#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 3.31 -0.12 1.61 0.15 -1.26 -5.00 113.70 112.40 2ror s SER 2 Ca 0.00 1.95 -0.04 0.00 0.70 0.00 0.00 55.95 58.56 2ror s SER 2 Cb 0.00 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 2ror s SER 2 CO 0.00 -2.82 -0.13 -1.54 1.20 0.00 0.00 173.24 169.95 2ror n SER 3 N -4.03 1.63 -0.32 5.45 3.41 -1.26 -5.12 113.62 113.37 2ror n SER 3 Ca 0.10 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2ror n SER 3 Cb 0.53 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2ror n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ror n GLY 4 N 2.50 2.79 3.26 5.00 0.00 -1.26 -5.19 105.19 112.30 2ror n GLY 4 Ca -0.22 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 2ror n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ror s SER 5 N 1.01 1.24 0.21 1.61 0.15 -1.26 -5.11 113.70 111.54 2ror s SER 5 Ca 0.00 -1.21 -0.28 0.00 0.70 0.00 0.00 55.95 55.16 2ror s SER 5 Cb 0.00 0.12 -0.16 0.00 -1.71 0.00 0.00 66.02 64.27 2ror s SER 5 CO 0.00 -0.59 0.65 -1.54 1.20 0.00 0.00 173.24 172.96 2ror n SER 6 N -0.29 -0.64 -4.82 5.45 3.41 -1.26 -4.96 113.62 110.52 2ror n SER 6 Ca -0.05 1.14 -0.22 0.00 -0.26 0.00 0.00 58.87 59.48 2ror n SER 6 Cb 0.64 -1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 2ror n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ror s GLY 7 N -0.86 1.44 0.25 5.00 0.00 -1.26 -5.13 107.32 106.75 2ror s GLY 7 Ca 0.64 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 44.02 2ror s GLY 7 CO 0.57 -1.47 -0.08 0.54 0.00 0.00 0.00 173.10 172.66 2ror s LYS 8 N -3.85 2.07 -0.25 2.90 1.02 -1.26 -5.12 119.74 115.25 2ror s LYS 8 Ca 0.33 -1.47 0.01 0.00 0.02 0.00 0.00 55.97 54.86 2ror s LYS 8 Cb -0.08 -2.06 0.07 0.00 -0.52 0.00 0.00 37.83 35.24 2ror s LYS 8 CO 0.25 0.37 -0.03 0.00 -0.92 0.00 0.00 175.35 175.02 2ror s ALA 9 N -2.21 2.04 -0.09 5.17 0.00 -1.26 -5.11 121.76 120.30 2ror s ALA 9 Ca 0.29 -1.53 -0.22 0.00 0.00 0.00 0.00 51.96 50.50 2ror s ALA 9 Cb -0.07 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2ror s ALA 9 CO 0.17 -1.30 0.65 -1.21 0.00 0.00 0.00 175.76 174.08 2ror s GLU 10 N 1.35 4.40 0.19 0.00 2.02 -1.26 -5.06 118.70 120.35 2ror s GLU 10 Ca -0.02 0.78 0.02 0.00 0.02 0.00 0.00 54.97 55.77 2ror s GLU 10 Cb -0.19 -3.45 -0.05 0.00 0.10 0.00 0.00 34.13 30.54 2ror s GLU 10 CO -0.08 0.06 0.01 0.00 0.02 0.00 0.00 175.26 175.26 2ror s ALA 11 N 0.85 1.49 0.32 5.21 0.00 -1.26 -5.17 121.76 123.20 2ror s ALA 11 Ca 0.35 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.68 2ror s ALA 11 Cb -0.17 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.46 2ror s ALA 11 CO 0.16 -0.31 0.10 -1.21 0.00 0.00 0.00 175.76 174.50 2ror s GLU 12 N -3.91 1.65 0.05 0.00 2.02 -1.26 -5.17 118.70 112.07 2ror s GLU 12 Ca 0.26 -1.94 -0.00 0.00 0.02 0.00 0.00 54.97 53.31 2ror s GLU 12 Cb 0.06 -0.54 -0.03 0.00 0.10 0.00 0.00 34.13 33.72 2ror s GLU 12 CO 0.06 -0.32 -0.04 -0.65 0.02 0.00 0.00 175.26 174.33 2ror s GLN 13 N -3.88 0.54 -0.82 1.61 -1.52 -1.26 -5.10 119.66 109.23 2ror s GLN 13 Ca 0.34 -1.03 -0.24 0.00 -1.95 0.00 0.00 55.36 52.48 2ror s GLN 13 Cb 0.07 0.12 0.06 0.00 -0.22 0.00 0.00 33.01 33.03 2ror s GLN 13 CO 0.15 -0.08 1.23 -0.80 -0.25 0.00 0.00 175.29 175.55 2ror s ASN 14 N -2.44 6.32 -0.23 5.90 -0.87 -1.26 -4.79 114.94 117.57 2ror s ASN 