#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n SER 2 N 0.00 1.50 0.00 0.00 2.88 -1.26 -5.11 113.62 111.63 1ocr n SER 2 Ca 0.00 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1ocr n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ocr n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ocr n GLY 3 N 3.75 0.55 5.54 0.46 0.00 -1.26 -5.15 105.19 109.07 1ocr n GLY 3 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ocr n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 4 N 0.00 -1.93 0.00 -0.02 0.00 -1.26 -5.03 105.19 96.96 1ocr n GLY 4 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1ocr n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocr n GLY 5 N 0.00 2.13 3.70 -0.02 0.00 -1.26 -5.09 105.19 104.66 1ocr n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ocr n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ocr s VAL 6 N -2.10 5.32 0.88 1.61 -7.23 -1.26 -5.06 120.40 112.55 1ocr s VAL 6 Ca 0.00 0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 60.50 1ocr s VAL 6 Cb 0.00 -3.59 0.13 0.00 0.56 0.00 0.00 36.38 33.47 1ocr s VAL 6 CO 0.00 0.36 1.14 -2.16 -0.31 0.00 0.00 175.10 174.13 1ocr s PRO 7 N 0.74 1.29 0.40 4.82 0.04 -1.26 -5.06 135.00 135.98 1ocr s PRO 7 Ca 0.13 1.48 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1ocr s PRO 7 Cb -0.13 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1ocr s PRO 7 CO 0.04 -2.42 0.29 0.95 0.04 0.00 0.00 177.00 175.90 1ocr s THR 8 N -2.69 2.68 0.12 1.26 -4.23 -1.26 -4.99 115.64 106.53 1ocr s THR 8 Ca 0.66 -1.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 1ocr s THR 8 Cb -0.22 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 1ocr s THR 8 CO 0.57 -0.04 1.62 0.44 -0.54 0.00 0.00 174.62 176.68 1ocr h ASP 9 N 1.22 0.55 -1.09 3.99 3.32 -1.97 -0.89 116.42 121.55 1ocr h ASP 9 Ca -0.42 -0.22 0.31 0.00 0.02 0.00 0.00 57.03 56.71 1ocr h ASP 9 Cb 1.26 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.61 1ocr h ASP 9 CO 0.62 0.63 0.77 -0.08 -1.72 0.00 0.00 179.24 179.45 1ocr h GLU 10 N 0.44 0.09 0.00 3.56 4.22 -1.96 0.39 114.58 121.32 1ocr h GLU 10 Ca 0.12 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.48 1ocr h GLU 10 Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1ocr h GLU 10 CO -0.00 0.06 -1.96 -0.85 -2.18 0.00 0.00 179.01 174.08 1ocr n GLU 11 N -4.30 0.68 -0.00 1.92 0.28 -0.90 -4.75 120.64 113.56 1ocr n GLU 11 Ca 0.24 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ocr n GLU 11 Cb 1.10 -1.46 -0.00 0.00 1.43 0.00 0.00 31.44 32.50 1ocr n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ocr n GLN 12 N -2.28 2.66 -1.83 3.44 7.27 -0.39 -4.98 117.38 121.28 1ocr n GLN 12 Ca -0.09 -0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.57 1ocr n GLN 12 Cb 0.62 -0.82 -0.01 0.00 2.41 0.00 0.00 30.24 32.44 1ocr n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ocr s ALA 13 N -1.65 3.68 0.15 1.69 0.00 0.05 -4.99 121.76 120.69 1ocr s ALA 13 Ca -0.00 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1ocr s ALA 13 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1ocr s ALA 13 CO 0.02 -0.96 0.04 -2.37 0.00 0.00 0.00 175.76 172.48 1ocr n THR 