#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ror s SER 2 N 0.00 7.17 -0.01 1.61 1.04 -1.26 -4.98 113.70 117.28 2ror s SER 2 Ca 0.00 1.40 -0.22 0.00 0.48 0.00 0.00 55.95 57.61 2ror s SER 2 Cb 0.00 -2.46 -0.21 0.00 0.10 0.00 0.00 66.02 63.45 2ror s SER 2 CO 0.00 -0.01 1.13 0.28 0.98 0.00 0.00 173.24 175.62 2ror h SER 3 N 5.86 0.36 -5.02 7.02 0.02 -2.08 -3.49 113.55 116.22 2ror h SER 3 Ca -0.43 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 2ror h SER 3 Cb 1.20 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.58 2ror h SER 3 CO 0.72 1.00 -1.21 0.61 -1.14 0.00 0.00 176.83 176.81 2ror n GLY 4 N 0.84 -4.69 3.74 -3.77 0.00 -1.26 -4.98 105.19 95.07 2ror n GLY 4 Ca -0.09 0.98 -0.36 0.00 0.00 0.00 0.00 46.02 46.55 2ror n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ror s SER 5 N -1.22 6.43 -0.00 1.61 1.04 -1.26 -5.00 113.70 115.29 2ror s SER 5 Ca -0.11 0.50 -0.24 0.00 0.48 0.00 0.00 55.95 56.57 2ror s SER 5 Cb 0.01 -2.17 -0.17 0.00 0.10 0.00 0.00 66.02 63.79 2ror s SER 5 CO 0.77 0.13 1.19 0.28 0.98 0.00 0.00 173.24 176.59 2ror h SER 6 N 6.52 -0.27 0.00 7.02 0.02 -2.03 -3.47 113.55 121.33 2ror h SER 6 Ca -0.42 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2ror h SER 6 Cb 1.17 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2ror h SER 6 CO 0.74 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2ror n GLY 7 N -0.11 1.04 3.72 -3.77 0.00 -1.26 -5.06 105.19 99.75 2ror n GLY 7 Ca -0.09 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2ror n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ror n LYS 8 N 0.00 2.64 -2.60 1.61 4.81 -1.26 -5.00 118.16 118.36 2ror n LYS 8 Ca 0.00 0.95 -0.22 0.00 -0.87 0.00 0.00 58.31 58.16 2ror n LYS 8 Cb 0.00 -2.75 0.07 0.00 0.02 0.00 0.00 35.03 32.37 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ror s ALA 9 N 0.65 3.79 0.07 3.14 0.00 -1.26 -4.91 121.76 123.24 2ror s ALA 9 Ca 0.71 -1.51 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 2ror s ALA 9 Cb -0.53 -2.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 2ror s ALA 9 CO 0.40 -1.10 0.59 -2.00 0.00 0.00 0.00 175.76 173.65 2ror s GLU 10 N -4.96 4.25 -0.29 0.00 -6.30 -1.26 -5.06 118.70 105.09 2ror s GLU 10 Ca 0.62 0.78 -0.04 0.00 -2.50 0.00 0.00 54.97 53.82 2ror s GLU 10 Cb -0.08 -3.26 0.02 0.00 0.00 0.00 0.00 34.13 30.82 2ror s GLU 10 CO 0.41 0.59 0.03 0.00 0.02 0.00 0.00 175.26 176.31 2ror s ALA 11 N -0.96 2.91 0.03 6.30 0.00 -1.26 -5.08 121.76 123.69 2ror s ALA 11 Ca 0.30 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.64 2ror s ALA 11 Cb -0.20 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2ror s ALA 11 CO 0.19 -0.99 0.16 -1.21 0.00 0.00 0.00 175.76 173.91 2ror s GLU 12 N 1.40 0.61 -0.27 0.00 0.41 -1.26 -5.15 118.70 114.43 2ror s GLU 12 Ca 0.00 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 53.95 2ror s GLU 12 Cb -0.18 0.25 0.15 0.00 -1.78 0.00 0.00 34.13 32.57 2ror s GLU 12 CO -0.00 -0.16 0.52 -0.65 -0.49 0.00 0.00 175.26 174.47 2ror s GLN 13 N -2.17 0.47 0.95 1.61 -0.21 -1.26 -5.15 119.66 113.89 2ror s GLN 13 Ca -0.08 0.97 -0.14 0.00 0.02 0.00 0.00 55.36 56.12 2ror s GLN 13 Cb -0.03 0.30 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 2ror s GLN 13 CO -0.02 -0.48 0.06 0.27 -2.12 0.00 0.00 175.29 173.00 2ror n ASN 14 N 5.41 -3.18 0.00 5.90 6.94 -1.26 -4.96 115.26 124.10 2ror n ASN 14 Ca -0.05 0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.82 2ror n ASN 14 Cb 0.50 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 2ror n ASN 14 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 2ror n TRP 15 N -3.19 0.00 -0.43 -2.53 7.02 -1.26 -4.79 117.44 112.27 2ror n TRP 15 Ca 0.04 0.00 0.34 0.00 -1.02 0.00 0.00 57.50 56.87 2ror n TRP 15 Cb 0.54 0.17 0.55 0.00 -2.42 0.00 0.00 31.31 30.16 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 2ror n TRP 16 N -2.45 0.32 -1.66 -5.99 2.14 -1.26 -2.62 117.44 105.93 2ror n TRP 16 Ca 0.00 0.32 -0.42 0.00 2.07 0.00 0.00 57.50 59.48 2ror n TRP 16 Cb 0.23 -0.72 -0.02 0.00 -0.81 0.00 0.00 31.31 29.99 2ror n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 2ror n GLU 17 N -3.90 2.34 -1.11 -2.67 -0.58 -1.26 -4.89 120.64 108.56 2ror n GLU 17 Ca 0.32 -2.41 -0.28 0.00 -0.42 0.00 0.00 57.16 54.36 2ror n GLU 17 Cb 1.32 -3.22 -0.12 0.00 -0.57 0.00 0.00 31.44 28.84 2ror n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ror n GLY 18 N 4.53 -0.37 3.77 0.62 0.00 -1.08 -4.83 105.19 107.83 2ror n GLY 18 Ca 0.50 0.73 -0.33 0.00 0.00 0.00 0.00 46.02 46.93 2ror n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 19 N 6.47 2.80 0.00 1.61 0.04 -1.26 -5.06 135.00 139.61 2ror s PRO 19 Ca 1.01 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2ror s PRO 19 Cb -0.89 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2ror s PRO 19 CO 0.37 -1.25 0.00 -0.35 0.04 0.00 0.00 177.00 175.82 2ror n PRO 20 N -2.41 0.14 -1.09 0.56 -0.04 -1.26 -4.86 135.00 126.03 2ror n PRO 20 Ca 0.10 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.16 2ror n PRO 20 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 2ror n PRO 20 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ror n GLN 21 N -0.64 0.00 -4.21 0.54 7.27 -1.26 -4.95 117.38 114.12 2ror n GLN 21 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 2ror n GLN 21 Cb 0.00 -0.95 -0.12 0.00 2.41 0.00 0.00 30.24 31.59 2ror n GLN 21 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2ror s ASP 22 N -0.35 1.90 0.59 1.69 -1.08 -1.26 -5.01 116.67 113.14 2ror s ASP 22 Ca 0.59 -0.71 0.29 0.00 -0.52 0.00 0.00 52.55 52.20 2ror s ASP 22 Cb -0.83 -0.07 1.50 0.00 -1.46 0.00 0.00 42.92 42.07 2ror s ASP 22 CO 0.42 -0.09 1.93 -0.07 0.52 0.00 0.00 175.17 177.88 2ror h LEU 23 N 3.94 0.00 -0.94 -1.34 3.38 -1.96 -2.19 115.31 116.19 2ror h LEU 23 Ca -0.41 0.00 0.38 0.00 0.09 0.00 0.00 57.88 57.95 2ror h LEU 23 Cb 1.19 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 2ror h LEU 23 CO 0.45 0.00 0.47 -1.54 0.09 0.00 0.00 178.44 177.90 2ror n SER 24 N -3.73 0.29 -0.29 -0.43 3.41 -1.26 0.87 113.62 112.49 2ror n SER 24 Ca 0.07 1.57 0.10 0.00 -0.26 0.00 0.00 58.87 60.36 2ror n SER 24 Cb 0.61 -0.75 0.25 0.00 -0.26 0.00 0.00 64.21 64.06 2ror n SER 24 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2ror h VAL 25 N 0.00 0.33 -4.13 -3.33 -1.51 -1.77 -3.41 116.25 102.42 2ror h VAL 25 Ca 0.78 -0.06 -0.54 0.00 -1.23 0.00 0.00 66.70 65.65 2ror h VAL 25 Cb 2.04 0.13 0.15 0.00 -2.13 0.00 0.00 31.29 31.48 2ror h VAL 25 CO -0.74 0.03 0.46 -1.00 -1.23 0.00 0.00 177.57 175.10 2ror s HIS 26 N -5.99 2.13 -1.46 5.19 4.02 0.25 -4.86 115.29 114.58 2ror s HIS 26 Ca -0.12 1.53 0.10 0.00 1.02 0.00 0.00 55.06 57.59 2ror s HIS 26 Cb 0.25 -3.57 0.53 0.00 -1.02 0.00 0.00 32.58 28.76 2ror s HIS 26 CO 0.77 -2.66 1.21 1.28 1.02 0.00 0.00 174.74 176.36 2ror n LEU 27 N -2.11 0.00 -3.85 0.89 4.77 -1.26 -4.50 117.00 110.94 2ror n LEU 27 Ca 0.15 0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 56.20 2ror n LEU 27 Cb 0.49 -0.27 -0.17 0.00 -2.33 0.00 0.00 43.42 41.14 2ror n LEU 27 CO 0.47 -0.18 -0.39 -1.66 -1.33 0.00 0.00 177.39 174.29 2ror s TRP 28 N -2.54 0.61 -0.05 -1.77 1.48 -1.26 -2.54 118.94 112.86 2ror s TRP 28 Ca 0.10 -0.14 -0.13 0.00 -1.06 0.00 0.00 56.10 54.87 2ror s TRP 28 Cb 0.07 -0.62 0.02 0.00 -1.16 0.00 0.00 33.47 31.78 2ror s TRP 28 CO 0.16 -0.20 0.30 -0.47 -4.06 0.00 0.00 176.95 172.67 2ror s TYR 29 N 1.17 -0.22 -0.26 1.66 5.04 -1.26 -4.67 117.35 118.80 2ror s TYR 29 Ca -0.07 0.45 -0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2ror s TYR 29 Cb -0.14 0.09 0.15 0.00 0.35 0.00 0.00 41.96 42.41 2ror s TYR 29 CO -0.02 -0.30 0.44 0.00 -1.34 0.00 0.00 175.55 174.33 2ror s ALA 30 N -0.79 -1.40 1.00 3.97 0.00 0.43 -4.65 121.76 120.33 2ror s ALA 30 Ca -0.09 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2ror s ALA 30 Cb -0.04 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.29 2ror s ALA 30 CO 0.03 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2ror n GLY 31 N 5.38 -3.01 0.00 0.00 0.00 -1.26 -3.35 105.19 102.95 2ror n GLY 31 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.92 2ror n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ror n PRO 32 N 0.00 0.49 -0.93 1.61 -0.04 -1.26 -2.86 135.00 132.01 2ror n PRO 32 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2ror n PRO 32 Cb 0.00 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 2ror n PRO 32 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ror n MET 33 N -0.84 0.00 -2.42 0.54 0.00 -1.26 -4.87 117.12 108.27 2ror n MET 33 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 57.70 57.47 2ror n MET 33 Cb 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 33.22 32.56 2ror n MET 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2ror s GLU 34 N -0.67 3.86 0.11 2.12 -1.05 -1.26 -4.84 118.70 116.97 2ror s GLU 34 Ca 0.42 0.82 -0.21 0.00 -0.15 0.00 0.00 54.97 55.85 2ror s GLU 34 Cb -0.58 -2.18 -0.05 0.00 -0.44 0.00 0.00 34.13 30.88 2ror s GLU 34 CO 0.39 -0.27 1.24 -2.13 0.95 0.00 0.00 175.26 175.45 2ror n ARG 35 N -1.70 -0.30 -0.24 -4.83 0.00 -1.26 0.56 116.66 108.89 2ror n ARG 35 Ca 0.06 1.22 0.05 0.00 -0.00 0.00 0.00 57.85 59.17 2ror n ARG 35 Cb 0.54 -1.80 0.16 0.00 0.00 0.00 0.00 32.46 31.36 2ror n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ror h ALA 36 N 0.16 0.87 -0.98 5.13 0.00 -2.00 0.69 119.26 123.13 2ror h ALA 36 Ca 0.11 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.35 2ror