14 Ca -0.00 -1.06 0.14 0.00 -1.57 0.00 0.00 52.86 50.37 2ror s ASN 14 Cb 0.02 -2.51 0.46 0.00 -0.02 0.00 0.00 41.25 39.20 2ror s ASN 14 CO -0.06 -1.55 1.18 0.79 -2.57 0.00 0.00 177.10 174.88 2ror n TRP 15 N 8.48 1.39 -3.73 2.20 7.02 -1.26 -5.03 117.44 126.51 2ror n TRP 15 Ca 0.12 -1.80 -0.37 0.00 -1.02 0.00 0.00 57.50 54.43 2ror n TRP 15 Cb 0.49 -0.27 -0.12 0.00 -2.42 0.00 0.00 31.31 28.99 2ror n TRP 15 CO 0.00 0.00 0.00 1.67 -2.02 0.00 0.00 177.69 177.34 2ror s TRP 16 N -3.08 3.11 -0.28 -5.99 -2.14 -1.26 -5.05 118.94 104.25 2ror s TRP 16 Ca 0.40 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.77 2ror s TRP 16 Cb 0.38 -2.26 0.17 0.00 -3.10 0.00 0.00 33.47 28.65 2ror s TRP 16 CO -0.03 -0.35 0.50 -1.21 -2.66 0.00 0.00 176.95 173.19 2ror s GLU 17 N 1.63 0.47 -0.83 3.25 0.41 -1.26 -5.07 118.70 117.29 2ror s GLU 17 Ca 0.06 0.61 0.01 0.00 -0.41 0.00 0.00 54.97 55.25 2ror s GLU 17 Cb -0.15 0.03 0.30 0.00 -1.78 0.00 0.00 34.13 32.53 2ror s GLU 17 CO 0.05 -0.79 1.21 0.41 -0.49 0.00 0.00 175.26 175.65 2ror n GLY 18 N 5.39 5.33 3.68 -1.39 0.00 -1.26 -4.68 105.19 112.27 2ror n GLY 18 Ca -0.00 -2.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.02 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 -3.12 0.44 0.00 1.61 0.04 -1.26 -4.91 135.00 127.80 2ror s PRO 19 Ca 0.39 0.53 0.15 0.00 0.04 0.00 0.00 61.00 62.11 2ror s PRO 19 Cb 0.15 -1.74 0.82 0.00 0.04 0.00 0.00 34.50 33.77 2ror s PRO 19 CO -0.02 -2.73 1.38 -0.35 0.04 0.00 0.00 177.00 175.32 2ror n PRO 20 N -4.18 0.32 -0.15 0.56 -0.04 -1.26 -4.76 135.00 125.49 2ror n PRO 20 Ca 0.05 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 2ror n PRO 20 Cb 0.57 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.69 2ror n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ror n GLN 21 N -1.17 -3.44 -1.02 0.54 3.00 -1.26 -4.83 117.38 109.21 2ror n GLN 21 Ca 0.09 -0.79 -0.34 0.00 -0.01 0.00 0.00 57.00 55.95 2ror n GLN 21 Cb 0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 30.24 29.32 2ror n GLN 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2ror n ASP 22 N -4.47 -1.39 0.16 1.08 5.68 -1.26 -4.71 116.55 111.65 2ror n ASP 22 Ca 0.07 0.75 0.19 0.00 -0.50 0.00 0.00 54.79 55.31 2ror n ASP 22 Cb 0.32 -0.69 0.77 0.00 -1.14 0.00 0.00 41.12 40.38 2ror n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2ror h LEU 23 N 0.56 0.00 -1.46 -2.12 3.38 -1.92 0.03 115.31 113.77 2ror h LEU 23 Ca -0.23 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.86 2ror h LEU 23 Cb 1.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2ror h LEU 23 CO 0.40 0.00 0.51 0.77 0.09 0.00 0.00 178.44 180.21 2ror h SER 24 N 0.00 0.52 -0.08 -0.43 4.64 -1.88 0.85 113.55 117.17 2ror h SER 24 Ca 0.13 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.50 2ror h SER 24 Cb 0.91 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2ror h SER 24 CO -0.00 0.29 0.06 -0.37 -0.87 0.00 0.00 176.83 175.93 2ror h VAL 25 N 0.56 0.95 -3.93 0.95 -1.51 -1.26 -3.42 116.25 108.59 2ror h VAL 25 Ca 0.37 0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 65.35 2ror h VAL 25 Cb 0.66 0.96 0.02 0.00 -2.13 0.00 0.00 31.29 30.80 2ror h VAL 25 CO -0.14 0.00 0.43 -1.00 -1.23 0.00 0.00 177.57 175.64 2ror s HIS 26 N -5.05 3.32 -0.80 5.19 4.02 0.29 -4.53 115.29 117.73 2ror s HIS 26 Ca -0.05 1.65 