#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s SER 2 N 0.00 7.29 0.00 0.00 0.15 -1.26 -4.97 113.70 114.91 2occ s SER 2 Ca 0.00 2.04 0.00 0.00 0.70 0.00 0.00 55.95 58.69 2occ s SER 2 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2occ s SER 2 CO 0.00 -0.21 0.74 0.61 1.20 0.00 0.00 173.24 175.58 2occ n GLY 3 N 2.13 0.91 7.00 9.45 0.00 -1.26 -5.13 105.19 118.29 2occ n GLY 3 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2occ n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2occ n GLY 4 N -0.28 0.71 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.36 2occ n GLY 4 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2occ n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2occ n GLY 5 N 0.00 1.79 3.75 -0.02 0.00 -1.26 -5.10 105.19 104.35 2occ n GLY 5 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2occ n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2occ s VAL 6 N -2.11 5.28 0.87 1.61 -7.23 -1.26 -5.08 120.40 112.49 2occ s VAL 6 Ca 0.00 0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 2occ s VAL 6 Cb 0.00 -3.37 0.10 0.00 0.56 0.00 0.00 36.38 33.66 2occ s VAL 6 CO 0.00 0.49 1.03 -2.65 -0.31 0.00 0.00 175.10 173.67 2occ n PRO 7 N 3.09 -0.14 -4.02 4.82 -0.02 -1.26 -5.05 135.00 132.43 2occ n PRO 7 Ca -0.17 0.03 -0.22 0.00 -2.02 0.00 0.00 63.50 61.12 2occ n PRO 7 Cb 0.53 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 2occ n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2occ s THR 8 N -2.35 3.40 0.15 3.45 -4.23 -1.26 -4.99 115.64 109.81 2occ s THR 8 Ca 0.68 -1.57 -0.15 0.00 -1.18 0.00 0.00 61.69 59.48 2occ s THR 8 Cb -0.26 -3.09 0.03 0.00 1.34 0.00 0.00 72.50 70.52 2occ s THR 8 CO 0.56 -0.22 1.73 0.44 -0.54 0.00 0.00 174.62 176.60 2occ h ASP 9 N 1.47 0.61 -0.97 3.99 3.32 -1.96 -1.10 116.42 121.77 2occ h ASP 9 Ca -0.45 -0.13 0.25 0.00 0.02 0.00 0.00 57.03 56.72 2occ h ASP 9 Cb 1.25 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 2occ h ASP 9 CO 0.61 0.57 0.66 -0.08 -1.72 0.00 0.00 179.24 179.28 2occ h GLU 10 N 0.61 0.26 0.00 3.56 4.57 -1.96 0.16 114.58 121.78 2occ h GLU 10 Ca 0.16 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2occ h GLU 10 Cb 0.12 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2occ h GLU 10 CO -0.02 0.17 -1.77 -0.85 -1.18 0.00 0.00 179.01 175.36 2occ n GLU 11 N -4.45 0.62 0.00 1.92 0.28 -0.94 -4.72 120.64 113.35 2occ n GLU 11 Ca 0.22 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2occ n GLU 11 Cb 0.87 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 32.17 2occ n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2occ n GLN 12 N -2.29 2.12 -1.81 3.44 7.27 -0.46 -4.96 117.38 120.69 2occ n GLN 12 Ca -0.03 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.63 2occ n GLN 12 Cb 0.55 -0.81 0.00 0.00 2.41 0.00 0.00 30.24 32.40 2occ n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2occ s ALA 13 N -1.51 3.51 0.09 1.69 0.00 0.50 -5.00 121.76 121.04 2occ s ALA 13 Ca 0.00 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.52 2occ s ALA 13 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.51 2occ s ALA 13 CO 0.00 -1.07 0.04 -2.37 0.00 0.00 0.00 175.76 172.36 