#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 7.30 0.00 0.00 0.15 -1.26 -4.97 113.70 114.92 2occ s SER 2 Ca 0.00 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.67 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 0.71 0.61 1.20 0.00 0.00 173.24 175.55 2occ n GLY 3 N 2.19 0.72 7.00 9.45 0.00 -1.26 -5.13 105.19 118.16 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 -0.25 0.74 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.41 2occ n GLY 4 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 1.78 3.73 -0.02 0.00 -1.26 -5.10 105.19 104.33 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 -2.09 5.32 0.90 1.61 -7.23 -1.26 -5.07 120.40 112.57 2occ s VAL 6 Ca 0.00 0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 2occ s VAL 6 Cb 0.00 -3.41 0.10 0.00 0.56 0.00 0.00 36.38 33.63 2occ s VAL 6 CO 0.00 0.47 0.90 -2.65 -0.31 0.00 0.00 175.10 173.51 2occ n PRO 7 N 3.33 -0.28 -3.98 4.82 -0.02 -1.26 -5.04 135.00 132.57 2occ n PRO 7 Ca -0.17 -0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.07 2occ n PRO 7 Cb 0.52 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 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 -2.45 3.12 0.13 3.45 -4.23 -1.26 -5.00 115.64 109.40 2occ s THR 8 Ca 0.65 -1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 59.42 2occ s THR 8 Cb -0.24 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 2occ s THR 8 CO 0.60 -0.16 1.68 0.44 -0.54 0.00 0.00 174.62 176.64 2occ h ASP 9 N 1.42 0.51 -1.01 3.99 3.32 -1.96 -1.34 116.42 121.35 2occ h ASP 9 Ca -0.44 -0.16 0.26 0.00 0.02 0.00 0.00 57.03 56.71 2occ h ASP 9 Cb 1.25 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.60 2occ h ASP 9 CO 0.62 0.53 0.67 -0.08 -1.72 0.00 0.00 179.24 179.26 2occ h GLU 10 N 0.46 0.30 0.00 3.56 4.57 -1.96 0.22 114.58 121.74 2occ h GLU 10 Ca 0.13 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2occ h GLU 10 Cb 0.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2occ h GLU 10 CO -0.01 0.20 -1.62 -0.85 -1.18 0.00 0.00 179.01 175.55 2occ n GLU 11 N -4.50 0.64 0.00 1.92 0.28 -1.02 -4.70 120.64 113.25 2occ n GLU 11 Ca 0.23 -0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2occ n GLU 11 Cb 0.88 -1.64 0.00 0.00 1.43 0.00 0.00 31.44 32.11 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 -2.42 1.39 -1.75 3.44 7.27 -0.54 -4.96 117.38 119.81 2occ n GLN 12 Ca -0.02 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.64 2occ n GLN 12 Cb 0.56 -0.88 0.01 0.00 2.41 0.00 0.00 30.24 32.35 2occ n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2occ n ALA 13 N -1.26 1.95 -3.76 1.69 0.00 0.69 -5.00 120.51 114.83 2occ n ALA 13 Ca 0.00 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 2occ n ALA 13 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.05 2occ n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2occ n THR 14 N -0.05 0.00 -0.26 0.00 5.66 -1.26 -4.67 114.28 113.70 2occ n THR 14 Ca 0.05 -1.