64.05 60.62 2eei n THR 37 Cb 0.46 -1.02 -0.16 0.00 -1.55 0.00 0.00 70.33 68.07 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 -5.02 3.74 -0.36 1.09 2.15 -1.26 -4.74 116.67 112.28 2eei s ASP 38 Ca -0.10 -1.00 -0.12 0.00 0.43 0.00 0.00 52.55 51.76 2eei s ASP 38 Cb 0.03 -1.49 0.01 0.00 -0.30 0.00 0.00 42.92 41.17 2eei s ASP 38 CO 0.16 -0.10 0.22 -0.63 -0.17 0.00 0.00 175.17 174.65 2eei s ILE 39 N 1.22 4.87 0.01 4.11 -1.09 -1.26 -1.84 121.20 127.21 2eei s ILE 39 Ca -0.02 -0.59 -0.30 0.00 -2.23 0.00 0.00 60.65 57.51 2eei s ILE 39 Cb -0.16 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 2eei s ILE 39 CO -0.09 -0.14 1.63 -0.89 -1.23 0.00 0.00 174.94 174.23 2eei s THR 40 N 1.63 3.33 0.26 2.92 2.01 -1.25 -4.91 115.64 119.63 2eei s THR 40 Ca 0.04 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 2eei s THR 40 Cb -0.18 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 2eei s THR 40 CO 0.08 -0.02 1.26 -2.16 -0.69 0.00 0.00 174.62 173.08 2eei s PRO 41 N 3.21 4.44 -1.41 4.92 0.04 -1.26 -2.96 135.00 141.98 2eei s PRO 41 Ca 0.73 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.79 2eei s PRO 41 Cb -0.36 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.04 2eei s PRO 41 CO 0.31 -0.13 0.26 0.94 0.04 0.00 0.00 177.00 178.43 2eei n GLN 42 N 1.70 -3.06 0.00 4.56 -0.06 -1.26 -4.95 117.38 114.31 2eei n GLN 42 Ca 0.02 0.75 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 2eei n GLN 42 Cb 0.43 -5.46 0.00 0.00 -4.06 0.00 0.00 30.24 21.15 2eei n GLN 42 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2eei n GLY 43 N -1.12 4.27 0.13 1.69 0.00 -1.15 -4.99 105.19 104.01 2eei n GLY 43 Ca -0.14 -1.89 -0.20 0.00 0.00 0.00 0.00 46.02 43.80 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 0.00 1.46 0.00 1.61 2.07 -1.83 -3.16 116.25 116.40 2eei h VAL 44 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2eei h VAL 44 Cb 0.00 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2eei h VAL 44 CO 0.00 0.69 0.00 0.00 0.02 0.00 0.00 177.57 178.28 2eei n ALA 45 N -2.65 -0.34 -0.60 1.67 0.00 -1.26 -1.47 120.51 115.86 2eei n ALA 45 Ca -0.13 0.00 0.48 0.00 0.00 0.00 0.00 53.44 53.79 2eei n ALA 45 Cb 0.80 0.00 0.78 0.00 0.00 0.00 0.00 19.45 21.03 2eei n ALA 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2eei h MET 46 N 0.00 0.01 -0.19 0.00 -1.53 -1.73 1.37 114.93 112.87 2eei h MET 46 Ca 0.00 -0.00 -0.19 0.00 -3.44 0.00 0.00 59.70 56.07 2eei h MET 46 Cb 0.00 -0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.05 2eei h MET 46 CO 0.00 0.01 -0.64 -0.09 0.14 0.00 0.00 176.91 176.33 2eei h ARG 47 N 0.01 0.76 0.00 0.39 1.12 -1.49 -2.98 114.38 112.20 2eei h ARG 47 Ca 0.87 -0.57 0.00 0.00 -1.11 0.00 0.00 59.98 59.17 2eei h ARG 47 Cb 3.32 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 33.39 2eei h ARG 47 CO -0.11 1.19 0.00 0.00 -3.11 0.00 0.00 179.97 177.94 2eei h ALA 48 N 0.57 1.00 0.00 2.80 0.00 0.30 -3.45 119.26 120.48 2eei h ALA 48 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2eei h ALA 48 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2eei h ALA 