2occ n THR 14 N 0.35 0.00 -0.73 0.00 5.66 -1.26 -4.65 114.28 113.64 2occ n THR 14 Ca 0.02 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 2occ n THR 14 Cb 0.40 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 2occ n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2occ n GLY 15 N 1.36 1.03 0.34 1.09 0.00 -1.26 -1.02 105.19 106.73 2occ n GLY 15 Ca -0.01 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.60 2occ n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2occ h LEU 16 N 0.00 0.36 -0.48 0.99 5.85 -1.99 -0.67 115.31 119.37 2occ h LEU 16 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2occ h LEU 16 Cb 0.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2occ h LEU 16 CO 0.00 0.23 0.25 -0.08 -0.34 0.00 0.00 178.44 178.50 2occ h GLU 17 N 0.41 0.48 -0.36 1.25 4.81 -1.89 0.17 114.58 119.46 2occ h GLU 17 Ca 0.23 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2occ h GLU 17 Cb 0.38 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2occ h GLU 17 CO -0.06 0.32 0.05 -0.09 -0.73 0.00 0.00 179.01 178.50 2occ h ARG 18 N 0.50 0.60 -0.22 1.92 2.43 0.41 -1.57 114.38 118.45 2occ h ARG 18 Ca 0.21 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2occ h ARG 18 Cb 0.10 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2occ h ARG 18 CO -0.13 0.68 -0.00 0.93 -1.51 0.00 0.00 179.97 179.94 2occ h GLU 19 N 0.44 0.07 0.00 0.20 5.08 -0.54 0.31 114.58 120.13 2occ h GLU 19 Ca 0.11 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2occ h GLU 19 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2occ h GLU 19 CO 0.01 0.04 -0.28 -0.39 -1.00 0.00 0.00 179.01 177.39 2occ h VAL 20 N 0.07 0.99 0.06 3.13 -1.51 -0.58 -0.76 116.25 117.65 2occ h VAL 20 Ca 0.10 -1.05 -0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2occ h VAL 20 Cb 0.13 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 2occ h VAL 20 CO -0.17 0.28 -0.03 -0.03 -1.23 0.00 0.00 177.57 176.38 2occ h MET 21 N 0.00 -0.07 0.05 5.19 1.85 0.09 -0.58 114.93 121.46 2occ h MET 21 Ca -0.00 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2occ h MET 21 Cb 0.58 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.62 2occ h MET 21 CO 0.04 0.31 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.76 2occ h LEU 22 N -0.47 -0.06 -1.35 3.39 3.38 -0.32 -2.61 115.31 117.27 2occ h LEU 22 Ca -0.01 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 57.92 2occ h LEU 22 Cb 0.42 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2occ h LEU 22 CO 0.01 0.15 0.56 0.00 0.09 0.00 0.00 178.44 179.25 2occ h ALA 23 N 0.67 1.88 -0.71 1.53 0.00 -1.17 -2.07 119.26 119.39 2occ h ALA 23 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2occ h ALA 23 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2occ h ALA 23 CO 0.01 -0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.41 2occ h ALA 24 N 1.61 1.11 0.00 0.00 0.00 -0.72 -2.40 119.26 118.86 2occ h ALA 24 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2occ h ALA 24 Cb 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2occ h ALA 24 CO -0.18 0.62 0.00 0.07 0.00 0.00 0.00 179.25 179.76 2occ h ARG 25 N 1.03 0.00 -0.13 0.00 0.11 -1.19 -2.72 