#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 4.87 0.36 0.44 1.01 -1.26 -5.02 120.40 120.80 1ocr s VAL 5 Ca 0.00 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.93 1ocr s VAL 5 Cb 0.00 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 1ocr s VAL 5 CO 0.00 -0.16 0.76 -0.69 0.00 0.00 0.00 175.10 175.01 1ocr s VAL 6 N 2.76 4.70 -0.01 2.92 1.01 -1.26 -5.09 120.40 125.43 1ocr s VAL 6 Ca 0.29 0.86 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1ocr s VAL 6 Cb -0.15 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1ocr s VAL 6 CO 0.11 -0.31 -0.18 -0.54 0.00 0.00 0.00 175.10 174.18 1ocr s LYS 7 N -3.29 1.48 0.31 2.72 1.02 -1.26 -5.06 119.74 115.66 1ocr s LYS 7 Ca 0.54 -0.65 0.07 0.00 0.02 0.00 0.00 55.97 55.95 1ocr s LYS 7 Cb -0.10 -1.43 0.84 0.00 -0.52 0.00 0.00 37.83 36.61 1ocr s LYS 7 CO 0.22 0.39 1.71 0.77 -0.92 0.00 0.00 175.35 177.52 1ocr h SER 8 N 5.69 0.50 0.38 2.83 0.02 -2.04 -1.41 113.55 119.51 1ocr h SER 8 Ca -0.37 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1ocr h SER 8 Cb 1.15 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1ocr h SER 8 CO 0.48 0.03 0.00 -1.84 -1.14 0.00 0.00 176.83 174.36 1ocr n GLU 9 N -4.98 0.02 -0.43 3.45 0.28 -1.26 -2.55 120.64 115.18 1ocr n GLU 9 Ca 0.25 0.28 0.02 0.00 -0.16 0.00 0.00 57.16 57.56 1ocr n GLU 9 Cb 0.73 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.28 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 -1.48 3.20 0.27 -1.84 8.00 -0.53 -4.32 116.55 119.85 1ocr n ASP 10 Ca 0.03 -2.45 0.10 0.00 0.71 0.00 0.00 54.79 53.18 1ocr n ASP 10 Cb 0.13 -0.59 0.71 0.00 -0.02 0.00 0.00 41.12 41.35 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 1.73 0.00 -0.01 1.24 -0.00 -1.69 -0.42 116.97 117.82 1ocr h TYR 11 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1ocr h TYR 11 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1ocr h TYR 11 CO 0.52 0.01 -0.03 0.00 -0.00 0.00 0.00 178.16 178.67 1ocr n ALA 12 N -2.48 2.66 -2.86 0.10 0.00 -1.26 -4.85 120.51 111.82 1ocr n ALA 12 Ca -0.03 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 1ocr n ALA 12 Cb 0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.09 3.98 0.55 0.00 1.43 -0.17 -5.07 118.68 117.31 1ocr s LEU 13 Ca 0.39 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 1ocr s LEU 13 Cb 0.21 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1ocr s LEU 13 CO 0.37 -0.00 1.35 -2.65 0.23 0.00 0.00 176.35 175.65 1ocr n PRO 14 N -0.90 1.67 -4.30 1.29 -0.02 -1.26 -5.02 135.00 126.46 1ocr n PRO 14 Ca -0.08 0.61 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 1ocr n PRO 14 Cb 0.56 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 1ocr n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ocr s SER 15 N -0.92 2.51 0.33 2.55 1.04 -1.26 -4.95 113.70 112.99 1ocr s SER 15 Ca 0.72 -0.77 -0.26 0.00 0.48 0.00 0.00 55.95 56.13 1ocr s SER 15 Cb -0.42 -0.14 -0.10 0.00 0.10 0.00 0.00 66.02 65.47 1ocr s SER 15 CO 0.49 -0.00 0.94 -0.47 0.98 0.00 0.00 173.24 175.17 1ocr s TYR 16 N -1.62 3.67 -0.21 5.02 5.04 -1.26 -4.38 117.35 123.62 1ocr s TYR 16 Ca 0.10 1.76 -0.20 0.00 -2.44 0.00 0.00 57.07 56.29 1ocr s TYR 16 Cb -0.08 -2.91 0.06 0.00 0.35 0.00 0.00 41.96 39.38 1ocr s TYR 16 CO 0.05 0.20 0.57 0.54 -1.34 0.00 0.00 175.55 175.57 1ocr s VAL 17 N -1.64 0.00 -0.33 3.14 0.11 -1.26 -5.07 120.40 115.35 1ocr s VAL 17 Ca 0.51 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.49 1ocr s VAL 17 Cb -0.18 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1ocr s VAL 17 CO 0.23 -0.00 0.08 -1.81 -3.33 0.00 0.00 175.10 170.27 1ocr s ASP 18 N 0.24 5.23 -0.24 3.54 1.01 -1.26 -4.56 116.67 120.62 1ocr s ASP 18 Ca -0.01 -1.16 -0.14 0.00 0.71 0.00 0.00 52.55 51.95 1ocr s ASP 18 Cb -0.04 -1.84 0.07 0.00 1.01 0.00 0.00 42.92 42.12 1ocr s ASP 18 CO 0.01 -0.31 0.59 0.00 0.21 0.00 0.00 175.17 175.67 1ocr s ARG 19 N 1.37 0.61 0.49 8.23 1.70 -1.26 -5.06 118.95 125.03 1ocr s ARG 19 Ca -0.02 1.04 0.34 0.00 -0.47 0.00 0.00 55.73 56.63 1ocr s ARG 19 Cb -0.19 0.11 1.48 0.00 -0.57 0.00 0.00 34.95 35.77 1ocr s ARG 19 CO 0.02 -0.14 1.69 0.00 -1.08 0.00 0.00 175.30 175.79 1ocr h ARG 20 N 6.82 0.09 -0.52 3.89 3.08 -1.97 0.45 114.38 126.22 1ocr h ARG 20 Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1ocr h ARG 20 Cb 1.21 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1ocr h ARG 20 CO 0.20 0.06 0.00 -0.40 -1.07 0.00 0.00 179.97 178.76 1ocr n ASP 21 N -4.36 2.82 -2.93 7.04 5.75 -1.26 -4.23 116.55 119.38 1ocr n ASP 21 Ca 0.33 -2.06 -0.14 0.00 -0.01 0.00 0.00 54.79 52.91 1ocr n ASP 21 Cb 1.41 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 41.15 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 0.91 -1.83 -0.21 2.11 9.36 0.15 -5.03 117.16 122.62 1ocr n TYR 22 Ca 0.17 -2.69 0.09 0.00 3.32 0.00 0.00 57.90 58.79 1ocr n