#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 1.07 -3.62 0.00 2.88 -1.26 -5.21 113.62 107.49 1ocr n SER 2 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1ocr n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1ocr n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ocr s ALA 3 N -1.27 -2.05 0.00 -1.46 0.00 -1.26 -5.14 121.76 110.58 1ocr s ALA 3 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1ocr s ALA 3 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1ocr s ALA 3 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 175.76 175.50 1ocr n ALA 4 N 0.65 0.00 -1.81 0.00 0.00 -1.26 -5.08 120.51 113.02 1ocr n ALA 4 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1ocr n ALA 4 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.08 1ocr n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ocr n LYS 5 N 0.00 2.98 0.00 0.00 2.85 -1.26 -5.04 118.16 117.69 1ocr n LYS 5 Ca 0.00 -3.69 0.00 0.00 -1.05 0.00 0.00 58.31 53.57 1ocr n LYS 5 Cb 0.00 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 1ocr n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ocr n GLY 6 N -0.70 -0.07 3.82 2.58 0.00 -1.26 -4.88 105.19 104.69 1ocr n GLY 6 Ca 0.53 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1ocr n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocr s ASP 7 N -4.00 4.44 0.00 1.61 2.15 -1.26 -4.94 116.67 114.67 1ocr s ASP 7 Ca 0.00 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.66 1ocr s ASP 7 Cb 0.00 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 1ocr s ASP 7 CO 0.00 -0.89 0.00 1.41 -0.17 0.00 0.00 175.17 175.52 1ocr n HIS 8 N -1.49 0.00 -2.50 -5.34 8.25 -1.26 -5.03 115.22 107.85 1ocr n HIS 8 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 1ocr n HIS 8 Cb 0.65 -1.37 0.05 0.00 1.12 0.00 0.00 29.99 30.44 1ocr n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ocr n GLY 9 N -0.57 2.53 3.64 -1.41 0.00 -1.26 -4.97 105.19 103.15 1ocr n GLY 9 Ca 0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 1ocr n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ocr s GLY 10 N -3.19 0.09 -0.07 -0.02 0.00 -1.26 -5.11 107.32 97.76 1ocr s GLY 10 Ca 0.34 2.87 -0.05 0.00 0.00 0.00 0.00 44.72 47.87 1ocr s GLY 10 CO -0.07 1.29 0.11 -1.30 0.00 0.00 0.00 173.10 173.13 1ocr n THR 11 N 0.81-12.89 0.00 0.90 -2.24 -1.26 -5.01 114.28 94.59 1ocr n THR 11 Ca -0.04 2.94 0.00 0.00 -2.27 0.00 0.00 64.05 64.68 1ocr n THR 11 Cb 0.58 -6.18 0.00 0.00 -2.10 0.00 0.00 70.33 62.63 1ocr n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocr n GLY 12 N 1.82 3.60 0.30 3.38 0.00 -1.26 -4.76 105.19 108.27 1ocr n GLY 12 Ca -0.18 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 44.99 1ocr n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr h ALA 13 N 0.00 2.04 -0.58 4.61 0.00 -1.99 0.76 119.26 124.10 1ocr h ALA 13 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ocr h ALA 13 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ocr h ALA 13 CO 0.00 -0.16 -0.01 -0.09 0.00 0.00 0.00 179.25 178.99 1ocr h ARG 14 N 0.00 1.00 -0.46 0.00 2.43 -1.99 -1.55 114.38 113.82 1ocr h ARG 14 Ca 0.06 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 1ocr h ARG 14 Cb 0.