#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eej s SER 2 N 0.00 0.14 0.05 1.61 0.01 -1.26 -5.13 113.70 109.12 2eej s SER 2 Ca 0.00 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 56.13 2eej s SER 2 Cb 0.00 0.36 -0.07 0.00 0.21 0.00 0.00 66.02 66.52 2eej s SER 2 CO 0.00 -0.78 1.46 -0.94 0.41 0.00 0.00 173.24 173.39 2eej s SER 3 N -2.93 6.78 0.00 2.44 1.04 -1.26 -4.58 113.70 115.20 2eej s SER 3 Ca 0.12 2.27 0.00 0.00 0.48 0.00 0.00 55.95 58.82 2eej s SER 3 Cb 0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2eej s SER 3 CO -0.05 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2eej n GLY 4 N 3.69 0.28 3.32 7.32 0.00 -1.26 -5.01 105.19 113.53 2eej n GLY 4 Ca 0.13 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.83 2eej n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eej n SER 5 N 0.00 -4.55 -4.75 1.61 2.88 -1.26 -4.94 113.62 102.60 2eej n SER 5 Ca 0.00 -0.51 -0.41 0.00 -1.33 0.00 0.00 58.87 56.62 2eej n SER 5 Cb 0.00 -4.63 -0.03 0.00 -0.75 0.00 0.00 64.21 58.81 2eej n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eej s SER 6 N -3.63 6.84 0.00 -3.46 0.15 -1.26 -4.55 113.70 107.80 2eej s SER 6 Ca 0.34 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.52 2eej s SER 6 Cb -0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2eej s SER 6 CO 0.66 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2eej n GLY 7 N 1.75 -0.83 3.71 9.45 0.00 -1.26 -5.14 105.19 112.88 2eej n GLY 7 Ca 0.04 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 2eej n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 8 N 0.00 1.19 -0.06 1.61 0.04 -1.26 -4.55 135.00 131.97 2eej s PRO 8 Ca 0.00 0.79 0.05 0.00 0.04 0.00 0.00 61.00 61.88 2eej s PRO 8 Cb 0.00 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 2eej s PRO 8 CO 0.00 -2.28 -0.22 -1.59 0.04 0.00 0.00 177.00 172.95 2eej s LYS 9 N -4.94 2.43 -0.25 4.56 -2.85 -0.48 -5.01 119.74 113.19 2eej s LYS 9 Ca 0.64 -0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 54.57 2eej s LYS 9 Cb -0.18 -2.00 -0.01 0.00 -2.06 0.00 0.00 37.83 33.58 2eej s LYS 9 CO 0.57 0.29 0.75 -1.17 0.10 0.00 0.00 175.35 175.89 2eej s LEU 10 N 0.04 4.07 0.13 2.77 1.98 -1.26 -3.44 118.68 122.96 2eej s LEU 10 Ca -0.07 0.88 0.09 0.00 -2.89 0.00 0.00 54.13 52.13 2eej s LEU 10 Cb -0.14 -3.06 -0.04 0.00 0.66 0.00 0.00 46.19 43.61 2eej s LEU 10 CO 0.04 -0.48 -0.22 0.00 -1.89 0.00 0.00 176.35 173.80 2eej s ARG 12 N -2.14 2.35 0.32 0.00 0.52 -1.26 -3.35 118.95 115.39 2eej s ARG 12 Ca 0.11 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.51 2eej s ARG 12 Cb -0.09 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 33.02 2eej s ARG 12 CO 0.05 -0.29 0.67 -0.51 0.02 0.00 0.00 175.30 175.25 2eej s LEU 13 N 1.42 4.01 -0.20 2.53 1.43 -0.78 -4.80 118.68 122.30 2eej s LEU 13 Ca 0.03 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 2eej s LEU 13 Cb -0.14 -3.87 0.06 0.00 0.03 0.00 0.00 46.19 42.27 2eej s LEU 13 CO -0.10 -0.23 0.01 0.00 0.23 0.00 0.00 176.35 176.26 2eej s ALA 14 N -2.08 1.24 -0.00 4.21 0.00 -1.26 -3.06 121.76 120.80 2eej s ALA 14 Ca 0.50 -0.85 -0.32 0.00 0.00 0.00 0.00 51.96 