0.04 0.00 1.02 0.00 0.00 55.06 57.72 2ror s HIS 26 Cb 0.17 -3.19 0.21 0.00 -1.02 0.00 0.00 32.58 28.76 2ror s HIS 26 CO 0.68 -0.68 1.09 1.28 1.02 0.00 0.00 174.74 178.13 2ror n LEU 27 N 0.22 0.10 -3.96 0.89 4.77 -1.26 -4.35 117.00 113.40 2ror n LEU 27 Ca 0.04 0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 56.30 2ror n LEU 27 Cb 0.48 -0.53 -0.17 0.00 -2.33 0.00 0.00 43.42 40.87 2ror n LEU 27 CO 0.47 -0.56 -0.45 -1.66 -1.33 0.00 0.00 177.39 173.87 2ror s TRP 28 N -3.05 1.30 -0.10 -1.77 1.48 -1.26 -1.05 118.94 114.48 2ror s TRP 28 Ca -0.00 -0.51 -0.13 0.00 -1.06 0.00 0.00 56.10 54.39 2ror s TRP 28 Cb 0.01 -1.02 0.03 0.00 -1.16 0.00 0.00 33.47 31.33 2ror s TRP 28 CO 0.03 -0.32 0.34 -0.47 -4.06 0.00 0.00 176.95 172.48 2ror s TYR 29 N 1.02 -0.34 -0.26 1.66 5.04 -1.26 -4.67 117.35 118.54 2ror s TYR 29 Ca -0.08 0.79 -0.02 0.00 -2.44 0.00 0.00 57.07 55.31 2ror s TYR 29 Cb -0.15 0.13 0.15 0.00 0.35 0.00 0.00 41.96 42.44 2ror s TYR 29 CO -0.00 -0.24 0.46 0.00 -1.34 0.00 0.00 175.55 174.43 2ror s ALA 30 N -0.18 -1.53 0.35 3.97 0.00 0.47 -4.66 121.76 120.18 2ror s ALA 30 Ca -0.03 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2ror s ALA 30 Cb -0.03 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2ror s ALA 30 CO 0.01 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 174.91 2ror n GLY 31 N 5.39 -0.94 0.00 0.00 0.00 -1.26 -3.23 105.19 105.15 2ror n GLY 31 Ca -0.03 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.73 1.61 -0.04 -1.26 -2.78 135.00 132.29 2ror n PRO 32 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2ror n PRO 32 Cb 0.00 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.72 0.00 -2.23 0.54 1.56 -1.26 -4.89 117.12 110.12 2ror n MET 33 Ca 0.05 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.20 2ror n MET 33 Cb 0.02 -0.53 0.02 0.00 2.15 0.00 0.00 33.22 34.88 2ror n MET 33 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2ror s GLU 34 N -0.53 3.23 0.18 2.12 -1.05 -1.26 -4.86 118.70 116.52 2ror s GLU 34 Ca 0.33 0.32 -0.26 0.00 -0.15 0.00 0.00 54.97 55.22 2ror s GLU 34 Cb -0.43 -2.20 0.04 0.00 -0.44 0.00 0.00 34.13 31.10 2ror s GLU 34 CO 0.31 -0.61 1.56 -0.09 0.95 0.00 0.00 175.26 177.38 2ror h ARG 35 N -0.21 -0.13 -0.92 -4.83 9.65 -2.00 0.39 114.38 116.33 2ror h ARG 35 Ca -0.45 0.01 0.18 0.00 -1.10 0.00 0.00 59.98 58.62 2ror h ARG 35 Cb 1.23 0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 29.73 2ror h ARG 35 CO 0.62 -0.09 0.49 0.00 2.80 0.00 0.00 179.97 183.79 2ror h ALA 36 N 0.70 1.46 -0.78 2.80 0.00 -1.99 0.64 119.26 122.09 2ror h ALA 36 Ca 0.20 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ror h ALA 36 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2ror h ALA 36 CO -0.81 -0.15 0.49 0.78 0.00 0.00 0.00 179.25 179.57 2ror h GLY 37 N 0.61 1.11 0.45 0.00 0.00 -0.62 0.98 103.07 105.61 2ror h GLY 37 Ca 0.53 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2ror h GLY 37 CO -0.41 0.43 -0.06 0.00 0.00 0.00 0.00 176.54 176.49 2ror h ALA 38 N 1.48 -0.17 -0.22 3.60 0.00 -0.05 -2.40 119.26 121.49 2ror h ALA 38 Ca 0.28 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2ror h ALA 38 Cb -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ror h ALA 38 CO -0.06 -0.32 0.08 0.93 0.00 0.00 0.00 179.25 179.89 2ror h GLU 39 N -0.72 0.19 -0.97 0.00 