TYR 22 Cb 0.47 0.74 0.37 0.00 -0.63 0.00 0.00 39.34 40.29 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 3.53 0.70 -3.64 2.98 0.13 -1.72 -3.34 132.00 130.63 1ocr h PRO 23 Ca -0.04 -0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 64.33 1ocr h PRO 23 Cb 1.00 -0.16 -0.32 0.00 0.13 0.00 0.00 31.00 31.65 1ocr h PRO 23 CO 0.34 0.46 -0.20 -0.51 -0.23 0.00 0.00 178.00 177.86 1ocr s LEU 24 N -9.72 5.75 0.98 1.56 1.43 -1.26 -4.96 118.68 112.46 1ocr s LEU 24 Ca -0.10 -2.84 -0.14 0.00 -1.03 0.00 0.00 54.13 50.03 1ocr s LEU 24 Cb 0.20 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1ocr s LEU 24 CO 0.78 -0.43 0.22 -2.65 0.23 0.00 0.00 176.35 174.50 1ocr n PRO 25 N 3.60 -0.46 0.06 1.29 -0.02 -1.25 -4.88 135.00 133.34 1ocr n PRO 25 Ca 0.10 -0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1ocr n PRO 25 Cb 0.41 -1.75 0.44 0.00 -0.02 0.00 0.00 33.50 32.58 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 -0.91 0.37 -3.85 2.55 8.00 -1.26 -4.81 116.55 116.65 1ocr n ASP 26 Ca 0.05 0.57 -0.12 0.00 0.71 0.00 0.00 54.79 56.01 1ocr n ASP 26 Cb 0.55 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.89 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 0.06 0.45 2.53 1.01 -1.26 -4.98 120.40 115.08 1ocr s VAL 27 Ca 0.08 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 1ocr s VAL 27 Cb 0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 36.38 36.01 1ocr s VAL 27 CO 0.41 -0.29 1.21 0.00 0.00 0.00 0.00 175.10 176.43 1ocr s ALA 28 N -1.05 3.05 0.27 5.51 0.00 -1.26 -4.70 121.76 123.57 1ocr s ALA 28 Ca -0.11 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.84 1ocr s ALA 28 Cb -0.06 -3.42 0.33 0.00 0.00 0.00 0.00 23.12 19.97 1ocr s ALA 28 CO 0.01 -0.74 1.94 1.25 0.00 0.00 0.00 175.76 178.23 1ocr h HIS 29 N 2.23 1.19 -3.46 0.00 2.76 -0.93 -3.40 115.15 113.53 1ocr h HIS 29 Ca -0.49 0.03 -0.66 0.00 -2.20 0.00 0.00 60.37 57.04 1ocr h HIS 29 Cb 1.25 -0.40 -0.27 0.00 1.55 0.00 0.00 27.41 29.53 1ocr h HIS 29 CO 0.53 0.74 -0.70 0.08 -1.30 0.00 0.00 177.93 177.28 1ocr s VAL 30 N -6.05 3.49 -0.12 5.26 1.01 -0.82 0.17 120.40 123.33 1ocr s VAL 30 Ca -0.13 -0.54 0.18 0.00 0.00 0.00 0.00 61.98 61.49 1ocr s VAL 30 Cb 0.18 -2.64 -0.21 0.00 0.00 0.00 0.00 36.38 33.72 1ocr s VAL 30 CO 0.81 0.35 0.55 0.29 0.00 0.00 0.00 175.10 177.10 1ocr n LYS 31 N 4.81 0.65 -3.69 2.72 4.01 -1.26 -4.85 118.16 120.54 1ocr n LYS 31 Ca -0.17 0.10 -0.39 0.00 -0.51 0.00 0.00 58.31 57.34 1ocr n LYS 31 Cb 0.50 -1.68 -0.12 0.00 -0.51 0.00 0.00 35.03 33.22 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 -5.53 5.45 0.11 4.39 0.01 -1.26 -5.08 114.94 113.04 1ocr s ASN 32 Ca -0.06 -1.27 -0.18 0.00 -0.71 0.00 0.00 52.86 50.64 1ocr s ASN 32 Cb 0.09 -1.92 -0.07 0.00 0.41 0.00 0.00 41.25 39.76 1ocr s ASN 32 CO 0.83 -0.40 0.59 -0.76 -1.51 0.00 0.00 177.10 175.85 1ocr s LEU 33 N 1.41 4.46 0.85 0.60 1.43 -1.26 -5.08 118.68 121.09 1ocr s LEU 33 Ca 0.01 1.25 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1ocr s LEU 33 Cb -0.21 -3.09 0.18 0.00 0.03 0.00 0.00 46.19 43.10 1ocr s LEU 33 CO 0.03 0.20 1.17 -0.94 0.23 0.00 0.00 176.35 177.03 1ocr s SER 34 N -1.33 3.63 0.11 2.29 1.04 -1.26 -4.78 113.70 113.40 1ocr s SER 34 Ca 0.33 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 1ocr s SER 34 Cb -0.18 0.00 -0.09 0.00 0.10 0.00 0.00 66.02 65.86 1ocr s SER 34 CO 0.20 -2.36 1.61 0.00 0.98 0.00 0.00 173.24 173.66 1ocr h ALA 35 N -1.10 -0.59 -0.98 5.32 0.00 -1.99 0.15 119.26 120.07 1ocr h ALA 35 Ca -0.39 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1ocr h ALA 35 Cb 1.24 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 1ocr h ALA 35 CO 0.36 -0.89 0.63 0.66 0.00 0.00 0.00 179.25 180.01 1ocr h SER 36 N -0.57 1.00 -0.24 0.00 4.64 -2.00 -1.56 113.55 114.82 1ocr h SER 36 Ca 0.03 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.20 1ocr h SER 36 Cb 0.60 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1ocr h SER 36 CO -0.20 0.64 -0.43 1.56 -0.87 0.00 0.00 176.83 177.53 1ocr h GLN 37 N 1.13 0.79 -0.18 4.77 4.20 -1.82 -0.83 115.11 123.17 1ocr h GLN 37 Ca 0.42 -0.43 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1ocr h GLN 37 Cb 0.19 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1ocr h GLN 37 CO -0.17 1.06 0.01 0.87 -0.67 0.00 0.00 178.83 179.94 1ocr h LYS 38 N 0.64 0.26 -0.09 1.46 1.57 0.05 0.19 116.57 120.65 1ocr h LYS 38 Ca 0.05 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1ocr h LYS 38 Cb 0.99 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1ocr h LYS 38 CO 0.09 0.27 -0.41 0.00 -0.57 0.00 0.00 179.45 178.84 1ocr h ALA 39 N 1.77 0.17 -0.44 3.86 0.00 -0.83 -2.22 119.26 121.56 1ocr h ALA 39 Ca 0.06 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1ocr h ALA 39 Cb 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ocr h ALA 39 CO 