51.29 2eej s ALA 14 Cb -0.11 -1.23 -0.11 0.00 0.00 0.00 0.00 23.12 21.68 2eej s ALA 14 CO 0.25 -1.15 1.89 1.17 0.00 0.00 0.00 175.76 177.92 2eej n LYS 15 N 4.96 2.50 0.00 0.00 4.81 0.13 -4.69 118.16 125.87 2eej n LYS 15 Ca -0.10 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 2eej n LYS 15 Cb 0.46 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.71 2eej n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2eej n GLY 16 N 4.38 0.83 0.02 3.14 0.00 -1.26 -4.98 105.19 107.32 2eej n GLY 16 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 2eej n GLY 16 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2eej h GLU 17 N 0.00 -0.04 0.00 1.61 4.57 -2.03 -3.45 114.58 115.24 2eej h GLU 17 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2eej h GLU 17 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2eej h GLU 17 CO 0.00 -0.03 0.00 0.09 -1.18 0.00 0.00 179.01 177.89 2eej n ASN 18 N -2.31 0.00 -3.60 1.04 4.13 -1.26 -5.10 115.26 108.16 2eej n ASN 18 Ca -0.00 0.15 -0.09 0.00 1.68 0.00 0.00 54.58 56.32 2eej n ASN 18 Cb 0.02 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 37.76 2eej n ASN 18 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2eej s GLY 19 N -2.61 -0.39 0.01 7.41 0.00 -1.26 -5.07 107.32 105.41 2eej s GLY 19 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 44.72 44.73 2eej s GLY 19 CO 0.00 0.11 0.89 -1.72 0.00 0.00 0.00 173.10 172.38 2eej n TYR 20 N -0.39 0.49 -0.34 1.90 4.01 -1.26 -4.73 117.16 116.84 2eej n TYR 20 Ca -0.10 0.90 0.03 0.00 -0.16 0.00 0.00 57.90 58.57 2eej n TYR 20 Cb 0.62 -1.78 0.17 0.00 -0.31 0.00 0.00 39.34 38.04 2eej n TYR 20 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2eej h GLY 21 N 2.46 1.43 -1.07 2.72 0.00 -1.95 -3.43 103.07 103.24 2eej h GLY 21 Ca -0.42 -0.41 -0.48 0.00 0.00 0.00 0.00 47.33 46.01 2eej h GLY 21 CO 0.55 0.25 0.29 -0.11 0.00 0.00 0.00 176.54 177.52 2eej s PHE 22 N -6.03 2.55 0.16 5.60 -0.71 -1.26 -4.41 117.98 113.88 2eej s PHE 22 Ca -0.12 1.21 -0.04 0.00 -1.04 0.00 0.00 56.93 56.93 2eej s PHE 22 Cb 0.20 -3.15 -0.03 0.00 -1.21 0.00 0.00 43.02 38.83 2eej s PHE 22 CO 0.80 -2.11 0.16 -1.01 -1.34 0.00 0.00 175.22 171.72 2eej s HIS 23 N -3.04 0.76 0.11 3.49 3.76 0.24 -4.94 115.29 115.67 2eej s HIS 23 Ca 0.62 -1.10 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 2eej s HIS 23 Cb -0.16 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 2eej s HIS 23 CO 0.56 -0.63 0.12 -0.51 -0.85 0.00 0.00 174.74 173.42 2eej s LEU 24 N -3.05 3.88 -0.11 0.89 1.02 -1.26 -0.16 118.68 119.89 2eej s LEU 24 Ca 0.25 -0.02 -0.08 0.00 0.02 0.00 0.00 54.13 54.30 2eej s LEU 24 Cb 0.06 -2.52 0.04 0.00 0.02 0.00 0.00 46.19 43.78 2eej s LEU 24 CO 0.04 0.13 0.29 0.21 0.02 0.00 0.00 176.35 177.04 2eej s ASN 25 N -2.69 -0.32 -0.26 2.29 2.47 -1.05 -4.91 114.94 110.48 2eej s ASN 25 Ca 0.31 0.60 -0.29 0.00 0.42 0.00 0.00 52.86 53.90 2eej s ASN 25 Cb -0.11 0.55 0.01 0.00 -1.45 0.00 0.00 41.25 40.25 2eej s ASN 25 CO 0.23 -0.13 1.04 0.00 -3.72 0.00 0.00 177.10 174.52 2eej s ALA 26 N 0.67 3.63 -0.43 1.71 0.00 -1.26 -3.64 121.76 122.44 2eej s ALA 26 Ca -0.04 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 