5.08 -1.14 -1.56 114.58 115.45 2ror h GLU 39 Ca -0.02 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2ror h GLU 39 Cb 0.53 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 2ror h GLU 39 CO 0.03 0.12 0.63 1.03 -1.00 0.00 0.00 179.01 179.82 2ror h SER 40 N 0.19 0.98 0.59 1.42 0.87 -0.89 0.28 113.55 117.00 2ror h SER 40 Ca 0.09 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 2ror h SER 40 Cb 0.05 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2ror h SER 40 CO -0.08 0.62 -0.28 0.40 -0.53 0.00 0.00 176.83 176.95 2ror h ILE 41 N 1.11 0.00 0.00 2.23 2.04 -0.88 -2.74 117.51 119.26 2ror h ILE 41 Ca 0.42 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.14 2ror h ILE 41 Cb 0.21 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2ror h ILE 41 CO -0.17 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.16 2ror n LEU 42 N -4.52 0.00 0.07 1.44 4.77 -0.64 -2.62 117.00 115.50 2ror n LEU 42 Ca -0.10 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 2ror n LEU 42 Cb 0.31 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 2ror n LEU 42 CO 0.24 0.00 -0.31 0.00 -1.33 0.00 0.00 177.39 175.99 2ror h ALA 43 N 2.83 0.02 -0.00 -1.18 0.00 -0.13 -3.36 119.26 117.44 2ror h ALA 43 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 54.91 53.69 2ror h ALA 43 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.12 2ror h ALA 43 CO 0.00 0.75 -1.01 -0.91 0.00 0.00 0.00 179.25 178.08 2ror h ASN 44 N -0.08 0.83 -1.80 0.00 2.35 -1.38 -3.46 115.58 112.04 2ror h ASN 44 Ca -0.27 -0.66 -0.15 0.00 -0.55 0.00 0.00 56.30 54.68 2ror h ASN 44 Cb 1.94 -0.25 0.09 0.00 0.05 0.00 0.00 38.32 40.15 2ror h ASN 44 CO 0.17 1.46 -0.06 0.54 -1.65 0.00 0.00 177.43 177.89 2ror n ARG 45 N -3.83 -3.08 -3.01 0.81 5.12 -1.21 -4.98 116.66 106.48 2ror n ARG 45 Ca -0.10 -0.59 -0.34 0.00 -1.93 0.00 0.00 57.85 54.89 2ror n ARG 45 Cb 0.87 -0.75 -0.06 0.00 -1.16 0.00 0.00 32.46 31.36 2ror n ARG 45 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2ror s SER 46 N -2.45 6.99 -0.68 0.55 0.01 -1.26 -4.93 113.70 111.93 2ror s SER 46 Ca 0.27 1.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.73 2ror s SER 46 Cb -0.05 -2.45 -0.13 0.00 0.21 0.00 0.00 66.02 63.61 2ror s SER 46 CO 0.22 -0.13 2.52 0.47 0.41 0.00 0.00 173.24 176.73 2ror n ASP 47 N 0.09 1.57 0.00 2.44 8.00 -1.26 -1.71 116.55 125.68 2ror n ASP 47 Ca 0.02 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2ror n ASP 47 Cb 0.52 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2ror n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ror n GLY 48 N 6.19 0.07 3.76 0.44 0.00 0.11 -4.94 105.19 110.83 2ror n GLY 48 Ca 0.48 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 2.66 0.35 2.61 2.01 -0.70 -1.93 115.64 120.65 2ror s THR 49 Ca 0.00 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.57 2ror s THR 49 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2ror s THR 49 CO 0.00 -0.01 0.26 2.22 -0.69 0.00 0.00 174.62 176.41 2ror n PHE 50 N -0.74 -0.65 -3.87 4.92 -1.74 0.15 -0.56 117.46 114.98 2ror n PHE 50 Ca 0.09 -2.84 -0.01 0.00 -0.56 0.00 0.00 57.45 54.12 2ror n PHE 50 Cb 0.47 0.25 0.01 0.00 1.52 0.00 0.00 39.48 41.72 2ror n PHE 50 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2ror s LEU 51 N 0.00 -0.02 -0.20 5.98 0.05 -0.53 -1.60 118.68 122.36 