48 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2eei n GLY 49 N -0.69 1.37 3.66 0.00 0.00 -0.95 -4.27 105.19 104.31 2eei n GLY 49 Ca -0.01 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 4.72 0.13 1.61 0.11 -1.22 -4.93 120.40 118.81 2eei s VAL 50 Ca 0.00 -0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.08 2eei s VAL 50 Cb 0.00 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 2eei s VAL 50 CO 0.00 0.51 -0.22 -1.48 -3.33 0.00 0.00 175.10 170.58 2eei s LEU 51 N -0.04 2.54 0.75 2.54 0.05 -1.26 -4.20 118.68 119.06 2eei s LEU 51 Ca 0.06 -0.65 -0.15 0.00 0.05 0.00 0.00 54.13 53.43 2eei s LEU 51 Cb -0.12 -1.40 0.03 0.00 -2.05 0.00 0.00 46.19 42.65 2eei s LEU 51 CO 0.01 0.17 1.07 0.00 -0.55 0.00 0.00 176.35 177.05 2eei n ALA 52 N 0.79 -0.08 -2.67 1.48 0.00 -1.26 -3.71 120.51 115.05 2eei n ALA 52 Ca -0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 52.98 2eei n ALA 52 Cb 0.53 -2.18 0.03 0.00 0.00 0.00 0.00 19.45 17.83 2eei n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eei n ASP 53 N -2.24 -2.77 -3.84 0.00 -0.08 0.20 -4.90 116.55 102.92 2eei n ASP 53 Ca 0.13 -0.18 -0.30 0.00 -1.51 0.00 0.00 54.79 52.93 2eei n ASP 53 Cb 0.50 -1.95 -0.15 0.00 2.34 0.00 0.00 41.12 41.85 2eei n ASP 53 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2eei s ASP 54 N -3.25 3.93 0.08 1.67 1.01 -1.24 -4.40 116.67 114.46 2eei s ASP 54 Ca 0.10 -1.46 -0.33 0.00 0.71 0.00 0.00 52.55 51.57 2eei s ASP 54 Cb -0.04 -1.03 -0.12 0.00 1.01 0.00 0.00 42.92 42.73 2eei s ASP 54 CO 0.23 -0.34 1.75 1.57 0.21 0.00 0.00 175.17 178.59 2eei n HIS 55 N 4.73 2.40 -2.21 4.23 -0.00 -1.26 -3.59 115.22 119.52 2eei n HIS 55 Ca -0.05 0.06 -0.40 0.00 -0.00 0.00 0.00 57.72 57.33 2eei n HIS 55 Cb 0.43 -2.64 -0.03 0.00 -0.00 0.00 0.00 29.99 27.76 2eei n HIS 55 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2eei s LEU 56 N 2.41 3.27 0.28 0.27 1.02 -1.16 -3.93 118.68 120.84 2eei s LEU 56 Ca 0.84 0.16 0.02 0.00 0.02 0.00 0.00 54.13 55.17 2eei s LEU 56 Cb -0.62 -2.62 0.41 0.00 0.02 0.00 0.00 46.19 43.38 2eei s LEU 56 CO 0.42 -2.15 1.72 0.40 0.02 0.00 0.00 176.35 176.76 2eei h ILE 57 N 6.61 1.26 -1.52 -0.59 1.08 0.67 -3.27 117.51 121.75 2eei h ILE 57 Ca -0.27 -1.26 0.21 0.00 -0.39 0.00 0.00 64.86 63.15 2eei h ILE 57 Cb 1.13 1.34 -0.20 0.00 -3.07 0.00 0.00 36.82 36.01 2eei h ILE 57 CO 1.22 0.40 0.75 -1.83 -0.69 0.00 0.00 178.15 178.01 2eei s GLU 58 N -4.51 0.38 -0.02 2.37 -1.05 -1.11 -2.04 118.70 112.71 2eei s GLU 58 Ca -0.07 -0.07 0.03 0.00 -0.15 0.00 0.00 54.97 54.71 2eei s GLU 58 Cb 0.14 0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2eei s GLU 58 CO 0.79 -0.15 -0.12 0.08 0.95 0.00 0.00 175.26 176.81 2eei s VAL 59 N -2.07 1.02 -0.81 1.83 1.01 -0.80 -0.80 120.40 119.79 2eei s VAL 59 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2eei s VAL 59 Cb -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2eei s VAL 59 CO -0.05 0.30 0.00 -3.20 0.00 0.00 0.00 175.10 172.15 2eei n ASN 60 N 3.04 -2.92 -1.48 3.32 2.85 0.17 -1.90 115.26 118.35 2eei n ASN 60 Ca -0.16 