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1ocr h ARG 14 CO -0.00 0.99 0.14 1.15 -1.51 0.00 0.00 179.97 180.74 1ocr h THR 15 N 0.92 1.23 0.00 0.20 2.02 -1.17 0.35 112.91 116.45 1ocr h THR 15 Ca 0.17 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1ocr h THR 15 Cb 0.54 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1ocr h THR 15 CO 0.03 0.27 0.00 -0.50 0.37 0.00 0.00 175.52 175.69 1ocr h TRP 16 N 0.61 0.00 0.18 3.16 4.06 -1.25 0.14 115.95 122.85 1ocr h TRP 16 Ca 0.15 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.80 1ocr h TRP 16 Cb 0.28 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.47 1ocr h TRP 16 CO 0.01 0.00 -1.27 -0.09 -3.56 0.00 0.00 178.44 173.53 1ocr h ARG 17 N 0.00 0.54 -0.19 0.49 1.12 -0.82 -1.14 114.38 114.39 1ocr h ARG 17 Ca 0.00 -0.83 0.01 0.00 -1.11 0.00 0.00 59.98 58.05 1ocr h ARG 17 Cb 0.59 0.29 -0.01 0.00 -0.01 0.00 0.00 29.97 30.83 1ocr h ARG 17 CO 0.00 1.38 0.11 0.35 -3.11 0.00 0.00 179.97 178.70 1ocr h PHE 18 N 0.12 0.20 -0.30 2.20 3.57 0.04 -0.64 116.94 122.13 1ocr h PHE 18 Ca -0.21 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.18 1ocr h PHE 18 Cb 1.97 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 1ocr h PHE 18 CO 0.13 0.12 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.98 1ocr h LEU 19 N 0.22 0.63 -0.05 0.59 3.38 -0.78 0.21 115.31 119.52 1ocr h LEU 19 Ca 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ocr h LEU 19 Cb -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ocr h LEU 19 CO -0.04 0.88 0.03 0.74 0.09 0.00 0.00 178.44 180.15 1ocr h THR 20 N 0.53 1.04 0.00 0.22 2.02 -0.51 -0.73 112.91 115.48 1ocr h THR 20 Ca 0.07 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1ocr h THR 20 Cb 0.76 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1ocr h THR 20 CO 0.06 0.03 -1.00 -0.26 0.37 0.00 0.00 175.52 174.72 1ocr h PHE 21 N 0.03 0.00 0.00 3.16 0.04 -1.10 -1.26 116.94 117.82 1ocr h PHE 21 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ocr h PHE 21 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1ocr h PHE 21 CO -0.07 0.34 -1.18 0.41 -0.60 0.00 0.00 178.31 177.21 1ocr n GLY 22 N 1.27 -1.13 1.64 -1.45 0.00 0.74 -4.47 105.19 101.79 1ocr n GLY 22 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1ocr n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ocr n LEU 23 N -1.91 0.20 0.25 0.99 7.94 -0.53 -4.80 117.00 119.15 1ocr n LEU 23 Ca 0.01 0.26 -0.12 0.00 -1.11 0.00 0.00 56.01 55.05 1ocr n LEU 23 Cb 0.44 0.10 -0.06 0.00 0.53 0.00 0.00 43.42 44.42 1ocr n LEU 23 CO 0.42 -0.64 0.52 0.00 -1.11 0.00 0.00 177.39 176.58 1ocr h ALA 24 N 0.00 -1.11 -0.88 1.96 0.00 -1.19 -2.31 119.26 115.73 1ocr h ALA 24 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ocr h ALA 24 Cb 0.12 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1ocr h ALA 24 CO 0.00 -1.09 0.56 -0.07 0.00 0.00 0.00 179.25 178.65 1ocr h LEU 25 N -0.73 0.90 -1.53 0.00 3.38 -1.47 -1.99 115.31 113.86 1ocr h LEU 25 Ca -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ocr h LEU 25 Cb 0.60 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ocr h LEU 25 CO 0.04 0.59 