0.00 0.28 0.13 1.25 0.00 0.00 0.00 179.25 180.91 1ocr h LEU 40 N -0.02 0.10 -1.87 0.00 6.46 -0.28 0.29 115.31 119.99 1ocr h LEU 40 Ca -0.03 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1ocr h LEU 40 Cb 1.05 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1ocr h LEU 40 CO 0.08 0.09 0.22 0.11 -0.62 0.00 0.00 178.44 178.32 1ocr h LYS 41 N 0.28 0.15 0.17 1.25 1.79 -0.59 -0.77 116.57 118.85 1ocr h LYS 41 Ca 0.21 -0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 58.37 1ocr h LYS 41 Cb 0.24 -0.03 0.03 0.00 -1.58 0.00 0.00 32.23 30.88 1ocr h LYS 41 CO -0.24 0.10 -1.28 1.49 -1.08 0.00 0.00 179.45 178.44 1ocr h GLU 42 N 0.16 0.57 -0.11 3.15 4.57 0.05 -3.14 114.58 119.83 1ocr h GLU 42 Ca 0.14 -0.84 0.02 0.00 -1.18 0.00 0.00 59.36 57.50 1ocr h GLU 42 Cb 0.37 0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1ocr h GLU 42 CO -0.02 1.39 0.08 -0.22 -1.18 0.00 0.00 179.01 179.05 1ocr h LYS 43 N 0.17 0.08 0.00 1.92 3.64 0.44 -0.42 116.57 122.41 1ocr h LYS 43 Ca -0.21 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ocr h LYS 43 Cb 1.97 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 1ocr h LYS 43 CO 0.24 0.05 0.00 1.49 -2.27 0.00 0.00 179.45 178.96 1ocr h GLU 44 N 0.08 0.00 0.00 1.90 4.81 -1.13 -0.31 114.58 119.93 1ocr h GLU 44 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1ocr h GLU 44 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1ocr h GLU 44 CO -0.01 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.90 1ocr n LYS 45 N -3.00 0.04 0.00 1.92 5.02 -0.16 -4.77 118.16 117.21 1ocr n LYS 45 Ca -0.01 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1ocr n LYS 45 Cb 0.18 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.55 0.00 -1.82 7.82 0.00 -0.13 -5.03 120.51 119.81 1ocr n ALA 46 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 1ocr n ALA 46 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 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 7.52 0.49 0.00 0.15 -1.26 -4.94 113.70 114.66 1ocr s SER 47 Ca 0.00 1.84 0.28 0.00 0.70 0.00 0.00 55.95 58.78 1ocr s SER 47 Cb 0.00 -2.57 0.92 0.00 -1.71 0.00 0.00 66.02 62.66 1ocr s SER 47 CO 0.00 0.13 1.82 -0.50 1.20 0.00 0.00 173.24 175.89 1ocr h TRP 48 N 3.99 0.00 0.00 3.44 6.55 -1.90 -2.62 115.95 125.41 1ocr h TRP 48 Ca -0.46 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.38 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 0.62 0.04 0.00 -1.13 -1.05 0.00 0.00 178.44 176.92 1ocr n SER 49 N -3.13 0.00 -0.17 -3.49 3.41 -1.26 -1.79 113.62 107.19 1ocr n SER 49 Ca 0.02 0.24 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1ocr n SER 49 Cb 0.41 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.36 1.24 -4.81 4.04 7.64 -0.99 -4.93 113.62 114.45 1ocr n SER 50 Ca 0.05 -1.03 -0.35 0.00 1.01 0.00 0.00 58.87 58.54 1ocr n SER 50 Cb 0.13 0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 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 -2.79 4.25 0.50 -3.43 1.43 -0.74 -5.06 118.68 112.83 1ocr s LEU 51 Ca 0.13 1.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.72 1ocr s LEU 51 Cb 0.17 -3.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 1ocr s LEU 51 CO 0.72 -0.09 0.85 -0.94 0.23 0.00 0.00 176.35 177.13 1ocr s SER 52 N -1.79 6.34 0.23 2.29 1.04 -1.26 -4.84 113.70 115.70 1ocr s SER 52 Ca 0.49 1.14 -0.09 0.00 0.48 0.00 0.00 55.95 57.98 1ocr s SER 52 Cb -0.15 -2.34 0.36 0.00 0.10 0.00 0.00 66.02 63.99 1ocr s SER 52 CO 0.20 -0.60 1.66 0.40 0.98 0.00 0.00 173.24 175.88 1ocr h ILE 53 N 0.36 0.45 -0.78 -1.02 1.08 -1.98 0.23 117.51 115.85 1ocr h ILE 53 Ca -0.46 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.01 1ocr h ILE 53 Cb 1.20 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.20 1ocr h ILE 53 CO 0.62 0.03 0.51 0.44 -0.69 0.00 0.00 178.15 179.06 1ocr h ASP 54 N 0.14 0.79 -0.24 1.72 3.32 -1.99 0.25 116.42 120.41 1ocr h ASP 54 Ca 0.36 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 1ocr h ASP 54 Cb 0.61 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1ocr h ASP 54 CO -0.56 0.53 -0.42 -0.33 -1.72 0.00 0.00 179.24 176.73 1ocr h GLU 55 N 0.90 0.79 -0.52 3.56 5.08 -1.01 0.40 114.58 123.78 1ocr h GLU 55 Ca 0.32 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1ocr h GLU 55 Cb 0.14 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1ocr h GLU 55 CO -0.10 1.06 0.01 0.87 -1.00 0.00 0.00 179.01 179.84 1ocr h LYS 56 N 0.64 0.92 -0.13 2.33 1.57 0.49 0.41 116.57 122.80 1ocr h LYS 56 Ca 0.05 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1ocr h LYS 56 Cb 0.99 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 1ocr h LYS 56 CO 0.09 0.94 -0.00 0.28 -0.57 0.00 0.00 179.45 180.19 1ocr h VAL 57 N 0.79 1.26 -0.85 0.50 2.07 -0.44 -1.56 116.25 118.02 1ocr h VAL 57 Ca 0.15 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1ocr