h ALA 36 Cb 0.28 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2ror h ALA 36 CO -0.65 -0.36 0.62 0.78 0.00 0.00 0.00 179.25 179.64 2ror h GLY 37 N 0.23 1.60 0.55 0.00 0.00 -0.24 -2.18 103.07 103.04 2ror h GLY 37 Ca 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2ror h GLY 37 CO -0.52 0.06 -0.02 0.00 0.00 0.00 0.00 176.54 176.05 2ror h ALA 38 N 1.59 0.03 -0.96 3.60 0.00 0.00 -3.24 119.26 120.29 2ror h ALA 38 Ca 0.52 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.38 2ror h ALA 38 Cb 0.72 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.32 2ror h ALA 38 CO -0.30 -0.21 -0.24 0.93 0.00 0.00 0.00 179.25 179.44 2ror h GLU 39 N -0.41 0.00 -0.79 0.00 5.08 -0.71 0.78 114.58 118.53 2ror h GLU 39 Ca 0.00 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2ror h GLU 39 Cb 0.50 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2ror h GLU 39 CO 0.00 0.00 0.44 1.03 -1.00 0.00 0.00 179.01 179.49 2ror h SER 40 N 0.00 0.64 0.69 1.42 0.87 -1.54 0.43 113.55 116.06 2ror h SER 40 Ca 0.46 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 2ror h SER 40 Cb 0.71 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2ror h SER 40 CO -0.99 0.38 -0.33 0.40 -0.53 0.00 0.00 176.83 175.75 2ror h ILE 41 N 0.76 0.00 0.00 2.23 2.04 0.51 -2.37 117.51 120.68 2ror h ILE 41 Ca 0.37 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.22 2ror h ILE 41 Cb 0.32 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2ror h ILE 41 CO -0.23 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.10 2ror n LEU 42 N -4.53 0.00 0.17 1.44 4.77 -0.66 -3.11 117.00 115.09 2ror n LEU 42 Ca -0.12 0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 2ror n LEU 42 Cb 0.37 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2ror n LEU 42 CO 0.28 -0.16 0.25 0.00 -1.33 0.00 0.00 177.39 176.42 2ror h ALA 43 N 2.56 -0.50 -0.30 -1.18 0.00 0.41 -3.34 119.26 116.90 2ror h ALA 43 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ror h ALA 43 Cb 0.10 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ror h ALA 43 CO 0.00 -0.48 0.19 -0.91 0.00 0.00 0.00 179.25 178.05 2ror h ASN 44 N -1.10 0.36 -1.83 0.00 2.35 -1.46 -3.44 115.58 110.45 2ror h ASN 44 Ca -0.05 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 2ror h ASN 44 Cb 0.44 -0.09 0.10 0.00 0.05 0.00 0.00 38.32 38.81 2ror h ASN 44 CO 0.08 0.29 -0.08 0.54 -1.65 0.00 0.00 177.43 176.61 2ror n ARG 45 N -4.85 -1.30 -2.00 0.81 5.12 -1.21 -4.95 116.66 108.28 2ror n ARG 45 Ca -0.01 -0.66 -0.31 0.00 -1.93 0.00 0.00 57.85 54.93 2ror n ARG 45 Cb 0.04 -1.33 -0.00 0.00 -1.16 0.00 0.00 32.46 30.01 2ror n ARG 45 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ror s SER 46 N -1.99 6.30 -0.41 0.55 0.15 -1.26 -4.94 113.70 112.10 2ror s SER 46 Ca 0.30 1.47 -0.27 0.00 0.70 0.00 0.00 55.95 58.16 2ror s SER 46 Cb -0.05 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 2ror s SER 46 CO 0.26 -0.82 2.26 -1.81 1.20 0.00 0.00 173.24 174.33 2ror s ASP 47 N -3.86 4.89 0.00 5.45 1.01 -1.26 -2.11 116.67 120.79 2ror s ASP 47 Ca 0.56 1.25 0.00 0.00 0.71 0.00 0.00 52.55 55.08 2ror s ASP 47 Cb -0.11 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.31 2ror s ASP 47 CO 0.48 -2.50 0.00 0.61 0.21 0.00 0.00 175.17 173.97 2ror n GLY 48 N 5.87 -0.39 3.75 0.21 0.00 0.17 -4.98 105.19 109.81 2ror n GLY 48 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 2ror n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ror s THR 49 N -0.50 2.59 0.33 2.61 2.01 -0.90 -2.09 115.64 119.69 2ror s THR 49 Ca 0.00 0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.38 2ror s THR 49 Cb 0.00 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2ror s THR 49 CO 0.00 -0.07 0.39 0.72 -0.69 0.00 0.00 174.62 174.97 2ror s PHE 50 N -1.56 1.27 0.12 4.92 -0.71 0.24 -0.16 117.98 122.11 2ror s PHE 50 Ca 0.77 -1.40 -0.25 0.00 -1.04 0.00 0.00 56.93 55.01 2ror s PHE 50 Cb -0.31 -0.31 0.08 0.00 -1.21 0.00 0.00 43.02 41.28 2ror s PHE 50 CO 0.34 -1.02 1.11 -0.48 -1.34 0.00 0.00 175.22 173.83 2ror s LEU 51 N -3.27 -0.02 -0.20 -1.99 0.05 -0.49 -1.50 118.68 111.26 2ror s LEU 51 Ca 0.34 -0.50 0.01 0.00 0.05 0.00 0.00 54.13 54.04 2ror s LEU 51 Cb 0.01 1.87 0.03 0.00 -2.05 0.00 0.00 46.19 46.05 2ror s LEU 51 CO 0.22 -0.77 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.40 2ror s VAL 52 N -2.29 1.98 0.34 1.48 1.01 -1.26 -2.81 120.40 118.85 2ror s VAL 52 Ca 0.22 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2ror s VAL 52 Cb -0.01 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2ror s VAL 52 CO 0.03 0.34 0.30 -0.13 0.00 0.00 0.00 175.10 175.65 2ror s ARG 53 N 1.28 2.74 0.13 2.72 0.52 0.12 -0.42 118.95 126.04 2ror s ARG 53 Ca 0.01 -1.28 0.06 0.00 -0.52 0.00 0.00 