14 N 1.67 0.00 -1.29 0.00 5.66 -1.26 -4.64 114.28 114.42 1ocr n THR 14 Ca 0.06 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 1ocr n THR 14 Cb 0.38 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 1ocr n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ocr n GLY 15 N 1.76 1.18 0.30 1.09 0.00 -1.26 -1.32 105.19 106.94 1ocr n GLY 15 Ca -0.04 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.56 1ocr n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ocr h LEU 16 N 0.00 0.27 -0.20 0.99 5.85 -1.99 -1.29 115.31 118.95 1ocr h LEU 16 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ocr h LEU 16 Cb 0.00 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1ocr h LEU 16 CO 0.00 0.19 0.06 -0.08 -0.34 0.00 0.00 178.44 178.27 1ocr h GLU 17 N 0.32 0.14 -0.54 1.25 4.81 -1.91 0.19 114.58 118.84 1ocr h GLU 17 Ca 0.12 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1ocr h GLU 17 Cb 0.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1ocr h GLU 17 CO -0.02 0.09 0.16 -0.09 -0.73 0.00 0.00 179.01 178.42 1ocr h ARG 18 N 0.15 0.84 -0.39 1.92 2.43 -0.20 0.96 114.38 120.09 1ocr h ARG 18 Ca 0.09 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1ocr h ARG 18 Cb 0.06 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1ocr h ARG 18 CO -0.10 0.78 0.18 0.93 -1.51 0.00 0.00 179.97 180.24 1ocr h GLU 19 N 0.75 0.35 0.00 0.20 5.08 -0.60 0.52 114.58 120.88 1ocr h GLU 19 Ca 0.17 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1ocr h GLU 19 Cb 0.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ocr h GLU 19 CO -0.00 0.23 -0.53 -0.39 -1.00 0.00 0.00 179.01 177.32 1ocr h VAL 20 N 0.37 1.28 0.02 3.13 -1.51 -0.39 -0.21 116.25 118.94 1ocr h VAL 20 Ca 0.17 -1.89 -0.00 0.00 -1.23 0.00 0.00 66.70 63.75 1ocr h VAL 20 Cb 0.10 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1ocr h VAL 20 CO -0.14 0.52 -0.01 -0.03 -1.23 0.00 0.00 177.57 176.69 1ocr h MET 21 N 0.00 -0.03 0.14 5.19 1.85 0.92 -0.43 114.93 122.57 1ocr h MET 21 Ca -0.01 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1ocr h MET 21 Cb 1.01 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.04 1ocr h MET 21 CO 0.07 0.14 -0.07 -0.07 -0.40 0.00 0.00 176.91 176.59 1ocr h LEU 22 N -0.19 -0.16 -1.30 3.39 3.38 0.12 -2.93 115.31 117.61 1ocr h LEU 22 Ca -0.00 -0.25 0.18 0.00 0.09 0.00 0.00 57.88 57.90 1ocr h LEU 22 Cb 0.18 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1ocr h LEU 22 CO 0.00 0.17 0.60 0.00 0.09 0.00 0.00 178.44 179.30 1ocr h ALA 23 N 0.31 1.94 -0.16 1.53 0.00 -1.01 -0.95 119.26 120.93 1ocr h ALA 23 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ocr h ALA 23 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ocr h ALA 23 CO 0.03 -0.24 0.01 0.00 0.00 0.00 0.00 179.25 179.05 1ocr h ALA 24 N 1.61 1.72 -0.48 0.00 0.00 -0.88 -2.34 119.26 118.89 1ocr h ALA 24 Ca 0.49 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1ocr h ALA 24 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ocr h ALA 24 CO -0.24 0.21 -0.19 0.00 0.00 0.00 0.00 179.25 179.03 1ocr h ARG 25 N 0.22 0.95 0.00 0.00 3.08 -1.14 -2.86 114.38 114.64 1ocr h ARG 25 Ca 0.05 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1ocr h ARG 25 Cb 0.