0.17 -0.65 0.09 0.00 0.00 178.44 178.68 1ocr h PRO 26 N 1.04 0.48 -0.71 1.13 0.11 -1.76 -1.47 132.00 130.81 1ocr h PRO 26 Ca 0.37 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 1ocr h PRO 26 Cb 0.11 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1ocr h PRO 26 CO -0.15 0.38 0.26 0.77 -0.21 0.00 0.00 178.00 179.04 1ocr h SER 27 N 0.48 1.00 -0.59 -2.05 0.02 -0.79 -1.26 113.55 110.37 1ocr h SER 27 Ca 0.12 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1ocr h SER 27 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1ocr h SER 27 CO -0.02 0.90 0.01 0.58 -1.14 0.00 0.00 176.83 177.17 1ocr h VAL 28 N 1.04 1.26 -0.53 2.27 2.07 -0.93 -1.40 116.25 120.04 1ocr h VAL 28 Ca 0.24 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 1ocr h VAL 28 Cb 0.24 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1ocr h VAL 28 CO -0.01 0.41 0.06 0.00 0.02 0.00 0.00 177.57 178.04 1ocr h ALA 29 N 1.05 0.71 -0.05 1.67 0.00 -0.67 0.17 119.26 122.14 1ocr h ALA 29 Ca 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ocr h ALA 29 Cb 0.53 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ocr h ALA 29 CO 0.03 0.47 0.02 -0.07 0.00 0.00 0.00 179.25 179.70 1ocr h LEU 30 N 0.78 0.06 -1.95 0.00 3.38 -1.11 0.14 115.31 116.61 1ocr h LEU 30 Ca 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ocr h LEU 30 Cb 0.45 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ocr h LEU 30 CO 0.02 0.18 -0.11 0.00 0.09 0.00 0.00 178.44 178.62 1ocr h THR 32 N 0.00 1.30 0.03 0.00 2.02 -0.05 -0.13 112.91 116.07 1ocr h THR 32 Ca -0.00 -2.08 -0.00 0.00 0.77 0.00 0.00 66.41 65.10 1ocr h THR 32 Cb 0.31 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1ocr h THR 32 CO 0.01 0.65 -0.01 0.25 0.37 0.00 0.00 175.52 176.79 1ocr h LEU 33 N 0.38 -0.03 0.74 2.58 5.85 -0.16 -2.75 115.31 121.92 1ocr h LEU 33 Ca -0.09 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1ocr h LEU 33 Cb 1.50 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 1ocr h LEU 33 CO 0.17 0.04 -0.43 -1.13 -0.34 0.00 0.00 178.44 176.76 1ocr h ASN 34 N -0.11 -1.06 0.00 1.25 -1.24 -1.09 0.20 115.58 113.53 1ocr h ASN 34 Ca -0.00 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1ocr h ASN 34 Cb 0.10 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1ocr h ASN 34 CO 0.01 -0.68 0.00 -1.20 -1.29 0.00 0.00 177.43 174.27 1ocr n SER 35 N -5.57 0.00 0.00 1.15 7.64 -0.06 -0.55 113.62 116.22 1ocr n SER 35 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1ocr n SER 35 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1ocr n SER 35 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1ocr n TRP 36 N -0.74 0.00 -0.24 1.43 -0.00 -0.84 -3.84 117.44 113.22 1ocr n TRP 36 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 1ocr n TRP 36 Cb 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 31.31 31.60 1ocr n TRP 36 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ocr n LEU 37 N -0.78 4.13 0.00 5.87 4.32 0.64 -4.13 117.00 127.05 1ocr n LEU 37 Ca 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 56.01 53.90 1ocr n LEU 37 Cb 0.00 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 1ocr n LEU 37 CO 0.00 0.58 