114.38 111.49 2occ h ARG 25 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 2occ h ARG 25 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2occ h ARG 25 CO -0.01 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.69 2occ n LYS 26 N -2.31 1.92 -0.85 0.08 5.02 -0.99 -4.95 118.16 116.08 2occ n LYS 26 Ca 0.04 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 2occ n LYS 26 Cb 0.36 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2occ n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2occ n GLY 27 N 1.24 0.71 4.00 0.72 0.00 -1.02 -5.06 105.19 105.78 2occ n GLY 27 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 2occ n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2occ s GLN 28 N -0.15 2.70 -0.40 1.61 -0.21 -0.94 -5.02 119.66 117.24 2occ s GLN 28 Ca 0.00 -1.17 0.10 0.00 0.02 0.00 0.00 55.36 54.31 2occ s GLN 28 Cb 0.00 -2.68 0.33 0.00 1.00 0.00 0.00 33.01 31.66 2occ s GLN 28 CO 0.00 -0.44 0.82 -3.47 -2.12 0.00 0.00 175.29 170.08 2occ n ASP 29 N -2.01 -0.10 0.10 5.90 2.03 -1.26 -4.12 116.55 117.09 2occ n ASP 29 Ca 0.09 -3.18 0.07 0.00 0.52 0.00 0.00 54.79 52.29 2occ n ASP 29 Cb 0.59 0.09 0.37 0.00 -0.72 0.00 0.00 41.12 41.45 2occ n ASP 29 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2occ n PRO 30 N 0.39 0.09 -0.54 -0.67 -0.04 -1.26 -2.59 135.00 130.37 2occ n PRO 30 Ca 0.20 0.57 0.04 0.00 -0.04 0.00 0.00 63.50 64.27 2occ n PRO 30 Cb 0.66 -1.78 0.22 0.00 -0.04 0.00 0.00 33.50 32.56 2occ n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2occ n TYR 31 N -1.97 0.86 -4.16 0.54 4.01 -1.26 -4.99 117.16 110.19 2occ n TYR 31 Ca -0.01 -1.19 -0.31 0.00 -0.16 0.00 0.00 57.90 56.24 2occ n TYR 31 Cb 0.03 -0.36 -0.06 0.00 -0.31 0.00 0.00 39.34 38.64 2occ n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2occ n ASN 32 N -0.89 -0.07 0.05 7.72 3.02 -1.07 -4.86 115.26 119.17 2occ n ASN 32 Ca 0.25 -1.19 0.02 0.00 -0.03 0.00 0.00 54.58 53.64 2occ n ASN 32 Cb 0.91 -2.12 -0.06 0.00 -0.61 0.00 0.00 39.78 37.91 2occ n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2occ h ILE 33 N -1.88 0.42 -2.95 2.41 2.04 -1.94 -3.47 117.51 112.14 2occ h ILE 33 Ca -0.66 -1.81 -0.61 0.00 1.00 0.00 0.00 64.86 62.78 2occ h ILE 33 Cb 1.39 1.96 -0.11 0.00 -0.74 0.00 0.00 36.82 39.32 2occ h ILE 33 CO 0.66 0.24 -0.65 -0.76 0.00 0.00 0.00 178.15 177.64 2occ s LEU 34 N -5.75 3.40 -0.08 1.44 1.02 -1.26 -5.10 118.68 112.35 2occ s LEU 34 Ca -0.02 -0.32 -0.25 0.00 0.02 0.00 0.00 54.13 53.56 2occ s LEU 34 Cb 0.09 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2occ s LEU 34 CO 0.80 0.10 0.77 0.00 0.02 0.00 0.00 176.35 178.05 2occ s ALA 35 N -1.65 3.35 0.24 4.21 0.00 -1.26 -5.02 121.76 121.63 2occ s ALA 35 Ca 0.27 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2occ s ALA 35 Cb -0.10 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 2occ s ALA 35 CO 0.19 -0.25 1.33 -1.25 0.00 0.00 0.00 175.76 175.78 2occ s PRO 36 N 1.14 4.36 0.08 0.00 0.04 -1.26 -5.00 135.00 134.36 2occ s PRO 36 Ca 0.40 2.14 -0.27 0.00 0.04 0.00 0.00 61.00 63.31 2occ s PRO 36 Cb -0.18 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 2occ s PRO 36 CO 0.19 -0.26 0.84 0.15 0.04 