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ocr h ARG 25 CO 0.00 1.05 0.00 1.63 -1.07 0.00 0.00 179.97 181.59 1ocr n LYS 26 N -4.12 0.97 -1.00 0.04 5.02 -1.05 -4.87 118.16 113.15 1ocr n LYS 26 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ocr n LYS 26 Cb 0.44 -1.33 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1ocr n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ocr n GLY 27 N 0.78 0.49 3.96 0.72 0.00 -1.08 -5.05 105.19 105.01 1ocr n GLY 27 Ca 0.15 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1ocr n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ocr s GLN 28 N -0.15 3.26 -0.39 1.61 -0.21 -0.91 -5.01 119.66 117.85 1ocr s GLN 28 Ca 0.00 -0.60 0.10 0.00 0.02 0.00 0.00 55.36 54.87 1ocr s GLN 28 Cb 0.00 -2.70 0.31 0.00 1.00 0.00 0.00 33.01 31.62 1ocr s GLN 28 CO 0.00 0.04 0.70 -3.47 -2.12 0.00 0.00 175.29 170.44 1ocr n ASP 29 N -1.79 0.17 0.28 5.90 2.03 -1.26 -3.93 116.55 117.95 1ocr n ASP 29 Ca -0.02 -2.98 0.19 0.00 0.52 0.00 0.00 54.79 52.50 1ocr n ASP 29 Cb 0.57 -0.30 0.93 0.00 -0.72 0.00 0.00 41.12 41.61 1ocr n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ocr h PRO 30 N 3.38 0.00 -0.52 -0.67 0.13 -1.97 -2.92 132.00 129.42 1ocr h PRO 30 Ca 0.06 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.02 1ocr h PRO 30 Cb 0.95 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.98 1ocr h PRO 30 CO 0.45 0.00 0.13 0.66 -0.23 0.00 0.00 178.00 179.01 1ocr n TYR 31 N -2.89 1.72 -4.23 1.56 4.01 -1.26 -4.97 117.16 111.09 1ocr n TYR 31 Ca -0.01 -1.28 -0.30 0.00 -0.16 0.00 0.00 57.90 56.14 1ocr n TYR 31 Cb 0.14 -0.56 -0.08 0.00 -0.31 0.00 0.00 39.34 38.54 1ocr n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ocr n ASN 32 N -0.61 0.36 0.05 7.72 3.02 -1.10 -4.86 115.26 119.83 1ocr n ASN 32 Ca 0.35 -1.20 -0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1ocr n ASN 32 Cb 1.18 -2.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1ocr n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ocr h ILE 33 N -1.75 0.64 -2.63 2.41 2.04 -1.94 -3.47 117.51 112.82 1ocr h ILE 33 Ca -0.65 -2.12 -0.56 0.00 1.00 0.00 0.00 64.86 62.53 1ocr h ILE 33 Cb 1.39 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 39.57 1ocr h ILE 33 CO 0.70 0.36 -0.56 -0.76 0.00 0.00 0.00 178.15 177.89 1ocr s LEU 34 N -5.98 3.80 0.04 1.44 1.02 -1.26 -5.10 118.68 112.64 1ocr s LEU 34 Ca -0.01 -0.15 -0.24 0.00 0.02 0.00 0.00 54.13 53.75 1ocr s LEU 34 Cb 0.08 -2.40 -0.06 0.00 0.02 0.00 0.00 46.19 43.84 1ocr s LEU 34 CO 0.80 0.05 0.71 0.00 0.02 0.00 0.00 176.35 177.93 1ocr s ALA 35 N -1.81 3.41 0.26 4.21 0.00 -1.26 -5.03 121.76 121.55 1ocr s ALA 35 Ca 0.31 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 1ocr s ALA 35 Cb -0.10 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 1ocr s ALA 35 CO 0.24 0.11 1.16 -2.14 0.00 0.00 0.00 175.76 175.13 1ocr s PRO 36 N -0.17 4.56 0.12 0.00 0.02 -1.26 -5.03 135.00 133.24 1ocr s PRO 36 Ca 0.36 1.89 -0.25 0.00 0.02 0.00 0.00 61.00 63.02 1ocr s PRO 36 Cb -0.20 -3.18 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 1ocr s PRO 36 CO 0.21 0.07 0.77 0.15 -0.33 