#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr s VAL 5 N 0.00 4.94 0.36 0.44 1.01 -1.26 -5.03 120.40 120.87 1ocr s VAL 5 Ca 0.00 0.98 -0.12 0.00 0.00 0.00 0.00 61.98 62.84 1ocr s VAL 5 Cb 0.00 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1ocr s VAL 5 CO 0.00 -0.10 0.74 -0.69 0.00 0.00 0.00 175.10 175.05 1ocr s VAL 6 N 2.61 4.76 -0.00 2.92 1.01 -1.26 -5.09 120.40 125.35 1ocr s VAL 6 Ca 0.26 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1ocr s VAL 6 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1ocr s VAL 6 CO 0.11 -0.38 -0.17 -0.54 0.00 0.00 0.00 175.10 174.13 1ocr s LYS 7 N -3.49 1.30 0.30 2.72 1.02 -1.26 -5.05 119.74 115.28 1ocr s LYS 7 Ca 0.52 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1ocr s LYS 7 Cb -0.10 -1.27 0.79 0.00 -0.52 0.00 0.00 37.83 36.72 1ocr s LYS 7 CO 0.26 0.35 1.72 0.77 -0.92 0.00 0.00 175.35 177.52 1ocr h SER 8 N 5.61 0.53 0.34 2.83 0.02 -2.04 -0.94 113.55 119.91 1ocr h SER 8 Ca -0.37 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1ocr h SER 8 Cb 1.16 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ocr h SER 8 CO 0.48 0.08 0.00 -1.84 -1.14 0.00 0.00 176.83 174.40 1ocr n GLU 9 N -4.94 0.06 -0.54 3.45 0.28 -1.26 -2.44 120.64 115.24 1ocr n GLU 9 Ca 0.24 0.25 -0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1ocr n GLU 9 Cb 0.68 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 32.25 1ocr n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ocr n ASP 10 N -1.43 3.57 0.18 -1.84 8.00 -0.36 -4.37 116.55 120.31 1ocr n ASP 10 Ca 0.04 -2.60 0.07 0.00 0.71 0.00 0.00 54.79 53.00 1ocr n ASP 10 Cb 0.12 -0.62 0.57 0.00 -0.02 0.00 0.00 41.12 41.17 1ocr n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1ocr h TYR 11 N 1.81 0.16 -0.00 1.24 -0.00 -1.67 -1.14 116.97 117.36 1ocr h TYR 11 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 1ocr h TYR 11 Cb 1.49 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 38.17 1ocr h TYR 11 CO 0.67 0.10 -0.06 0.00 -0.00 0.00 0.00 178.16 178.87 1ocr n ALA 12 N -2.52 2.68 -2.92 0.10 0.00 -1.26 -4.84 120.51 111.75 1ocr n ALA 12 Ca -0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 1ocr n ALA 12 Cb 0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1ocr n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ocr s LEU 13 N -2.38 4.17 0.57 0.00 1.43 -0.43 -5.07 118.68 116.97 1ocr s LEU 13 Ca 0.33 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 1ocr s LEU 13 Cb 0.20 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1ocr s LEU 13 CO 0.44 -0.04 1.35 -2.84 0.23 0.00 0.00 176.35 175.49 1ocr s PRO 14 N -3.84 2.99 0.16 1.29 0.02 -1.26 -5.02 135.00 129.35 1ocr s PRO 14 Ca 0.34 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.63 1ocr s PRO 14 Cb -0.09 -2.16 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 1ocr s PRO 14 CO 0.28 -1.29 -0.16 -1.54 -0.33 0.00 0.00 177.00 173.95 1ocr s SER 15 N -1.05 2.42 0.26 2.53 1.04 -1.26 -4.95 113.70 112.70 1ocr s SER 15 Ca 0.74 -0.87 -0.22 0.00 0.48 0.00 0.00 55.95 56.08 1ocr s SER 15 Cb -0.40 -0.12 -0.09 0.00 0.10 0.00 0.00 66.02 65.51 1ocr s SER 15 CO 0.46 -0.10 0.81 -0.47 0.98 0.00 0.00 173.24 174.92 1ocr s TYR 16 N -2.24 3.65 -0.21 5.02 5.04 -1.26 -4.32 117.35 123.04 1ocr s TYR 16 Ca 0.14 1.53 -0.21 0.00 -2.44 0.00 0.00 57.07 56.10 1ocr s TYR 16 Cb -0.05 -2.73 0.06 0.00 0.35 0.00 0.00 41.96 39.59 1ocr s TYR 16 CO 0.05 0.28 0.58 0.54 -1.34 0.00 0.00 175.55 175.66 1ocr s VAL 17 N -1.58 0.00 -0.32 3.14 0.11 -1.26 -5.08 120.40 115.41 1ocr s VAL 17 Ca 0.46 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.44 1ocr s VAL 17 Cb -0.17 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1ocr s VAL 17 CO 0.22 -0.01 0.09 -1.81 -3.33 0.00 0.00 175.10 170.26 1ocr s ASP 18 N 0.21 5.21 -0.23 3.54 1.01 -1.26 -4.57 116.67 120.58 1ocr s ASP 18 Ca -0.01 -1.03 -0.12 0.00 0.71 0.00 0.00 52.55 52.10 1ocr s ASP 18 Cb -0.04 -1.86 0.08 0.00 1.01 0.00 0.00 42.92 42.11 1ocr s ASP 18 CO 0.01 -0.28 0.56 0.00 0.21 0.00 0.00 175.17 175.67 1ocr s ARG 19 N 1.42 0.56 0.45 8.23 1.70 -1.26 -5.05 118.95 125.00 1ocr s ARG 19 Ca -0.01 1.06 0.33 0.00 -0.47 0.00 0.00 55.73 56.65 1ocr s ARG 19 Cb -0.19 0.13 1.49 0.00 -0.57 0.00 0.00 34.95 35.81 1ocr s ARG 19 CO 0.02 -0.16 1.60 0.00 -1.08 0.00 0.00 175.30 175.68 1ocr h ARG 20 N 7.18 0.04 -0.49 3.89 3.08 -1.97 0.29 114.38 126.40 1ocr h ARG 20 Ca -0.31 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1ocr h ARG 20 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1ocr h ARG 20 CO 0.21 0.03 0.00 -0.40 -1.07 0.00 0.00 179.97 178.73 1ocr n ASP 21 N -4.63 2.63 -2.97 7.04 5.75 -1.26 -4.17 116.55 118.94 1ocr n ASP 21 Ca 0.39 -2.00 -0.15 0.00 -0.01 0.00 0.00 54.79 53.02 1ocr n ASP 21 Cb 1.54 -0.33 0.01 0.00 -1.03 0.00 0.00 41.12 41.31 1ocr n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ocr n TYR 22 N 0.93 -1.66 -0.17 2.11 9.36 0.10 -5.02 117.16 122.81 1ocr n TYR 22 Ca 0.16 -2.78 0.08 0.00 3.32 0.00 0.00 57.90 58.69 1ocr n TYR 22 Cb 0.42 0.60 0.39 0.00 -0.63 0.00 0.00 