0.00 0.00 177.00 177.96 2occ s LYS 37 N -0.60 4.58 0.49 4.56 3.01 -1.26 -5.05 119.74 125.47 2occ s LYS 37 Ca 0.55 1.22 -0.20 0.00 -1.01 0.00 0.00 55.97 56.53 2occ s LYS 37 Cb -0.38 -3.36 -0.08 0.00 -1.01 0.00 0.00 37.83 32.99 2occ s LYS 37 CO 0.43 0.27 1.02 0.00 0.51 0.00 0.00 175.35 177.58 2occ s ALA 38 N -0.10 2.90 0.00 5.17 0.00 -1.26 -5.00 121.76 123.47 2occ s ALA 38 Ca 0.42 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2occ s ALA 38 Cb -0.22 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2occ s ALA 38 CO 0.26 -0.27 0.00 0.25 0.00 0.00 0.00 175.76 176.00 2occ n THR 39 N -1.05 0.00 0.32 0.00 -2.24 -1.26 -4.99 114.28 105.06 2occ n THR 39 Ca 0.09 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.02 2occ n THR 39 Cb 0.53 -0.96 0.62 0.00 -2.10 0.00 0.00 70.33 68.42 2occ n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2occ h SER 40 N 0.00 0.00 -0.28 3.42 4.64 -1.92 -3.47 113.55 115.95 2occ h SER 40 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2occ h SER 40 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2occ h SER 40 CO 0.00 0.00 -0.11 0.61 -0.87 0.00 0.00 176.83 176.46 2occ n GLY 41 N 0.04 0.79 3.91 -0.77 0.00 -0.85 -4.93 105.19 103.38 2occ n GLY 41 Ca 0.01 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2occ n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2occ s THR 42 N -2.06 2.00 0.45 2.61 -4.23 -1.20 -0.44 115.64 112.78 2occ s THR 42 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.63 2occ s THR 42 Cb 0.00 -3.00 0.29 0.00 1.34 0.00 0.00 72.50 71.13 2occ s THR 42 CO 0.00 0.00 2.07 0.50 -0.54 0.00 0.00 174.62 176.65 2occ h LYS 43 N -1.34 0.32 0.00 3.99 3.64 -1.95 -2.70 116.57 118.53 2occ h LYS 43 Ca -0.45 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.84 2occ h LYS 43 Cb 1.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2occ h LYS 43 CO 0.53 0.21 -1.16 1.05 -2.27 0.00 0.00 179.45 177.81 2occ h GLU 44 N 0.33 0.00 -2.19 1.90 9.09 -2.01 -3.38 114.58 118.31 2occ h GLU 44 Ca 0.14 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.98 2occ h GLU 44 Cb 0.14 0.00 -0.41 0.00 -1.65 0.00 0.00 28.75 26.83 2occ h GLU 44 CO -0.03 0.13 -0.79 -3.47 0.05 0.00 0.00 179.01 174.90 2occ n ASP 45 N -2.78 3.31 -4.75 3.06 2.03 -1.04 -5.10 116.55 111.28 2occ n ASP 45 Ca -0.04 -3.44 -0.31 0.00 0.52 0.00 0.00 54.79 51.52 2occ n ASP 45 Cb 0.67 -0.59 0.11 0.00 -0.72 0.00 0.00 41.12 40.59 2occ n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2occ s PRO 46 N -2.97 2.01 0.02 -0.67 0.04 -1.07 -2.01 135.00 130.35 2occ s PRO 46 Ca 0.45 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 2occ s PRO 46 Cb 0.27 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 2occ s PRO 46 CO -0.11 -1.85 1.15 -0.80 0.04 0.00 0.00 177.00 175.44 2occ s ASN 47 N -3.18 7.14 -0.44 6.66 0.01 -0.16 -4.79 114.94 120.18 2occ s ASN 47 Ca 0.63 1.88 -0.20 0.00 -0.71 0.00 0.00 52.86 54.46 2occ s ASN 47 Cb -0.19 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 38.93 2occ s ASN 47 CO 0.56 -0.45 0.62 -0.76 -1.51 0.00 0.00 177.10 175.56 2occ s LEU 48 N 1.34 4.57 -0.46 0.60 1.43 -1.26 -0.38 118.68 124.52 2occ s LEU 48 Ca 0.56 