0.00 0.00 177.00 177.87 1ocr s LYS 37 N -1.19 4.53 0.48 5.54 -0.14 -1.26 -5.05 119.74 122.65 1ocr s LYS 37 Ca 0.47 1.11 -0.15 0.00 -1.36 0.00 0.00 55.97 56.04 1ocr s LYS 37 Cb -0.33 -3.29 -0.08 0.00 -1.68 0.00 0.00 37.83 32.45 1ocr s LYS 37 CO 0.42 0.48 0.92 0.00 -0.76 0.00 0.00 175.35 176.41 1ocr s ALA 38 N -0.79 3.15 0.00 5.17 0.00 -1.26 -4.99 121.76 123.04 1ocr s ALA 38 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1ocr s ALA 38 Cb -0.22 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1ocr s ALA 38 CO 0.25 -0.14 0.00 0.25 0.00 0.00 0.00 175.76 176.12 1ocr n THR 39 N -1.42 0.00 0.57 0.00 -2.24 -1.26 -4.99 114.28 104.94 1ocr n THR 39 Ca 0.05 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1ocr n THR 39 Cb 0.54 -0.61 0.32 0.00 -2.10 0.00 0.00 70.33 68.48 1ocr n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ocr h SER 40 N 0.00 0.00 -0.39 3.42 4.64 -1.91 -3.48 113.55 115.84 1ocr h SER 40 Ca 0.00 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 1ocr h SER 40 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1ocr h SER 40 CO 0.00 0.03 -0.15 0.61 -0.87 0.00 0.00 176.83 176.44 1ocr n GLY 41 N 1.30 0.96 3.92 -0.77 0.00 -0.32 -4.90 105.19 105.38 1ocr n GLY 41 Ca 0.05 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1ocr n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ocr s THR 42 N -2.14 1.98 0.32 2.61 -4.23 -1.11 0.08 115.64 113.14 1ocr s THR 42 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1ocr s THR 42 Cb 0.00 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.91 1ocr s THR 42 CO 0.00 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.32 1ocr h LYS 43 N -1.81 0.00 0.00 3.99 3.64 -1.95 -2.63 116.57 117.81 1ocr h LYS 43 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1ocr h LYS 43 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ocr h LYS 43 CO 0.32 0.46 -1.09 -0.85 -2.27 0.00 0.00 179.45 176.02 1ocr n GLU 44 N -3.94 0.47 -3.15 1.90 0.00 -1.26 -4.39 120.64 110.26 1ocr n GLU 44 Ca -0.01 0.04 -0.22 0.00 0.00 0.00 0.00 57.16 56.96 1ocr n GLU 44 Cb 0.49 -1.69 -0.04 0.00 0.00 0.00 0.00 31.44 30.19 1ocr n GLU 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ocr n ASP 45 N -2.31 1.78 -4.82 -1.84 2.03 -1.17 -5.11 116.55 105.10 1ocr n ASP 45 Ca 0.01 -3.14 -0.31 0.00 0.52 0.00 0.00 54.79 51.87 1ocr n ASP 45 Cb 0.50 -0.62 0.05 0.00 -0.72 0.00 0.00 41.12 40.34 1ocr n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ocr s PRO 46 N -2.42 2.93 0.04 -0.67 0.04 -1.00 -1.18 135.00 132.74 1ocr s PRO 46 Ca 0.41 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1ocr s PRO 46 Cb 0.28 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1ocr s PRO 46 CO -0.09 -1.10 1.18 -0.80 0.04 0.00 0.00 177.00 176.23 1ocr s ASN 47 N -3.83 7.10 -0.45 6.66 0.01 0.10 -4.79 114.94 119.74 1ocr s ASN 47 Ca 0.58 1.96 -0.20 0.00 -0.71 0.00 0.00 52.86 54.49 1ocr s ASN 47 Cb -0.14 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 38.97 1ocr s ASN 47 CO 0.55 -0.47 0.62 -0.76 -1.51 0.00 0.00 177.10 175.53 1ocr s LEU 48 N 1.25 4.58 -0.49 0.60 1.43 -1.26 0.13 118.68 124.91 1ocr s LEU 48 Ca 0.58 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1ocr