h VAL 57 Cb 0.52 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1ocr h VAL 57 CO 0.03 0.25 0.56 -0.08 0.02 0.00 0.00 177.57 178.34 1ocr h GLU 58 N -0.04 0.95 -0.08 1.57 4.81 -0.76 0.05 114.58 121.09 1ocr h GLU 58 Ca 0.04 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ocr h GLU 58 Cb 0.38 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1ocr h GLU 58 CO 0.01 0.63 0.04 1.25 -0.73 0.00 0.00 179.01 180.21 1ocr h LEU 59 N 0.98 0.10 -0.11 1.64 5.85 -0.60 -1.84 115.31 121.32 1ocr h LEU 59 Ca 0.36 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1ocr h LEU 59 Cb 0.16 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1ocr h LEU 59 CO -0.12 0.17 -0.05 0.22 -0.34 0.00 0.00 178.44 178.31 1ocr h TYR 60 N 0.02 -0.11 0.00 1.25 5.03 -0.19 -0.73 116.97 122.24 1ocr h TYR 60 Ca 0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1ocr h TYR 60 Cb 0.09 0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1ocr h TYR 60 CO -0.04 -0.08 0.00 0.54 -1.32 0.00 0.00 178.16 177.26 1ocr n ARG 61 N -5.18 0.05 0.05 1.82 5.12 -0.12 -1.06 116.66 117.35 1ocr n ARG 61 Ca -0.04 0.29 -0.14 0.00 -1.93 0.00 0.00 57.85 56.03 1ocr n ARG 61 Cb 0.11 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.77 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 0.26 0.09 0.55 5.85 -0.27 -3.39 115.31 118.40 1ocr h LEU 62 Ca 0.00 -0.36 -0.25 0.00 0.84 0.00 0.00 57.88 58.11 1ocr h LEU 62 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ocr h LEU 62 CO 0.00 1.30 -1.28 0.50 -0.34 0.00 0.00 178.44 178.62 1ocr h LYS 63 N 0.05 0.19 -6.33 1.25 1.63 -0.90 -2.18 116.57 110.28 1ocr h LYS 63 Ca -0.20 -0.33 -0.61 0.00 -0.85 0.00 0.00 60.65 58.66 1ocr h LYS 63 Cb 1.97 0.12 -0.17 0.00 -0.60 0.00 0.00 32.23 33.55 1ocr h LYS 63 CO 0.15 1.16 -0.79 -0.06 -3.45 0.00 0.00 179.45 176.45 1ocr s PHE 64 N -2.44 2.19 -0.17 1.91 0.08 -0.47 -0.68 117.98 118.39 1ocr s PHE 64 Ca -0.21 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.24 1ocr s PHE 64 Cb 0.04 -1.04 -0.19 0.00 -0.57 0.00 0.00 43.02 41.26 1ocr s PHE 64 CO 0.74 0.53 0.39 -0.22 -0.10 0.00 0.00 175.22 176.56 1ocr h LYS 65 N 2.91 0.00 -6.59 0.44 3.64 -1.88 -3.39 116.57 111.71 1ocr h LYS 65 Ca -0.43 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.30 1ocr h LYS 65 Cb 1.22 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.81 1ocr h LYS 65 CO 0.53 0.85 -0.86 -1.21 -2.27 0.00 0.00 179.45 176.49 1ocr s GLU 66 N -2.24 1.43 0.67 1.90 2.02 -1.26 -5.02 118.70 116.20 1ocr s GLU 66 Ca -0.22 -1.19 -0.08 0.00 0.02 0.00 0.00 54.97 53.50 1ocr s GLU 66 Cb 0.02 -1.75 0.03 0.00 0.10 0.00 0.00 34.13 32.53 1ocr s GLU 66 CO 0.56 0.43 1.01 -1.54 0.02 0.00 0.00 175.26 175.73 1ocr s SER 67 N -1.71 5.24 0.27 -0.19 1.04 -1.26 -4.82 113.70 112.26 1ocr s SER 67 Ca 0.11 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.28 1ocr s SER 67 Cb -0.10 -1.56 0.44 0.00 0.10 0.00 0.00 66.02 64.91 1ocr s SER 67 CO 0.04 -1.36 1.87 -0.26 0.98 0.00 0.00 173.24 174.51 1ocr h PHE 68 N -0.50 1.19 -0.60 5.02 -1.00 -2.00 0.10 116.94 119.15 1ocr h PHE 68 Ca -0.45 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.35 1ocr h PHE 68 Cb 1.28 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 40.42 1ocr h PHE 68 CO 0.43 0.59 0.34 0.00 -1.61 0.00 0.00 178.31 178.05 1ocr h ALA 69 N 1.48 1.47 -0.20 2.45 0.00 -1.96 -0.76 119.26 121.74 1ocr h ALA 69 Ca 0.45 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1ocr h ALA 69 Cb 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ocr h ALA 69 CO -0.19 0.45 -0.39 0.93 0.00 0.00 0.00 179.25 180.05 1ocr h GLU 70 N 0.83 0.61 0.00 0.00 5.08 -1.22 -3.02 114.58 116.86 1ocr h GLU 70 Ca 0.22 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1ocr h GLU 70 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ocr h GLU 70 CO -0.04 1.01 -0.22 0.00 -1.00 0.00 0.00 179.01 178.76 1ocr h MET 71 N 0.29 0.00 -0.60 2.33 -0.00 -0.68 -2.79 114.93 113.48 1ocr h MET 71 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1ocr h MET 71 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.59 1ocr h MET 71 CO 0.09 0.22 0.00 0.09 -0.00 0.00 0.00 176.91 177.30 1ocr n ASN 72 N -3.40 3.50 -4.77 -0.10 3.02 -0.33 -4.96 115.26 108.22 1ocr n ASN 72 Ca 0.00 -2.20 -0.40 0.00 -0.03 0.00 0.00 54.58 51.95 1ocr n ASN 72 Cb 0.42 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.55 3.83 -0.01 3.52 3.52 -1.06 -5.02 118.95 122.19 1ocr s ARG 73 Ca 0.39 2.40 -0.08 0.00 -0.13 0.00 0.00 55.73 58.31 1ocr s ARG 73 Cb 0.23 -2.74 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 1ocr s ARG 73 CO 0.22 -0.69 0.27 0.45 -0.81 0.00 0.00 175.30 174.74 1ocr s SER 74 N -0.48 6.52 0.54 -2.12 0.15 -1.26 -5.10 113.70 111.95 1ocr s SER 74 Ca 0.58 0.61 0.06 0.00 0.70 0.00 0.00 55.95 57.90 1ocr s SER 74 Cb -0.43 -2.11 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1ocr