2eej s ALA 26 Cb -0.06 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.55 2eej s ALA 26 CO -0.04 -1.17 0.32 0.42 0.00 0.00 0.00 175.76 175.28 2eej s ILE 27 N 3.31 4.93 -0.31 0.00 1.01 -1.26 -5.03 121.20 123.86 2eej s ILE 27 Ca 0.44 -1.01 -0.35 0.00 0.00 0.00 0.00 60.65 59.73 2eej s ILE 27 Cb -0.14 -3.88 -0.11 0.00 0.01 0.00 0.00 42.46 38.34 2eej s ILE 27 CO 0.09 -0.45 2.14 0.54 0.00 0.00 0.00 174.94 177.26 2eej n ARG 28 N 5.10 1.27 0.00 2.79 5.12 -1.26 -2.98 116.66 126.71 2eej n ARG 28 Ca -0.12 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 2eej n ARG 28 Cb 0.45 -2.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.21 2eej n ARG 28 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2eej n GLY 29 N 6.14 2.27 3.56 -0.13 0.00 -1.26 -5.12 105.19 110.66 2eej n GLY 29 Ca 0.38 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2eej n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eej s LEU 30 N 0.00 3.00 1.25 0.99 1.43 -1.16 -5.13 118.68 119.06 2eej s LEU 30 Ca 0.00 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 2eej s LEU 30 Cb 0.00 -1.77 0.31 0.00 0.03 0.00 0.00 46.19 44.75 2eej s LEU 30 CO 0.00 0.23 1.11 -2.16 0.23 0.00 0.00 176.35 175.76 2eej s PRO 31 N -1.81 -1.57 2.22 1.29 0.04 -1.26 -4.67 135.00 129.24 2eej s PRO 31 Ca 0.19 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.04 2eej s PRO 31 Cb -0.11 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2eej s PRO 31 CO 0.10 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 173.63 2eej n GLY 32 N -0.92 -0.78 2.48 0.56 0.00 -0.72 -4.97 105.19 100.84 2eej n GLY 32 Ca 0.15 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 2eej n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eej n SER 33 N -0.97 2.36 -3.70 1.61 3.41 -1.26 -4.45 113.62 110.62 2eej n SER 33 Ca 0.00 -2.55 -0.14 0.00 -0.26 0.00 0.00 58.87 55.92 2eej n SER 33 Cb 0.00 0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2eej n SER 33 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2eej s PHE 34 N -2.40 -0.36 -0.08 7.33 0.40 -1.24 -3.95 117.98 117.68 2eej s PHE 34 Ca 0.05 0.72 -0.28 0.00 -0.60 0.00 0.00 56.93 56.81 2eej s PHE 34 Cb 0.00 0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.69 2eej s PHE 34 CO 0.04 -0.38 0.93 0.42 0.70 0.00 0.00 175.22 176.93 2eej s ILE 35 N -0.81 4.86 0.03 0.64 1.01 0.58 -2.52 121.20 124.99 2eej s ILE 35 Ca -0.09 1.91 -0.14 0.00 0.00 0.00 0.00 60.65 62.33 2eej s ILE 35 Cb -0.04 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.20 2eej s ILE 35 CO 0.04 0.09 0.30 -0.75 0.00 0.00 0.00 174.94 174.62 2eej s LYS 36 N 1.56 0.78 -0.79 2.79 2.20 0.78 -3.49 119.74 123.57 2eej s LYS 36 Ca 0.46 -0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 55.59 2eej s LYS 36 Cb -0.19 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2eej s LYS 36 CO 0.20 -0.24 0.68 0.39 -0.36 0.00 0.00 175.35 176.02 2eej n GLU 37 N 0.71 -4.54 -3.12 4.03 1.02 -1.26 -0.59 120.64 116.89 2eej n GLU 37 Ca -0.19 0.51 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 2eej n GLU 37 Cb 0.59 -4.54 -0.07 0.00 -0.02 0.00 0.00 31.44 27.40 2eej