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2eei n ASN 60 Cb 0.54 -2.60 0.00 0.00 1.24 0.00 0.00 39.78 38.96 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 -0.58 0.92 3.36 8.20 0.00 -1.26 -4.96 105.19 110.87 2eei n GLY 61 Ca -0.10 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.99 0.49 -0.26 1.61 2.02 -0.80 -4.94 118.70 113.84 2eei s GLU 62 Ca 0.00 1.06 -0.35 0.00 0.02 0.00 0.00 54.97 55.70 2eei s GLU 62 Cb 0.00 0.62 -0.11 0.00 0.10 0.00 0.00 34.13 34.74 2eei s GLU 62 CO 0.00 -0.35 2.06 0.09 0.02 0.00 0.00 175.26 177.08 2eei n ASN 63 N 5.38 2.65 -0.06 -0.19 4.13 -1.26 -1.90 115.26 124.01 2eei n ASN 63 Ca -0.07 0.61 0.06 0.00 1.68 0.00 0.00 54.58 56.86 2eei n ASN 63 Cb 0.51 -1.31 0.08 0.00 -1.54 0.00 0.00 39.78 37.51 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 6.43 1.45 -0.29 2.41 0.24 -0.87 -4.79 118.33 122.92 2eei n VAL 64 Ca 0.33 -1.67 0.09 0.00 -2.04 0.00 0.00 64.34 61.05 2eei n VAL 64 Cb 0.26 0.09 0.21 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 0.00 0.08 -1.34 7.34 5.08 -1.60 -1.06 114.58 123.08 2eei h GLU 65 Ca 0.00 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2eei h GLU 65 Cb 0.83 -0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.64 2eei h GLU 65 CO 0.00 0.05 -0.65 -0.40 -1.00 0.00 0.00 179.01 177.01 2eei n ASP 66 N -5.39 4.93 -4.89 1.42 5.75 -1.26 -4.00 116.55 113.12 2eei n ASP 66 Ca 0.17 -3.73 -0.21 0.00 -0.01 0.00 0.00 54.79 51.01 2eei n ASP 66 Cb 0.58 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 2eei n ASP 66 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2eei s ALA 67 N -3.58 3.90 0.17 2.12 0.00 -0.40 -4.93 121.76 119.04 2eei s ALA 67 Ca 0.49 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 50.87 2eei s ALA 67 Cb 0.41 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 2eei s ALA 67 CO -0.14 0.07 0.43 -1.54 0.00 0.00 0.00 175.76 174.58 2eei s SER 68 N -4.01 6.53 0.46 0.00 1.04 -1.26 -4.29 113.70 112.17 2eei s SER 68 Ca 0.40 0.69 0.29 0.00 0.48 0.00 0.00 55.95 57.80 2eei s SER 68 Cb -0.07 -2.13 1.36 0.00 0.10 0.00 0.00 66.02 65.28 2eei s SER 68 CO 0.28 0.01 1.72 -0.74 0.98 0.00 0.00 173.24 175.48 2eei h HIS 69 N 2.71 0.41 -0.33 5.02 2.76 -1.99 0.80 115.15 124.52 2eei h HIS 69 Ca -0.46 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 57.59 2eei h HIS 69 Cb 1.17 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 2eei h HIS 69 CO 0.61 -0.04 -0.34 0.93 -1.30 0.00 0.00 177.93 177.79 2eei h GLU 70 N 0.17 0.75 -0.51 5.26 5.08 -1.98 0.13 114.58 123.48 2eei h GLU 70 Ca 0.68 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 58.58 2eei h GLU 70 Cb 2.20 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 2eei h GLU 70 CO -0.24 0.98 -0.08 0.93 -1.00 0.00 0.00 179.01 179.60 2eei h GLU 71 N 0.63 0.92 0.04 2.33 4.39 0.22 -2.87 114.58 120.24 2eei h GLU 71 Ca 0.06 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.45 2eei h GLU 71 Cb 0.88 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2eei h GLU 71 CO 0.08 0.96 -0.02 0.28 -1.16 0.00 0.00 179.01 179.15 2eei h VAL 72 N 0.83 0.00 -0.83 3.13 2.07 -1.25 -3.21 