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.05 2occ n THR 14 Cb 0.40 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 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 0.57 1.04 0.35 1.09 0.00 -1.26 -0.87 105.19 106.11 2occ n GLY 15 Ca -0.00 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 0.24 -0.54 0.99 5.85 -1.99 -0.53 115.31 119.33 2occ h LEU 16 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2occ h LEU 16 Cb 0.00 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2occ h LEU 16 CO 0.00 0.14 0.31 -0.08 -0.34 0.00 0.00 178.44 178.47 2occ h GLU 17 N 0.27 0.74 -0.33 1.25 4.81 -1.90 0.73 114.58 120.15 2occ h GLU 17 Ca 0.24 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 2occ h GLU 17 Cb 0.60 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2occ h GLU 17 CO -0.05 0.56 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.64 2occ h ARG 18 N 0.72 0.63 -0.10 1.92 2.43 0.57 -2.14 114.38 118.40 2occ h ARG 18 Ca 0.19 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2occ h ARG 18 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2occ h ARG 18 CO -0.03 0.79 -0.09 0.93 -1.51 0.00 0.00 179.97 180.06 2occ h GLU 19 N 0.41 -0.10 0.00 0.20 5.08 -0.89 0.14 114.58 119.43 2occ h GLU 19 Ca 0.09 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2occ h GLU 19 Cb 0.54 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2occ h GLU 19 CO 0.03 -0.07 -0.19 -0.39 -1.00 0.00 0.00 179.01 177.39 2occ h VAL 20 N -0.10 0.76 0.09 3.13 -1.51 -0.83 -1.12 116.25 116.68 2occ h VAL 20 Ca 0.07 -0.76 -0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2occ h VAL 20 Cb 0.20 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2occ h VAL 20 CO -0.16 0.18 -0.05 -0.03 -1.23 0.00 0.00 177.57 176.28 2occ h MET 21 N 0.00 -0.12 0.11 5.19 1.85 -0.37 -0.93 114.93 120.66 2occ h MET 21 Ca -0.00 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 2occ h MET 21 Cb 0.44 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.50 2occ h MET 21 CO 0.02 0.31 -0.05 -0.07 -0.40 0.00 0.00 176.91 176.72 2occ h LEU 22 N -0.60 -0.13 -1.58 3.39 3.38 -0.66 -2.28 115.31 116.83 2occ h LEU 22 Ca -0.01 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 57.95 2occ h LEU 22 Cb 0.49 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2occ h LEU 22 CO 0.02 0.05 0.46 0.00 0.09 0.00 0.00 178.44 179.07 2occ h ALA 23 N 0.57 2.04 -0.59 1.53 0.00 -1.27 -2.11 119.26 119.44 2occ h ALA 23 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2occ h ALA 23 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2occ h ALA 23 CO 0.03 -0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.12 2occ h ALA 24 N 1.66 1.00 0.00 0.00 0.00 -0.58 -2.26 119.26 119.08 2occ h ALA 24 Ca 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2occ h ALA 24 Cb 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2occ h ALA 24 CO -0.10 0.63 0.00 2.89 0.00 0.00 0.00 179.25 182.66 2occ n ARG 25 N -4.21 0.24 -0.11 0.00 1.85 -0.80 -2.44 116.66 111.18 2occ n ARG 25 Ca 0.04 0.30 0.11 0.00 -1.00 0.00 0.00 57.85 