0.00 1.41 -1.22 0.00 0.00 177.39 178.16 1ocr n HIS 38 N 0.61 -0.05 -2.05 -1.77 8.25 -0.94 -4.99 115.22 114.27 1ocr n HIS 38 Ca 0.20 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.26 1ocr n HIS 38 Cb 0.83 0.36 -0.03 0.00 1.12 0.00 0.00 29.99 32.28 1ocr n HIS 38 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ocr s SER 39 N -4.37 5.53 0.00 0.41 0.01 -1.25 -4.82 113.70 109.21 1ocr s SER 39 Ca 0.00 0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1ocr s SER 39 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1ocr s SER 39 CO 0.00 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.15 1ocr n GLY 40 N 5.57 1.11 3.33 3.44 0.00 -1.26 -4.80 105.19 112.58 1ocr n GLY 40 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1ocr n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ocr s HIS 41 N 1.33 -0.74 -0.05 1.61 3.76 -1.26 -5.13 115.29 114.82 1ocr s HIS 41 Ca 0.00 1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 56.10 1ocr s HIS 41 Cb 0.00 0.34 -0.02 0.00 1.11 0.00 0.00 32.58 34.01 1ocr s HIS 41 CO 0.00 -0.41 1.02 -0.98 -0.85 0.00 0.00 174.74 173.52 1ocr s ARG 42 N 1.80 4.47 0.27 1.40 1.70 -1.26 -4.98 118.95 122.35 1ocr s ARG 42 Ca -0.07 1.45 -0.31 0.00 -0.47 0.00 0.00 55.73 56.33 1ocr s ARG 42 Cb -0.09 -3.50 -0.12 0.00 -0.57 0.00 0.00 34.95 30.68 1ocr s ARG 42 CO -0.14 -0.21 1.63 0.39 -1.08 0.00 0.00 175.30 175.89 1ocr n GLU 43 N 4.50 2.73 -1.68 3.89 -0.58 -1.26 -4.87 120.64 123.36 1ocr n GLU 43 Ca 0.08 0.97 -0.45 0.00 -0.42 0.00 0.00 57.16 57.34 1ocr n GLU 43 Cb 0.49 -2.78 -0.04 0.00 -0.57 0.00 0.00 31.44 28.55 1ocr n GLU 43 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1ocr n ARG 44 N 2.63 2.42 -1.67 3.49 1.85 -1.26 -4.91 116.66 119.21 1ocr n ARG 44 Ca 0.10 0.88 -0.41 0.00 -1.00 0.00 0.00 57.85 57.42 1ocr n ARG 44 Cb 0.36 -2.70 0.01 0.00 -1.05 0.00 0.00 32.46 29.08 1ocr n ARG 44 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1ocr n PRO 45 N 4.55 1.74 -1.94 2.89 -0.02 -1.26 -4.94 135.00 136.02 1ocr n PRO 45 Ca 0.18 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1ocr n PRO 45 Cb 0.32 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1ocr n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ocr s ALA 46 N -1.22 3.69 -0.14 3.55 0.00 -1.26 -4.94 121.76 121.44 1ocr s ALA 46 Ca 0.62 1.39 -0.26 0.00 0.00 0.00 0.00 51.96 53.71 1ocr s ALA 46 Cb -0.53 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 18.99 1ocr s ALA 46 CO 0.58 -0.80 0.87 0.12 0.00 0.00 0.00 175.76 176.52 1ocr s PHE 47 N 0.26 3.46 -0.05 0.00 5.36 -1.26 -5.01 117.98 120.73 1ocr s PHE 47 Ca 0.63 1.35 -0.02 0.00 -0.96 0.00 0.00 56.93 57.93 1ocr s PHE 47 Cb -0.44 -3.04 0.03 0.00 -0.34 0.00 0.00 43.02 39.23 1ocr s PHE 47 CO 0.41 -0.21 0.04 -1.50 -1.46 0.00 0.00 175.22 172.50 1ocr s ILE 48 N 2.01 0.07 -0.09 3.12 2.07 -1.26 -5.06 121.20 122.05 1ocr s ILE 48 Ca 0.41 0.31 -0.01 0.00 -1.41 0.00 0.00 60.65 59.96 1ocr s ILE 48 Cb -0.17 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 1ocr s ILE 48 CO 0.14 0.21 1.10 -0.81 -1.91 0.00 0.00 174.94 173.67 1ocr n PRO 49 N 5.22 0.22 -2.07 3.50 -0.04 -1.26 -4.93 135.00 135.63 1ocr n PRO 49 Ca -0.05 -0.57 -0.37 0.00 -0.04 0.00 0.00 63.50 62.46 1ocr n PRO 49 Cb 0.50 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1ocr n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ocr s TYR 50 N 4.73 2.64 -0.43 0.54 2.02 -1.26 -4.93 117.35 120.67 1ocr s TYR 50 Ca 0.04 1.47 0.23 0.00 -0.37 0.00 0.00 57.07 58.45 1ocr s TYR 50 Cb 0.01 -3.54 0.29 0.00 -0.40 0.00 0.00 41.96 38.32 1ocr s TYR 50 CO -0.00 -2.05 1.43 0.45 -1.57 0.00 0.00 175.55 173.81 1ocr h HIS 51 N 1.79 0.00 -0.30 2.71 3.86 -1.99 -3.25 115.15 117.96 1ocr h HIS 51 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1ocr h HIS 51 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1ocr h HIS 51 CO 0.50 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.90 1ocr n HIS 52 N -2.78 0.49 -4.50 2.45 1.44 -1.26 -4.85 115.22 106.21 1ocr n HIS 52 Ca 0.03 -0.22 -0.24 0.00 -2.01 0.00 0.00 57.72 55.27 1ocr n HIS 52 Cb 0.52 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.50 1ocr n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ocr s LEU 53 N -1.02 2.04 -1.42 2.39 1.43 -1.23 -4.85 118.68 116.02 1ocr s LEU 53 Ca 0.21 -1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 51.60 1ocr s LEU 53 Cb 0.12 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.15 1ocr s LEU 53 CO 0.13 -0.82 0.26 0.54 0.23 0.00 0.00 176.35 176.69 1ocr n ARG 54 N -0.84 -0.64 -2.31 1.70 3.00 -1.26 -4.84 116.66 111.47 1ocr n ARG 54 Ca -0.05 0.07 -0.40 0.00 -0.01 0.00 0.00 57.85 57.46 1ocr n ARG 54 Cb 0.66 -3.13 -0.03 0.00 0.00 0.00 0.00 32.46 29.95 1ocr n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ocr s ILE 55 N -4.06 3.13 -0.38 0.55 -1.09 -1.26 -4.78 121.20 113.32 1ocr s ILE 55 Ca 0.19 1.13 0.03 0.00 -2.23 0.00 0.00 60.65 59.78 1ocr s ILE 55 Cb -0.11 -3.72 0.16 0.00 -1.58 0.00 0.00 42.46 37.21 1ocr s ILE 55 CO 0.99 0.27 0.37 -0.13 -1.23 0.00 0.00 174.94 175.21 1ocr s ARG 56 N -1.55 0.67 -0.01 2.79 1.81 -1.26 -4.95 118.95 116.44 1ocr s ARG 56 Ca 0.47 -1.00 0.22 0.00 -1.72 0.00 0.00 55.73 53.70 1ocr s ARG 56 Cb -0.36 -0.80 -0.28 0.00 -0.45 0.00 0.00 34.95 33.07 1ocr s ARG 56 CO 0.46 -1.21 0.69 0.25 -0.68 0.00 0.00 175.30 174.80 1ocr n THR 57 N 4.09 0.01 -3.64 0.02 -2.24 -1.26 -4.91 114.28 106.35 1ocr n THR 57 Ca 0.13 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1ocr n THR 57 Cb 0.45 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.06 1ocr n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ocr s LYS 58 N -3.28 0.76 0.36 -0.78 2.20 -1.26 -5.15 119.74 112.59 1ocr s LYS 58 Ca -0.01 1.13 -0.28 0.00 -0.36 0.00 0.00 55.97 56.46 1ocr s LYS 58 Cb 0.15 0.25 -0.10 0.00 -1.51 0.00 0.00 37.83 36.62 1ocr s LYS 58 CO 0.89 -0.13 1.34 -1.25 -0.36 0.00 0.00 175.35 175.83 1ocr s PRO 59 N 1.14 4.20 0.45 4.03 0.04 -1.26 -4.96 135.00 138.64 1ocr s PRO 59 Ca -0.06 2.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.99 1ocr s PRO 59 Cb -0.05 -2.96 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 1ocr s PRO 59 CO -0.12 -0.33 1.44 1.19 0.04 0.00 0.00 177.00 179.23 1ocr n PHE 60 N 0.55 2.75 -0.26 0.56 3.72 -0.99 -4.84 117.46 118.94 1ocr n PHE 60 Ca 0.01 0.44 -0.01 0.00 -0.05 0.00 0.00 57.45 57.83 1ocr n PHE 60 Cb 0.42 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.49 1ocr n PHE 60 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ocr n SER 61 N -0.16 4.99 -3.49 4.37 3.41 -1.26 -3.81 113.62 117.67 1ocr n SER 61 Ca 0.05 -2.39 -0.15 0.00 -0.26 0.00 0.00 58.87 56.11 1ocr n SER 61 Cb 0.41 -1.