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 2occ s LEU 48 Cb -0.26 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.33 2occ s LEU 48 CO 0.27 -0.77 0.50 -0.69 0.23 0.00 0.00 176.35 175.88 2occ s VAL 49 N 2.75 5.04 0.53 -1.59 1.01 0.12 -4.92 120.40 123.35 2occ s VAL 49 Ca 0.21 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2occ s VAL 49 Cb -0.15 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2occ s VAL 49 CO 0.18 -0.60 1.15 -2.84 0.00 0.00 0.00 175.10 172.99 2occ s PRO 50 N 2.20 3.39 -0.09 2.72 0.02 -1.26 -0.60 135.00 141.38 2occ s PRO 50 Ca 0.11 1.68 -0.24 0.00 0.02 0.00 0.00 61.00 62.58 2occ s PRO 50 Cb -0.19 -2.08 0.05 0.00 0.02 0.00 0.00 34.50 32.30 2occ s PRO 50 CO 0.11 -0.83 0.56 0.45 -0.33 0.00 0.00 177.00 176.96 2occ s SER 51 N -1.66 -0.52 0.00 2.53 0.15 0.59 -4.81 113.70 109.98 2occ s SER 51 Ca 0.71 0.69 0.20 0.00 0.70 0.00 0.00 55.95 58.26 2occ s SER 51 Cb -0.26 0.68 0.54 0.00 -1.71 0.00 0.00 66.02 65.26 2occ s SER 51 CO 0.29 -0.45 1.45 0.00 1.20 0.00 0.00 173.24 175.74 2occ n ILE 52 N 1.56 0.69 -2.18 6.45 3.06 -1.26 -0.51 119.36 127.17 2occ n ILE 52 Ca -0.18 -0.76 0.00 0.00 -2.50 0.00 0.00 62.75 59.31 2occ n ILE 52 Cb 0.56 0.53 0.00 0.00 0.54 0.00 0.00 39.64 41.28 2occ n ILE 52 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2occ n THR 53 N 1.25 0.00 0.07 9.51 -1.04 -1.26 -4.45 114.28 118.35 2occ n THR 53 Ca 0.20 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.28 2occ n THR 53 Cb 0.52 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 69.19 2occ n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2occ n ASN 54 N 0.00 2.91 -3.55 8.00 0.23 -1.26 -4.96 115.26 116.63 2occ n ASN 54 Ca 0.00 -1.87 -0.17 0.00 -0.53 0.00 0.00 54.58 52.01 2occ n ASN 54 Cb 0.00 -0.20 -0.06 0.00 -2.08 0.00 0.00 39.78 37.43 2occ n ASN 54 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2occ s LYS 55 N -1.09 1.00 -0.10 -3.83 -2.85 -1.26 -0.09 119.74 111.51 2occ s LYS 55 Ca 0.27 0.45 -0.13 0.00 -1.00 0.00 0.00 55.97 55.55 2occ s LYS 55 Cb 0.15 0.47 0.03 0.00 -2.06 0.00 0.00 37.83 36.43 2occ s LYS 55 CO 0.21 -0.27 0.35 0.50 0.10 0.00 0.00 175.35 176.24 2occ s ARG 56 N -0.79 0.50 0.08 1.78 3.52 -0.71 -4.92 118.95 118.41 2occ s ARG 56 Ca -0.08 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 2occ s ARG 56 Cb -0.01 0.23 -0.06 0.00 -1.56 0.00 0.00 34.95 33.55 2occ s ARG 56 CO 0.08 -0.09 1.18 0.42 -0.81 0.00 0.00 175.30 176.07 2occ s ILE 57 N -0.23 4.01 -0.08 4.11 1.01 -1.26 -0.56 121.20 128.19 2occ s ILE 57 Ca -0.04 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.10 2occ s ILE 57 Cb -0.03 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2occ s ILE 57 CO 0.02 0.15 -0.04 -0.69 0.00 0.00 0.00 174.94 174.38 2occ s VAL 58 N 0.79 3.97 -0.18 2.92 1.01 0.22 -4.91 120.40 124.22 2occ s VAL 58 Ca 0.57 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 2occ s VAL 58 Cb -0.29 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2occ s VAL 58 CO 0.31 0.59 -0.15 -0.83 0.00 0.00 0.00 175.10 175.02 2occ s GLY 59 N -0.71 1.47 -0.22 4.51 0.00 -1.26 -1.36 107.32 109.76 2occ s GLY 59 Ca 0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 2occ s GLY 59 CO 0.02 