57.29 2occ n ARG 25 Cb 0.30 -1.84 0.31 0.00 -1.05 0.00 0.00 32.46 30.18 2occ n ARG 25 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2occ n LYS 26 N -2.27 2.01 -0.94 2.89 5.02 -1.02 -4.95 118.16 118.90 2occ n LYS 26 Ca 0.04 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 2occ n LYS 26 Cb 0.35 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 1.26 0.78 4.00 0.72 0.00 -1.02 -5.06 105.19 105.87 2occ n GLY 27 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.06 2.58 -0.40 1.61 -0.21 -0.88 -5.02 119.66 117.27 2occ s GLN 28 Ca 0.00 -1.08 0.09 0.00 0.02 0.00 0.00 55.36 54.40 2occ s GLN 28 Cb 0.00 -2.61 0.32 0.00 1.00 0.00 0.00 33.01 31.72 2occ s GLN 28 CO 0.00 -0.59 0.80 -3.47 -2.12 0.00 0.00 175.29 169.91 2occ n ASP 29 N -2.16 -0.32 0.10 5.90 2.03 -1.26 -4.14 116.55 116.70 2occ n ASP 29 Ca 0.09 -3.15 0.08 0.00 0.52 0.00 0.00 54.79 52.33 2occ n ASP 29 Cb 0.60 0.18 0.39 0.00 -0.72 0.00 0.00 41.12 41.57 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 0.58 0.10 -0.57 -0.67 -0.04 -1.26 -2.63 135.00 130.50 2occ n PRO 30 Ca 0.19 0.55 0.03 0.00 -0.04 0.00 0.00 63.50 64.22 2occ n PRO 30 Cb 0.65 -1.79 0.22 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.99 0.86 -4.23 0.54 4.01 -1.26 -4.99 117.16 110.10 2occ n TYR 31 Ca -0.00 -1.25 -0.31 0.00 -0.16 0.00 0.00 57.90 56.18 2occ n TYR 31 Cb 0.05 -0.38 -0.08 0.00 -0.31 0.00 0.00 39.34 38.63 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 -0.93 0.30 0.08 7.72 3.02 -1.08 -4.85 115.26 119.52 2occ n ASN 32 Ca 0.26 -1.23 0.06 0.00 -0.03 0.00 0.00 54.58 53.64 2occ n ASN 32 Cb 0.92 -1.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 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 -1.86 0.29 -2.89 2.41 2.04 -1.94 -3.47 117.51 112.09 2occ h ILE 33 Ca -0.66 -1.55 -0.60 0.00 1.00 0.00 0.00 64.86 63.05 2occ h ILE 33 Cb 1.40 1.84 -0.11 0.00 -0.74 0.00 0.00 36.82 39.20 2occ h ILE 33 CO 0.68 0.17 -0.65 -0.76 0.00 0.00 0.00 178.15 177.58 2occ s LEU 34 N -5.68 3.35 -0.06 1.44 1.02 -1.26 -5.10 118.68 112.39 2occ s LEU 34 Ca -0.01 -0.37 -0.25 0.00 0.02 0.00 0.00 54.13 53.53 2occ s LEU 34 Cb 0.09 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2occ s LEU 34 CO 0.79 0.09 0.76 0.00 0.02 0.00 0.00 176.35 178.02 2occ s ALA 35 N -1.71 3.32 0.26 4.21 0.00 -1.26 -5.02 121.76 121.56 2occ s ALA 35 Ca 0.28 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 2occ s ALA 35 Cb -0.09 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2occ s ALA 35 CO 0.19 -0.17 1.25 -1.25 0.00 0.00 0.00 175.76 175.77 2occ s PRO 36 N 0.95 4.45 0.04 0.00 0.04 -1.26 -5.00 135.00 134.22 2occ s PRO 36 Ca 0.40 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 63.21 2occ s PRO 36 Cb -0.18 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2occ s PRO 36 CO 0.19 -0.10 0.79 0.15 0.04 0.00 0.00 177.00 178.07 2occ s LYS 37 N -0.96 4.51 0.46 4.56 3.01 -1.26 -5.05 119.74 125.01 2occ s LYS 37 Ca 0.51 1.10 -0.21 0.00 -1.01 0.00 0.00 55.97 56.36 2occ s LYS 37 Cb -0.36 -3.38 -0.09 0.00 -1.01 0.00 0.00 37.83 33.00 2occ s LYS 37 CO 0.43 0.24 1.04 0.00 0.51 0.00 0.00 175.35 177.57 2occ s ALA 38 N 0.07 2.93 0.05 5.17 0.00 -1.26 -5.00 121.76 123.72 2occ s ALA 38 Ca 0.40 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2occ s ALA 38 Cb -0.21 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2occ s ALA 38 CO 0.23 -0.28 0.00 0.25 0.00 0.00 0.00 175.76 175.96 2occ n THR 39 N -0.74 0.00 0.32 0.00 -2.24 -1.26 -4.98 114.28 105.38 2occ n THR 39 Ca 0.08 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.01 2occ n THR 39 Cb 0.52 -1.05 0.58 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.25 3.42 4.64 -1.91 -3.47 113.55 115.98 2occ h SER 40 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2occ h SER 40 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2occ h SER 40 CO 0.00 0.00 -0.10 0.61 -0.87 0.00 0.00 176.83 176.47 2occ n GLY 41 N 0.17 0.76 3.92 -0.77 0.00 -0.86 -4.93 105.19 103.47 2occ n GLY 41 Ca 0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 2.05 0.48 2.61 -4.23 -1.20 -0.65 115.64 112.65 2occ s THR 42 Ca 0.00 -0.07 0.16 0.00 -1.18 0.00 0.00 61.69 60.60 2occ s THR 42 Cb 0.00 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.17 2occ s THR 42 CO 0.00 0.00 2.06 0.50 -0.54 0.00 0.00 174.62 176.64 2occ h LYS 43 N -1.13 0.18 0.00 3.99 3.64 -1.95 -2.66 116.57 118.64 2occ h LYS 43 Ca -0.45 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.80 2occ h LYS 43 Cb 1.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 2occ h LYS 43 CO 0.56 0.12 -1.32 -0.85 -2.27 0.00 0.00 179.45 175.69 2occ n GLU 44 N -4.48 0.62 -3.05 1.90 0.00 -1.26 -4.35 120.64 110.01 2occ n GLU 44 Ca 0.04 0.19 -0.25 0.00 0.00 0.00 0.00 57.16 57.14 2occ n GLU 44 Cb 0.27 -1.81 -0.04 0.00 0.00 0.00 0.00 31.44 29.86 2occ n GLU 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2occ n ASP 45 N -2.83 3.50 -4.72 -1.84 2.03 -1.03 -5.10 116.55 106.56 2occ n ASP 45 Ca -0.07 -3.49 -0.31 0.00 0.52 0.00 0.00 54.79 51.44 2occ n ASP 45 Cb 0.77 -0.59 0.13 0.00 -0.72 0.00 0.00 41.12 40.70 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 -3.07 1.64 0.01 -0.67 0.04 -1.05 -2.03 135.00 129.87 2occ s PRO 46 Ca 0.46 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2occ s PRO 46 Cb 0.28 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.95 2occ s PRO 46 CO -0.11 -2.10 1.15 -0.80 0.04 0.00 0.00 177.00 175.17 2occ s ASN 47 N -3.13 7.14 -0.44 6.66 0.01 -0.07 -4.78 114.94 120.33 2occ s ASN 47 Ca 0.63 1.87 -0.20 0.00 -0.71 0.00 0.00 52.86 54.45 2occ s ASN 47 Cb -0.19 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 38.92 2occ s ASN 47 CO 0.57 -0.46 0.61 -0.76 -1.51 0.00 0.00 177.10 175.55 2occ s LEU 48 N 1.43 4.57 -0.49 0.60 1.43 -1.26 -0.41 118.68 124.54 2occ s LEU 48 Ca 0.56 -0.40 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 2occ s LEU 48 Cb -0.26 -2.67 0.06 0.00 0.03 0.00 0.00 46.19 43.35 2occ s LEU 48 CO 0.26 -0.75 0.55 -0.69 0.23 0.00 0.00 176.35 175.95 2occ s VAL 49 N 2.71 5.00 0.59 -1.59 1.01 0.19 -4.92 120.40 123.37 2occ s VAL 49 Ca 0.21 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2occ s VAL 49 Cb -0.15 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2occ s VAL 49 CO 0.18 -0.71 1.16 -2.84 0.00 0.00 0.00 175.10 172.89 2occ s PRO 50 N 2.30 3.07 -0.06 2.72 0.02 -1.26 -0.67 135.00 141.14 2occ s PRO 50 Ca 0.12 1.68 -0.25 0.00 0.02 0.00 0.00 61.00 62.57 2occ s PRO 50 Cb -0.21 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.41 2occ s PRO 50 CO 0.10 -1.09 0.56 0.45 -0.33 0.00 0.00 177.00 176.70 2occ s SER 51 N -1.80 -0.52 0.00 2.53 0.15 0.69 -4.81 113.70 109.95 2occ s SER 51 Ca 0.74 0.57 0.22 0.00 0.70 0.00 0.00 55.95 58.19 2occ s SER 51 Cb -0.26 0.53 0.52 0.00 -1.71 0.00 0.00 66.02 65.10 2occ s SER 51 CO 0.32 -0.52 1.45 0.00 1.20 0.00 0.00 173.24 175.68 2occ n ILE 52 N 1.19 0.60 -2.53 6.45 3.06 -1.26 -0.55 119.36 126.32 2occ n ILE 52 Ca -0.19 -0.75 0.00 0.00 -2.50 0.00 0.00 62.75 59.30 2occ n ILE 52 Cb 0.57 0.73 0.00 0.00 0.54 0.00 0.00 39.64 41.48 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 1.36 0.00 0.23 9.51 -1.04 -1.26 -4.39 114.28 118.69 2occ n THR 53 Ca 0.20 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.31 2occ n THR 53 Cb 0.56 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 69.25 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 3.11 -3.58 8.00 0.23 -1.26 -4.95 115.26 116.81 2occ n ASN 54 Ca 0.00 -1.90 -0.16 0.00 -0.53 0.00 0.00 54.58 51.99 2occ n ASN 54 Cb 0.00 -0.20 -0.07 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 -1.29 0.95 -0.10 -3.83 -2.85 -1.26 0.05 119.74 111.41 2occ s LYS 55 Ca 0.31 0.43 -0.12 0.00 -1.00 0.00 0.00 55.97 55.60 2occ s LYS 55 Cb 0.18 0.45 0.03 0.00 -2.06 0.00 0.00 37.83 36.43 2occ s LYS 55 CO 0.26 -0.25 0.32 0.50 0.10 0.00 0.00 175.35 176.28 2occ s ARG 56 N -0.73 0.43 0.11 1.78 3.52 -0.68 -4.92 118.95 118.46 2occ s ARG 56 Ca -0.08 0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 2occ s ARG 56 Cb -0.02 0.20 -0.07 0.00 -1.56 0.00 0.00 34.95 33.51 2occ s ARG 56 CO 0.07 -0.07 1.19 0.42 -0.81 0.00 0.00 175.30 176.10 2occ s ILE 57 N -0.13 3.86 -0.08 4.11 1.01 -1.26 -0.74 121.20 127.96 2occ s ILE 57 Ca -0.03 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.04 2occ s ILE 57 Cb -0.03 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2occ s ILE 57 CO 0.01 0.16 -0.05 -0.69 0.00 0.00 0.00 174.94 174.37 2occ s VAL 58 N 0.60 3.85 -0.19 2.92 1.01 0.21 -4.91 120.40 123.89 2occ s VAL 58 Ca 0.56 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2occ s VAL 58 Cb -0.31 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2occ s VAL 58 CO 0.32 0.59 -0.13 -0.83 0.00 0.00 0.00 175.10 175.04 2occ s GLY 59 N -0.65 1.49 -0.22 4.51 0.00 -1.26 -1.25 107.32 109.94 2occ s GLY 59 Ca 0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 2occ s GLY 59 CO 0.02 0.27 -0.04 0.00 0.00 0.00 0.00 173.10 173.35 2occ s ILE 61 N 1.42 5.00 0.24 0.00 1.01 -1.26 -1.72 121.20 125.89 2occ s ILE 61 Ca 0.05 -1.97 -0.10 0.00 0.00 