2ror s LEU 51 Ca 0.37 -0.49 0.01 0.00 0.05 0.00 0.00 54.13 54.07 2ror s LEU 51 Cb 0.02 1.86 0.04 0.00 -2.05 0.00 0.00 46.19 46.06 2ror s LEU 51 CO 0.26 -0.77 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.50 2ror s VAL 52 N -2.29 1.73 0.26 1.48 1.01 -1.26 -2.84 120.40 118.50 2ror s VAL 52 Ca 0.22 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.19 2ror s VAL 52 Cb -0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2ror s VAL 52 CO 0.03 0.17 0.18 -0.13 0.00 0.00 0.00 175.10 175.35 2ror s ARG 53 N 1.35 2.86 0.26 2.72 0.52 0.94 -0.39 118.95 127.21 2ror s ARG 53 Ca -0.02 -1.10 0.12 0.00 -0.52 0.00 0.00 55.73 54.21 2ror s ARG 53 Cb -0.16 -2.52 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 2ror s ARG 53 CO -0.08 0.38 -0.20 -1.14 0.02 0.00 0.00 175.30 174.28 2ror s GLN 54 N -3.84 1.62 0.17 3.54 0.74 -1.12 0.62 119.66 121.40 2ror s GLN 54 Ca 0.33 -1.72 -0.05 0.00 0.05 0.00 0.00 55.36 53.98 2ror s GLN 54 Cb -0.08 -1.72 -0.06 0.00 1.10 0.00 0.00 33.01 32.26 2ror s GLN 54 CO 0.25 0.33 0.41 0.50 -0.55 0.00 0.00 175.29 176.22 2ror s ARG 55 N -3.39 3.63 -0.10 1.67 6.06 -1.25 -4.56 118.95 121.01 2ror s ARG 55 Ca 0.28 -0.06 -0.11 0.00 -2.50 0.00 0.00 55.73 53.34 2ror s ARG 55 Cb -0.05 -2.81 -0.27 0.00 0.06 0.00 0.00 34.95 31.87 2ror s ARG 55 CO 0.13 0.43 0.49 0.28 -2.50 0.00 0.00 175.30 174.14 2ror h VAL 56 N 1.97 0.84 -0.97 7.11 2.07 -1.97 -3.36 116.25 121.93 2ror h VAL 56 Ca -0.46 -2.39 0.29 0.00 0.82 0.00 0.00 66.70 64.95 2ror h VAL 56 Cb 1.17 2.62 -0.14 0.00 -1.52 0.00 0.00 31.29 33.41 2ror h VAL 56 CO 0.72 0.80 0.48 0.11 0.02 0.00 0.00 177.57 179.70 2ror h LYS 57 N -0.08 0.32 -2.54 1.57 1.79 -2.03 -3.40 116.57 112.19 2ror h LYS 57 Ca -0.37 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 57.99 2ror h LYS 57 Cb 1.94 -0.07 -0.24 0.00 -1.58 0.00 0.00 32.23 32.27 2ror h LYS 57 CO 0.09 0.21 -0.19 0.16 -1.08 0.00 0.00 179.45 178.64 2ror s ASP 58 N -4.99 -0.55 -0.11 0.86 1.47 -1.26 -5.03 116.67 107.05 2ror s ASP 58 Ca -0.11 1.00 -0.01 0.00 1.18 0.00 0.00 52.55 54.61 2ror s ASP 58 Cb 0.29 0.94 0.05 0.00 -0.34 0.00 0.00 42.92 43.86 2ror s ASP 58 CO 0.79 -0.18 2.11 0.00 0.68 0.00 0.00 175.17 178.56 2ror n ALA 59 N 3.53 4.52 -2.15 2.11 0.00 -1.26 -3.82 120.51 123.44 2ror n ALA 59 Ca -0.18 -0.67 0.04 0.00 0.00 0.00 0.00 53.44 52.63 2ror n ALA 59 Cb 0.56 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.90 2ror n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ror n ALA 60 N 1.19 2.92 -3.00 0.00 0.00 -1.26 -5.08 120.51 115.27 2ror n ALA 60 Ca 0.12 -2.76 -0.10 0.00 0.00 0.00 0.00 53.44 50.71 2ror n ALA 60 Cb 0.55 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.41 1.49 0.34 0.00 2.02 -1.25 -4.42 118.70 115.48 2ror s GLU 61 Ca 0.36 -1.33 -0.07 0.00 0.02 0.00 0.00 54.97 53.95 2ror s GLU 61 Cb 0.38 0.44 0.01 0.00 0.10 0.00 0.00 34.13 35.06 2ror s GLU 61 CO -0.12 -0.60 0.55 -0.06 0.02 0.00 0.00 175.26 175.05 2ror s PHE 62 N -4.03 0.75 -0.03 1.61 0.08 -1.14 -3.95 117.98 111.28 2ror s PHE 62 Ca 0.26 -1.