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.31 1ocr n SER 61 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1ocr s TRP 62 N -0.16 -0.58 0.00 7.33 -2.14 -1.26 -5.03 118.94 117.09 1ocr s TRP 62 Ca 0.03 0.80 0.00 0.00 2.66 0.00 0.00 56.10 59.59 1ocr s TRP 62 Cb 0.02 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 30.86 1ocr s TRP 62 CO 0.00 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 1ocr n GLY 63 N 0.45 2.94 1.10 3.67 0.00 -1.26 -1.49 105.19 110.60 1ocr n GLY 63 Ca -0.17 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1ocr n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ocr n ASP 64 N 3.48 3.20 -1.41 1.61 5.75 -1.26 -4.93 116.55 122.98 1ocr n ASP 64 Ca 0.00 -2.17 -0.18 0.00 -0.01 0.00 0.00 54.79 52.43 1ocr n ASP 64 Cb 0.00 -0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 39.59 1ocr n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ocr n GLY 65 N 1.10 1.79 0.00 6.12 0.00 -0.56 -4.76 105.19 108.88 1ocr n GLY 65 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ocr n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ocr n ASN 66 N -1.09 0.43 -4.21 1.61 5.15 -1.26 -2.35 115.26 113.54 1ocr n ASN 66 Ca -0.18 -1.06 -0.33 0.00 -0.60 0.00 0.00 54.58 52.40 1ocr n ASN 66 Cb 0.62 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.71 1ocr n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1ocr s HIS 67 N -0.06 2.74 0.94 1.20 3.76 -1.26 -4.86 115.29 117.74 1ocr s HIS 67 Ca 0.00 -1.24 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 1ocr s HIS 67 Cb 0.00 -1.86 0.16 0.00 1.11 0.00 0.00 32.58 31.98 1ocr s HIS 67 CO 0.00 -0.57 1.11 0.95 -0.85 0.00 0.00 174.74 175.38 1ocr s THR 68 N 0.88 2.31 0.15 1.30 -4.23 -1.26 -4.93 115.64 109.86 1ocr s THR 68 Ca -0.05 0.10 -0.19 0.00 -1.18 0.00 0.00 61.69 60.37 1ocr s THR 68 Cb -0.15 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1ocr s THR 68 CO -0.02 -0.13 1.66 0.15 -0.54 0.00 0.00 174.62 175.74 1ocr h PHE 69 N -1.87 -0.31 -1.80 3.99 3.57 -1.99 -2.64 116.94 115.89 1ocr h PHE 69 Ca -0.47 0.03 -0.70 0.00 3.53 0.00 0.00 57.97 60.36 1ocr h PHE 69 Cb 1.28 0.18 -0.32 0.00 2.79 0.00 0.00 35.95 39.87 1ocr h PHE 69 CO 0.46 -0.20 0.41 1.19 -2.23 0.00 0.00 178.31 177.95 1ocr n PHE 70 N -5.31 3.14 -1.69 0.41 3.01 -1.26 -5.03 117.46 110.74 1ocr n PHE 70 Ca 0.00 -2.61 -0.44 0.00 1.01 0.00 0.00 57.45 55.41 1ocr n PHE 70 Cb 0.22 -0.80 -0.03 0.00 -0.01 0.00 0.00 39.48 38.86 1ocr n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1ocr n HIS 71 N -0.53 2.53 -4.02 1.38 -0.00 -1.00 -4.97 115.22 108.61 1ocr n HIS 71 Ca 0.49 -0.07 -0.32 0.00 0.46 0.00 0.00 57.72 58.28 1ocr n HIS 71 Cb 0.40 -2.69 -0.15 0.00 -0.12 0.00 0.00 29.99 27.43 1ocr n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ocr s ASN 72 N 2.65 4.66 0.42 0.26 3.84 -1.26 -5.00 114.94 120.51 1ocr s ASN 72 Ca 0.83 -1.76 0.20 0.00 