0.25 -0.03 0.00 0.00 0.00 0.00 173.10 173.35 2occ s ILE 61 N 1.40 5.04 0.22 0.00 1.01 -1.26 -1.22 121.20 126.39 2occ s ILE 61 Ca 0.05 -1.94 -0.12 0.00 0.00 0.00 0.00 60.65 58.63 2occ s ILE 61 Cb -0.14 -4.69 0.28 0.00 0.01 0.00 0.00 42.46 37.92 2occ s ILE 61 CO -0.01 -1.36 1.61 0.00 0.00 0.00 0.00 174.94 175.17 2occ s GLU 63 N -6.24 1.19 0.02 0.00 2.02 -1.26 -5.07 118.70 109.36 2occ s GLU 63 Ca -0.14 -0.56 -0.05 0.00 0.02 0.00 0.00 54.97 54.24 2occ s GLU 63 Cb 0.21 -1.16 -0.01 0.00 0.10 0.00 0.00 34.13 33.27 2occ s GLU 63 CO 0.74 0.31 0.23 -1.91 0.02 0.00 0.00 175.26 174.66 2occ n GLU 64 N 2.61 -0.06 -1.31 1.61 2.13 -1.26 -1.28 120.64 123.07 2occ n GLU 64 Ca -0.15 0.22 -0.29 0.00 0.66 0.00 0.00 57.16 57.61 2occ n GLU 64 Cb 0.55 -0.33 0.12 0.00 0.27 0.00 0.00 31.44 32.04 2occ n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2occ n ASP 65 N -4.17 5.89 -4.75 4.31 8.00 -1.26 -4.99 116.55 119.58 2occ n ASP 65 Ca 0.00 -3.73 -0.40 0.00 0.71 0.00 0.00 54.79 51.37 2occ n ASP 65 Cb 0.04 -0.86 -0.05 0.00 -0.02 0.00 0.00 41.12 40.22 2occ n ASP 65 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2occ s ASN 66 N -1.85 7.54 0.11 -2.24 -0.87 -0.41 -4.97 114.94 112.25 2occ s ASN 66 Ca 0.60 1.99 0.23 0.00 -1.57 0.00 0.00 52.86 54.12 2occ s ASN 66 Cb 0.49 -2.61 0.17 0.00 -0.02 0.00 0.00 41.25 39.28 2occ s ASN 66 CO 0.03 0.05 1.16 -1.54 -2.57 0.00 0.00 177.10 174.23 2occ n SER 67 N 1.68 0.69 -4.36 -1.22 3.41 -1.26 -4.83 113.62 107.74 2occ n SER 67 Ca -0.01 0.05 -0.33 0.00 -0.26 0.00 0.00 58.87 58.32 2occ n SER 67 Cb 0.47 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.73 2occ n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2occ s THR 68 N -3.22 3.13 0.08 6.66 2.01 -1.26 -5.10 115.64 117.94 2occ s THR 68 Ca 0.04 -0.62 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 2occ s THR 68 Cb 0.13 -2.34 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 2occ s THR 68 CO 0.76 0.50 0.56 -0.69 -0.69 0.00 0.00 174.62 175.06 2occ s VAL 69 N 0.63 4.77 -0.28 3.82 1.01 -1.26 -4.73 120.40 124.35 2occ s VAL 69 Ca -0.06 1.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.91 2occ s VAL 69 Cb -0.15 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2occ s VAL 69 CO 0.03 0.51 0.40 -0.63 0.00 0.00 0.00 175.10 175.41 2occ s ILE 70 N -1.16 5.15 -0.02 2.22 -1.09 -0.35 -4.87 121.20 121.07 2occ s ILE 70 Ca 0.30 0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 59.29 2occ s ILE 70 Cb -0.19 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 2occ s ILE 70 CO 0.19 0.11 0.04 0.26 -1.23 0.00 0.00 174.94 174.30 2occ s TRP 71 N 2.12 3.20 -0.15 3.97 0.52 -1.26 0.43 118.94 127.78 2occ s TRP 71 Ca 0.16 0.17 -0.30 0.00 0.02 0.00 0.00 56.10 56.14 2occ s TRP 71 Cb -0.16 -1.73 0.13 0.00 -1.15 0.00 0.00 33.47 30.57 2occ s TRP 71 CO 0.10 0.51 1.05 -0.59 0.02 0.00 0.00 176.95 178.04 2occ s PHE 72 N -1.10 -0.29 0.03 -1.98 -0.71 -0.46 -4.99 117.98 108.48 2occ s PHE 72 Ca 0.20 0.40 -0.28 0.00 -1.04 0.00 0.00 56.93 56.20 2occ s PHE 72 Cb -0.12 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 2occ s PHE 72 CO 0.10 -0.33 0.91 -1.58 -1.34 0.00 0.00 175.22 172.98 2occ s TRP 73 N -1.71 