s SER 74 CO 0.56 0.28 0.42 0.42 1.20 0.00 0.00 173.24 176.12 1ocr s THR 75 N -1.24 1.69 -0.66 6.45 -4.23 -1.26 -5.02 115.64 111.38 1ocr s THR 75 Ca 0.26 -1.46 0.15 0.00 -1.18 0.00 0.00 61.69 59.46 1ocr s THR 75 Cb -0.13 -2.16 0.54 0.00 1.34 0.00 0.00 72.50 72.09 1ocr s THR 75 CO 0.14 0.00 1.46 0.59 -0.54 0.00 0.00 174.62 176.27 1ocr n ASN 76 N -1.79 4.00 -0.28 3.99 3.02 -1.26 -4.63 115.26 118.31 1ocr n ASN 76 Ca -0.01 -2.57 0.06 0.00 -0.03 0.00 0.00 54.58 52.04 1ocr n ASN 76 Cb 0.64 -0.48 0.21 0.00 -0.61 0.00 0.00 39.78 39.54 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 2.65 0.50 -0.99 3.52 4.81 -2.01 -1.65 114.58 121.42 1ocr h GLU 77 Ca 0.00 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.42 1ocr h GLU 77 Cb 1.29 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 1ocr h GLU 77 CO 0.18 0.33 0.63 0.11 -0.73 0.00 0.00 179.01 179.53 1ocr h TRP 78 N 0.52 0.74 -0.27 0.92 5.08 -1.99 0.21 115.95 121.16 1ocr h TRP 78 Ca 0.44 0.02 0.01 0.00 1.08 0.00 0.00 58.89 60.44 1ocr h TRP 78 Cb 0.66 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 26.58 1ocr h TRP 78 CO -0.13 0.14 0.17 0.87 -1.28 0.00 0.00 178.44 178.20 1ocr h LYS 79 N 0.51 0.34 -0.81 0.12 1.57 -1.67 0.28 116.57 116.90 1ocr h LYS 79 Ca 0.55 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1ocr h LYS 79 Cb 1.23 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1ocr h LYS 79 CO -0.29 0.22 0.50 1.15 -0.57 0.00 0.00 179.45 180.46 1ocr h THR 80 N 0.35 1.22 0.19 -0.16 2.02 -0.72 -0.27 112.91 115.55 1ocr h THR 80 Ca 0.10 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1ocr h THR 80 Cb -0.03 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1ocr h THR 80 CO -0.03 0.23 -0.09 0.58 0.37 0.00 0.00 175.52 176.57 1ocr h VAL 81 N 1.11 0.90 -0.39 3.16 2.07 0.31 0.04 116.25 123.44 1ocr h VAL 81 Ca 0.29 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1ocr h VAL 81 Cb -0.06 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1ocr h VAL 81 CO -0.06 0.17 0.18 0.58 0.02 0.00 0.00 177.57 178.46 1ocr h VAL 82 N -0.67 1.18 0.31 2.57 2.07 -0.45 -1.55 116.25 119.70 1ocr h VAL 82 Ca -0.03 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1ocr h VAL 82 Cb 0.48 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1ocr h VAL 82 CO 0.04 0.20 -0.15 1.23 0.02 0.00 0.00 177.57 178.91 1ocr h GLY 83 N 0.49 -0.43 1.20 2.17 0.00 -1.07 -0.84 103.07 104.59 1ocr h GLY 83 Ca 0.13 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1ocr h GLY 83 CO -0.01 -0.16 0.49 0.00 0.00 0.00 0.00 176.54 176.86 1ocr h ALA 84 N 0.27 1.54 0.28 3.60 0.00 -0.92 0.31 119.26 124.34 1ocr h ALA 84 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ocr h ALA 84 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ocr h ALA 84 CO 0.07 0.40 -0.13 0.00 0.00 0.00 0.00 179.25 179.59 1ocr h ALA 85 N 1.56 -0.37 0.00 0.00 0.00 -1.00 -0.81 119.26 118.64 1ocr h ALA 85 Ca 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ocr h ALA 85 Cb -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ocr h ALA 85 CO -0.08 -0.70 -0.13 0.52 0.00 0.00 0.00 179.25 178.87 1ocr h MET 86 N -0.40 0.00 -0.07 0.00 2.86 -0.64 -0.03 114.93 116.66 1ocr h MET 86 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ocr h MET 86 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1ocr h MET 86 CO 0.06 0.13 -0.01 0.35 1.06 0.00 0.00 176.91 178.50 1ocr h PHE 87 N 0.00 0.15 0.00 -0.22 3.57 -0.33 -0.36 116.94 119.74 1ocr h PHE 87 Ca -0.00 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1ocr h PHE 87 Cb 0.25 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ocr h PHE 87 CO 0.00 0.45 -0.39 0.74 -2.23 0.00 0.00 178.31 176.88 1ocr h PHE 88 N -0.20 0.00 -0.39 0.41 0.04 -0.33 0.38 116.94 116.86 1ocr h PHE 88 Ca 0.02 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1ocr h PHE 88 Cb 0.40 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1ocr h PHE 88 CO 0.05 0.39 -0.32 0.82 -0.60 0.00 0.00 178.31 178.64 1ocr h ILE 89 N 0.00 1.28 -0.60 -0.55 2.04 -0.91 -2.01 117.51 116.75 1ocr h ILE 89 Ca -0.00 -1.49 -0.09 0.00 1.00 0.00 0.00 64.86 64.28 1ocr h ILE 89 Cb 0.69 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1ocr h ILE 89 CO 0.05 0.50 0.01 1.23 0.00 0.00 0.00 178.15 179.94 1ocr h GLY 90 N 0.88 1.14 1.11 5.37 0.00 -0.39 -2.32 103.07 108.85 1ocr h GLY 90 Ca 0.08 -0.83 0.08 0.00 0.00 0.00 0.00 47.33 46.66 1ocr h GLY 90 CO 0.08 0.76 0.41 -2.75 0.00 0.00 0.00 176.54 175.04 1ocr h PHE 91 N 0.95 0.54 -0.81 5.60 3.57 -0.68 -0.83 116.94 125.28 1ocr h PHE 91 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1ocr h PHE 91 Cb 0.54 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1ocr h PHE 91 CO 0.04 0.27 0.45 1.15 -2.23 0.00 0.00 178.31 178.00 1ocr h THR 92 N 0.52 1.24 -0.04 4.41 2.02 -0.79 -2.24 112.91 118.03 