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.00 2ror s PHE 62 Cb 0.01 0.17 0.04 0.00 -0.57 0.00 0.00 43.02 42.67 2ror s PHE 62 CO 0.10 -1.23 0.43 0.00 -0.10 0.00 0.00 175.22 174.42 2ror s ALA 63 N -2.99 -1.09 -0.36 5.36 0.00 0.20 0.15 121.76 123.03 2ror s ALA 63 Ca 0.26 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2ror s ALA 63 Cb -0.02 0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.22 2ror s ALA 63 CO 0.17 -0.29 0.07 0.42 0.00 0.00 0.00 175.76 176.13 2ror s ILE 64 N -1.21 2.26 -0.15 0.00 1.01 -0.30 -0.04 121.20 122.77 2ror s ILE 64 Ca -0.12 -2.41 -0.12 0.00 0.00 0.00 0.00 60.65 58.00 2ror s ILE 64 Cb -0.04 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2ror s ILE 64 CO 0.06 -0.62 0.23 -0.55 0.00 0.00 0.00 174.94 174.05 2ror s SER 65 N 0.80 6.40 0.01 3.58 0.15 -1.13 -2.85 113.70 120.66 2ror s SER 65 Ca 0.12 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.24 2ror s SER 65 Cb -0.20 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2ror s SER 65 CO -0.08 0.20 -0.03 -0.51 1.20 0.00 0.00 173.24 174.02 2ror s ILE 66 N 0.01 0.20 -0.25 6.45 -1.16 -0.47 -1.45 121.20 124.53 2ror s ILE 66 Ca 0.15 -0.33 -0.22 0.00 -0.51 0.00 0.00 60.65 59.74 2ror s ILE 66 Cb -0.13 -0.22 -0.01 0.00 0.61 0.00 0.00 42.46 42.71 2ror s ILE 66 CO 0.03 -0.09 0.71 -0.75 -2.81 0.00 0.00 174.94 172.03 2ror s LYS 67 N -0.44 4.15 -0.28 3.50 2.47 0.28 -1.07 119.74 128.35 2ror s LYS 67 Ca -0.03 0.71 -0.23 0.00 -1.56 0.00 0.00 55.97 54.85 2ror s LYS 67 Cb -0.03 -3.64 0.10 0.00 -1.46 0.00 0.00 37.83 32.79 2ror s LYS 67 CO -0.00 -0.44 0.87 -0.47 0.16 0.00 0.00 175.35 175.46 2ror s TYR 68 N 2.59 -0.67 -0.37 4.03 5.04 -0.35 0.08 117.35 127.70 2ror s TYR 68 Ca 0.30 1.56 -0.01 0.00 -2.44 0.00 0.00 57.07 56.48 2ror s TYR 68 Cb -0.15 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 2ror s TYR 68 CO 0.08 -0.33 0.32 -1.71 -1.34 0.00 0.00 175.55 172.57 2ror n ASN 69 N 2.78 -2.62 -1.99 4.32 2.85 -1.26 -3.27 115.26 116.07 2ror n ASN 69 Ca -0.14 -0.21 -0.03 0.00 -0.11 0.00 0.00 54.58 54.08 2ror n ASN 69 Cb 0.56 -2.03 -0.01 0.00 1.24 0.00 0.00 39.78 39.55 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 -2.04 -0.10 -3.63 3.44 0.24 -1.26 -4.83 118.33 110.15 2ror n VAL 70 Ca -0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 2ror n VAL 70 Cb 0.55 -0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 32.42 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 -4.03 0.83 -0.32 7.34 0.41 -1.20 -5.14 118.70 116.59 2ror s GLU 71 Ca 0.00 0.63 -0.19 0.00 -0.41 0.00 0.00 54.97 55.01 2ror s GLU 71 Cb 0.00 0.40 -0.01 0.00 -1.78 0.00 0.00 34.13 32.74 2ror s GLU 71 CO 0.00 -0.16 0.54 0.08 -0.49 0.00 0.00 175.26 175.23 2ror s VAL 72 N -0.22 5.01 0.36 2.63 1.01 -1.26 -1.21 120.40 126.73 2ror s VAL 72 Ca -0.04 0.60 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2ror s VAL 72 Cb -0.03 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2ror s VAL 72 CO 0.04 -0.12 0.56 -0.54 0.00 0.00 0.00 175.10 175.03 2ror s LYS 73 N 2.43 3.34 -0.03 2.72 -0.14 -0.23 -4.94 119.74 122.89 2ror s LYS 73 Ca 0.21 -0.46 -0.09 0.00 -1.36 0.00 0.00 55.97 54.27 2ror s LYS 73 Cb -0.15 -2.67 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 2ror s LYS 73 CO 0.12 0.06 0.20 -1.01 -0.76 0.00 0.00 175.35 173.95 2ror s HIS 74 N -2.34 -0.10 -0.00 3.18 3.76 -1.26 -1.37 115.29 117.15 2ror s HIS 74 Ca 0.42 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.55 2ror s HIS 74 Cb -0.10 0.03 -0.01 0.00 1.11 0.00 0.00 32.58 33.61 2ror s HIS 74 CO 0.36 -0.24 -0.06 0.42 -0.85 0.00 0.00 174.74 174.36 2ror s ILE 75 N -0.81 