55.73 53.99 2ror s ARG 53 Cb -0.15 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 2ror s ARG 53 CO -0.10 0.09 -0.13 -1.14 0.02 0.00 0.00 175.30 174.03 2ror s GLN 54 N -4.01 1.05 0.26 3.54 0.74 -1.14 0.13 119.66 120.23 2ror s GLN 54 Ca 0.41 -1.30 0.02 0.00 0.05 0.00 0.00 55.36 54.54 2ror s GLN 54 Cb -0.06 -0.85 -0.04 0.00 1.10 0.00 0.00 33.01 33.16 2ror s GLN 54 CO 0.27 0.15 0.43 0.50 -0.55 0.00 0.00 175.29 176.09 2ror s ARG 55 N -2.95 3.48 -0.16 1.67 6.06 -1.26 -4.34 118.95 121.46 2ror s ARG 55 Ca 0.11 -0.48 0.09 0.00 -2.50 0.00 0.00 55.73 52.95 2ror s ARG 55 Cb -0.03 -2.80 -0.23 0.00 0.06 0.00 0.00 34.95 31.94 2ror s ARG 55 CO 0.03 0.34 0.22 1.33 -2.50 0.00 0.00 175.30 174.71 2ror n VAL 56 N -1.25 1.54 -0.20 7.11 0.24 -1.26 -4.35 118.33 120.15 2ror n VAL 56 Ca -0.06 -0.75 -0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2ror n VAL 56 Cb 0.56 -1.03 0.10 0.00 -1.47 0.00 0.00 33.84 32.00 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2ror h LYS 57 N 0.01 0.37 -3.48 7.34 1.57 -2.03 -3.39 116.57 116.97 2ror h LYS 57 Ca -0.46 -0.02 -0.47 0.00 -1.87 0.00 0.00 60.65 57.83 2ror h LYS 57 Cb 2.08 -0.08 -0.39 0.00 0.08 0.00 0.00 32.23 33.91 2ror h LYS 57 CO 0.03 0.24 -0.76 0.34 -0.57 0.00 0.00 179.45 178.73 2ror s ASP 58 N -5.37 2.24 0.56 0.86 2.15 -1.26 -5.00 116.67 110.84 2ror s ASP 58 Ca -0.13 -0.48 0.33 0.00 0.43 0.00 0.00 52.55 52.70 2ror s ASP 58 Cb 0.17 -0.44 1.48 0.00 -0.30 0.00 0.00 42.92 43.83 2ror s ASP 58 CO 0.74 -0.28 1.83 0.00 -0.17 0.00 0.00 175.17 177.29 2ror h ALA 59 N 8.32 2.82 -0.32 3.66 0.00 -1.77 -2.21 119.26 129.77 2ror h ALA 59 Ca -0.17 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.20 2ror h ALA 59 Cb 1.13 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 2ror h ALA 59 CO 0.29 -1.20 1.31 0.00 0.00 0.00 0.00 179.25 179.65 2ror n ALA 60 N -2.63 6.73 -2.22 0.00 0.00 -1.26 -4.87 120.51 116.26 2ror n ALA 60 Ca 0.19 -3.06 -0.09 0.00 0.00 0.00 0.00 53.44 50.48 2ror n ALA 60 Cb 1.04 -2.57 -0.10 0.00 0.00 0.00 0.00 19.45 17.83 2ror n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 61 N -0.15 0.88 0.25 0.00 0.41 -0.83 -4.47 118.70 114.80 2ror s GLU 61 Ca 0.62 -1.34 -0.22 0.00 -0.41 0.00 0.00 54.97 53.63 2ror s GLU 61 Cb 0.28 0.26 0.03 0.00 -1.78 0.00 0.00 34.13 32.92 2ror s GLU 61 CO -0.10 -0.25 0.70 -0.06 -0.49 0.00 0.00 175.26 175.06 2ror s PHE 62 N -4.00 -0.27 0.08 1.61 0.08 -1.26 -4.07 117.98 110.15 2ror s PHE 62 Ca 0.19 -0.13 -0.14 0.00 0.12 0.00 0.00 56.93 56.97 2ror s PHE 62 Cb 0.07 0.67 0.02 0.00 -0.57 0.00 0.00 43.02 43.22 2ror s PHE 62 CO -0.02 -1.14 0.34 0.00 -0.10 0.00 0.00 175.22 174.31 2ror s ALA 63 N -3.86 -0.75 -0.30 5.36 0.00 0.34 -0.19 121.76 122.37 2ror s ALA 63 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2ror s ALA 63 Cb -0.05 0.48 0.09 0.00 0.00 0.00 0.00 23.12 23.64 2ror s ALA 63 CO 0.02 -0.51 0.06 0.42 0.00 0.00 0.00 175.76 175.75 2ror s ILE 64 N -3.18 1.23 -0.17 0.00 1.01 -0.84 0.15 121.20 119.40 2ror s ILE 64 Ca -0.01 -1.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.06 2ror s ILE 64 Cb 0.01 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2ror s ILE 64 CO -0.07 -0.54 0.12 -0.55 0.00 0.00 0.00 174.94 173.90 2ror s SER 65 N 1.46 6.19 0.02 3.58 0.15 -1.12 -2.59 113.70 121.39 2ror s SER 65 Ca 0.07 0.30 0.01 0.00 0.70 0.00 0.00 55.95 57.03 2ror s SER 65 Cb -0.18 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2ror s SER 65 CO -0.18 0.27 -0.05 -0.51 1.20 0.00 0.00 173.24 173.98 2ror s ILE 66 N -0.19 0.32 -0.25 6.45 -1.16 -0.58 -1.40 121.20 124.39 2ror s ILE 66 Ca 0.10 -0.65 -0.17 0.00 -0.51 0.00 0.00 60.65 59.42 2ror s ILE 66 Cb -0.11 -0.36 -0.03 0.00 0.61 0.00 0.00 42.46 42.56 2ror s ILE 66 CO 0.01 -0.22 0.49 -0.75 -2.81 0.00 0.00 174.94 171.65 2ror s LYS 67 N -0.92 4.07 -0.28 3.50 2.47 0.78 -0.55 119.74 128.80 2ror s LYS 67 Ca -0.07 0.28 -0.24 0.00 -1.56 0.00 0.00 55.97 54.38 2ror s LYS 67 Cb -0.06 -3.64 0.12 0.00 -1.46 0.00 0.00 37.83 32.79 2ror s LYS 67 CO -0.00 -0.31 1.00 -0.47 0.16 0.00 0.00 175.35 175.73 2ror s TYR 68 N 2.17 -0.52 -0.42 4.03 5.04 -0.85 -0.66 117.35 126.15 2ror s TYR 68 Ca 0.20 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 56.05 2ror s TYR 68 Cb -0.16 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 2ror s TYR 68 CO 0.09 -0.25 0.35 -1.71 -1.34 0.00 0.00 175.55 172.70 2ror n ASN 69 N 2.43 -2.85 -1.77 4.32 2.85 -1.26 -3.21 115.26 115.77 2ror n ASN 69 Ca -0.13 -0.24 -0.01 0.00 -0.11 0.00 0.00 54.58 54.09 2ror n ASN 69 Cb 0.56 -2.22 -0.00 0.00 1.24 0.00 0.00 39.78 39.36 2ror n ASN 69 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2ror n VAL 70 N -2.15 -0.01 -3.67 3.44 0.24 -1.26 -4.81 118.33 110.11 2ror n VAL 70 Ca -0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 2ror n VAL 70 Cb 0.55 -0.07 -0.08 0.00 -1.47 0.00 0.00 33.84 32.77 2ror n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ror s GLU 71 N -3.55 0.67 -0.19 7.34 2.02 -1.20 -5.14 118.70 118.66 2ror s GLU 71 Ca 0.00 0.89 -0.22 0.00 0.02 0.00 0.00 54.97 55.65 2ror s GLU 71 Cb 0.00 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.49 2ror s GLU 71 CO 0.00 -0.10 0.70 0.08 0.02 0.00 0.00 175.26 175.96 2ror s VAL 72 N 0.61 4.97 0.33 2.63 1.01 -1.26 -2.00 120.40 126.69 2ror s VAL 72 Ca -0.02 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.35 2ror s VAL 72 Cb -0.05 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2ror s VAL 72 CO -0.03 0.08 0.49 -0.54 0.00 0.00 0.00 175.10 175.09 2ror s LYS 73 N 2.01 3.23 -0.17 2.72 -0.14 0.28 -4.95 119.74 122.71 2ror s LYS 73 Ca 0.32 -0.78 -0.14 0.00 -1.36 0.00 0.00 55.97 54.01 2ror s LYS 73 Cb -0.16 -2.77 0.05 0.00 -1.68 0.00 0.00 37.83 33.26 2ror s LYS 73 CO 0.11 0.10 0.45 -1.01 -0.76 0.00 0.00 175.35 174.25 2ror s HIS 74 N -2.21 -0.55 0.11 3.18 3.76 -1.26 -1.52 115.29 116.80 2ror s HIS 74 Ca 0.42 1.27 0.08 0.00 -0.15 0.00 0.00 55.06 56.69 2ror s HIS 74 Cb -0.09 0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.77 2ror s HIS 74 CO 0.32 -0.28 -0.20 0.42 -0.85 0.00 0.00 174.74 174.15 2ror s ILE 75 N 0.57 1.73 0.06 0.60 1.09 -1.07 -4.98 121.20 119.21 2ror s ILE 75 Ca -0.03 -1.61 -0.05 0.00 -1.10 0.00 0.00 60.65 57.86 2ror s ILE 75 Cb -0.04 -1.61 -0.05 0.00 -1.06 0.00 0.00 42.46 39.70 2ror s ILE 75 CO -0.03 -0.10 0.30 -0.75 -0.10 0.00 0.00 174.94 174.25 2ror s LYS 76 N -2.06 3.58 0.22 2.79 2.20 -1.26 -1.99 119.74 123.22 2ror s LYS 76 Ca 0.08 -0.12 0.09 0.00 -0.36 0.00 0.00 55.97 55.66 2ror s LYS 76 Cb -0.09 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2ror s LYS 76 CO 0.05 0.58 -0.04 0.42 -0.36 0.00 0.00 175.35 176.00 2ror s ILE 77 N -1.45 3.40 0.22 5.43 1.01 0.73 -4.70 121.20 125.84 2ror s ILE 77 Ca 0.33 -1.73 0.08 0.00 0.00 0.00 0.00 60.65 59.33 2ror s ILE 77 Cb -0.13 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2ror s ILE 77 CO 0.21 -0.23 -0.15 -0.04 0.00 0.00 0.00 174.94 174.73 2ror s MET 78 N -3.22 1.39 -0.13 2.79 -1.94 -1.20 -4.25 119.30 112.73 2ror s MET 78 Ca 0.28 -1.62 -0.06 0.00 -1.71 0.00 0.00 55.69 52.58 2ror s MET 78 Cb -0.08 -1.23 0.06 0.00 2.01 0.00 0.00 34.83 35.59 2ror s MET 78 CO 0.18 0.21 0.28 0.95 -0.01 0.00 0.00 175.02 176.63 2ror s THR 79 N -2.89 -0.22 0.00 2.05 -4.23 -1.26 -3.36 115.64 105.72 2ror s THR 79 Ca 0.24 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2ror s THR 79 Cb -0.01 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.37 2ror s THR 79 CO 0.08 0.08 0.00 0.00 -0.54 0.00 0.00 174.62 174.24 2ror n ALA 80 N 4.75 0.00 -0.61 3.99 0.00 -1.26 -4.77 120.51 122.61 2ror n ALA 80 Ca -0.17 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.25 2ror n ALA 80 Cb 0.52 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.11 2ror n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ror n GLU 81 N -1.80 2.48 0.00 0.00 1.02 -1.26 -4.88 120.64 116.20 2ror n GLU 81 Ca 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 2ror n GLU 81 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2ror n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 82 N -0.54 1.15 4.03 0.62 0.00 -1.26 -5.15 105.19 104.04 2ror n GLY 82 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2ror n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ror s LEU 83 N 0.00 2.99 -0.08 0.99 2.01 -1.26 -4.79 118.68 118.54 2ror s LEU 83 Ca 0.00 -0.77 -0.03 0.00 0.01 0.00 0.00 54.13 53.34 2ror s LEU 83 Cb 0.00 -1.57 0.05 0.00 0.01 0.00 0.00 46.19 44.68 2ror s LEU 83 CO 0.00 -1.62 0.16 -0.31 1.01 0.00 0.00 176.35 175.59 2ror s TYR 84 N -2.88 -0.18 -0.27 0.29 1.51 -1.21 -4.27 117.35 110.34 2ror s TYR 84 Ca 0.65 0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 57.15 2ror s TYR 84 Cb -0.05 -0.22 0.08 0.00 -0.11 0.00 0.00 41.96 41.66 2ror s TYR 84 CO 0.42 -0.25 0.68 -0.98 -1.11 0.00 0.00 175.55 174.30 2ror s ARG 85 N 2.09 0.70 0.21 -0.62 1.70 -1.21 -2.18 118.95 119.63 2ror s ARG 85 Ca 0.01 1.20 0.17 0.00 -0.47 0.00 0.00 55.73 56.64 2ror s ARG 85 Cb -0.12 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.41 2ror s ARG 85 CO -0.06 -0.15 1.21 -0.84 -1.08 0.00 0.00 175.30 174.38 2ror h ILE 86 N 5.01 0.61 -0.40 4.99 3.07 -1.84 -3.18 117.51 125.77 2ror h ILE 86 Ca -0.30 -1.96 -0.67 0.00 1.55 0.00 0.00 64.86 63.48 2ror h ILE 86 Cb 1.23 2.18 -0.13 0.00 -0.27 0.00 0.00 36.82 39.83 2ror h ILE 86 CO 0.17 0.35 -0.51 0.42 -1.05 0.00 0.00 178.15 177.53 2ror s THR 87 N -3.00 1.21 -0.12 0.16 -4.23 -1.26 -4.94 115.64 103.46 2ror s THR 87 Ca 0.01 -1.97 0.17 