116.25 116.99 2eei h VAL 72 Ca 0.14 -0.66 0.29 0.00 0.82 0.00 0.00 66.70 67.29 2eei h VAL 72 Cb 0.60 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.22 2eei h VAL 72 CO 0.04 0.00 0.24 0.55 0.02 0.00 0.00 177.57 178.42 2eei n VAL 73 N -3.97 -0.35 -0.21 2.57 3.14 0.43 0.23 118.33 120.16 2eei n VAL 73 Ca -0.01 1.75 -0.08 0.00 -2.96 0.00 0.00 64.34 63.05 2eei n VAL 73 Cb 0.02 -2.71 0.03 0.00 -1.06 0.00 0.00 33.84 30.12 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 0.91 -0.07 1.45 5.08 -1.63 -2.09 114.58 118.23 2eei h GLU 74 Ca 0.61 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2eei h GLU 74 Cb 1.47 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2eei h GLU 74 CO -0.71 0.79 -0.18 0.87 -1.00 0.00 0.00 179.01 178.77 2eei h LYS 75 N 0.83 0.11 0.25 2.33 1.57 0.28 -1.43 116.57 120.51 2eei h LYS 75 Ca 0.20 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2eei h LYS 75 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2eei h LYS 75 CO -0.01 0.30 -0.12 0.28 -0.57 0.00 0.00 179.45 179.33 2eei h VAL 76 N 0.10 0.00 -0.91 0.50 2.07 -0.71 -1.71 116.25 115.60 2eei h VAL 76 Ca 0.02 -0.26 0.17 0.00 0.82 0.00 0.00 66.70 67.45 2eei h VAL 76 Cb 0.39 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 2eei h VAL 76 CO 0.03 0.00 0.49 0.07 0.02 0.00 0.00 177.57 178.18 2eei h LYS 77 N -0.60 0.63 -0.40 1.57 2.10 -1.42 0.14 116.57 118.59 2eei h LYS 77 Ca -0.03 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.52 2eei h LYS 77 Cb 0.26 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 2eei h LYS 77 CO 0.06 0.42 0.01 0.87 -2.00 0.00 0.00 179.45 178.80 2eei h LYS 78 N 0.65 0.62 -0.73 0.07 1.57 -1.34 -3.04 116.57 114.37 2eei h LYS 78 Ca 0.51 -0.14 0.24 0.00 -1.87 0.00 0.00 60.65 59.39 2eei h LYS 78 Cb 0.77 -0.09 -0.13 0.00 0.08 0.00 0.00 32.23 32.87 2eei h LYS 78 CO -0.39 0.64 0.17 -1.13 -0.57 0.00 0.00 179.45 178.18 2eei n SER 79 N -4.26 0.06 0.00 0.86 3.41 0.48 -4.82 113.62 109.34 2eei n SER 79 Ca 0.02 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 2eei n SER 79 Cb 0.26 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2eei n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eei n GLY 80 N -1.29 2.13 0.48 5.00 0.00 -1.15 -4.54 105.19 105.83 2eei n GLY 80 Ca 0.22 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.98 1.80 -4.46 1.61 7.64 -1.26 -5.00 113.62 115.93 2eei n SER 81 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 2eei n SER 81 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.83 1.66 0.30 1.43 0.52 -1.26 -0.11 118.95 119.66 2eei s ARG 82 Ca 0.00 -1.48 0.03 0.00 -0.52 0.00 0.00 55.73 53.75 2eei s ARG 82 Cb 0.00 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 2eei s ARG 82 CO 0.00 0.40 0.09 0.08 0.02 0.00 0.00 175.30 175.89 2eei s VAL 83 N -1.75 0.82 -0.30 3.52 1.01 0.37 -4.77 120.40 119.31 2eei s VAL 83 Ca 0.22 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.19 2eei s VAL 83 Cb -0.08 -2.68 0.10 0.00 0.00 0.00 0.00 36.38 33.72 2eei s VAL 83 CO 0.12 0.00 0.10 -0.32 0.00 0.00 0.00 175.10 175.00 2eei s MET 84 N -3.94 0.57 -0.22 2.72 1.75 -1.26 -0.90 119.30 118.03 2eei s MET 84 Ca 0.36 -0.88 -0.10 0.00 -1.25 0.00 0.00 55.69 53.83 2eei s MET 84 Cb 0.08 -1.78 -0.05 0.00 2.84 0.00 0.00 34.83 35.92 2eei s MET 84 CO 0.15 -0.97 0.13 -0.06 -0.65 0.00 0.00 175.02 173.62 2eei s PHE 85 N 1.76 3.32 -0.34 4.11 0.08 0.74 0.44 117.98 128.10 2eei s PHE 85 Ca 0.09 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.28 2eei s PHE 85 Cb -0.17 -2.20 0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2eei s PHE 85 CO -0.27 0.12 0.10 -1.17 -0.10 0.00 0.00 175.22 173.90 2eei s LEU 86 N 0.76 4.35 0.35 -0.37 2.96 0.02 0.49 118.68 127.24 2eei s LEU 86 Ca 0.07 -1.28 0.04 0.00 -0.22 0.00 0.00 54.13 52.73 2eei s LEU 86 Cb -0.13 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 2eei s LEU 86 CO 0.02 -0.34 0.08 -0.76 -1.32 0.00 0.00 176.35 174.02 2eei s LEU 87 N 1.34 2.12 0.20 -0.68 1.02 -1.17 0.13 118.68 121.64 2eei s LEU 87 Ca -0.01 -1.47 0.09 0.00 0.02 0.00 0.00 54.13 52.75 2eei s LEU 87 Cb -0.20 -0.32 -0.04 0.00 0.02 0.00 0.00 46.19 45.65 2eei s LEU 87 CO 0.01 -0.71 -0.05 -0.69 0.02 0.00 0.00 176.35 174.94 2eei s VAL 88 N -3.27 3.38 0.15 -1.59 1.01 -1.25 -1.80 120.40 117.03 2eei s VAL 88 Ca 0.32 -1.67 -0.31 0.00 0.00 0.00 0.00 61.98 60.31 2eei s VAL 88 Cb 0.07 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 2eei s VAL 88 CO 0.15 -0.18 1.67 1.51 0.00 0.00 0.00 175.10 178.25 2eei s ASP 89 N -3.08 6.51 0.55 3.32 1.47 -1.26 -4.63 116.67 119.54 2eei s ASP 89 Ca 0.27 2.68 0.30 0.00 1.18 0.00 0.00 52.55 56.98 2eei s ASP 89 Cb -0.08 -2.58 1.47 0.00 -0.34 0.00 0.00 42.92 41.38 2eei s ASP 89 CO 0.17 -0.91 1.90 0.07 0.68 0.00 0.00 175.17 177.09 2eei h LYS 90 N 7.43 0.00 0.00 2.11 2.10 -1.91 0.58 116.57 126.88 2eei h LYS 90 Ca -0.43 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.16 2eei h LYS 90 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2eei h LYS 90 CO 0.93 0.00 -0.26 1.05 -2.00 0.00 0.00 179.45 179.18 2eei h GLU 91 N 0.00 0.00 0.00 0.07 4.11 -1.92 -2.61 114.58 114.23 2eei h GLU 91 Ca 0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.74 2eei h GLU 91 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2eei h GLU 91 CO -0.00 0.26 -1.28 2.41 0.07 0.00 0.00 179.01 180.46 2eei n THR 92 N -3.88 0.76 -0.47 -1.06 -1.04 0.19 -4.17 114.28 104.62 2eei n THR 92 Ca -0.02 -0.60 -0.03 0.00 -2.04 0.00 0.00 64.05 61.36 2eei n THR 92 Cb 0.34 -0.43 0.01 0.00 -1.82 0.00 0.00 70.33 68.43 2eei n THR 92 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2eei n ASP 93 N -2.70 5.37 -3.65 8.00 2.03 -0.68 -4.79 116.55 120.13 2eei n ASP 93 Ca -0.04 -2.51 -0.25 0.00 0.52 0.00 0.00 54.79 52.51 2eei n ASP 93 Cb 0.66 -1.07 -0.06 0.00 -0.72 0.00 0.00 41.12 39.93 2eei n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2eei n LYS 94 N 1.19 -0.89 -2.50 -0.67 5.02 -1.26 -4.74 118.16 114.31 2eei n LYS 94 Ca 0.06 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 56.03 2eei n LYS 94 Cb 0.52 -2.77 -0.03 0.00 -0.02 0.00 0.00 35.03 32.74 2eei n LYS 94 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2eei s ARG 95 N -5.63 3.48 0.24 1.97 6.06 -1.16 -4.97 118.95 118.95 2eei s ARG 95 Ca 0.26 -1.06 -0.31 0.00 -2.50 0.00 0.00 55.73 52.12 2eei s ARG 95 Cb -0.15 -5.33 -0.14 0.00 0.06 0.00 0.00 34.95 29.39 2eei s ARG 95 CO 0.68 -2.35 1.32 0.72 -2.50 0.00 0.00 175.30 173.18 2eei n HIS 96 N 9.46 1.94 -4.06 5.12 8.25 -1.26 -4.93 115.22 129.73 2eei n HIS 96 Ca 0.34 0.51 -0.35 0.00 -0.26 0.00 0.00 57.72 57.97 2eei n HIS 96 Cb 0.50 -2.41 -0.11 0.00 1.12 0.00 0.00 29.99 29.09 2eei n HIS 96 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2eei s VAL 97 N -0.23 4.31 -0.13 1.59 -7.23 -1.26 -5.10 120.40 112.35 2eei s VAL 97 Ca 0.67 -0.19 -0.01 0.00 -1.81 0.00 0.00 61.98 60.64 2eei s VAL 97 Cb -0.69 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.28 2eei s VAL 97 CO 0.52 0.44 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.95 2eei s GLU 98 N 0.76 3.41 -0.06 4.82 2.12 -1.26 -5.10 118.70 123.38 2eei s GLU 98 Ca 0.02 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.72 2eei s GLU 98 Cb -0.14 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.56 2eei s GLU 98 CO 0.02 0.28 -0.01 -0.65 -0.54 0.00 0.00 175.26 174.36 2eei s GLN 99 N 0.22 0.63 -0.01 4.30 -0.21 -1.26 -5.14 119.66 118.19 2eei s GLN 99 Ca -0.06 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.39 2eei s GLN 99 Cb -0.15 -0.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.91 2eei s GLN 99 CO 0.04 -0.25 0.03 -1.59 -2.12 0.00 0.00 175.29 171.40 2eei s LYS 100 N 1.72 2.89 0.49 2.91 -2.85 -1.26 -5.10 119.74 118.54 2eei s LYS 100 Ca 0.01 -0.55 -0.22 0.00 -1.00 0.00 0.00 55.97 54.21 2eei s LYS 100 Cb -0.13 -2.74 -0.07 0.00 -2.06 0.00 0.00 37.83 32.83 2eei s LYS 100 CO -0.04 0.64 1.16 -1.54 0.10 0.00 0.00 175.35 175.66 2eei s SER 101 N -1.55 5.98 0.01 0.03 1.04 -1.26 -5.05 113.70 112.90 2eei s SER 101 Ca 0.20 2.27 0.01 0.00 0.48 0.00 0.00 55.95 58.90 2eei s SER 101 Cb -0.12 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2eei s SER 101 CO 0.11 -1.04 -0.03 -0.83 0.98 0.00 0.00 173.24 172.42 2eei s GLY 102 N -1.50 0.20 0.00 7.32 0.00 -1.26 -5.01 107.32 107.07 2eei s GLY 102 Ca 0.67 -0.35 0.11 0.00 0.00 0.00 0.00 44.72 45.16 2eei s GLY 102 CO 0.32 -0.37 1.11 -1.55 0.00 0.00 0.00 173.10 172.61 2eei n PRO 103 N 2.34 0.49 -1.09 2.90 -0.04 -1.26 -4.84 135.00 133.50 2eei n PRO 103 Ca -0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 2eei n PRO 103 Cb 0.57 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2eei n PRO 103 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2eei n SER 104 N -0.86 0.21 -2.40 3.54 2.88 -1.26 -4.75 113.62 110.97 2eei n SER 104 Ca 0.09 0.13 -0.31 0.00 -1.33 0.00 0.00 58.87 57.45 2eei n SER 104 Cb 0.04 -0.67 0.03 0.00 -0.75 0.00 0.00 64.21 62.86 2eei n SER 104 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2eei n SER 105 N 7.62 6.09 0.00 -3.46 7.64 -1.26 -5.29 113.62 124.96 2eei n SER 105 Ca 0.48 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.59 2eei n SER 105 Cb 0.02 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 2eei n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64