39.34 40.12 1ocr n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1ocr h PRO 23 N 3.62 0.65 -3.81 2.98 0.13 -1.71 -3.35 132.00 130.50 1ocr h PRO 23 Ca -0.02 -0.04 -0.71 0.00 -0.87 0.00 0.00 66.00 64.35 1ocr h PRO 23 Cb 0.99 -0.15 -0.33 0.00 0.13 0.00 0.00 31.00 31.64 1ocr h PRO 23 CO 0.36 0.43 -0.31 -0.51 -0.23 0.00 0.00 178.00 177.74 1ocr s LEU 24 N -9.63 5.54 0.96 1.56 1.43 -1.26 -4.95 118.68 112.33 1ocr s LEU 24 Ca -0.09 -2.63 -0.13 0.00 -1.03 0.00 0.00 54.13 50.25 1ocr s LEU 24 Cb 0.20 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1ocr s LEU 24 CO 0.77 -0.46 0.39 -2.65 0.23 0.00 0.00 176.35 174.63 1ocr n PRO 25 N 3.85 -0.33 0.06 1.29 -0.02 -1.26 -4.88 135.00 133.71 1ocr n PRO 25 Ca 0.06 -0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1ocr n PRO 25 Cb 0.40 -1.85 0.42 0.00 -0.02 0.00 0.00 33.50 32.45 1ocr n PRO 25 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ocr n ASP 26 N -1.34 0.33 -3.84 2.55 8.00 -1.26 -4.79 116.55 116.20 1ocr n ASP 26 Ca 0.06 0.57 -0.12 0.00 0.71 0.00 0.00 54.79 56.02 1ocr n ASP 26 Cb 0.54 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 1ocr n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ocr s VAL 27 N -3.13 0.07 0.43 2.53 1.01 -1.26 -4.97 120.40 115.07 1ocr s VAL 27 Ca 0.07 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1ocr s VAL 27 Cb 0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.94 1ocr s VAL 27 CO 0.37 -0.31 1.13 0.00 0.00 0.00 0.00 175.10 176.28 1ocr s ALA 28 N -1.23 3.05 0.22 5.51 0.00 -1.26 -4.71 121.76 123.33 1ocr s ALA 28 Ca -0.13 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1ocr s ALA 28 Cb -0.06 -3.35 0.26 0.00 0.00 0.00 0.00 23.12 19.97 1ocr s ALA 28 CO 0.02 -0.49 1.83 1.25 0.00 0.00 0.00 175.76 178.37 1ocr h HIS 29 N 2.33 0.80 -3.54 0.00 2.76 -0.79 -3.40 115.15 113.31 1ocr h HIS 29 Ca -0.49 0.03 -0.67 0.00 -2.20 0.00 0.00 60.37 57.04 1ocr h HIS 29 Cb 1.23 -0.25 -0.26 0.00 1.55 0.00 0.00 27.41 29.68 1ocr h HIS 29 CO 0.55 0.41 -0.66 0.08 -1.30 0.00 0.00 177.93 177.00 1ocr s VAL 30 N -6.09 3.76 -0.12 5.26 1.01 -0.67 0.85 120.40 124.39 1ocr s VAL 30 Ca -0.13 -0.56 0.17 0.00 0.00 0.00 0.00 61.98 61.46 1ocr s VAL 30 Cb 0.17 -2.84 -0.20 0.00 0.00 0.00 0.00 36.38 33.51 1ocr s VAL 30 CO 0.77 0.24 0.56 0.29 0.00 0.00 0.00 175.10 176.97 1ocr n LYS 31 N 4.84 0.64 -3.73 2.72 4.01 -1.26 -4.84 118.16 120.55 1ocr n LYS 31 Ca -0.16 0.12 -0.38 0.00 -0.51 0.00 0.00 58.31 57.38 1ocr n LYS 31 Cb 0.49 -1.70 -0.12 0.00 -0.51 0.00 0.00 35.03 33.19 1ocr n LYS 31 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1ocr s ASN 32 N -5.60 5.37 0.04 4.39 0.01 -1.26 -5.08 114.94 112.82 1ocr s ASN 32 Ca -0.06 -1.10 -0.15 0.00 -0.71 0.00 0.00 52.86 50.84 1ocr s ASN 32 Cb 0.08 -1.89 -0.06 0.00 0.41 0.00 0.00 41.25 39.79 1ocr s ASN 32 CO 0.83 -0.33 0.45 -0.76 -1.51 0.00 0.00 177.10 175.78 1ocr s LEU 33 N 1.43 4.45 0.00 0.60 1.43 -1.26 -5.09 118.68 120.24 1ocr s LEU 33 Ca -0.01 1.01 -0.07 0.00 -1.03 0.00 0.00 54.13 54.03 1ocr s LEU 33 Cb -0.19 -2.78 0.17 0.00 0.03 0.00 0.00 46.19 43.41 1ocr s LEU 33 CO 0.03 0.27 1.06 -1.54 0.23 0.00 0.00 176.35 176.40 1ocr n SER 34 N 1.55 0.71 0.15 2.29 3.41 -1.26 -4.78 113.62 115.68 1ocr n SER 34 Ca -0.11 -1.76 -0.14 0.00 -0.26 0.00 0.00 58.87 56.59 1ocr n SER 34 Cb 0.52 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 1ocr n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ocr h ALA 35 N -1.17 -0.63 -0.85 7.33 0.00 -1.99 0.53 119.26 122.49 1ocr h ALA 35 Ca -0.35 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1ocr h ALA 35 Cb 1.11 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1ocr h ALA 35 CO 0.30 -0.91 0.56 0.66 0.00 0.00 0.00 179.25 179.87 1ocr h SER 36 N -0.61 0.91 -0.22 0.00 4.64 -2.00 -2.06 113.55 114.22 1ocr h SER 36 Ca 0.01 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1ocr h SER 36 Cb 0.61 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1ocr h SER 36 CO -0.16 0.63 -0.39 1.56 -0.87 0.00 0.00 176.83 177.60 1ocr h GLN 37 N 1.06 0.76 -0.16 4.77 4.20 -1.85 -1.36 115.11 122.54 1ocr h GLN 37 Ca 0.34 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1ocr h GLN 37 Cb 0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1ocr h GLN 37 CO -0.10 1.02 0.01 0.87 -0.67 0.00 0.00 178.83 179.97 1ocr h LYS 38 N 0.62 0.23 -0.03 1.46 1.57 -0.29 0.12 116.57 120.25 1ocr h LYS 38 Ca 0.05 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1ocr h LYS 38 Cb 0.94 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1ocr h LYS 38 CO 0.09 0.24 -0.65 0.00 -0.57 0.00 0.00 179.45 178.56 1ocr h ALA 39 N 1.80 0.12 -0.52 3.86 0.00 -0.93 -2.40 119.26 121.18 1ocr h ALA 39 Ca 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1ocr h ALA 39 Cb 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ocr h ALA 39 CO 0.00 0.42 0.27 1.25 0.00 0.00 0.00 179.25 181.19 1ocr h LEU 40 N 0.05 0.39 -1.77 0.00 6.46 -0.41 0.16 115.31 120.18 1ocr h LEU 40 Ca -0.07 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1ocr h LEU 40 Cb 1.33 