s LEU 48 Cb -0.28 -2.66 0.07 0.00 0.03 0.00 0.00 46.19 43.34 1ocr s LEU 48 CO 0.28 -0.78 0.50 -0.69 0.23 0.00 0.00 176.35 175.89 1ocr s VAL 49 N 2.75 5.07 0.31 -1.59 1.01 0.50 -4.93 120.40 123.53 1ocr s VAL 49 Ca 0.21 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1ocr s VAL 49 Cb -0.15 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1ocr s VAL 49 CO 0.18 -0.70 1.20 -2.84 0.00 0.00 0.00 175.10 172.94 1ocr s PRO 50 N 2.08 4.46 -0.04 2.72 0.02 -1.26 -1.02 135.00 141.96 1ocr s PRO 50 Ca 0.09 2.00 -0.11 0.00 0.02 0.00 0.00 61.00 62.99 1ocr s PRO 50 Cb -0.22 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.23 1ocr s PRO 50 CO 0.09 -0.02 0.26 0.45 -0.33 0.00 0.00 177.00 177.44 1ocr s SER 51 N -0.72 -0.17 0.00 2.53 0.15 0.14 -4.79 113.70 110.83 1ocr s SER 51 Ca 0.48 0.17 0.21 0.00 0.70 0.00 0.00 55.95 57.50 1ocr s SER 51 Cb -0.35 0.37 0.56 0.00 -1.71 0.00 0.00 66.02 64.89 1ocr s SER 51 CO 0.46 -0.31 1.45 0.00 1.20 0.00 0.00 173.24 176.04 1ocr n ILE 52 N 1.85 0.41 -2.63 6.45 3.06 -1.26 -0.00 119.36 127.24 1ocr n ILE 52 Ca -0.19 -0.56 0.00 0.00 -2.50 0.00 0.00 62.75 59.50 1ocr n ILE 52 Cb 0.57 0.60 0.00 0.00 0.54 0.00 0.00 39.64 41.34 1ocr n ILE 52 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1ocr n THR 53 N 0.90 0.00 -0.68 9.51 -1.04 -1.26 -3.79 114.28 117.92 1ocr n THR 53 Ca 0.17 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.26 1ocr n THR 53 Cb 0.45 0.00 0.29 0.00 -1.82 0.00 0.00 70.33 69.25 1ocr n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ocr n ASN 54 N 0.00 4.19 -3.63 8.00 6.94 -1.26 -4.95 115.26 124.56 1ocr n ASN 54 Ca 0.00 -2.59 -0.09 0.00 -0.02 0.00 0.00 54.58 51.87 1ocr n ASN 54 Cb 0.00 -0.50 -0.07 0.00 -2.36 0.00 0.00 39.78 36.85 1ocr n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ocr s LYS 55 N -2.09 0.50 0.01 -3.83 -2.85 -1.26 -1.12 119.74 109.10 1ocr s LYS 55 Ca 0.43 0.51 -0.00 0.00 -1.00 0.00 0.00 55.97 55.90 1ocr s LYS 55 Cb 0.30 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1ocr s LYS 55 CO 0.17 -0.08 -0.02 0.50 0.10 0.00 0.00 175.35 176.02 1ocr s ARG 56 N 0.01 0.19 0.15 1.78 3.52 -0.79 -4.93 118.95 118.88 1ocr s ARG 56 Ca 0.03 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 1ocr s ARG 56 Cb -0.04 0.07 -0.07 0.00 -1.56 0.00 0.00 34.95 33.35 1ocr s ARG 56 CO -0.05 -0.03 0.98 0.42 -0.81 0.00 0.00 175.30 175.81 1ocr s ILE 57 N -0.87 4.29 -0.04 4.11 1.01 -1.26 -0.48 121.20 127.96 1ocr s ILE 57 Ca -0.10 2.00 0.05 0.00 0.00 0.00 0.00 60.65 62.61 1ocr s ILE 57 Cb -0.06 -4.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 1ocr s ILE 57 CO -0.01 0.35 -0.18 -0.69 0.00 0.00 0.00 174.94 174.42 1ocr s VAL 58 N -0.32 2.72 -0.17 2.92 1.01 0.33 -4.91 120.40 121.98 1ocr s VAL 58 Ca 0.46 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ocr s VAL 58 Cb -0.25 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1ocr s VAL 58 CO 0.31 0.58 -0.20 -0.83 0.00 0.00 0.00 175.10 174.96 1ocr s GLY 59 N -0.70 1.38 -0.27 4.51 0.00 -1.25 -0.73 107.32 110.25 1ocr s GLY 59 Ca 0.11 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.57 1ocr s GLY 59 CO 0.00 0.21 0.06 0.00 0.00 0.00 0.00 