1ocr h THR 92 Ca 0.27 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1ocr h THR 92 Cb 0.39 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1ocr h THR 92 CO -0.08 0.26 0.11 0.00 0.37 0.00 0.00 175.52 176.18 1ocr h ALA 93 N 1.36 1.34 -0.11 6.16 0.00 -1.10 0.15 119.26 127.06 1ocr h ALA 93 Ca 0.29 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 1ocr h ALA 93 Cb 0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ocr h ALA 93 CO -0.05 -0.13 -0.86 -0.07 0.00 0.00 0.00 179.25 178.14 1ocr h LEU 94 N 0.00 0.93 -0.89 0.00 3.38 -1.46 -0.10 115.31 117.16 1ocr h LEU 94 Ca 0.02 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1ocr h LEU 94 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ocr h LEU 94 CO -0.00 1.45 0.49 -0.07 0.09 0.00 0.00 178.44 180.40 1ocr h LEU 95 N 0.49 1.11 0.07 1.67 3.38 -0.78 0.19 115.31 121.45 1ocr h LEU 95 Ca -0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ocr h LEU 95 Cb 1.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ocr h LEU 95 CO 0.17 0.89 -0.03 -0.07 0.09 0.00 0.00 178.44 179.49 1ocr h LEU 96 N 1.24 -0.08 -0.52 1.67 3.38 -1.25 0.72 115.31 120.48 1ocr h LEU 96 Ca 0.31 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1ocr h LEU 96 Cb 0.03 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1ocr h LEU 96 CO -0.05 0.03 0.18 0.40 0.09 0.00 0.00 178.44 179.09 1ocr h ILE 97 N -0.18 0.81 -0.48 1.22 2.04 -0.58 -0.65 117.51 119.69 1ocr h ILE 97 Ca -0.01 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1ocr h ILE 97 Cb 0.15 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1ocr h ILE 97 CO 0.02 0.06 0.25 -0.25 0.00 0.00 0.00 178.15 178.23 1ocr h TRP 98 N 0.36 0.46 -0.55 1.37 7.01 -0.04 -2.05 115.95 122.51 1ocr h TRP 98 Ca 0.25 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.28 1ocr h TRP 98 Cb 0.28 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1ocr h TRP 98 CO -0.17 0.24 0.35 1.49 -2.79 0.00 0.00 178.44 177.56 1ocr h GLU 99 N 0.49 0.69 -0.82 2.65 4.81 0.05 -0.56 114.58 121.89 1ocr h GLU 99 Ca 0.21 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1ocr h GLU 99 Cb 0.10 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1ocr h GLU 99 CO -0.13 0.46 0.41 -0.22 -0.73 0.00 0.00 179.01 178.79 1ocr h LYS 100 N 0.71 1.17 0.04 1.92 1.63 -0.65 -0.45 116.57 120.93 1ocr h LYS 100 Ca 0.21 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1ocr h LYS 100 Cb -0.05 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 1ocr h LYS 100 CO -0.06 0.89 -0.02 1.25 -3.45 0.00 0.00 179.45 178.05 1ocr h HIS 101 N 1.16 -0.05 0.00 1.91 2.76 -1.07 -3.35 115.15 116.52 1ocr h HIS 101 Ca 0.28 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1ocr h HIS 101 Cb 0.09 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1ocr h HIS 101 CO 0.01 0.59 -1.75 0.66 -1.30 0.00 0.00 177.93 176.14 1ocr n TYR 102 N -4.78 0.37 -0.10 5.26 4.01 -0.25 -4.70 117.16 116.97 1ocr n TYR 102 Ca -0.09 0.11 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 1ocr n TYR 102 Cb 0.33 -0.77 -0.08 0.00 -0.31 0.00 0.00 39.34 38.50 1ocr n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ocr n VAL 103 N -2.53 1.17 -2.46 -0.72 0.31 -0.27 -4.98 118.33 108.85 1ocr n VAL 103 Ca -0.09 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 1ocr n VAL 103 Cb 0.70 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 32.09 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 -2.40 3.32 0.00 3.52 2.02 -0.66 -5.05 117.35 118.11 1ocr s TYR 104 Ca -0.29 1.28 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 1ocr s TYR 104 Cb 0.09 -3.40 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1ocr s TYR 104 CO 0.42 -1.21 0.00 0.41 -1.57 0.00 0.00 175.55 173.60 1ocr n GLY 105 N 3.27 -0.61 3.83 0.71 0.00 -1.26 -4.80 105.19 106.34 1ocr n GLY 105 Ca 0.10 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.97 4.13 0.66 1.61 0.04 -1.26 -5.07 135.00 134.15 1ocr s PRO 106 Ca 0.00 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 1ocr s PRO 106 Cb 0.00 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 1ocr s PRO 106 CO 0.00 0.22 1.05 0.96 0.04 0.00 0.00 177.00 179.26 1ocr s ILE 107 N -1.85 4.30 0.53 0.56 -0.00 -1.26 -5.00 121.20 118.49 1ocr s ILE 107 Ca 0.51 0.75 -0.20 0.00 -0.00 0.00 0.00 60.65 61.71 1ocr s ILE 107 Cb -0.12 -3.61 -0.09 0.00 -0.00 0.00 0.00 42.46 38.64 1ocr s ILE 107 CO 0.18 -0.97 0.65 -2.65 -0.00 0.00 0.00 174.94 172.15 1ocr n PRO 108 N -2.96 0.68 0.02 0.37 -0.02 -1.26 -4.85 135.00 126.97 1ocr n PRO 108 Ca 0.07 0.26 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 1ocr n PRO 108 Cb 0.54 -1.78 0.13 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.41 0.09 1.90 6.00 1.44 -1.26 -2.37 115.22 119.60 1ocr n HIS 109 Ca 0.12 0.04 0.11 0.00 -2.01 0.00 0.00 57.72 55.98 1ocr n HIS 109 Cb 0.45 -0.57 0.67 