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.20 1ocr h LEU 40 CO 0.13 0.27 0.25 0.11 -0.62 0.00 0.00 178.44 178.58 1ocr h LYS 41 N 0.52 0.28 0.12 1.25 1.79 -0.71 -0.44 116.57 119.37 1ocr h LYS 41 Ca 0.23 -0.02 -0.28 0.00 -2.18 0.00 0.00 60.65 58.41 1ocr h LYS 41 Cb 0.13 -0.06 0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1ocr h LYS 41 CO -0.16 0.18 -1.15 1.49 -1.08 0.00 0.00 179.45 178.73 1ocr h GLU 42 N 0.28 0.57 0.00 3.15 4.57 -0.51 -3.05 114.58 119.59 1ocr h GLU 42 Ca 0.16 -0.77 -0.00 0.00 -1.18 0.00 0.00 59.36 57.56 1ocr h GLU 42 Cb 0.28 0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ocr h GLU 42 CO -0.03 1.35 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.91 1ocr h LYS 43 N 0.16 0.00 0.00 1.92 3.64 0.43 -0.43 116.57 122.30 1ocr h LYS 43 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1ocr h LYS 43 Cb 1.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1ocr h LYS 43 CO 0.22 0.02 0.00 1.49 -2.27 0.00 0.00 179.45 178.91 1ocr h GLU 44 N 0.00 0.00 0.00 1.90 4.81 -1.01 -1.54 114.58 118.74 1ocr h GLU 44 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ocr h GLU 44 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ocr h GLU 44 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1ocr n LYS 45 N -2.89 0.02 0.00 1.92 5.02 -0.17 -4.76 118.16 117.31 1ocr n LYS 45 Ca -0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1ocr n LYS 45 Cb 0.22 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ocr n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ocr n ALA 46 N -1.53 0.00 -1.94 7.82 0.00 -0.58 -5.03 120.51 119.26 1ocr n ALA 46 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 1ocr n ALA 46 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1ocr n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ocr s SER 47 N -1.00 7.53 0.50 0.00 0.15 -1.26 -4.94 113.70 114.68 1ocr s SER 47 Ca 0.00 1.82 0.30 0.00 0.70 0.00 0.00 55.95 58.76 1ocr s SER 47 Cb 0.00 -2.57 1.00 0.00 -1.71 0.00 0.00 66.02 62.74 1ocr s SER 47 CO 0.00 0.12 1.84 -0.50 1.20 0.00 0.00 173.24 175.91 1ocr h TRP 48 N 4.53 0.00 0.00 3.44 6.55 -1.90 -2.58 115.95 125.99 1ocr h TRP 48 Ca -0.45 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.39 1ocr h TRP 48 Cb 1.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 1ocr h TRP 48 CO 0.63 0.00 0.00 -1.13 -1.05 0.00 0.00 178.44 176.89 1ocr n SER 49 N -3.05 0.00 -0.11 -3.49 3.41 -1.26 -1.94 113.62 107.18 1ocr n SER 49 Ca 0.02 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1ocr n SER 49 Cb 0.38 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1ocr n SER 49 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ocr n SER 50 N -1.32 1.15 -4.79 4.04 7.64 -0.97 -4.93 113.62 114.43 1ocr n SER 50 Ca 0.07 -1.00 -0.37 0.00 1.01 0.00 0.00 58.87 58.58 1ocr n SER 50 Cb 0.13 0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 64.02 1ocr n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ocr s LEU 51 N -2.87 4.33 0.53 -3.43 1.43 -0.82 -5.06 118.68 112.79 1ocr s LEU 51 Ca 0.11 1.75 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1ocr s LEU 51 Cb 0.17 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1ocr s LEU 51 CO 0.77 -0.06 0.88 -0.94 0.23 0.00 0.00 176.35 177.24 1ocr s SER 52 N -1.64 6.29 0.22 2.29 1.04 -1.26 -4.85 113.70 115.79 1ocr s SER 52 Ca 0.49 1.16 -0.11 0.00 0.48 0.00 0.00 55.95 57.97 1ocr s SER 52 Cb -0.18 -2.35 0.31 0.00 0.10 0.00 0.00 66.02 63.90 1ocr s SER 52 CO 0.23 -0.67 1.65 0.40 0.98 0.00 0.00 173.24 175.83 1ocr h ILE 53 N 0.14 0.43 -0.80 -1.02 1.08 -1.98 0.23 117.51 115.60 1ocr h ILE 53 Ca -0.46 -0.03 0.07 0.00 -0.39 0.00 0.00 64.86 64.06 1ocr h ILE 53 Cb 1.20 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 1ocr h ILE 53 CO 0.62 0.01 0.52 0.44 -0.69 0.00 0.00 178.15 179.06 1ocr h ASP 54 N 0.08 0.74 -0.19 1.72 3.32 -1.98 0.24 116.42 120.34 1ocr h ASP 54 Ca 0.33 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.22 1ocr h ASP 54 Cb 0.54 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ocr h ASP 54 CO -0.59 0.47 -0.50 -0.33 -1.72 0.00 0.00 179.24 176.58 1ocr h GLU 55 N 0.84 0.77 -0.56 3.56 5.08 -1.03 0.91 114.58 124.14 1ocr h GLU 55 Ca 0.35 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1ocr h GLU 55 Cb 0.28 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ocr h GLU 55 CO -0.13 1.09 -0.01 0.87 -1.00 0.00 0.00 179.01 179.83 1ocr h LYS 56 N 0.60 1.00 -0.08 2.33 1.57 0.79 -0.31 116.57 122.48 1ocr h LYS 56 Ca 0.03 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1ocr h LYS 56 Cb 1.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1ocr h LYS 56 CO 0.11 1.00 0.00 0.28 -0.57 0.00 0.00 179.45 180.27 1ocr h VAL 57 N 0.89 1.25 -0.58 0.50 2.07 -0.47 -1.40 116.25 118.51 1ocr h VAL 57 Ca 0.16 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1ocr h VAL 57 Cb 0.56 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1ocr h VAL 57 CO 0.03 0.22 0.38 -0.08 0.02 0.00 0.00 177.57 178.14 1ocr h GLU 58 N -0.14 0.53 -0.16 1.57 4.81 -0.65 0.28 114.58 120.82 1ocr h GLU 58 Ca 0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1ocr h GLU 58 Cb 0.34 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1ocr h GLU 58 CO 0.00 0.35 0.02 1.25 -0.73 0.00 0.00 179.01 179.90 1ocr h LEU 59 N 0.55 0.26 -0.17 1.64 5.85 -0.65 -2.14 115.31 120.65 1ocr h LEU 59 Ca 0.25 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ocr h LEU 59 Cb 0.