0.00 -1.18 0.00 0.00 61.69 58.72 2ror s THR 87 Cb 0.08 -2.18 -0.21 0.00 1.34 0.00 0.00 72.50 71.53 2ror s THR 87 CO 0.77 0.00 0.55 -1.84 -0.54 0.00 0.00 174.62 173.56 2ror n GLU 88 N -1.29 0.65 0.01 3.99 0.28 -1.26 -4.45 120.64 118.56 2ror n GLU 88 Ca -0.18 0.13 -0.08 0.00 -0.16 0.00 0.00 57.16 56.87 2ror n GLU 88 Cb 0.67 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.78 2ror n GLU 88 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2ror h LYS 89 N 0.00 -0.13 -6.71 3.44 6.56 -2.01 -3.45 116.57 114.27 2ror h LYS 89 Ca -0.28 0.01 -0.50 0.00 -1.06 0.00 0.00 60.65 58.83 2ror h LYS 89 Cb 1.79 0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 33.45 2ror h LYS 89 CO 0.04 0.28 0.09 0.21 -2.06 0.00 0.00 179.45 178.02 2ror s LYS 90 N -2.58 4.02 0.10 3.15 2.47 -1.26 -5.09 119.74 120.55 2ror s LYS 90 Ca -0.10 0.68 -0.12 0.00 -1.56 0.00 0.00 55.97 54.87 2ror s LYS 90 Cb -0.00 -2.47 0.02 0.00 -1.46 0.00 0.00 37.83 33.91 2ror s LYS 90 CO 0.36 0.18 0.29 0.00 0.16 0.00 0.00 175.35 176.34 2ror s ALA 91 N -1.94 -0.55 0.15 3.13 0.00 -1.26 -4.37 121.76 116.91 2ror s ALA 91 Ca 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2ror s ALA 91 Cb -0.11 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2ror s ALA 91 CO 0.18 -0.57 0.07 -0.06 0.00 0.00 0.00 175.76 175.37 2ror s PHE 92 N -3.82 0.96 -0.10 0.00 0.40 -0.93 -5.02 117.98 109.47 2ror s PHE 92 Ca 0.04 -1.25 -0.17 0.00 -0.60 0.00 0.00 56.93 54.95 2ror s PHE 92 Cb 0.03 -0.52 -0.27 0.00 0.51 0.00 0.00 43.02 42.77 2ror s PHE 92 CO -0.11 -0.51 0.58 0.00 0.70 0.00 0.00 175.22 175.87 2ror h ARG 93 N 2.80 0.23 -4.06 0.44 2.47 -1.95 -3.20 114.38 111.10 2ror h ARG 93 Ca -0.35 -0.39 -0.14 0.00 -1.26 0.00 0.00 59.98 57.84 2ror h ARG 93 Cb 1.21 0.14 -0.18 0.00 -1.65 0.00 0.00 29.97 29.49 2ror h ARG 93 CO 0.58 1.19 -0.66 0.20 0.56 0.00 0.00 179.97 181.84 2ror s GLY 94 N -4.87 0.32 0.25 0.04 0.00 -1.26 -4.35 107.32 97.46 2ror s GLY 94 Ca -0.20 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 2ror s GLY 94 CO 0.76 -0.93 1.68 -2.00 0.00 0.00 0.00 173.10 172.61 2ror h LEU 95 N 3.87 0.04 -0.02 0.66 5.85 -1.91 -2.31 115.31 121.49 2ror h LEU 95 Ca -0.33 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2ror h LEU 95 Cb 1.18 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2ror h LEU 95 CO 0.53 -0.04 -0.16 0.74 -0.34 0.00 0.00 178.44 179.16 2ror h THR 96 N 0.28 0.00 -0.70 1.05 2.02 -1.99 -1.67 112.91 111.90 2ror h THR 96 Ca 0.44 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.75 2ror h THR 96 Cb 0.78 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.06 2ror h THR 96 CO -0.53 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 174.75 2ror h GLU 97 N -0.18 -0.08 -1.08 6.66 4.39 -1.86 0.66 114.58 123.09 2ror h GLU 97 Ca 0.01 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.01 2ror h GLU 97 Cb 0.21 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.79 2ror h GLU 97 CO -0.12 -0.05 0.72 1.25 -1.16 0.00 0.00 179.01 179.64 2ror h LEU 98 N -0.08 0.34 0.00 1.33 6.46 -0.95 0.47 115.31 122.87 2ror h LEU 98 Ca 0.30 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 58.08 2ror h LEU 98 Cb 0.56 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2ror h LEU 98 CO -0.75 0.05 -0.26 0.58 -0.62 0.00 0.00 178.44 177.44 2ror h VAL 99 N 0.29 1.29 0.00 1.05 2.07 0.11 -2.86 116.25 118.20 2ror h VAL 99 Ca 0.60 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2ror h VAL 99 Cb 1.73 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 2ror h VAL 99 CO -0.25 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.16 2ror n GLU 100 N -4.60 0.10 -0.12 1.57 1.02 0.65 -2.42 120.64 116.84 2ror n GLU 100 Ca -0.12 0.21 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 2ror n GLU 100 Cb 0.44 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 2ror n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ror n PHE 101 N -1.27 0.25 -0.26 -0.32 7.35 0.16 -4.39 117.46 118.98 2ror n PHE 101 Ca 0.03 0.10 0.16 0.00 -0.76 0.00 0.00 57.45 56.97 2ror n PHE 101 Cb 0.05 -1.03 0.44 0.00 0.35 0.00 0.00 39.48 39.30 2ror n PHE 101 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2ror h TYR 102 N -0.80 0.70 0.00 -5.13 0.05 -1.23 0.31 116.97 110.87 2ror h TYR 102 Ca -0.61 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.19 2ror h TYR 102 Cb 1.62 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 39.15 2ror h TYR 102 CO -0.03 0.21 0.21 1.96 -1.05 0.00 0.00 178.16 179.47 2ror h GLN 103 N 0.55 0.00 0.00 4.88 4.20 -1.74 -1.00 115.11 122.00 2ror h GLN 103 Ca 0.47 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.88 2ror h GLN 103 Cb 0.96 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 2ror h GLN 103 CO -0.21 0.00 -2.11 1.04 -0.67 0.00 0.00 178.83 176.88 2ror n GLN 104 N -2.63 1.03 -3.69 1.46 3.00 0.10 -4.88 117.38 111.78 2ror n GLN 104 Ca -0.02 0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 2ror n GLN 104 Cb 0.26 -1.41 -0.12 0.00 0.00 0.00 0.00 30.24 28.97 2ror n GLN 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ror s ASN 105 N -5.38 5.43 0.23 1.08 2.20 -0.38 -5.06 114.94 113.05 2ror s ASN 105 Ca -0.16 -0.84 -0.31 0.00 -0.94 0.00 0.00 52.86 50.61 2ror s ASN 105 Cb 0.06 -1.94 -0.14 0.00 -2.00 0.00 0.00 41.25 37.22 2ror s ASN 105 CO 0.57 -0.28 1.33 -0.24 -2.94 0.00 0.00 177.10 175.54 2ror n SER 106 N 4.92 2.34 0.12 3.54 2.88 -1.26 -4.59 113.62 121.57 2ror n SER 106 Ca -0.13 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.63 2ror n SER 106 Cb 0.47 -1.37 0.42 0.00 -0.75 0.00 0.00 64.21 62.98 2ror n SER 106 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ror n LEU 107 N 2.04 0.40 0.25 2.46 4.77 -1.12 -0.96 117.00 124.85 2ror n LEU 107 Ca 0.12 0.68 0.17 0.00 -0.03 0.00 0.00 56.01 56.95 2ror n LEU 107 Cb 0.30 -0.72 0.74 0.00 -2.33 0.00 0.00 43.42 41.41 2ror n LEU 107 CO 0.62 -0.81 0.99 0.07 -1.33 0.00 0.00 177.39 176.93 2ror h LYS 108 N 0.00 0.00 -0.51 3.23 2.10 -1.42 0.21 116.57 120.17 2ror h LYS 108 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 2ror h LYS 108 Cb 0.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2ror h LYS 108 CO 0.00 0.00 -0.06 0.22 -2.00 0.00 0.00 179.45 177.61 2ror h ASP 109 N 0.00 0.89 0.00 7.07 1.82 -1.34 -3.31 116.42 121.55 2ror h ASP 109 Ca 0.00 -0.26 -0.39 0.00 -0.39 0.00 0.00 57.03 56.00 2ror h ASP 109 Cb 0.37 -0.24 -0.07 0.00 0.68 0.00 0.00 39.33 40.07 2ror h ASP 109 CO 0.00 0.98 -2.46 0.00 -1.61 0.00 0.00 179.24 176.15 2ror s PHE 111 N -2.51 3.06 -0.07 0.00 0.40 0.69 -5.04 117.98 114.51 2ror s PHE 111 Ca -0.30 -0.22 0.10 0.00 -0.60 0.00 0.00 56.93 55.91 2ror s PHE 111 Cb 0.08 -1.78 -0.15 0.00 0.51 0.00 0.00 43.02 41.69 2ror s PHE 111 CO 0.64 0.19 0.11 0.36 0.70 0.00 0.00 175.22 177.23 2ror n LYS 112 N -1.44 1.57 0.05 0.44 0.00 -1.26 -4.15 118.16 113.38 2ror n LYS 112 Ca -0.03 -0.04 -0.22 0.00 -0.00 0.00 0.00 58.31 58.02 2ror n LYS 112 Cb 0.59 -1.27 -0.15 0.00 -0.00 0.00 0.00 35.03 34.20 2ror n LYS 112 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2ror h SER 113 N 0.00 0.52 -2.33 -5.58 0.02 -1.94 -3.42 113.55 100.82 2ror h SER 113 Ca -0.18 -0.91 -0.58 0.00 -0.84 0.00 0.00 61.79 59.29 2ror h SER 113 Cb 1.22 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 2ror h SER 113 CO 0.01 1.60 0.94 -0.76 -1.14 0.00 0.00 176.83 177.48 2ror s LEU 114 N -7.61 3.61 -0.54 5.07 1.43 -1.26 -4.87 118.68 114.52 2ror s LEU 114 Ca -0.16 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2ror s LEU 114 Cb 0.04 -2.51 0.45 0.00 0.03 0.00 0.00 46.19 44.19 2ror s LEU 114 CO 0.83 -1.67 1.98 0.47 0.23 0.00 0.00 176.35 178.19 2ror n ASP 115 N 8.75 6.52 -3.65 2.29 8.00 -1.26 -1.50 116.55 135.70 2ror n ASP 115 Ca 0.05 -3.58 -0.10 0.00 0.71 0.00 0.00 54.79 51.86 2ror n ASP 115 Cb 0.48 -0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 40.59 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ror s THR 116 N -3.94 0.06 0.30 -3.53 -1.32 -1.26 -4.85 115.64 101.10 2ror s THR 116 Ca 0.56 -0.61 0.09 0.00 -1.21 0.00 0.00 61.69 60.52 2ror s THR 116 Cb 0.44 -1.23 -0.06 0.00 -1.51 0.00 0.00 72.50 70.14 2ror s THR 116 CO 0.02 -0.28 -0.11 0.28 -2.21 0.00 0.00 174.62 172.31 2ror s THR 117 N -3.82 2.09 -0.44 5.08 -1.32 -1.26 -2.79 115.64 113.18 2ror s THR 117 Ca 0.04 -2.23 -0.41 0.00 -1.21 0.00 0.00 61.69 57.88 2ror s THR 117 Cb 0.01 -2.47 -0.16 0.00 -1.51 0.00 0.00 72.50 68.37 2ror s THR 117 CO -0.11 -0.30 2.14 0.18 -2.21 0.00 0.00 174.62 174.32 2ror n LEU 118 N -0.67 1.26 -0.08 9.08 4.77 -1.26 -4.81 117.00 125.31 2ror n LEU 118 Ca -0.05 0.60 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 2ror n LEU 118 Cb 0.62 -1.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.56 2ror n LEU 118 CO 0.41 -0.75 -0.93 0.00 -1.33 0.00 0.00 177.39 174.79 2ror n GLN 119 N 7.67 0.65 -3.77 3.23 6.02 -0.89 -4.54 117.38 125.74 2ror n GLN 119 Ca 0.49 0.34 -0.13 0.00 -0.01 0.00 0.00 57.00 57.70 2ror n GLN 119 Cb 0.06 -1.65 -0.12 0.00 1.02 0.00 0.00 30.24 29.55 2ror n GLN 119 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2ror s PHE 120 N -2.48 -0.30 0.00 1.08 0.08 -1.11 -4.84 117.98 110.41 2ror s PHE 120 Ca -0.29 0.73 0.00 0.00 0.12 0.00 0.00 56.93 57.49 2ror s PHE 120 Cb 0.08 0.10 0.00 0.00 -0.57 0.00 0.00 43.02 42.63 2ror s PHE 120 CO 0.64 -0.15 0.00 -0.35 -0.10 0.00 0.00 175.22 175.26 2ror n PRO 121 N 3.07 -0.99 0.05 0.24 -0.04 -1.26 0.82 135.00 136.89 2ror n PRO 121 Ca -0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.25 