n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2eej s VAL 38 N -3.20 4.94 0.54 2.62 0.11 -1.26 -3.98 120.40 120.17 2eej s VAL 38 Ca 0.23 0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 59.93 2eej s VAL 38 Cb -0.10 -4.00 -0.06 0.00 -1.53 0.00 0.00 36.38 30.69 2eej s VAL 38 CO 0.44 -0.14 1.03 -1.58 -3.33 0.00 0.00 175.10 171.51 2eej s GLN 39 N 2.60 3.65 -0.28 1.54 0.74 -1.26 -4.95 119.66 121.69 2eej s GLN 39 Ca 0.25 1.16 -0.23 0.00 0.05 0.00 0.00 55.36 56.58 2eej s GLN 39 Cb -0.15 -2.08 -0.00 0.00 1.10 0.00 0.00 33.01 31.87 2eej s GLN 39 CO 0.12 -0.53 0.78 0.21 -0.55 0.00 0.00 175.29 175.32 2eej s LYS 40 N -3.86 4.04 0.00 1.67 2.47 -1.26 -3.59 119.74 119.20 2eej s LYS 40 Ca 0.63 0.68 0.00 0.00 -1.56 0.00 0.00 55.97 55.72 2eej s LYS 40 Cb -0.14 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.53 2eej s LYS 40 CO 0.31 -0.61 0.00 0.41 0.16 0.00 0.00 175.35 175.61 2eej n GLY 41 N 4.08 0.78 0.00 5.54 0.00 -1.26 -5.07 105.19 109.25 2eej n GLY 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2eej n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eej n GLY 42 N -0.96 -0.77 0.21 -0.02 0.00 -1.24 -4.75 105.19 97.66 2eej n GLY 42 Ca 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 2eej n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eej h PRO 43 N 0.00 0.43 0.02 1.61 0.13 -1.90 -1.52 132.00 130.78 2eej h PRO 43 Ca 0.00 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2eej h PRO 43 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2eej h PRO 43 CO 0.00 0.79 -0.01 0.00 -0.23 0.00 0.00 178.00 178.55 2eej h ALA 44 N 1.18 -0.03 -0.34 -0.56 0.00 -1.93 -2.72 119.26 114.86 2eej h ALA 44 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2eej h ALA 44 Cb 0.92 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2eej h ALA 44 CO 0.08 -0.25 0.15 0.22 0.00 0.00 0.00 179.25 179.45 2eej h ASP 45 N -0.56 0.46 -0.90 0.00 3.58 -1.72 -2.16 116.42 115.12 2eej h ASP 45 Ca -0.00 -0.15 0.12 0.00 0.42 0.00 0.00 57.03 57.41 2eej h ASP 45 Cb 0.54 -0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.40 2eej h ASP 45 CO 0.00 0.49 0.58 -0.07 -2.88 0.00 0.00 179.24 177.36 2eej h LEU 46 N 0.41 0.74 -1.27 2.28 3.38 -1.34 0.27 115.31 119.77 2eej h LEU 46 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2eej h LEU 46 Cb 0.17 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2eej h LEU 46 CO -0.01 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2eej h ALA 47 N 1.58 1.00 -0.11 1.53 0.00 -1.14 -3.46 119.26 118.65 2eej h ALA 47 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2eej h ALA 47 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2eej h ALA 47 CO -0.20 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2eej n GLY 48 N 0.10 1.32 3.52 0.00 0.00 0.94 -4.89 105.19 106.19 2eej n GLY 48 Ca 0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2eej n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eej n LEU 49 N -0.06 0.00 -4.02 0.99 4.77 -0.84 -5.03 117.00 112.81 2eej n LEU 49 Ca 0.00 -1.77 -0.10 0.00 -0.03 0.00 0.00 56.01 54.12 2eej n LEU 49 Cb 0.14 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 