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1ocr h LEU 59 CO -0.07 0.48 0.03 0.22 -0.34 0.00 0.00 178.44 178.75 1ocr h TYR 60 N 0.04 0.05 0.00 1.25 5.03 0.03 -1.41 116.97 121.95 1ocr h TYR 60 Ca 0.05 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1ocr h TYR 60 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1ocr h TYR 60 CO 0.02 0.01 0.00 0.54 -1.32 0.00 0.00 178.16 177.42 1ocr n ARG 61 N -5.09 0.09 0.04 1.82 5.12 -0.09 -1.31 116.66 117.24 1ocr n ARG 61 Ca -0.03 0.24 -0.15 0.00 -1.93 0.00 0.00 57.85 55.98 1ocr n ARG 61 Cb 0.08 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.74 1ocr n ARG 61 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ocr h LEU 62 N 0.00 0.27 0.12 0.55 5.85 -0.57 -3.40 115.31 118.13 1ocr h LEU 62 Ca 0.00 -0.43 -0.23 0.00 0.84 0.00 0.00 57.88 58.06 1ocr h LEU 62 Cb 0.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ocr h LEU 62 CO 0.00 1.36 -1.14 0.50 -0.34 0.00 0.00 178.44 178.83 1ocr h LYS 63 N 0.05 0.25 -6.20 1.25 1.63 -1.03 -1.78 116.57 110.73 1ocr h LYS 63 Ca -0.26 -0.42 -0.58 0.00 -0.85 0.00 0.00 60.65 58.55 1ocr h LYS 63 Cb 2.00 0.16 -0.18 0.00 -0.60 0.00 0.00 32.23 33.60 1ocr h LYS 63 CO 0.13 1.20 -0.80 -0.06 -3.45 0.00 0.00 179.45 176.47 1ocr s PHE 64 N -2.45 2.01 -0.17 1.91 0.08 -0.59 -0.49 117.98 118.30 1ocr s PHE 64 Ca -0.18 -0.42 -0.26 0.00 0.12 0.00 0.00 56.93 56.19 1ocr s PHE 64 Cb 0.03 -1.00 -0.23 0.00 -0.57 0.00 0.00 43.02 41.25 1ocr s PHE 64 CO 0.78 0.40 0.53 -0.22 -0.10 0.00 0.00 175.22 176.61 1ocr h LYS 65 N 3.22 0.00 -6.42 0.44 3.64 -1.88 -3.39 116.57 112.18 1ocr h LYS 65 Ca -0.44 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.33 1ocr h LYS 65 Cb 1.21 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.80 1ocr h LYS 65 CO 0.50 0.99 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.61 1ocr s GLU 66 N -2.28 1.33 0.72 1.90 2.02 -1.26 -5.02 118.70 116.12 1ocr s GLU 66 Ca -0.23 -1.16 -0.09 0.00 0.02 0.00 0.00 54.97 53.51 1ocr s GLU 66 Cb 0.01 -1.62 0.06 0.00 0.10 0.00 0.00 34.13 32.67 1ocr s GLU 66 CO 0.64 0.39 1.06 -1.54 0.02 0.00 0.00 175.26 175.83 1ocr s SER 67 N -1.72 4.87 0.22 -0.19 1.04 -1.26 -4.83 113.70 111.83 1ocr s SER 67 Ca 0.09 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.09 1ocr s SER 67 Cb -0.10 -1.29 0.30 0.00 0.10 0.00 0.00 66.02 65.03 1ocr s SER 67 CO 0.04 -1.61 1.81 -0.26 0.98 0.00 0.00 173.24 174.20 1ocr h PHE 68 N -0.69 0.73 -0.67 5.02 -1.00 -2.00 -0.41 116.94 117.92 1ocr h PHE 68 Ca -0.45 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.41 1ocr h PHE 68 Cb 1.31 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 40.61 1ocr h PHE 68 CO 0.36 0.33 0.45 0.00 -1.61 0.00 0.00 178.31 177.83 1ocr h ALA 69 N 1.39 1.70 -0.12 2.45 0.00 -1.96 -1.19 119.26 121.52 1ocr h ALA 69 Ca 0.34 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 1ocr h ALA 69 Cb 0.26 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ocr h ALA 69 CO -0.21 0.21 -0.62 0.93 0.00 0.00 0.00 179.25 179.56 1ocr h GLU 70 N 0.73 0.63 0.00 0.00 5.08 -1.48 -3.09 114.58 116.45 1ocr h GLU 70 Ca 0.28 -0.52 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1ocr h GLU 70 Cb 0.19 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ocr h GLU 70 CO -0.09 1.14 -0.28 0.00 -1.00 0.00 0.00 179.01 178.78 1ocr h MET 71 N 0.28 0.00 -0.55 2.33 -0.00 -0.63 -2.83 114.93 113.54 1ocr h MET 71 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1ocr h MET 71 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 1ocr h MET 71 CO 0.13 0.28 0.00 0.09 -0.00 0.00 0.00 176.91 177.40 1ocr n ASN 72 N -3.51 2.98 -4.77 -0.10 3.02 -0.51 -4.95 115.26 107.42 1ocr n ASN 72 Ca -0.00 -2.08 -0.40 0.00 -0.03 0.00 0.00 54.58 52.06 1ocr n ASN 72 Cb 0.44 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 1ocr n ASN 72 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ocr s ARG 73 N -1.42 3.87 0.00 3.52 3.52 -1.07 -5.01 118.95 122.36 1ocr s ARG 73 Ca 0.35 2.49 -0.09 0.00 -0.13 0.00 0.00 55.73 58.35 1ocr s ARG 73 Cb 0.20 -2.79 -0.05 0.00 -1.56 0.00 0.00 34.95 30.74 1ocr s ARG 73 CO 0.22 -0.69 0.31 0.45 -0.81 0.00 0.00 175.30 174.78 1ocr s SER 74 N -0.34 6.59 0.52 -2.12 0.15 -1.26 -5.11 113.70 112.13 1ocr s SER 74 Ca 0.57 0.70 0.06 0.00 0.70 0.00 0.00 55.95 57.98 1ocr s SER 74 Cb -0.45 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1ocr s SER 74 CO 0.59 0.28 0.41 0.42 1.20 0.00 0.00 173.24 176.14 1ocr s THR 75 N -1.22 1.82 -0.45 6.45 -4.23 -1.26 -5.02 115.64 111.73 1ocr s THR 75 Ca 0.26 -1.46 0.16 0.00 -1.18 0.00 0.00 61.69 59.46 1ocr s THR 75 Cb -0.14 -2.28 0.60 0.00 1.34 0.00 0.00 72.50 72.02 1ocr s THR 75 CO 0.14 0.00 1.51 0.59 -0.54 0.00 0.00 174.62 176.32 1ocr n ASN 76 N -1.74 4.35 -0.30 3.99 3.02 -1.26 -4.62 115.26 118.69 1ocr n ASN 76 Ca -0.00 -2.77 0.05 0.00 -0.03 0.00 0.00 54.58 51.83 1ocr n ASN 76 Cb 0.64 -0.54 0.20 0.00 -0.61 0.00 0.00 39.78 39.47 1ocr n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ocr h GLU 77 N 2.73 0.72 -0.99 3.52 4.81 -2.01 -2.13 114.58 121.23 1ocr h GLU 77 Ca 0.00 -0.04 0.20 0.00 -0.13 0.00 0.00 59.36 59.39 1ocr h GLU 77 Cb 1.48 -0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.60 1ocr h GLU 77 CO 0.26 0.48 0.62 0.11 -0.73 0.00 0.00 179.01 179.74 1ocr h TRP 78 N 0.74 0.91 -0.38 0.92 5.08 -1.99 0.68 115.95 121.91 1ocr h TRP 78 Ca 0.44 0.03 0.02 0.00 1.08 0.00 0.00 58.89 60.46 1ocr h TRP 78 Cb 0.52 -0.27 -0.03 0.00 -3.00 0.00 0.00 29.16 26.37 1ocr h TRP 78 CO -0.07 0.20 0.22 0.87 -1.28 0.00 0.00 178.44 178.38 1ocr h LYS 79 N 0.65 0.43 -0.65 0.12 1.57 -1.76 0.23 116.57 117.16 1ocr h LYS 79 Ca 0.56 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1ocr h LYS 79 Cb 1.03 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1ocr h LYS 79 CO -0.33 0.28 0.26 1.15 -0.57 0.00 0.00 179.45 180.24 1ocr h THR 80 N 0.44 1.23 0.18 -0.16 2.02 -1.01 -0.56 112.91 115.05 1ocr h THR 80 Ca 0.15 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1ocr h THR 80 Cb 0.02 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1ocr h THR 80 CO -0.08 0.29 -0.09 0.58 0.37 0.00 0.00 175.52 176.59 1ocr h VAL 81 N 0.94 0.92 -0.29 3.16 2.07 0.41 -0.32 116.25 123.13 1ocr h VAL 81 Ca 0.22 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1ocr h VAL 81 Cb 0.18 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ocr h VAL 81 CO -0.02 0.17 0.15 0.58 0.02 0.00 0.00 177.57 178.47 1ocr h VAL 82 N -0.65 1.14 0.07 2.57 2.07 -0.59 -1.43 116.25 119.43 1ocr h VAL 82 Ca -0.03 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1ocr h VAL 82 Cb 0.47 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ocr h VAL 82 CO 0.04 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 178.97 1ocr h GLY 83 N 0.34 -0.09 1.21 2.17 0.00 -1.14 -0.94 103.07 104.62 1ocr h GLY 83 Ca 0.10 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1ocr h GLY 83 CO -0.01 -0.04 0.25 0.00 0.00 0.00 0.00 176.54 176.74 1ocr h ALA 84 N 0.84 1.17 0.28 3.60 0.00 -1.00 -0.48 119.26 123.68 1ocr h ALA 84 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ocr h ALA 84 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ocr h ALA 84 CO 0.01 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.65 1ocr h ALA 85 N 1.30 -0.47 0.00 0.00 0.00 -1.00 -0.93 119.26 118.15 1ocr h ALA 85 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ocr h ALA 85 Cb 0.22 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ocr h ALA 85 CO -0.02 -0.78 -0.05 0.52 0.00 0.00 0.00 179.25 178.92 1ocr h MET 86 N -0.48 0.00 -0.16 0.00 2.86 -0.92 0.13 114.93 116.35 1ocr h MET 86 Ca -0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1ocr h MET 86 Cb 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1ocr h MET 86 CO -0.00 0.05 -0.08 0.35 1.06 0.00 0.00 176.91 178.29 1ocr h PHE 87 N 0.00 0.40 -0.03 -0.22 3.57 -0.39 -0.52 116.94 119.75 1ocr h PHE 87 Ca -0.00 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.29 1ocr h PHE 87 Cb 0.10 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1ocr h PHE 87 CO 0.00 0.67 -0.49 0.74 -2.23 0.00 0.00 178.31 176.99 1ocr h PHE 88 N 0.02 0.10 -0.57 0.41 0.04 0.08 0.19 116.94 117.21 1ocr h PHE 88 Ca 0.04 -0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1ocr h PHE 88 Cb 0.56 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1ocr h PHE 88 CO 0.07 0.56 -0.04 0.82 -0.60 0.00 0.00 178.31 179.11 1ocr h ILE 89 N 0.06 1.27 -0.69 -0.55 2.04 -0.91 -1.74 117.51 116.99 1ocr h ILE 89 Ca -0.00 -1.19 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 1ocr h ILE 89 Cb 0.90 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1ocr h ILE 89 CO 0.07 0.43 0.14 1.23 0.00 0.00 0.00 178.15 180.02 1ocr h GLY 90 N 0.91 1.20 1.58 5.37 0.00 -0.57 -1.54 103.07 110.03 1ocr h GLY 90 Ca 0.16 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1ocr h GLY 90 CO 0.04 0.72 0.26 -2.75 0.00 0.00 0.00 176.54 174.80 1ocr h PHE 91 N 1.05 0.46 -0.96 5.60 3.57 -0.56 -1.85 116.94 124.25 1ocr h PHE 91 Ca 0.21 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1ocr h PHE 91 Cb 0.40 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1ocr h PHE 91 CO 0.03 0.28 0.61 1.15 -2.23 0.00 0.00 178.31 178.15 1ocr h THR 92 N 0.49 1.25 -0.06 4.41 2.02 -0.38 -2.14 112.91 118.49 1ocr h THR 92 Ca 0.15 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1ocr h THR 92 Cb 0.00 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.27 1ocr h THR 92 CO -0.03 0.25 0.16 0.00 0.37 0.00 0.00 175.52 176.27 1ocr h ALA 93 N 1.37 1.39 -0.00 6.16 0.00 -1.27 0.37 119.26 127.28 1ocr h ALA 93 Ca 0.35 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 1ocr h ALA 93 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ocr h ALA 93 CO -0.07 -0.19 -0.93 -0.07 0.00 0.00 0.00 179.25 177.99 1ocr h LEU 94 N 0.00 0.53 -0.74 0.00 3.38 -1.47 -0.50 115.31 116.52 1ocr h LEU 94 Ca 0.03 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1ocr h LEU 94 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ocr h LEU 94 CO -0.00 1.22 0.13 -0.07 0.09 0.00 0.00 178.44 179.82 1ocr h LEU 95 N 0.24 1.04 0.27 1.67 3.38 -0.33 -0.19 115.31 121.38 1ocr h LEU 95 Ca -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1ocr h LEU 95 Cb 1.57 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ocr h LEU 95 CO 0.16 1.02 -0.13 -0.07 0.09 0.00 0.00 178.44 179.51 1ocr h LEU 96 N 1.03 -0.31 -0.64 1.67 3.38 -1.21 0.14 115.31 119.37 1ocr h LEU 96 Ca 0.21 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1ocr h LEU 96 Cb 0.40 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1ocr h LEU 96 CO 0.01 -0.14 0.24 0.40 0.09 0.00 0.00 178.44 179.03 1ocr h ILE 97 N -0.45 0.74 -0.69 1.22 2.04 -0.93 0.14 117.51 119.58 1ocr h ILE 97 Ca -0.04 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1ocr h ILE 97 Cb 0.34 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1ocr h ILE 97 CO 0.06 0.08 0.41 -0.25 0.00 0.00 0.00 178.15 178.45 1ocr h TRP 98 N 0.41 0.91 -0.46 1.37 7.01 -0.55 -2.14 115.95 122.50 1ocr h TRP 98 Ca 0.33 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.32 1ocr h TRP 98 Cb 0.43 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1ocr h TRP 98 CO -0.17 0.62 0.27 1.49 -2.79 0.00 0.00 178.44 177.85 1ocr h GLU 99 N 0.94 0.62 -0.82 2.65 4.81 0.74 -0.55 114.58 122.97 1ocr h GLU 99 Ca 0.25 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ocr h GLU 99 Cb -0.03 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1ocr h GLU 99 CO -0.05 0.46 0.44 -0.22 -0.73 0.00 0.00 179.01 178.91 1ocr h LYS 100 N 0.60 1.15 -0.01 1.92 1.63 -0.70 -0.65 116.57 120.51 1ocr h LYS 100 Ca 0.16 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1ocr h LYS 100 Cb 0.01 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 1ocr h LYS 100 CO -0.03 0.85 -0.13 1.25 -3.45 0.00 0.00 179.45 177.94 1ocr h HIS 101 N 1.15 0.15 0.00 1.91 2.76 -1.08 -3.36 115.15 116.68 1ocr h HIS 101 Ca 0.29 -0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 1ocr h HIS 101 Cb 0.05 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1ocr h HIS 101 CO 0.01 0.85 -1.97 0.66 -1.30 0.00 0.00 177.93 176.18 1ocr n TYR 102 N -4.61 0.11 -0.11 5.26 4.02 -0.24 -4.73 117.16 116.86 1ocr n TYR 102 Ca -0.09 0.03 -0.19 0.00 -0.01 0.00 0.00 57.90 57.64 1ocr n TYR 102 Cb 0.44 -0.64 -0.09 0.00 -0.02 0.00 0.00 39.34 39.03 1ocr n TYR 102 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ocr n VAL 103 N -2.40 1.19 -2.46 -0.72 0.31 -0.31 -4.98 118.33 108.95 1ocr n VAL 103 Ca -0.09 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.44 1ocr n VAL 103 Cb 0.68 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.06 1ocr n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ocr s TYR 104 N -2.41 3.22 0.00 3.52 2.02 -0.85 -5.05 117.35 117.80 1ocr s TYR 104 Ca -0.29 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1ocr s TYR 104 Cb 0.10 -3.41 0.00 0.00 -0.40 0.00 0.00 41.96 38.24 1ocr s TYR 104 CO 0.43 -1.28 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 1ocr n GLY 105 N 3.34 -0.82 3.81 0.71 0.00 -1.26 -4.80 105.19 106.18 1ocr n GLY 105 Ca 0.11 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 1ocr n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ocr s PRO 106 N -1.21 4.27 0.68 1.61 0.04 -1.26 -5.07 135.00 134.06 1ocr s PRO 106 Ca 0.00 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 1ocr s PRO 106 Cb 0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1ocr s PRO 106 CO 0.00 0.32 1.06 0.96 0.04 0.00 0.00 177.00 179.38 1ocr s ILE 107 N -1.63 4.04 0.53 0.56 -0.00 -1.26 -4.99 121.20 118.45 1ocr s ILE 107 Ca 0.47 0.69 -0.19 0.00 -0.00 0.00 0.00 60.65 61.61 1ocr s ILE 107 Cb -0.16 -3.41 -0.09 0.00 -0.00 0.00 0.00 42.46 38.80 1ocr s ILE 107 CO 0.21 -0.84 0.63 -2.65 -0.00 0.00 0.00 174.94 172.29 1ocr n PRO 108 N -3.02 0.66 0.08 0.37 -0.02 -1.26 -4.85 135.00 126.96 1ocr n PRO 108 Ca 0.08 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 1ocr n PRO 108 Cb 0.53 -1.76 0.33 0.00 -0.02 0.00 0.00 33.50 32.58 1ocr n PRO 108 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1ocr n HIS 109 N -1.44 0.40 1.70 6.00 1.44 -1.26 -2.38 115.22 119.68 1ocr n HIS 109 Ca 0.12 0.20 0.08 0.00 -2.01 0.00 0.00 57.72 56.10 1ocr n HIS 109 Cb 0.45 -0.82 0.45 0.00 0.12 0.00 0.00 29.99 30.19 1ocr n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1ocr n THR 110 N -1.91 0.00 1.01 0.61 -2.24 -1.26 -3.10 114.28 107.38 1ocr n THR 110 Ca -0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 1ocr n THR 110 Cb 0.05 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 1ocr n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ocr n PHE 111 N -0.78 0.00 -2.24 4.78 3.72 -1.00 -4.32 117.46 117.62 1ocr n PHE 111 Ca 0.11 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.16 1ocr n PHE 111 Cb 0.05 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1ocr n PHE 111 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1ocr s GLU 112 N -2.88 3.37 0.23 -1.08 -1.05 -1.18 -4.78 118.70 111.33 1ocr s GLU 112 Ca 0.11 1.65 -0.15 0.00 -0.15 0.00 0.00 54.97 56.42 1ocr s GLU 112 Cb 0.17 -2.04 0.28 0.00 -0.44 0.00 0.00 34.13 32.09 1ocr s GLU 112 CO 0.79 -0.85 1.57 0.93 0.95 0.00 0.00 175.26 178.65 1ocr h GLU 113 N 1.26 -0.03 0.33 -4.83 5.08 -1.93 -2.04 114.58 112.42 1ocr h GLU 113 Ca -0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ocr h GLU 113 Cb 1.