2ror n PRO 121 Cb 0.58 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.14 2ror n PRO 121 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ror h PHE 122 N -1.50 0.46 0.00 0.54 3.04 -1.40 -3.37 116.94 114.72 2ror h PHE 122 Ca 0.00 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.78 2ror h PHE 122 Cb 0.00 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.42 2ror h PHE 122 CO 0.00 0.84 -0.31 1.63 -2.02 0.00 0.00 178.31 178.46 2ror n LYS 123 N -3.92 0.23 -3.61 1.11 5.02 -1.05 -5.04 118.16 110.89 2ror n LYS 123 Ca -0.03 0.30 -0.05 0.00 -2.02 0.00 0.00 58.31 56.52 2ror n LYS 123 Cb 0.60 -1.13 -0.04 0.00 -0.02 0.00 0.00 35.03 34.44 2ror n LYS 123 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2ror s GLU 124 N -1.68 0.27 0.68 1.97 -1.05 -1.26 -5.13 118.70 112.50 2ror s GLU 124 Ca -0.09 0.00 -0.11 0.00 -0.15 0.00 0.00 54.97 54.62 2ror s GLU 124 Cb 0.01 0.13 0.17 0.00 -0.44 0.00 0.00 34.13 34.00 2ror s GLU 124 CO 0.13 -0.10 0.60 -0.35 0.95 0.00 0.00 175.26 176.50 2ror n PRO 125 N 0.37 -2.19 -3.52 -4.83 -0.04 -1.26 -4.45 135.00 119.08 2ror n PRO 125 Ca -0.02 -0.96 -0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2ror n PRO 125 Cb 0.58 -0.90 -0.05 0.00 -0.04 0.00 0.00 33.50 33.09 2ror n PRO 125 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ror s GLU 126 N -4.36 0.36 -0.02 0.54 2.12 -1.26 -5.01 118.70 111.06 2ror s GLU 126 Ca 0.39 0.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.19 2ror s GLU 126 Cb -0.04 0.33 -0.03 0.00 0.26 0.00 0.00 34.13 34.65 2ror s GLU 126 CO 0.30 -0.10 1.07 0.15 -0.54 0.00 0.00 175.26 176.14 2ror s LYS 127 N 2.05 4.46 -0.29 4.30 3.01 -1.26 -5.01 119.74 127.00 2ror s LYS 127 Ca -0.05 1.53 -0.25 0.00 -1.01 0.00 0.00 55.97 56.18 2ror s LYS 127 Cb -0.06 -3.47 0.16 0.00 -1.01 0.00 0.00 37.83 33.45 2ror s LYS 127 CO -0.17 -0.23 1.27 0.50 0.51 0.00 0.00 175.35 177.24 2ror s ARG 128 N 1.49 0.24 0.08 1.68 3.52 -1.26 -5.18 118.95 119.52 2ror s ARG 128 Ca 0.53 0.27 0.03 0.00 -0.13 0.00 0.00 55.73 56.43 2ror s ARG 128 Cb -0.23 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 2ror s ARG 128 CO 0.25 -0.03 -0.08 0.95 -0.81 0.00 0.00 175.30 175.57 2ror s THR 129 N 0.05 0.75 -0.24 4.11 -4.23 -1.26 -5.16 115.64 109.66 2ror s THR 129 Ca 0.06 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 2ror s THR 129 Cb -0.05 -1.31 0.16 0.00 1.34 0.00 0.00 72.50 72.65 2ror s THR 129 CO -0.11 -0.64 1.21 -0.51 -0.54 0.00 0.00 174.62 174.02 2ror s ILE 130 N -2.66 0.00 -0.14 2.99 1.10 -1.26 -5.15 121.20 116.08 2ror s ILE 130 Ca 0.04 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.14 2ror s ILE 130 Cb -0.01 -1.00 0.06 0.00 0.15 0.00 0.00 42.46 41.65 2ror s ILE 130 CO -0.02 0.00 0.11 -0.94 -2.11 0.00 0.00 174.94 171.98 2ror s SER 131 N -0.83 1.80 0.41 4.50 1.04 -1.26 -5.15 113.70 114.21 2ror s SER 131 Ca 0.04 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.23 2ror s SER 131 Cb -0.02 -0.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 2ror s SER 131 CO -0.05 -0.32 0.17 -0.13 0.98 0.00 0.00 173.24 173.90 2ror s ARG 132 N 2.19 2.22 0.10 4.02 3.00 -1.26 -5.15 118.95 124.07 2ror s ARG 132 Ca 0.03 -1.83 0.07 0.00 0.00 0.00 0.00 55.73 54.00 2ror s ARG 132 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 34.95 32.78 2ror s ARG 132 CO -0.08 -0.10 -0.17 -1.54 0.00 0.00 0.00 175.30 173.41 2ror s SER 133 N -3.90 2.16 -0.36 0.23 1.04 -1.26 -5.11 113.70 106.50 2ror s SER 133 Ca 0.41 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 2ror s SER 133 Cb 0.04 -0.10 0.18 0.00 0.10 0.00 0.00 66.02 66.24 2ror s SER 133 CO 0.22 -0.03 0.89 -0.83 0.98 0.00 0.00 173.24 174.47 2ror s GLY 134 N -2.01 -1.44 0.00 7.32 0.00 -1.26 -5.00 107.32 104.93 2ror s GLY 134 Ca 0.05 0.88 0.15 0.00 0.00 0.00 0.00 44.72 45.80 2ror s GLY 134 CO 0.04 4.06 1.37 -1.55 0.00 0.00 0.00 173.10 177.02 2ror n PRO 135 N 3.98 0.33 0.11 2.90 -0.04 -1.26 -3.48 135.00 137.55 2ror n PRO 135 Ca 0.08 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2ror n PRO 135 Cb 0.61 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2ror n PRO 135 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ror h SER 136 N 0.00 -0.42 -0.58 3.54 4.64 -2.07 -3.42 113.55 115.25 2ror h SER 136 Ca 0.00 0.04 -0.63 0.00 -0.47 0.00 0.00 61.79 60.73 2ror h SER 136 Cb 0.07 0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2ror h SER 136 CO 0.00 -0.23 0.61 -0.24 -0.87 0.00 0.00 176.83 176.10 2ror n SER 137 N -5.28 0.82 0.00 4.97 2.88 -1.23 -5.35 113.62 110.43 2ror n SER 137 Ca -0.07 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2ror n SER 137 Cb 0.20 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2ror n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42