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.59 0.00 0.87 0.61 -2.24 -1.26 -3.32 114.28 107.35 1ocr n THR 110 Ca 0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1ocr n THR 110 Cb 0.05 -0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 -0.87 0.05 -2.16 4.78 3.72 -1.00 -4.26 117.46 117.72 1ocr n PHE 111 Ca 0.17 0.01 -0.36 0.00 -0.05 0.00 0.00 57.45 57.23 1ocr n PHE 111 Cb 0.08 -0.17 0.01 0.00 -0.94 0.00 0.00 39.48 38.46 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 -3.06 3.26 0.26 -1.08 -1.05 -1.21 -4.77 118.70 111.04 1ocr s GLU 112 Ca 0.07 1.72 -0.11 0.00 -0.15 0.00 0.00 54.97 56.50 1ocr s GLU 112 Cb 0.16 -2.02 0.38 0.00 -0.44 0.00 0.00 34.13 32.21 1ocr s GLU 112 CO 0.82 -0.95 1.57 0.93 0.95 0.00 0.00 175.26 178.57 1ocr h GLU 113 N 1.17 -0.01 0.40 -4.83 5.08 -1.93 -2.01 114.58 112.46 1ocr h GLU 113 Ca -0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 1ocr h GLU 113 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1ocr h GLU 113 CO 0.57 -0.00 -0.31 1.49 -1.00 0.00 0.00 179.01 179.75 1ocr h GLU 114 N -0.01 -0.68 -0.24 2.33 4.81 -1.98 -1.76 114.58 117.04 1ocr h GLU 114 Ca 0.42 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.76 1ocr h GLU 114 Cb 0.66 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.13 1ocr h GLU 114 CO -0.96 -0.46 -0.22 2.35 -0.73 0.00 0.00 179.01 178.99 1ocr h TRP 115 N -0.71 -0.58 0.00 0.92 2.91 -1.72 -0.63 115.95 116.14 1ocr h TRP 115 Ca -0.04 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1ocr h TRP 115 Cb 0.61 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1ocr h TRP 115 CO -0.15 -0.30 -0.10 -0.39 -1.03 0.00 0.00 178.44 176.47 1ocr h VAL 116 N -0.23 0.79 -0.23 2.65 -1.51 -1.35 0.54 116.25 116.92 1ocr h VAL 116 Ca 0.14 -0.40 -0.11 0.00 -1.23 0.00 0.00 66.70 65.11 1ocr h VAL 116 Cb 0.44 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1ocr h VAL 116 CO -0.38 0.10 -0.27 0.00 -1.23 0.00 0.00 177.57 175.80 1ocr h ALA 117 N 1.90 0.34 -0.15 5.19 0.00 -0.24 0.58 119.26 126.87 1ocr h ALA 117 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1ocr h ALA 117 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ocr h ALA 117 CO 0.01 0.33 -0.45 0.87 0.00 0.00 0.00 179.25 180.02 1ocr h LYS 118 N 0.28 0.57 -0.98 0.00 1.57 -0.34 -2.51 116.57 115.16 1ocr h LYS 118 Ca 0.03 -0.41 0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1ocr h LYS 118 Cb 0.84 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1ocr h LYS 118 CO 0.06 1.03 0.64 0.37 -0.57 0.00 0.00 179.45 180.99 1ocr h GLN 119 N 0.22 1.20 -0.31 3.15 4.15 0.04 0.24 115.11 123.80 1ocr h GLN 119 Ca -0.01 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 1ocr h GLN 119 Cb 1.07 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.47 1ocr h GLN 119 CO 0.10 0.79 -0.09 1.15 -1.93 0.00 0.00 178.83 178.85 1ocr h THR 120 N 1.24 1.22 -0.08 2.39 2.02 -0.79 0.91 112.91 119.82 1ocr h THR 120 Ca 0.39 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1ocr h THR 120 Cb -0.00 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ocr h THR 120 CO -0.12 0.32 -0.07 0.50 0.37 0.00 0.00 175.52 176.52 1ocr h LYS 121 N 0.48 0.18 -0.73 6.66 3.11 -0.67 -0.02 116.57 125.58 1ocr h LYS 121 Ca 0.09 -0.09 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1ocr h LYS 121 Cb 0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 1ocr h LYS 121 CO 0.02 0.60 0.44 -0.09 -2.81 0.00 0.00 179.45 177.62 1ocr h ARG 122 N -0.23 0.81 -0.10 1.90 2.43 -0.06 0.41 114.38 119.54 1ocr h ARG 122 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ocr h ARG 122 Cb 0.56 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1ocr h ARG 122 CO 0.02 0.54 0.05 0.52 -1.51 0.00 0.00 179.97 179.59 1ocr h MET 123 N 0.83 0.11 0.00 0.20 2.86 -0.74 0.54 114.93 118.74 1ocr h MET 123 Ca 0.31 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1ocr h MET 123 Cb 0.10 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1ocr h MET 123 CO -0.15 0.07 -0.06 -0.07 1.06 0.00 0.00 176.91 177.77 1ocr h LEU 124 N 0.11 0.00 -0.16 1.22 3.38 0.55 -2.00 115.31 118.42 1ocr h LEU 124 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1ocr h LEU 124 Cb -0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ocr h LEU 124 CO -0.02 0.06 -0.52 0.44 0.09 0.00 0.00 178.44 178.49 1ocr h ASP 125 N 0.00 0.73 -0.18 -0.43 3.32 0.15 -2.89 116.42 117.11 1ocr h ASP 125 Ca -0.00 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1ocr h ASP 125 Cb 0.13 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1ocr h ASP 125 CO 0.01 1.20 0.00 1.15 -1.72 0.00 0.00 179.24 179.88 1ocr n MET 126 N -4.17 1.56 -3.77 3.56 0.00 0.01 -4.92 117.12 109.40 1ocr n MET 126 Ca -0.07 -0.72 -0.23 0.00 0.00 0.00 0.00 57.70 56.68 1ocr n MET 126 Cb 0.61 -1.27 0.03 0.00 0.00 0.00 0.00 33.22 32.59 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 