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1ocr h GLU 113 CO 0.57 -0.02 -0.35 1.49 -1.00 0.00 0.00 179.01 179.70 1ocr h GLU 114 N -0.03 -0.69 -0.38 2.33 4.81 -1.98 -1.81 114.58 116.83 1ocr h GLU 114 Ca 0.36 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.71 1ocr h GLU 114 Cb 0.61 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.08 1ocr h GLU 114 CO -0.91 -0.46 -0.09 2.35 -0.73 0.00 0.00 179.01 179.17 1ocr h TRP 115 N -0.71 -0.19 0.00 0.92 2.91 -1.75 -0.71 115.95 116.41 1ocr h TRP 115 Ca -0.02 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 1ocr h TRP 115 Cb 0.65 0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 1ocr h TRP 115 CO -0.21 -0.16 -0.17 -0.39 -1.03 0.00 0.00 178.44 176.48 1ocr h VAL 116 N 0.00 0.70 -0.22 2.65 -1.51 -1.29 0.48 116.25 117.06 1ocr h VAL 116 Ca 0.18 -0.73 -0.11 0.00 -1.23 0.00 0.00 66.70 64.81 1ocr h VAL 116 Cb 0.28 1.45 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1ocr h VAL 116 CO -0.39 0.17 -0.31 0.00 -1.23 0.00 0.00 177.57 175.81 1ocr h ALA 117 N 1.83 0.33 -0.19 5.19 0.00 -0.29 0.18 119.26 126.31 1ocr h ALA 117 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1ocr h ALA 117 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ocr h ALA 117 CO 0.02 0.36 -0.41 0.87 0.00 0.00 0.00 179.25 180.09 1ocr h LYS 118 N 0.29 0.61 -0.42 0.00 1.57 -0.59 -2.37 116.57 115.65 1ocr h LYS 118 Ca 0.02 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1ocr h LYS 118 Cb 0.89 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1ocr h LYS 118 CO 0.07 1.02 0.18 0.37 -0.57 0.00 0.00 179.45 180.53 1ocr h GLN 119 N 0.28 0.59 -0.16 3.15 4.15 -0.07 0.99 115.11 124.04 1ocr h GLN 119 Ca 0.00 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 1ocr h GLN 119 Cb 1.02 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1ocr h GLN 119 CO 0.09 0.48 -0.43 1.15 -1.93 0.00 0.00 178.83 178.18 1ocr h THR 120 N 0.59 1.31 -0.05 2.39 2.02 -0.78 -0.30 112.91 118.10 1ocr h THR 120 Ca 0.15 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 1ocr h THR 120 Cb 0.09 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1ocr h THR 120 CO -0.02 0.49 -0.02 0.50 0.37 0.00 0.00 175.52 176.84 1ocr h LYS 121 N 0.32 0.11 -0.93 6.66 3.11 -0.59 0.14 116.57 125.38 1ocr h LYS 121 Ca 0.02 -0.05 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 1ocr h LYS 121 Cb 0.90 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.06 1ocr h LYS 121 CO 0.08 0.48 0.60 -0.09 -2.81 0.00 0.00 179.45 177.70 1ocr h ARG 122 N -0.27 1.08 -0.16 1.90 2.43 -0.62 0.35 114.38 119.09 1ocr h ARG 122 Ca 0.01 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1ocr h ARG 122 Cb 0.45 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1ocr h ARG 122 CO 0.01 0.72 0.08 0.52 -1.51 0.00 0.00 179.97 179.78 1ocr h MET 123 N 1.11 0.24 0.00 0.20 2.86 -0.96 0.42 114.93 118.80 1ocr h MET 123 Ca 0.39 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1ocr h MET 123 Cb 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1ocr h MET 123 CO -0.15 0.28 -0.11 -0.07 1.06 0.00 0.00 176.91 177.92 1ocr h LEU 124 N 0.14 0.00 -0.16 1.22 3.38 0.55 -2.05 115.31 118.39 1ocr h LEU 124 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1ocr h LEU 124 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ocr h LEU 124 CO -0.01 0.11 -0.42 0.44 0.09 0.00 0.00 178.44 178.65 1ocr h ASP 125 N 0.00 0.65 -0.11 -0.43 3.32 0.97 -2.80 116.42 118.02 1ocr h ASP 125 Ca -0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1ocr h ASP 125 Cb 0.24 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ocr h ASP 125 CO 0.01 1.11 0.00 1.15 -1.72 0.00 0.00 179.24 179.80 1ocr n MET 126 N -4.26 1.26 -3.76 3.56 0.00 0.01 -4.91 117.12 109.02 1ocr n MET 126 Ca -0.07 -0.38 -0.24 0.00 0.00 0.00 0.00 57.70 57.01 1ocr n MET 126 Cb 0.55 -1.11 0.03 0.00 0.00 0.00 0.00 33.22 32.69 1ocr n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1ocr n LYS 127 N -0.18 -5.09 -1.64 3.17 4.01 -0.92 -4.88 118.16 112.62 1ocr n LYS 127 Ca 0.04 0.61 -0.43 0.00 -0.51 0.00 0.00 58.31 58.02 1ocr n LYS 127 Cb 0.10 -5.26 -0.03 0.00 -0.51 0.00 0.00 35.03 29.33 1ocr n LYS 127 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1ocr n VAL 128 N -4.40 0.65 -3.34 -0.18 0.31 -0.82 -3.13 118.33 107.43 1ocr n VAL 128 Ca -0.21 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 63.81 1ocr n VAL 128 Cb 0.64 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1ocr