173.10 173.38 1ocr s ILE 61 N 1.52 4.84 0.33 0.00 1.01 -1.26 -1.53 121.20 126.11 1ocr s ILE 61 Ca 0.04 -1.97 0.12 0.00 0.00 0.00 0.00 60.65 58.84 1ocr s ILE 61 Cb -0.16 -4.83 0.33 0.00 0.01 0.00 0.00 42.46 37.80 1ocr s ILE 61 CO 0.02 -1.55 1.66 0.00 0.00 0.00 0.00 174.94 175.07 1ocr s GLU 63 N -5.71 0.10 0.04 0.00 2.02 -1.26 -5.06 118.70 108.83 1ocr s GLU 63 Ca -0.10 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.76 1ocr s GLU 63 Cb 0.29 -0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.48 1ocr s GLU 63 CO 0.79 0.02 0.29 -1.91 0.02 0.00 0.00 175.26 174.46 1ocr n GLU 64 N 2.94 -0.06 -1.34 1.61 2.13 -1.26 -1.14 120.64 123.51 1ocr n GLU 64 Ca -0.13 0.29 -0.27 0.00 0.66 0.00 0.00 57.16 57.70 1ocr n GLU 64 Cb 0.59 -0.42 0.11 0.00 0.27 0.00 0.00 31.44 31.99 1ocr n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ocr n ASP 65 N -4.26 5.80 -4.80 4.31 8.00 -1.26 -4.98 116.55 119.37 1ocr n ASP 65 Ca 0.01 -3.74 -0.37 0.00 0.71 0.00 0.00 54.79 51.40 1ocr n ASP 65 Cb 0.07 -0.82 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 1ocr n ASP 65 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1ocr s ASN 66 N -2.03 7.21 0.04 -2.24 -0.87 -0.30 -4.96 114.94 111.80 1ocr s ASN 66 Ca 0.59 1.63 0.19 0.00 -1.57 0.00 0.00 52.86 53.70 1ocr s ASN 66 Cb 0.48 -2.50 -0.15 0.00 -0.02 0.00 0.00 41.25 39.05 1ocr s ASN 66 CO 0.03 -0.01 0.73 -1.20 -2.57 0.00 0.00 177.10 174.07 1ocr n SER 67 N 0.67 0.63 -4.65 -1.22 7.64 -1.26 -4.86 113.62 110.57 1ocr n SER 67 Ca -0.00 0.27 -0.35 0.00 1.01 0.00 0.00 58.87 59.79 1ocr n SER 67 Cb 0.50 0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 1ocr n SER 67 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ocr s THR 68 N -3.05 4.98 -0.07 0.44 2.01 -1.26 -5.08 115.64 113.62 1ocr s THR 68 Ca -0.04 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1ocr s THR 68 Cb 0.09 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1ocr s THR 68 CO 0.82 0.43 0.29 -0.69 -0.69 0.00 0.00 174.62 174.78 1ocr s VAL 69 N 0.57 5.25 -0.29 3.82 1.01 -1.26 -4.71 120.40 124.78 1ocr s VAL 69 Ca 0.05 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1ocr s VAL 69 Cb -0.12 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1ocr s VAL 69 CO 0.01 0.57 0.52 -0.63 0.00 0.00 0.00 175.10 175.56 1ocr s ILE 70 N -0.85 5.04 -0.11 2.22 -1.09 -0.59 -4.86 121.20 120.97 1ocr s ILE 70 Ca 0.19 0.69 -0.04 0.00 -2.23 0.00 0.00 60.65 59.26 1ocr s ILE 70 Cb -0.14 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1ocr s ILE 70 CO 0.09 -0.03 0.06 0.26 -1.23 0.00 0.00 174.94 174.09 1ocr s TRP 71 N 2.36 3.35 -0.07 3.97 0.52 -1.26 0.31 118.94 128.11 1ocr s TRP 71 Ca 0.20 0.32 -0.30 0.00 0.02 0.00 0.00 56.10 56.35 1ocr s TRP 71 Cb -0.15 -1.88 0.10 0.00 -1.15 0.00 0.00 33.47 30.39 1ocr s TRP 71 CO 0.11 0.55 0.85 -0.59 0.02 0.00 0.00 176.95 177.89 1ocr s PHE 72 N -0.82 -0.47 -0.14 -1.98 -0.71 0.09 -4.97 117.98 108.97 1ocr s PHE 72 Ca 0.13 0.69 -0.26 0.00 -1.04 0.00 0.00 56.93 56.45 1ocr s PHE 72 Cb -0.12 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 1ocr s PHE 72 CO 0.03 -0.50 0.85 -1.58 -1.34 0.00 0.00 175.22 172.68 1ocr s TRP 73 N -1.69 3.46 -0.16 3.49 