0.51 0.38 0.60 1.01 -1.13 -4.97 121.20 116.78 2ror s ILE 75 Ca -0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 2ror s ILE 75 Cb -0.05 -0.43 -0.08 0.00 0.01 0.00 0.00 42.46 41.91 2ror s ILE 75 CO 0.02 0.13 0.78 -0.75 0.00 0.00 0.00 174.94 175.11 2ror s LYS 76 N -0.20 3.91 -0.13 2.79 2.20 -1.26 -1.15 119.74 125.91 2ror s LYS 76 Ca 0.02 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 2ror s LYS 76 Cb -0.03 -2.38 0.01 0.00 -1.51 0.00 0.00 37.83 33.93 2ror s LYS 76 CO -0.00 0.03 -0.17 0.42 -0.36 0.00 0.00 175.35 175.26 2ror s ILE 77 N -2.22 1.71 0.57 5.43 1.01 0.39 -4.38 121.20 123.71 2ror s ILE 77 Ca 0.54 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 2ror s ILE 77 Cb -0.10 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.85 2ror s ILE 77 CO 0.24 0.48 0.82 -0.04 0.00 0.00 0.00 174.94 176.44 2ror s MET 78 N 1.00 2.58 -0.04 2.79 -1.94 0.20 -2.87 119.30 121.02 2ror s MET 78 Ca -0.05 -0.57 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 2ror s MET 78 Cb -0.15 -2.42 0.02 0.00 2.01 0.00 0.00 34.83 34.30 2ror s MET 78 CO -0.03 -0.75 0.10 0.95 -0.01 0.00 0.00 175.02 175.28 2ror s THR 79 N -2.85 -0.02 -0.16 2.05 -4.23 -1.26 -1.95 115.64 107.22 2ror s THR 79 Ca 0.56 0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 2ror s THR 79 Cb -0.10 -0.16 0.05 0.00 1.34 0.00 0.00 72.50 73.63 2ror s THR 79 CO 0.40 0.03 0.04 0.00 -0.54 0.00 0.00 174.62 174.55 2ror s ALA 80 N 0.53 0.85 -1.53 3.99 0.00 -1.22 -4.82 121.76 119.57 2ror s ALA 80 Ca -0.04 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 2ror s ALA 80 Cb -0.06 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.05 2ror s ALA 80 CO -0.02 -1.02 0.46 0.39 0.00 0.00 0.00 175.76 175.57 2ror n GLU 81 N 5.10 -2.78 -1.26 0.00 1.02 -1.26 -0.38 120.64 121.08 2ror n GLU 81 Ca -0.08 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 2ror n GLU 81 Cb 0.48 -4.54 0.00 0.00 -0.02 0.00 0.00 31.44 27.36 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 -1.89 0.54 3.74 0.62 0.00 -1.26 -5.06 105.19 101.88 2ror n GLY 82 Ca -0.19 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 2ror n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ror n LEU 83 N 0.00 0.00 -3.67 0.99 4.77 0.49 -4.69 117.00 114.89 2ror n LEU 83 Ca 0.00 -2.69 -0.08 0.00 -0.03 0.00 0.00 56.01 53.21 2ror n LEU 83 Cb 0.21 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 2ror n LEU 83 CO 0.00 -0.62 0.11 -0.31 -1.33 0.00 0.00 177.39 175.24 2ror s TYR 84 N -2.62 -0.81 -0.28 -1.77 1.51 -1.15 -3.39 117.35 108.83 2ror s TYR 84 Ca 0.39 1.60 -0.16 0.00 -1.01 0.00 0.00 57.07 57.89 2ror s TYR 84 Cb -0.03 0.39 0.09 0.00 -0.11 0.00 0.00 41.96 42.31 2ror s TYR 84 CO 0.25 -0.45 0.76 -0.98 -1.11 0.00 0.00 175.55 174.02 2ror s ARG 85 N 1.98 0.64 0.21 -0.62 1.70 -0.82 -1.33 118.95 120.70 2ror s ARG 85 Ca -0.07 1.08 0.24 0.00 -0.47 0.00 0.00 55.73 56.52 2ror s ARG 85 Cb -0.09 0.14 0.44 0.00 -0.57 0.00 0.00 34.95 34.86 2ror s ARG 85 CO -0.15 -0.13 1.47 -0.84 -1.08 0.00 0.00 175.30 174.57 2ror h ILE 86 N 4.95 0.00 -2.75 4.99 -2.65 -1.79 0.58 117.51 120.85 2ror h ILE 86 Ca -0.30 -0.64 -0.13 0.00 1.03 0.00 0.00 64.86 64.82 2ror h ILE 86 Cb 1.22 1.41 -0.26 0.00 -2.05 0.00 0.00 36.82 37.14 2ror h ILE 86 CO 0.16 0.00 -0.31 0.42 0.03 0.00 0.00 178.15 178.45 2ror s THR 87 N -3.18 -0.02 