3.71 -0.25 3.49 0.52 -1.26 0.72 118.94 124.16 2occ s TRP 73 Ca 0.02 1.64 -0.08 0.00 0.02 0.00 0.00 56.10 57.70 2occ s TRP 73 Cb -0.01 -3.02 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2occ s TRP 73 CO -0.03 0.11 0.11 -1.17 0.02 0.00 0.00 176.95 175.99 2occ s LEU 74 N 0.52 3.70 0.26 2.99 0.20 0.27 -4.90 118.68 121.71 2occ s LEU 74 Ca 0.47 -0.09 0.06 0.00 0.69 0.00 0.00 54.13 55.25 2occ s LEU 74 Cb -0.21 -1.99 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 2occ s LEU 74 CO 0.27 0.00 0.34 -1.00 -0.29 0.00 0.00 176.35 175.67 2occ s HIS 75 N 1.42 3.33 0.16 5.38 3.76 -1.26 -1.73 115.29 126.34 2occ s HIS 75 Ca 0.06 -0.07 -0.31 0.00 -0.15 0.00 0.00 55.06 54.58 2occ s HIS 75 Cb -0.15 -1.61 -0.10 0.00 1.11 0.00 0.00 32.58 31.84 2occ s HIS 75 CO 0.05 0.38 1.59 0.21 -0.85 0.00 0.00 174.74 176.13 2occ s LYS 76 N -3.98 4.21 0.00 1.40 2.20 0.87 -4.49 119.74 119.94 2occ s LYS 76 Ca 0.36 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 2occ s LYS 76 Cb -0.09 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 2occ s LYS 76 CO 0.29 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 2occ n GLY 77 N 3.80 0.30 3.80 5.54 0.00 -1.26 -5.08 105.19 112.29 2occ n GLY 77 Ca 0.14 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 2occ n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2occ s GLU 78 N -2.00 3.12 0.15 1.61 0.41 -1.26 -4.72 118.70 116.01 2occ s GLU 78 Ca 0.00 1.22 -0.33 0.00 -0.41 0.00 0.00 54.97 55.45 2occ s GLU 78 Cb 0.00 -2.00 -0.13 0.00 -1.78 0.00 0.00 34.13 30.22 2occ s GLU 78 CO 0.00 -0.97 1.68 0.00 -0.49 0.00 0.00 175.26 175.47 2occ n ALA 79 N -2.29 1.89 -2.85 5.21 0.00 -1.26 -4.88 120.51 116.33 2occ n ALA 79 Ca 0.09 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.71 2occ n ALA 79 Cb 0.53 -2.45 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 2occ n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2occ s GLN 80 N 1.45 3.03 0.12 0.00 -0.21 0.11 -4.87 119.66 119.28 2occ s GLN 80 Ca 0.79 -0.95 0.08 0.00 0.02 0.00 0.00 55.36 55.30 2occ s GLN 80 Cb -0.60 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 30.72 2occ s GLN 80 CO 0.37 0.43 -0.13 1.03 -2.12 0.00 0.00 175.29 174.86 2occ s ARG 81 N -3.69 1.97 0.10 2.91 0.52 -1.26 -0.27 118.95 119.23 2occ s ARG 81 Ca 0.33 -1.12 -0.31 0.00 -0.52 0.00 0.00 55.73 54.11 2occ s ARG 81 Cb -0.09 -2.21 -0.08 0.00 0.52 0.00 0.00 34.95 33.09 2occ s ARG 81 CO 0.25 0.49 1.57 0.00 0.02 0.00 0.00 175.30 177.63 2occ h PRO 83 N 7.61 0.00 0.01 0.00 0.11 -1.96 0.32 132.00 138.09 2occ h PRO 83 Ca -0.42 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.27 2occ h PRO 83 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2occ h PRO 83 CO 0.91 0.00 -2.44 0.45 -0.21 0.00 0.00 178.00 176.71 2occ n SER 84 N -3.30 1.97 -0.20 -2.05 2.88 -1.26 -4.78 113.62 106.89 2occ n SER 84 Ca 0.03 0.09 0.02 0.00 -1.33 0.00 0.00 58.87 57.69 2occ n SER 84 Cb 0.52 -0.62 0.02 0.00 -0.75 0.00 0.00 64.21 63.38 2occ n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2occ n GLY 86 N 0.28 0.93 3.69 0.00 0.00 0.08 -4.92 105.19 105.25 2occ n GLY 86 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2occ n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2occ n THR 87 N -2.00 2.31 -3.44 2.61 -1.04 -1.26 -4.42 114.28 107.04 2occ n THR 87 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 2occ n THR 87 Cb 0.00 -1.52 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 2occ n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2occ s HIS 88 N -1.16 3.73 -0.01 -1.42 0.09 0.41 -0.52 115.29 116.42 2occ s HIS 88 Ca 0.59 1.04 0.01 0.00 -0.00 0.00 0.00 55.06 56.71 2occ s HIS 88 Cb -0.54 -2.35 -0.00 0.00 -0.00 0.00 0.00 32.58 29.69 2occ s HIS 88 CO 0.60 0.60 -0.05 0.71 -0.00 0.00 0.00 174.74 176.60 2occ s TYR 89 N -0.97 0.46 -0.04 1.40 2.02 0.63 -0.98 117.35 119.86 2occ s TYR 89 Ca 0.25 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2occ s TYR 89 Cb -0.17 -0.31 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2occ s TYR 89 CO 0.14 -0.02 -0.02 0.21 -1.57 0.00 0.00 175.55 174.29 2occ s LYS 90 N -0.02 0.59 0.42 -0.62 2.20 0.49 -0.72 119.74 122.09 2occ s LYS 90 Ca 0.01 -0.01 -0.24 0.00 -0.36 0.00 0.00 55.97 55.37 2occ s LYS 90 Cb -0.03 -0.71 -0.08 0.00 -1.51 0.00 0.00 37.83 35.50 2occ s LYS 90 CO -0.00 -0.13 1.17 -1.17 -0.36 0.00 0.00 175.35 174.86 2occ s LEU 91 N 1.09 4.12 0.04 5.43 2.96 -1.26 -0.70 118.68 130.35 2occ s LEU 91 Ca -0.09 2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 56.14 2occ s LEU 91 Cb -0.14 -4.11 -0.03 0.00 0.50 0.00 0.00 46.19 42.42 2occ s LEU 91 CO -0.01 -0.77 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.54 2occ s VAL 92 N -1.47 0.16 0.52 1.68 1.01 0.23 -4.83 120.40 117.71 2occ s VAL 92 Ca 0.60 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 2occ s VAL 92 Cb -0.30 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 2occ s VAL 92 CO 0.37 -0.74 0.97 -2.16 0.00 0.00 0.00 175.10 173.54 2occ s PRO 93 N -2.71 3.87 0.90 2.72 0.04 -1.26 -0.30 135.00 138.27 2occ s PRO 93 Ca -0.04 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2occ s PRO 93 Cb -0.01 -2.15 0.20 0.00 0.04 0.00 0.00 34.50 32.58 2occ s PRO 93 CO -0.05 -0.30 1.23 -1.58 0.04 0.00 0.00 177.00 176.34 2occ s HIS 94 N -2.70 1.25 0.34 0.56 2.46 0.33 -4.46 115.29 113.07 2occ s HIS 94 Ca 0.57 -0.02 0.08 0.00 0.47 0.00 0.00 55.06 56.16 2occ s HIS 94 Cb -0.10 -3.78 0.77 0.00 -0.13 0.00 0.00 32.58 29.34 2occ s HIS 94 CO 0.35 -2.48 1.84 -0.56 -2.47 0.00 0.00 174.74 171.42 2occ h GLN 95 N -1.34 0.72 -5.16 2.88 -0.00 -1.96 -3.36 115.11 106.90 2occ h GLN 95 Ca -0.40 -0.04 -0.67 0.00 -0.00 0.00 0.00 58.65 57.54 2occ h GLN 95 Cb 1.23 -0.16 -0.16 0.00 -0.00 0.00 0.00 27.48 28.38 2occ h GLN 95 CO 0.33 0.48 -0.05 -1.17 -0.00 0.00 0.00 178.83 178.42 2occ s LEU 96 N -9.94 4.58 -1.12 0.06 1.98 -1.26 -4.99 118.68 107.99 2occ s LEU 96 Ca -0.10 -0.36 -0.26 0.00 -2.89 0.00 0.00 54.13 50.52 2occ s LEU 96 Cb 0.23 -2.56 -0.19 0.00 0.66 0.00 0.00 46.19 44.33 2occ s LEU 96 CO 0.79 -0.61 2.07 0.00 -1.89 0.00 0.00 176.35 176.71 2occ s ALA 97 N 2.44 0.82 0.00 5.97 0.00 -1.26 -4.84 121.76 124.88 2occ s ALA 97 Ca 0.17 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2occ s ALA 97 Cb -0.16 -4.70 0.00 0.00 0.00 0.00 0.00 23.12 18.27 2occ s ALA 97 CO 0.15 -6.50 0.00 0.72 0.00 0.00 0.00 175.76 170.13