0.21 0.00 0.00 52.86 52.34 1ocr s ASN 72 Cb -0.54 -1.61 1.14 0.00 -0.55 0.00 0.00 41.25 39.69 1ocr s ASN 72 CO 0.39 -0.30 1.82 -0.65 -2.79 0.00 0.00 177.10 175.57 1ocr h PRO 73 N 7.73 0.35 -0.18 0.43 0.11 -1.94 0.70 132.00 139.20 1ocr h PRO 73 Ca -0.12 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 1ocr h PRO 73 Cb 1.03 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1ocr h PRO 73 CO 0.50 0.23 -0.34 -0.09 -0.21 0.00 0.00 178.00 178.10 1ocr h ARG 74 N 0.36 0.37 0.00 1.05 2.43 -1.99 -3.36 114.38 113.25 1ocr h ARG 74 Ca 0.53 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1ocr h ARG 74 Cb 1.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1ocr h ARG 74 CO -0.21 0.67 0.00 1.33 -1.51 0.00 0.00 179.97 180.25 1ocr n VAL 75 N -4.08 0.00 -3.91 0.20 0.24 -0.16 -4.74 118.33 105.88 1ocr n VAL 75 Ca -0.01 -0.49 -0.34 0.00 -2.04 0.00 0.00 64.34 61.45 1ocr n VAL 75 Cb 0.44 1.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.68 1ocr n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ocr s ASN 76 N -0.86 4.89 0.46 -1.34 0.02 0.23 -4.87 114.94 113.47 1ocr s ASN 76 Ca 0.00 -1.49 -0.20 0.00 -1.02 0.00 0.00 52.86 50.15 1ocr s ASN 76 Cb 0.00 -1.71 -0.10 0.00 0.02 0.00 0.00 41.25 39.47 1ocr s ASN 76 CO 0.00 -0.31 0.98 -2.16 0.02 0.00 0.00 177.10 175.64 1ocr s PRO 77 N 1.19 4.04 0.95 -0.60 0.04 -1.26 -4.53 135.00 134.83 1ocr s PRO 77 Ca -0.02 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 1ocr s PRO 77 Cb -0.20 -2.14 0.20 0.00 0.04 0.00 0.00 34.50 32.39 1ocr s PRO 77 CO -0.03 -0.20 1.31 -0.51 0.04 0.00 0.00 177.00 177.61 1ocr s LEU 78 N -3.41 2.74 0.62 -3.56 1.02 -0.83 -4.86 118.68 110.40 1ocr s LEU 78 Ca 0.63 0.21 0.38 0.00 0.02 0.00 0.00 54.13 55.38 1ocr s LEU 78 Cb -0.12 -2.26 2.05 0.00 0.02 0.00 0.00 46.19 45.88 1ocr s LEU 78 CO 0.18 -2.70 2.27 -0.65 0.02 0.00 0.00 176.35 175.46 1ocr h PRO 79 N -1.59 0.00 -0.01 1.29 0.11 -1.89 -1.20 132.00 128.71 1ocr h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ocr h PRO 79 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ocr h PRO 79 CO 0.37 0.02 -0.21 0.25 -0.21 0.00 0.00 178.00 178.22 1ocr n THR 80 N -3.34 0.00 0.00 -1.15 -2.24 -1.26 -4.91 114.28 101.38 1ocr n THR 80 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1ocr n THR 80 Cb 0.12 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1ocr n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocr n GLY 81 N 1.31 2.07 3.57 3.38 0.00 -0.45 -5.06 105.19 110.00 1ocr n GLY 81 Ca 0.13 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 1ocr n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ocr n TYR 82 N -0.88 0.31 0.13 1.61 4.01 -1.26 -1.97 117.16 119.11 1ocr n TYR 82 Ca 0.00 0.41 -0.06 0.00 -0.16 0.00 0.00 57.90 58.10 1ocr n TYR 82 Cb 0.00 -2.06 -0.03 0.00 -0.31 0.00 0.00 39.34 36.94 1ocr n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ocr h GLU 83 N 0.15 -0.35 0.00 -0.72 5.08 -1.85 -3.45 114.58 113.44 1ocr h GLU 83 Ca -0.47 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1ocr h GLU 83 Cb 1.36 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.69 1ocr h GLU 83 CO 0.48 -0.23 0.00 1.17 -1.00 0.00 0.00 179.01 179.43