2eej n LEU 49 CO 0.00 -1.05 0.11 -1.83 -1.33 0.00 0.00 177.39 173.29 2eej s GLU 50 N -5.06 1.47 0.00 3.23 -1.05 -1.26 -4.78 118.70 111.25 2eej s GLU 50 Ca 0.62 -1.29 0.06 0.00 -0.15 0.00 0.00 54.97 54.21 2eej s GLU 50 Cb -0.03 0.44 0.34 0.00 -0.44 0.00 0.00 34.13 34.44 2eej s GLU 50 CO 0.42 -0.59 1.15 -0.40 0.95 0.00 0.00 175.26 176.79 2eej n ASP 51 N -0.35 0.00 0.00 0.83 5.75 -1.26 -2.68 116.55 118.84 2eej n ASP 51 Ca -0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 2eej n ASP 51 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2eej n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2eej n GLU 52 N -0.60 5.72 -1.96 0.11 1.02 -1.23 -4.47 120.64 119.24 2eej n GLU 52 Ca 0.04 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 2eej n GLU 52 Cb 0.02 -0.55 0.04 0.00 -0.02 0.00 0.00 31.44 30.93 2eej n GLU 52 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2eej s ASP 53 N -0.84 5.10 -0.01 1.62 1.01 -1.09 -4.78 116.67 117.68 2eej s ASP 53 Ca 0.00 2.45 0.06 0.00 0.71 0.00 0.00 52.55 55.77 2eej s ASP 53 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2eej s ASP 53 CO 0.00 -1.66 -0.20 0.68 0.21 0.00 0.00 175.17 174.20 2eej s VAL 54 N -1.54 1.60 -0.63 -1.27 -7.23 -1.26 -0.31 120.40 109.76 2eej s VAL 54 Ca 0.78 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 59.80 2eej s VAL 54 Cb -0.32 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.32 2eej s VAL 54 CO 0.35 0.44 1.13 -0.63 -0.31 0.00 0.00 175.10 176.07 2eej s ILE 55 N -0.50 4.06 0.00 -0.62 1.09 -1.25 -3.92 121.20 120.05 2eej s ILE 55 Ca 0.08 0.42 0.00 0.00 -1.10 0.00 0.00 60.65 60.05 2eej s ILE 55 Cb -0.08 -4.74 0.00 0.00 -1.06 0.00 0.00 42.46 36.58 2eej s ILE 55 CO -0.01 -1.47 0.00 -0.38 -0.10 0.00 0.00 174.94 172.99 2eej n ILE 56 N 6.36 0.00 -4.23 2.92 5.41 -0.38 -4.58 119.36 124.86 2eej n ILE 56 Ca 0.03 0.48 -0.31 0.00 1.00 0.00 0.00 62.75 63.96 2eej n ILE 56 Cb 0.48 -1.44 -0.09 0.00 -0.71 0.00 0.00 39.64 37.88 2eej n ILE 56 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2eej s GLU 57 N -0.96 2.44 -0.21 0.38 2.02 -1.25 -2.24 118.70 118.88 2eej s GLU 57 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 2eej s GLU 57 Cb 0.00 -2.47 0.06 0.00 0.10 0.00 0.00 34.13 31.82 2eej s GLU 57 CO 0.00 0.55 0.00 0.54 0.02 0.00 0.00 175.26 176.37 2eej s VAL 58 N -1.21 0.91 -1.23 2.63 0.11 -0.17 -2.21 120.40 119.23 2eej s VAL 58 Ca 0.22 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 2eej s VAL 58 Cb -0.11 -1.34 0.01 0.00 -1.53 0.00 0.00 36.38 33.41 2eej s VAL 58 CO 0.14 -0.18 0.87 0.59 -3.33 0.00 0.00 175.10 173.18 2eej n ASN 59 N 4.90 -5.71 -2.08 3.54 3.02 -1.02 -3.52 115.26 114.39 2eej n ASN 59 Ca -0.10 -0.40 -0.05 0.00 -0.03 0.00 0.00 54.58 54.00 2eej n ASN 59 Cb 0.46 -4.39 0.02 0.00 -0.61 0.00 0.00 39.78 35.26 2eej n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eej n GLY 60 N -1.68 0.20 3.59 7.41 0.00 -1.26 -5.07 105.19 108.37 2eej n GLY 60 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 2eej n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eej s VAL 61 N -3.13 -0.07 -0.17 1.61 0.11 -1.23 -5.13 120.40 112.38 2eej s VAL 61 