0.00 0.00 60.65 58.63 2occ s ILE 61 Cb -0.14 -4.72 0.33 0.00 0.01 0.00 0.00 42.46 37.93 2occ s ILE 61 CO -0.02 -1.41 1.60 0.00 0.00 0.00 0.00 174.94 175.11 2occ s GLU 63 N -6.22 1.20 0.03 0.00 2.02 -1.26 -5.06 118.70 109.40 2occ s GLU 63 Ca -0.14 -0.52 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 2occ s GLU 63 Cb 0.23 -1.15 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 2occ s GLU 63 CO 0.75 0.31 0.27 -1.91 0.02 0.00 0.00 175.26 174.71 2occ n GLU 64 N 2.75 -0.07 -1.31 1.61 2.13 -1.26 -1.11 120.64 123.38 2occ n GLU 64 Ca -0.14 0.27 -0.28 0.00 0.66 0.00 0.00 57.16 57.66 2occ n GLU 64 Cb 0.55 -0.39 0.12 0.00 0.27 0.00 0.00 31.44 31.98 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 -4.23 5.79 -4.76 4.31 8.00 -1.26 -4.99 116.55 119.41 2occ n ASP 65 Ca 0.01 -3.73 -0.39 0.00 0.71 0.00 0.00 54.79 51.38 2occ n ASP 65 Cb 0.05 -0.86 -0.06 0.00 -0.02 0.00 0.00 41.12 40.23 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 -1.83 7.48 0.09 -2.24 -0.87 -0.26 -4.97 114.94 112.33 2occ s ASN 66 Ca 0.60 2.01 0.23 0.00 -1.57 0.00 0.00 52.86 54.13 2occ s ASN 66 Cb 0.49 -2.61 0.05 0.00 -0.02 0.00 0.00 41.25 39.16 2occ s ASN 66 CO 0.03 0.03 1.03 -1.54 -2.57 0.00 0.00 177.10 174.08 2occ n SER 67 N 1.21 0.62 -4.38 -1.22 3.41 -1.26 -4.83 113.62 107.17 2occ n SER 67 Ca -0.01 -0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 2occ n SER 67 Cb 0.47 0.73 -0.14 0.00 -0.26 0.00 0.00 64.21 65.01 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 -3.26 3.45 0.09 6.66 2.01 -1.26 -5.10 115.64 118.23 2occ s THR 68 Ca 0.02 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.34 2occ s THR 68 Cb 0.13 -2.52 -0.07 0.00 0.01 0.00 0.00 72.50 70.05 2occ s THR 68 CO 0.80 0.47 0.57 -0.69 -0.69 0.00 0.00 174.62 175.08 2occ s VAL 69 N 0.85 4.74 -0.25 3.82 1.01 -1.26 -4.72 120.40 124.58 2occ s VAL 69 Ca -0.02 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.00 2occ s VAL 69 Cb -0.15 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2occ s VAL 69 CO 0.01 0.51 0.37 -0.63 0.00 0.00 0.00 175.10 175.36 2occ s ILE 70 N -1.16 5.19 -0.02 2.22 -1.09 -0.70 -4.87 121.20 120.77 2occ s ILE 70 Ca 0.30 0.59 0.01 0.00 -2.23 0.00 0.00 60.65 59.32 2occ s ILE 70 Cb -0.19 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2occ s ILE 70 CO 0.19 0.19 -0.00 0.26 -1.23 0.00 0.00 174.94 174.35 2occ s TRP 71 N 1.83 3.08 -0.15 3.97 0.52 -1.26 0.34 118.94 127.28 2occ s TRP 71 Ca 0.16 0.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.07 2occ s TRP 71 Cb -0.15 -1.69 0.13 0.00 -1.15 0.00 0.00 33.47 30.61 2occ s TRP 71 CO 0.09 0.46 1.04 -0.59 0.02 0.00 0.00 176.95 177.97 2occ s PHE 72 N -1.05 -0.30 0.10 -1.98 -0.71 -0.38 -4.98 117.98 108.68 2occ s PHE 72 Ca 0.18 0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 56.20 2occ s PHE 72 Cb -0.11 0.48 -0.06 0.00 -1.21 0.00 0.00 43.02 42.12 2occ s PHE 72 CO 0.09 -0.33 0.96 -1.58 -1.34 0.00 0.00 175.22 173.02 2occ s TRP 73 N -1.66 3.80 -0.24 3.49 0.52 -1.26 0.66 118.94 124.25 2occ s TRP 73 Ca 0.02 1.79 -0.07 0.00 0.02 0.00 0.00 56.10 57.86 2occ s TRP 73 Cb -0.01 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.22 2occ s TRP 73 CO -0.02 0.18 0.07 -1.17 0.02 0.00 0.00 176.95 176.03 2occ s LEU 74 N 0.08 3.51 0.26 2.99 0.20 0.08 -4.89 118.68 120.92 2occ s LEU 74 Ca 0.47 -0.16 0.06 0.00 0.69 0.00 0.00 54.13 55.19 2occ s LEU 74 Cb -0.23 -1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 43.57 2occ s LEU 74 CO 0.30 -0.00 0.35 -1.00 -0.29 0.00 0.00 176.35 175.70 2occ s HIS 75 N 1.44 3.30 0.17 5.38 3.76 -1.26 -1.69 115.29 126.39 2occ s HIS 75 Ca 0.06 -0.09 -0.32 0.00 -0.15 0.00 0.00 55.06 54.56 2occ s HIS 75 Cb -0.15 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.80 2occ s HIS 75 CO 0.04 0.36 1.61 0.21 -0.85 0.00 0.00 174.74 176.11 2occ s LYS 76 N -3.99 4.19 0.00 1.40 2.20 0.11 -4.48 119.74 119.16 2occ s LYS 76 Ca 0.36 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2occ s LYS 76 Cb -0.09 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 2occ s LYS 76 CO 0.29 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2occ n GLY 77 N 3.83 0.39 3.79 5.54 0.00 -1.26 -5.08 105.19 112.40 2occ n GLY 77 Ca 0.14 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 2.86 0.19 1.61 0.41 -1.26 -4.71 118.70 115.80 2occ s GLU 78 Ca 0.00 1.23 -0.33 0.00 -0.41 0.00 0.00 54.97 55.47 2occ s GLU 78 Cb 0.00 -1.97 -0.13 0.00 -1.78 0.00 0.00 34.13 30.25 2occ s GLU 78 CO 0.00 -1.18 1.64 0.00 -0.49 0.00 0.00 175.26 175.22 2occ n ALA 79 N -2.63 2.08 -2.82 5.21 0.00 -1.26 -4.87 120.51 116.22 2occ n ALA 79 Ca 0.09 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.73 2occ n ALA 79 Cb 0.53 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 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 0.91 2.93 0.11 0.00 -0.21 0.20 -4.88 119.66 118.72 2occ s GLN 80 Ca 0.76 -1.04 0.08 0.00 0.02 0.00 0.00 55.36 55.18 2occ s GLN 80 Cb -0.59 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 2occ s GLN 80 CO 0.36 0.41 -0.14 1.03 -2.12 0.00 0.00 175.29 174.82 2occ s ARG 81 N -3.80 1.94 0.12 2.91 0.52 -1.26 -0.51 118.95 118.87 2occ s ARG 81 Ca 0.33 -1.11 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 2occ s ARG 81 Cb -0.08 -2.20 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 2occ s ARG 81 CO 0.25 0.49 1.56 0.00 0.02 0.00 0.00 175.30 177.62 2occ h PRO 83 N 7.25 0.00 0.01 0.00 0.11 -1.96 0.39 132.00 137.79 2occ h PRO 83 Ca -0.42 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 2occ h PRO 83 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2occ h PRO 83 CO 0.91 0.00 -2.40 0.45 -0.21 0.00 0.00 178.00 176.75 2occ n SER 84 N -3.49 1.98 -0.15 -2.05 2.88 -1.26 -4.77 113.62 106.75 2occ n SER 84 Ca 0.05 0.11 0.02 0.00 -1.33 0.00 0.00 58.87 57.72 2occ n SER 84 Cb 0.56 -0.64 0.02 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.18 0.82 3.68 0.00 0.00 0.12 -4.92 105.19 105.07 2occ n GLY 86 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 2.21 -3.49 2.61 -1.04 -1.26 -4.40 114.28 