n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocr n ALA 129 N 8.47 -2.63 0.61 3.52 0.00 -1.26 -1.50 120.51 127.72 1ocr n ALA 129 Ca 0.23 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1ocr n ALA 129 Cb 0.41 -1.31 0.32 0.00 0.00 0.00 0.00 19.45 18.87 1ocr n ALA 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ocr n PRO 130 N -1.99 0.27 0.07 0.00 -0.04 -1.18 -1.51 135.00 130.62 1ocr n PRO 130 Ca -0.12 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 1ocr n PRO 130 Cb 0.58 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.13 1ocr n PRO 130 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ocr h ILE 131 N 0.00 1.00 0.00 0.52 2.04 -1.91 -3.34 117.51 115.82 1ocr h ILE 131 Ca 0.00 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1ocr h ILE 131 Cb 0.74 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1ocr h ILE 131 CO 0.00 0.84 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1ocr n GLN 132 N -3.56 0.00 -0.04 2.37 6.02 -1.26 -4.87 117.38 116.04 1ocr n GLN 132 Ca -0.22 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.64 1ocr n GLN 132 Cb 1.07 -0.31 -0.11 0.00 1.02 0.00 0.00 30.24 31.91 1ocr n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ocr h GLY 133 N 0.00 -0.03 0.00 1.08 0.00 -1.90 -3.44 103.07 98.79 1ocr h GLY 133 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ocr h GLY 133 CO 0.00 -0.01 0.00 0.33 0.00 0.00 0.00 176.54 176.86 1ocr n PHE 134 N -4.71 0.00 0.32 5.60 7.35 -0.57 -4.84 117.46 120.61 1ocr n PHE 134 Ca -0.09 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.80 1ocr n PHE 134 Cb 0.37 0.08 1.09 0.00 0.35 0.00 0.00 39.48 41.37 1ocr n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ocr h SER 135 N 0.00 0.00 0.42 -2.13 0.02 -0.78 0.20 113.55 111.28 1ocr h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ocr h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ocr h SER 135 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1ocr n ALA 136 N -2.16 2.22 0.00 3.77 0.00 -1.20 -1.95 120.51 121.19 1ocr n ALA 136 Ca -0.03 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.38 1ocr n ALA 136 Cb 0.10 -1.38 0.18 0.00 0.00 0.00 0.00 19.45 18.35 1ocr n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ocr n LYS 137 N -1.27 2.39 -4.69 0.00 5.02 0.69 -4.93 118.16 115.37 1ocr n LYS 137 Ca 0.12 -2.09 -0.33 0.00 -2.02 0.00 0.00 58.31 53.99 1ocr n LYS 137 Cb 0.18 -1.38 -0.12 0.00 -0.02 0.00 0.00 35.03 33.69 1ocr n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1ocr s TRP 138 N -1.11 2.87 -0.67 2.13 -0.11 -0.82 -0.37 118.94 120.86 1ocr s TRP 138 Ca 0.30 -0.18 -0.20 0.00 1.22 0.00 0.00 56.10 57.24 1ocr s TRP 138 Cb 0.17 -1.74 0.10 0.00 -1.50 0.00 0.00 33.47 30.49 1ocr s TRP 138 CO 0.23 0.15 0.87 0.34 -4.62 0.00 0.00 176.95 173.92 1ocr s ASP 139 N -0.44 6.26 0.64 5.86 -1.08 0.65 -4.63 116.67 123.92 1ocr s ASP 139 Ca 0.06 -1.37 0.40 0.00 -0.52 0.00 0.00 52.55 51.12 1ocr s ASP 139 Cb -0.12 -2.36 2.19 0.00 -1.46 0.00 0.00 42.92 41.17 1ocr s ASP 139 CO 0.02 -1.23 2.31 1.88 0.52 0.00 0.00 175.17 178.67 1ocr h TYR 140 N 9.26 0.00 0.00 -5.34 0.05 -1.90 -2.16 116.97 116.88 1ocr h TYR 140 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1ocr h TYR 140 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1ocr h TYR 140 CO 0.94 0.01 -0.02 -0.44 -1.05 0.00 0.00 178.16 177.59 1ocr h ASP 141 N 0.00 0.00 -0.12 3.88 5.19 -1.93 -3.37 116.42 120.08 1ocr h ASP 141 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ocr h ASP 141 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1ocr h ASP 141 CO 0.00 0.46 0.00 0.29 -3.12 0.00 0.00 179.24 176.87 1ocr n LYS 142 N -4.49 1.31 -4.03 3.56 5.02 -1.22 -4.91 118.16 113.40 1ocr n LYS 142 Ca -0.00 -0.48 -0.26 0.00 -2.02 0.00 0.00 58.31 55.55 1ocr n LYS 142 Cb 0.01 -1.17 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1ocr n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ocr n ASN 143 N -0.17 -0.02 -3.78 4.39 3.02 -0.82 -4.96 115.26 112.93 1ocr n ASN 143 Ca 0.08 -1.07 -0.10 0.00 -0.03 0.00 0.00 54.58 53.46 1ocr n ASN 143 Cb 0.13 -2.73 -0.07 0.00 -0.61 0.00 0.00 39.78 36.50 1ocr n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1ocr s GLU 144 N -6.73 0.85 0.16 3.52 -1.05 -1.21 -5.02 118.70 109.22 1ocr s GLU 144 Ca 0.00 -0.71 -0.31 0.00 -0.15 0.00 0.00 54.97 53.80 1ocr s GLU 144 Cb -0.00 0.36 -0.09 0.00 -0.44 0.00 0.00 34.13 33.96 1ocr s GLU 144 CO 0.91 -0.28 1.40 -1.58 0.95 0.00 0.00 175.26 176.65 1ocr s TRP 145 N -3.23 3.20 0.78 4.83 0.52 -1.26 -0.26 118.94 123.52 1ocr s TRP 145 Ca -0.00 0.99 -0.15 0.00 0.02 0.00 0.00 56.10 56.96 1ocr s TRP 145 Cb 0.02 -3.71 0.02 0.00 -1.15 0.00 0.00 33.47 28.65 1ocr s TRP 145 CO -0.08 -2.41 0.81 1.63 0.02 0.00 0.00 176.95 176.92 1ocr n LYS 146 N 3.40 0.23 0.00 4.98 5.02 0.51 -4.70 118.16 127.60 1ocr n LYS 146 Ca 0.10 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1ocr n LYS 146 Cb 0.42 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1ocr n LYS 146 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05