Ca 0.15 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 2eej s VAL 61 Cb -0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 2eej s VAL 61 CO 0.25 0.00 1.31 0.21 -3.33 0.00 0.00 175.10 173.54 2eej s ASN 62 N 1.46 6.89 -0.01 3.54 3.84 -1.26 -1.00 114.94 128.39 2eej s ASN 62 Ca -0.08 1.70 0.01 0.00 0.21 0.00 0.00 52.86 54.71 2eej s ASN 62 Cb -0.04 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.15 2eej s ASN 62 CO -0.14 -0.81 0.98 1.33 -2.79 0.00 0.00 177.10 175.66 2eej n VAL 63 N 5.47 0.99 -0.30 -5.21 0.24 -0.95 -4.75 118.33 113.82 2eej n VAL 63 Ca 0.14 -1.01 0.10 0.00 -2.04 0.00 0.00 64.34 61.53 2eej n VAL 63 Cb 0.45 0.48 0.26 0.00 -1.47 0.00 0.00 33.84 33.56 2eej n VAL 63 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2eej h LEU 64 N 0.00 0.43 -0.99 1.34 3.38 -1.80 0.30 115.31 117.97 2eej h LEU 64 Ca 0.00 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2eej h LEU 64 Cb 0.57 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2eej h LEU 64 CO 0.00 0.12 -0.50 -0.78 0.09 0.00 0.00 178.44 177.37 2eej h ASP 65 N 0.52 0.01 -4.06 -0.43 1.82 -1.93 -1.92 116.42 110.43 2eej h ASP 65 Ca 0.50 -0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.60 2eej h ASP 65 Cb 0.83 -0.00 0.12 0.00 0.68 0.00 0.00 39.33 40.96 2eej h ASP 65 CO -0.44 0.51 0.54 -1.61 -1.61 0.00 0.00 179.24 176.63 2eej s GLU 66 N -3.89 3.17 0.00 0.28 0.41 0.10 -4.64 118.70 114.14 2eej s GLU 66 Ca -0.02 2.03 0.00 0.00 -0.41 0.00 0.00 54.97 56.57 2eej s GLU 66 Cb 0.13 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 30.31 2eej s GLU 66 CO 0.75 -1.10 0.00 -0.35 -0.49 0.00 0.00 175.26 174.07 2eej n PRO 67 N -1.13 -0.94 0.08 0.39 -0.04 -1.26 -3.33 135.00 128.77 2eej n PRO 67 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 2eej n PRO 67 Cb 0.47 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.79 2eej n PRO 67 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2eej h TYR 68 N -1.47 0.44 0.00 0.54 5.03 -1.96 -2.78 116.97 116.78 2eej h TYR 68 Ca 0.00 -0.32 -0.05 0.00 2.58 0.00 0.00 58.73 60.94 2eej h TYR 68 Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 2eej h TYR 68 CO 0.00 1.30 -0.24 0.93 -1.32 0.00 0.00 178.16 178.84 2eej h GLU 69 N 0.07 0.00 0.00 1.82 5.08 -1.96 -1.95 114.58 117.63 2eej h GLU 69 Ca -0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2eej h GLU 69 Cb 1.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 2eej h GLU 69 CO 0.18 0.24 -0.25 0.87 -1.00 0.00 0.00 179.01 179.04 2eej h LYS 70 N 0.00 0.00 -0.28 2.33 1.79 -1.92 -3.19 116.57 115.29 2eej h LYS 70 Ca -0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2eej h LYS 70 Cb 0.65 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.24 2eej h LYS 70 CO 0.03 0.30 -0.10 -0.39 -1.08 0.00 0.00 179.45 178.21 2eej h VAL 71 N -1.00 0.65 -0.29 0.50 -1.51 -1.54 -2.28 116.25 110.78 2eej h VAL 71 Ca -0.04 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.50 2eej h VAL 71 Cb 0.45 0.65 -0.06 0.00 -2.13 0.00 0.00 31.29 30.20 2eej h VAL 71 CO -0.02 0.00 -0.13 1.62 -1.23 0.00 0.00 177.57 177.81 2eej h VAL 72 N -0.04 0.58 -0.90 7.19 3.04 -1.53 -0.01 116.25 124.57 2eej