0.52 -1.26 0.12 118.94 123.42 1ocr s TRP 73 Ca -0.03 1.33 -0.15 0.00 0.02 0.00 0.00 56.10 57.26 1ocr s TRP 73 Cb -0.00 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 1ocr s TRP 73 CO 0.01 -0.20 0.34 -1.17 0.02 0.00 0.00 176.95 175.95 1ocr s LEU 74 N 1.97 4.24 0.24 2.99 0.20 0.37 -4.93 118.68 123.75 1ocr s LEU 74 Ca 0.40 0.57 0.08 0.00 0.69 0.00 0.00 54.13 55.87 1ocr s LEU 74 Cb -0.17 -2.45 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 1ocr s LEU 74 CO 0.14 0.06 0.07 -1.00 -0.29 0.00 0.00 176.35 175.33 1ocr s HIS 75 N 0.60 2.89 0.10 5.38 3.76 -1.26 -1.89 115.29 124.87 1ocr s HIS 75 Ca 0.19 -0.15 -0.31 0.00 -0.15 0.00 0.00 55.06 54.63 1ocr s HIS 75 Cb -0.14 -1.32 -0.09 0.00 1.11 0.00 0.00 32.58 32.14 1ocr s HIS 75 CO 0.06 0.56 1.65 0.21 -0.85 0.00 0.00 174.74 176.37 1ocr s LYS 76 N -3.54 4.19 0.00 1.40 2.20 -0.28 -4.41 119.74 119.31 1ocr s LYS 76 Ca 0.31 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1ocr s LYS 76 Cb -0.08 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1ocr s LYS 76 CO 0.21 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1ocr n GLY 77 N 3.96 0.22 3.89 5.54 0.00 -1.26 -5.07 105.19 112.48 1ocr n GLY 77 Ca 0.16 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1ocr n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ocr s GLU 78 N -2.00 2.80 0.24 1.61 2.02 -1.26 -4.74 118.70 117.37 1ocr s GLU 78 Ca 0.00 0.30 -0.31 0.00 0.02 0.00 0.00 54.97 54.98 1ocr s GLU 78 Cb 0.00 -2.09 -0.11 0.00 0.10 0.00 0.00 34.13 32.03 1ocr s GLU 78 CO 0.00 -0.99 1.61 0.00 0.02 0.00 0.00 175.26 175.91 1ocr s ALA 79 N -3.27 3.80 0.26 5.21 0.00 -1.26 -4.85 121.76 121.65 1ocr s ALA 79 Ca 0.57 1.51 0.08 0.00 0.00 0.00 0.00 51.96 54.12 1ocr s ALA 79 Cb -0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1ocr s ALA 79 CO 0.50 -0.90 0.17 -0.65 0.00 0.00 0.00 175.76 174.87 1ocr s GLN 80 N 0.37 2.78 0.14 0.00 -0.21 -0.57 -4.89 119.66 117.28 1ocr s GLN 80 Ca 0.68 -1.15 0.09 0.00 0.02 0.00 0.00 55.36 55.00 1ocr s GLN 80 Cb -0.47 -2.47 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 1ocr s GLN 80 CO 0.39 0.36 -0.15 1.03 -2.12 0.00 0.00 175.29 174.81 1ocr s ARG 81 N -3.82 1.89 0.17 2.91 0.52 -1.26 -0.82 118.95 118.55 1ocr s ARG 81 Ca 0.33 -1.22 -0.31 0.00 -0.52 0.00 0.00 55.73 54.01 1ocr s ARG 81 Cb -0.07 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.17 1ocr s ARG 81 CO 0.24 0.46 1.52 0.00 0.02 0.00 0.00 175.30 177.55 1ocr h PRO 83 N 6.49 0.00 0.00 0.00 0.11 -1.97 0.14 132.00 136.78 1ocr h PRO 83 Ca -0.43 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.26 1ocr h PRO 83 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1ocr h PRO 83 CO 0.88 0.00 -2.48 0.45 -0.21 0.00 0.00 178.00 176.64 1ocr n SER 84 N -2.79 1.96 -0.07 -2.05 2.88 -1.26 -4.79 113.62 107.51 1ocr n SER 84 Ca -0.02 0.12 0.04 0.00 -1.33 0.00 0.00 58.87 57.68 1ocr n SER 84 Cb 0.13 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 1ocr n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ocr n GLY 86 N 1.05 0.88 3.68 0.00 0.00 0.48 -4.90 105.19 106.38 1ocr n GLY 86 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ocr n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ocr