106.91 2occ n THR 87 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 2occ n THR 87 Cb 0.00 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 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 -1.14 3.69 0.00 -1.42 0.09 0.17 -0.49 115.29 116.20 2occ s HIS 88 Ca 0.58 0.98 0.01 0.00 -0.00 0.00 0.00 55.06 56.62 2occ s HIS 88 Cb -0.56 -2.28 -0.00 0.00 -0.00 0.00 0.00 32.58 29.74 2occ s HIS 88 CO 0.60 0.60 -0.03 0.71 -0.00 0.00 0.00 174.74 176.62 2occ s TYR 89 N -1.18 0.24 -0.03 1.40 1.51 0.34 -0.89 117.35 118.74 2occ s TYR 89 Ca 0.27 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2occ s TYR 89 Cb -0.16 -0.16 0.02 0.00 -0.11 0.00 0.00 41.96 41.56 2occ s TYR 89 CO 0.15 -0.02 -0.00 0.21 -1.11 0.00 0.00 175.55 174.77 2occ s LYS 90 N -0.26 0.33 0.44 -0.62 2.20 0.45 -0.63 119.74 121.65 2occ s LYS 90 Ca -0.01 0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.41 2occ s LYS 90 Cb -0.02 -0.48 -0.08 0.00 -1.51 0.00 0.00 37.83 35.74 2occ s LYS 90 CO -0.00 -0.11 1.11 -1.17 -0.36 0.00 0.00 175.35 174.82 2occ s LEU 91 N 0.91 4.06 0.03 5.43 2.96 -1.26 -0.64 118.68 130.16 2occ s LEU 91 Ca -0.09 2.18 -0.03 0.00 -0.22 0.00 0.00 54.13 55.96 2occ s LEU 91 Cb -0.13 -4.23 -0.02 0.00 0.50 0.00 0.00 46.19 42.31 2occ s LEU 91 CO -0.01 -0.74 0.05 -0.69 -1.32 0.00 0.00 176.35 173.63 2occ s VAL 92 N -1.61 0.13 0.56 1.68 1.01 0.16 -4.83 120.40 117.49 2occ s VAL 92 Ca 0.61 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 2occ s VAL 92 Cb -0.25 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 2occ s VAL 92 CO 0.31 -0.58 1.01 -2.16 0.00 0.00 0.00 175.10 173.68 2occ s PRO 93 N -2.19 3.77 0.87 2.72 0.04 -1.26 -0.22 135.00 138.72 2occ s PRO 93 Ca -0.09 0.91 -0.08 0.00 0.04 0.00 0.00 61.00 61.79 2occ s PRO 93 Cb -0.04 -2.11 0.19 0.00 0.04 0.00 0.00 34.50 32.58 2occ s PRO 93 CO -0.03 -0.43 1.18 -1.58 0.04 0.00 0.00 177.00 176.19 2occ s HIS 94 N -2.79 1.26 0.34 0.56 2.46 0.29 -4.44 115.29 112.97 2occ s HIS 94 Ca 0.58 -0.10 0.08 0.00 0.47 0.00 0.00 55.06 56.09 2occ s HIS 94 Cb -0.11 -3.59 0.79 0.00 -0.13 0.00 0.00 32.58 29.54 2occ s HIS 94 CO 0.39 -2.33 1.83 -0.56 -2.47 0.00 0.00 174.74 171.60 2occ h GLN 95 N -1.16 0.70 -5.21 2.88 -0.00 -1.96 -3.37 115.11 107.00 2occ h GLN 95 Ca -0.39 -0.04 -0.66 0.00 -0.00 0.00 0.00 58.65 57.56 2occ h GLN 95 Cb 1.24 -0.16 -0.16 0.00 -0.00 0.00 0.00 27.48 28.40 2occ h GLN 95 CO 0.34 0.47 -0.02 -1.17 -0.00 0.00 0.00 178.83 178.45 2occ s LEU 96 N -9.97 4.57 -1.06 0.06 1.98 -1.26 -5.00 118.68 108.00 2occ s LEU 96 Ca -0.10 -0.36 -0.25 0.00 -2.89 0.00 0.00 54.13 50.52 2occ s LEU 96 Cb 0.23 -2.59 -0.17 0.00 0.66 0.00 0.00 46.19 44.32 2occ s LEU 96 CO 0.80 -0.65 2.09 0.00 -1.89 0.00 0.00 176.35 176.70 2occ s ALA 97 N 2.51 0.93 0.00 5.97 0.00 -1.26 -4.85 121.76 125.07 2occ s ALA 97 Ca 0.19 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2occ s ALA 97 Cb -0.15 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.30 2occ s ALA 97 CO 0.16 -6.21 0.00 0.72 0.00 0.00 0.00 175.76 170.43