h VAL 72 Ca 0.14 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 66.02 2eej h VAL 72 Cb 0.26 0.58 -0.07 0.00 -2.01 0.00 0.00 31.29 30.05 2eej h VAL 72 CO -0.32 0.00 0.59 0.44 -1.01 0.00 0.00 177.57 177.27 2eej h ASP 73 N -0.09 0.48 0.21 3.17 5.19 -1.41 0.30 116.42 124.27 2eej h ASP 73 Ca 0.15 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 2eej h ASP 73 Cb 0.32 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2eej h ASP 73 CO -0.35 0.20 -0.10 0.03 -3.12 0.00 0.00 179.24 175.90 2eej h ARG 74 N 0.48 -0.27 -0.69 3.56 3.08 -0.57 0.17 114.38 120.14 2eej h ARG 74 Ca 0.47 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.62 2eej h ARG 74 Cb 1.07 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 2eej h ARG 74 CO -0.20 0.10 0.46 0.82 -1.07 0.00 0.00 179.97 180.08 2eej h ILE 75 N -0.91 0.98 0.06 2.04 2.04 -0.50 0.44 117.51 121.65 2eej h ILE 75 Ca -0.03 -0.22 -0.15 0.00 1.00 0.00 0.00 64.86 65.46 2eej h ILE 75 Cb 0.50 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2eej h ILE 75 CO 0.05 0.12 -0.60 1.56 0.00 0.00 0.00 178.15 179.27 2eej h GLN 76 N 0.65 0.30 0.00 2.37 1.08 -0.48 -3.28 115.11 115.75 2eej h GLN 76 Ca 0.31 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 2eej h GLN 76 Cb 0.36 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2eej h GLN 76 CO -0.10 1.13 -0.28 1.03 -0.95 0.00 0.00 178.83 179.66 2eej h SER 77 N -0.33 0.00 -0.81 1.46 0.87 -0.18 -3.24 113.55 111.33 2eej h SER 77 Ca -0.09 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2eej h SER 77 Cb 1.39 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.25 2eej h SER 77 CO 0.12 0.28 -0.47 -1.54 -0.53 0.00 0.00 176.83 174.68 2eej n SER 78 N -4.02 -0.85 0.00 6.23 3.41 0.15 -4.93 113.62 113.61 2eej n SER 78 Ca -0.02 1.44 0.00 0.00 -0.26 0.00 0.00 58.87 60.03 2eej n SER 78 Cb 0.34 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2eej n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 79 N -1.20 0.47 0.07 5.00 0.00 -1.22 -4.90 105.19 103.40 2eej n GLY 79 Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2eej n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2eej h LYS 80 N 0.00 0.00 -5.58 1.61 2.10 -1.91 -3.46 116.57 109.33 2eej h LYS 80 Ca 0.00 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.98 2eej h LYS 80 Cb 0.00 0.00 -0.28 0.00 -0.90 0.00 0.00 32.23 31.05 2eej h LYS 80 CO 0.00 0.85 -0.80 0.54 -2.00 0.00 0.00 179.45 178.04 2eej s ASN 81 N -6.16 3.76 0.09 7.07 2.20 -1.26 0.21 114.94 120.85 2eej s ASN 81 Ca -0.17 -0.36 0.07 0.00 -0.94 0.00 0.00 52.86 51.46 2eej s ASN 81 Cb -0.02 -1.36 -0.03 0.00 -2.00 0.00 0.00 41.25 37.84 2eej s ASN 81 CO 0.58 0.20 -0.18 0.54 -2.94 0.00 0.00 177.10 175.30 2eej s VAL 82 N 0.10 1.45 -0.27 3.54 0.11 -1.17 -4.96 120.40 119.20 2eej s VAL 82 Ca -0.08 -1.44 -0.04 0.00 -2.93 0.00 0.00 61.98 57.49 2eej s VAL 82 Cb -0.15 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2eej s VAL 82 CO 0.05 -0.13 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.80 2eej s THR 83 N -1.22 3.31 0.20 5.04 2.01 -1.26 -1.87 115.64 121.85 2eej s THR 83 Ca 0.03 -0.91 0.10 0.00 0.31 0.00 0.00 61.69 61.22 2eej s THR 83 Cb -0.10 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 2eej s THR 83 CO 0.03 0.14 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.18 2eej s LEU 84 N 1.39 2.73 -0.38 4.42 1.43 -1.21 -2.44 118.68 124.61 2eej s LEU 84 Ca 0.01 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2eej s LEU 84 Cb -0.17 -1.41 0.10 0.00 0.03 0.00 0.00 46.19 44.74 2eej s LEU 84 CO -0.02 0.10 0.15 -0.22 0.23 0.00 0.00 176.35 176.59 2eej s LEU 85 N -2.88 4.94 0.01 1.79 0.20 -0.94 -3.47 118.68 118.33 2eej s LEU 85 Ca 0.24 -1.89 -0.01 0.00 0.69 0.00 0.00 54.13 53.16 2eej s LEU 85 Cb -0.08 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 2eej s LEU 85 CO 0.13 -0.47 0.14 0.68 -0.29 0.00 0.00 176.35 176.54 2eej s VAL 86 N 1.14 5.08 0.25 1.68 -7.23 -1.22 -1.24 120.40 118.85 2eej s VAL 86 Ca 0.06 -0.34 0.07 0.00 -1.81 0.00 0.00 61.98 59.96 2eej s VAL 86 Cb -0.22 -3.38 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 2eej s VAL 86 CO -0.04 0.29 0.14 0.00 -0.31 0.00 0.00 175.10 175.18 2eej s GLY 88 N -3.72 2.63 -0.02 0.00 0.00 -1.26 -4.58 107.32 100.37 2eej s GLY 88 Ca 0.32 0.49 -0.00 0.00 0.00 0.00 0.00 44.72 45.53 2eej s GLY 88 CO 0.23 0.87 0.03 0.54 0.00 0.00 0.00 173.10 174.78 2eej s LYS 89 N -2.54 0.01 0.02 2.90 1.02 -1.26 -5.11 119.74 114.78 2eej s LYS 89 Ca 0.56 0.20 0.04 0.00 0.02 0.00 0.00 55.97 56.79 2eej s LYS 89 Cb -0.15 -0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 36.80 2eej s LYS 89 CO 0.20 -0.19 -0.09 0.21 -0.92 0.00 0.00 175.35 174.55 2eej s LYS 90 N 1.24 2.42 0.00 1.68 2.47 -1.26 -5.01 119.74 121.28 2eej s LYS 90 Ca -0.07 -0.80 0.00 0.00 -1.56 0.00 0.00 55.97 53.54 2eej s LYS 90 Cb -0.13 -2.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.82 2eej s LYS 90 CO -0.03 0.58 0.00 -1.13 0.16 0.00 0.00 175.35 174.93 2eej n SER 91 N 1.50 2.63 0.00 1.43 3.41 -1.26 -5.16 113.62 116.17 2eej n SER 91 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2eej n SER 91 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2eej n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eej n GLY 92 N 2.95 0.56 3.69 5.00 0.00 -1.26 -5.03 105.19 111.10 2eej n GLY 92 Ca 0.00 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 2eej n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eej s PRO 93 N -0.03 4.28 0.17 1.61 0.04 -1.26 -5.03 135.00 134.78 2eej s PRO 93 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.14 2eej s PRO 93 Cb 0.00 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2eej s PRO 93 CO 0.00 -0.58 -0.01 -1.12 0.04 0.00 0.00 177.00 175.33 2eej s SER 94 N 1.86 4.71 0.51 6.66 0.01 -1.26 -5.10 113.70 121.09 2eej s SER 94 Ca 0.65 -0.41 -0.22 0.00 1.31 0.00 0.00 55.95 57.29 2eej s SER 94 Cb -0.33 -0.99 -0.06 0.00 0.21 0.00 0.00 66.02 64.85 2eej s SER 94 CO 0.28 0.10 1.23 -0.44 0.41 0.00 0.00 173.24 174.81 2eej s SER 95 N -2.89 5.74 0.00 2.44 0.01 -1.26 -5.31 113.70 112.43 2eej s SER 95 Ca 0.27 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.98 2eej s SER 95 Cb -0.09 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2eej s SER 95 CO 0.18 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.22