n THR 87 N -2.04 2.49 -3.51 2.61 -1.04 -1.26 -4.37 114.28 107.16 1ocr n THR 87 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 1ocr n THR 87 Cb 0.00 -1.49 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 1ocr n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ocr s HIS 88 N -1.20 3.72 -0.01 -1.42 0.09 0.11 -0.42 115.29 116.17 1ocr s HIS 88 Ca 0.61 0.98 0.02 0.00 -0.00 0.00 0.00 55.06 56.66 1ocr s HIS 88 Cb -0.53 -2.28 -0.00 0.00 -0.00 0.00 0.00 32.58 29.77 1ocr s HIS 88 CO 0.58 0.64 -0.05 0.71 -0.00 0.00 0.00 174.74 176.62 1ocr s TYR 89 N -1.03 0.49 -0.05 1.40 2.02 -0.00 -0.72 117.35 119.45 1ocr s TYR 89 Ca 0.23 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1ocr s TYR 89 Cb -0.16 -0.33 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 1ocr s TYR 89 CO 0.13 -0.02 -0.05 0.21 -1.57 0.00 0.00 175.55 174.25 1ocr s LYS 90 N -0.03 0.91 0.61 -0.62 2.20 0.12 -1.51 119.74 121.42 1ocr s LYS 90 Ca 0.01 -0.12 -0.17 0.00 -0.36 0.00 0.00 55.97 55.33 1ocr s LYS 90 Cb -0.03 -0.92 -0.02 0.00 -1.51 0.00 0.00 37.83 35.34 1ocr s LYS 90 CO -0.00 -0.09 1.13 -1.17 -0.36 0.00 0.00 175.35 174.85 1ocr s LEU 91 N 0.99 3.55 -0.00 5.43 2.96 -1.26 -0.37 118.68 129.98 1ocr s LEU 91 Ca -0.10 2.11 -0.17 0.00 -0.22 0.00 0.00 54.13 55.75 1ocr s LEU 91 Cb -0.14 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.01 1ocr s LEU 91 CO -0.00 -1.48 0.36 -0.69 -1.32 0.00 0.00 176.35 173.22 1ocr s VAL 92 N -2.05 0.05 0.24 1.68 1.01 -0.19 -4.79 120.40 116.37 1ocr s VAL 92 Ca 0.70 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1ocr s VAL 92 Cb -0.23 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.32 1ocr s VAL 92 CO 0.35 -0.25 1.20 -2.16 0.00 0.00 0.00 175.10 174.25 1ocr s PRO 93 N -1.63 4.50 0.80 2.72 0.04 -1.26 0.23 135.00 140.40 1ocr s PRO 93 Ca -0.11 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1ocr s PRO 93 Cb -0.03 -3.19 0.07 0.00 0.04 0.00 0.00 34.50 31.39 1ocr s PRO 93 CO 0.03 -0.03 1.09 -1.58 0.04 0.00 0.00 177.00 176.55 1ocr s HIS 94 N -0.59 2.73 0.64 0.56 2.46 0.99 -4.56 115.29 117.52 1ocr s HIS 94 Ca 0.50 1.27 0.38 0.00 0.47 0.00 0.00 55.06 57.68 1ocr s HIS 94 Cb -0.34 -3.08 2.13 0.00 -0.13 0.00 0.00 32.58 31.16 1ocr s HIS 94 CO 0.41 -1.83 2.28 1.96 -2.47 0.00 0.00 174.74 175.09 1ocr h GLN 95 N -1.14 0.00 -0.52 2.88 7.50 -1.96 -2.57 115.11 119.30 1ocr h GLN 95 Ca -0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.68 1ocr h GLN 95 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.79 1ocr h GLN 95 CO 0.57 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 179.18 1ocr n LEU 96 N -3.35 2.74 -4.14 1.46 7.99 -1.26 -4.99 117.00 115.45 1ocr n LEU 96 Ca -0.02 -1.38 -0.32 0.00 -0.01 0.00 0.00 56.01 54.28 1ocr n LEU 96 Cb 0.12 -0.38 -0.05 0.00 -0.11 0.00 0.00 43.42 43.01 1ocr n LEU 96 CO 0.22 0.56 -0.34 0.00 -1.51 0.00 0.00 177.39 176.33 1ocr n ALA 97 N 0.68 -2.14 -0.62 -1.18 0.00 -0.97 -5.12 120.51 111.15 1ocr n ALA 97 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ocr n ALA 97 Cb 0.49 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ocr n ALA 97 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22