0.08 -4.85 -1.65 3.17 4.01 -0.81 -4.87 118.16 113.24 1ocr n LYS 127 Ca 0.07 0.59 -0.42 0.00 -0.51 0.00 0.00 58.31 58.03 1ocr n LYS 127 Cb 0.23 -5.17 -0.03 0.00 -0.51 0.00 0.00 35.03 29.56 1ocr n LYS 127 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1ocr s VAL 128 N -3.63 3.01 -0.81 -0.18 1.01 -0.85 -3.21 120.40 115.74 1ocr s VAL 128 Ca 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1ocr s VAL 128 Cb -0.06 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1ocr s VAL 128 CO 0.82 -0.00 0.70 0.00 0.00 0.00 0.00 175.10 176.62 1ocr n ALA 129 N 8.95 -2.59 0.68 5.51 0.00 -1.26 -1.62 120.51 130.19 1ocr n ALA 129 Ca 0.23 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.72 1ocr n ALA 129 Cb 0.42 -1.76 0.38 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.27 0.22 0.06 0.00 -0.04 -1.20 -1.51 135.00 130.26 1ocr n PRO 130 Ca -0.10 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 1ocr n PRO 130 Cb 0.57 -1.73 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 -3.35 117.51 115.81 1ocr h ILE 131 Ca 0.00 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1ocr h ILE 131 Cb 0.70 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1ocr h ILE 131 CO 0.00 0.82 0.00 0.00 0.00 0.00 0.00 178.15 178.97 1ocr n GLN 132 N -3.49 0.00 -0.00 2.37 6.02 -1.26 -4.86 117.38 116.16 1ocr n GLN 132 Ca -0.21 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.66 1ocr n GLN 132 Cb 1.06 -0.27 -0.09 0.00 1.02 0.00 0.00 30.24 31.95 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 -0.09 0.00 1.08 0.00 -1.89 -3.44 103.07 98.73 1ocr h GLY 133 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ocr h GLY 133 CO 0.00 -0.03 0.00 0.33 0.00 0.00 0.00 176.54 176.84 1ocr n PHE 134 N -4.81 0.00 0.31 5.60 7.35 -0.57 -4.84 117.46 120.51 1ocr n PHE 134 Ca -0.08 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.80 1ocr n PHE 134 Cb 0.31 0.07 1.06 0.00 0.35 0.00 0.00 39.48 41.27 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 0.53 -2.13 0.02 -0.80 0.19 113.55 111.37 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 -2.18 2.10 -0.15 3.77 0.00 -1.19 -1.92 120.51 120.95 1ocr n ALA 136 Ca -0.03 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1ocr n ALA 136 Cb 0.11 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.36 2.62 -4.84 0.00 5.02 0.68 -4.92 118.16 115.37 1ocr n LYS 137 Ca 0.09 -2.28 -0.33 0.00 -2.02 0.00 0.00 58.31 53.77 1ocr n LYS 137 Cb 0.20 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.07 2.75 -0.66 2.13 -0.11 -0.81 -0.45 118.94 120.72 1ocr s TRP 138 Ca 0.35 -0.35 -0.20 0.00 1.22 0.00 0.00 56.10 57.12 1ocr s TRP 138 Cb 0.19 -1.72 0.09 0.00 -1.50 0.00 0.00 33.47 30.54 1ocr s TRP 138 CO 0.25 0.03 0.86 0.34 -4.62 0.00 0.00 176.95 173.81 1ocr s ASP 139 N -0.30 6.24 0.63 5.86 -1.08 0.76 -4.64 116.67 124.14 1ocr s ASP 139 Ca 0.02 -1.34 0.39 0.00 -0.52 0.00 0.00 52.55 51.11 1ocr s ASP 139 Cb -0.13 -2.36 2.11 0.00 -1.46 0.00 0.00 42.92 41.08 1ocr s ASP 139 CO 0.03 -1.24 2.28 1.88 0.52 0.00 0.00 175.17 178.64 1ocr h TYR 140 N 9.28 0.00 0.02 -5.34 0.05 -1.90 -2.29 116.97 116.80 1ocr h TYR 140 Ca -0.24 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.54 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 0.93 0.01 -0.01 -0.44 -1.05 0.00 0.00 178.16 177.60 1ocr h ASP 141 N 0.00 -0.03 -0.10 3.88 5.19 -1.92 -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 0.09 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1ocr h ASP 141 CO 0.00 0.38 0.00 0.29 -3.12 0.00 0.00 179.24 176.79 1ocr n LYS 142 N -4.28 1.26 -4.02 3.56 5.02 -1.23 -4.91 118.16 113.55 1ocr n LYS 142 Ca -0.00 -0.40 -0.26 0.00 -2.02 0.00 0.00 58.31 55.63 1ocr n LYS 142 Cb 0.01 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.24 -0.05 -3.79 4.39 3.02 -0.87 -4.97 115.26 112.76 1ocr n ASN 143 Ca 0.07 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.46 1ocr n ASN 143 Cb 0.11 -2.77 -0.07 0.00 -0.61 0.00 0.00 39.78 36.44 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 -6.72 0.84 0.17 3.52 -1.05 -1.19 -5.02 118.70 109.25 1ocr s GLU 144 Ca 0.00 -0.72 -0.31 0.00 -0.15 0.00 0.00 54.97 53.79 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 1.39 -1.58 0.95 0.00 0.00 175.26 176.65 1ocr s TRP 145 N -3.23 3.19 0.74 4.83 0.52 -1.26 -0.17 118.94 123.56 1ocr s TRP 145 Ca -0.00 1.02 -0.16 0.00 0.02 0.00 0.00 56.10 56.98 1ocr s TRP 145 Cb 0.02 -3.70 0.00 0.00 -1.15 0.00 0.00 33.47 28.63 1ocr s TRP 145 CO -0.08 -2.36 0.84 1.63 0.02 0.00 0.00 176.95 177.00 1ocr n LYS 146 N 3.24 0.39 0.00 4.98 5.02 0.40 -4.70 118.16 127.48 1ocr n LYS 146 Ca 0.09 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1ocr n LYS 146 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1ocr n LYS 146 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05