0.61 0.16 -4.23 -1.26 -4.82 115.64 102.89 2ror s THR 87 Ca 0.07 0.07 0.27 0.00 -1.18 0.00 0.00 61.69 60.92 2ror s THR 87 Cb 0.11 -0.56 0.36 0.00 1.34 0.00 0.00 72.50 73.75 2ror s THR 87 CO 0.68 0.03 1.72 1.05 -0.54 0.00 0.00 174.62 177.56 2ror h GLU 88 N 6.61 0.00 0.09 3.99 4.11 -2.03 -0.17 114.58 127.18 2ror h GLU 88 Ca -0.34 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.10 2ror h GLU 88 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2ror h GLU 88 CO 0.30 0.00 -0.14 0.87 0.07 0.00 0.00 179.01 180.10 2ror h LYS 89 N 0.00 -0.27 -6.70 1.06 1.79 -2.00 -3.43 116.57 107.02 2ror h LYS 89 Ca 0.25 0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 58.05 2ror h LYS 89 Cb 1.58 0.06 -0.22 0.00 -1.58 0.00 0.00 32.23 32.08 2ror h LYS 89 CO -0.00 -0.18 -0.83 0.21 -1.08 0.00 0.00 179.45 177.57 2ror s LYS 90 N -6.14 1.82 0.21 3.15 2.47 -0.07 -5.14 119.74 116.04 2ror s LYS 90 Ca -0.15 -1.13 0.04 0.00 -1.56 0.00 0.00 55.97 53.18 2ror s LYS 90 Cb 0.07 -2.08 -0.05 0.00 -1.46 0.00 0.00 37.83 34.31 2ror s LYS 90 CO 0.66 0.50 -0.03 0.00 0.16 0.00 0.00 175.35 176.64 2ror s ALA 91 N -1.00 1.73 0.28 3.13 0.00 -1.26 -4.23 121.76 120.41 2ror s ALA 91 Ca 0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 2ror s ALA 91 Cb -0.10 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2ror s ALA 91 CO 0.06 -0.21 0.37 -0.06 0.00 0.00 0.00 175.76 175.92 2ror s PHE 92 N -3.39 0.94 -0.14 0.00 0.40 -0.44 -5.00 117.98 110.35 2ror s PHE 92 Ca 0.26 -1.18 -0.06 0.00 -0.60 0.00 0.00 56.93 55.35 2ror s PHE 92 Cb 0.05 -0.18 -0.25 0.00 0.51 0.00 0.00 43.02 43.15 2ror s PHE 92 CO 0.07 -0.94 0.29 -2.13 0.70 0.00 0.00 175.22 173.21 2ror n ARG 93 N -0.44 0.74 -4.05 0.44 3.00 -1.26 -2.96 116.66 112.14 2ror n ARG 93 Ca 0.01 0.25 -0.08 0.00 -0.00 0.00 0.00 57.85 58.04 2ror n ARG 93 Cb 0.63 -1.69 -0.09 0.00 0.00 0.00 0.00 32.46 31.31 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ror s GLY 94 N -5.69 0.48 0.24 5.14 0.00 -1.26 -4.27 107.32 101.96 2ror s GLY 94 Ca -0.24 -1.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.32 2ror s GLY 94 CO 0.74 -1.20 1.79 -2.00 0.00 0.00 0.00 173.10 172.44 2ror h LEU 95 N 2.99 0.57 0.73 0.66 5.85 -1.91 -2.49 115.31 121.72 2ror h LEU 95 Ca -0.34 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 2ror h LEU 95 Cb 1.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2ror h LEU 95 CO 0.62 0.31 -0.38 0.74 -0.34 0.00 0.00 178.44 179.39 2ror h THR 96 N 0.69 0.00 -0.98 1.05 2.02 -1.98 -1.61 112.91 112.10 2ror h THR 96 Ca 0.39 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.91 2ror h THR 96 Cb 0.41 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.65 2ror h THR 96 CO -0.27 0.00 0.36 -0.33 0.37 0.00 0.00 175.52 175.65 2ror h GLU 97 N -1.02 0.09 -0.13 6.66 4.39 -1.92 1.80 114.58 124.46 2ror h GLU 97 Ca -0.10 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2ror h GLU 97 Cb 0.79 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2ror h GLU 97 CO 0.14 0.06 -0.33 1.25 -1.16 0.00 0.00 179.01 178.97 2ror h LEU 98 N 0.09 0.26 0.04 1.33 6.46 -1.18 -1.85 115.31 120.46 2ror h LEU 98 Ca 0.72 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.38 2ror h LEU 98 Cb 1.71 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.57 2ror h LEU 98 CO -0.77 0.59 -0.02 0.58 -0.62 0.00 0.00 178.44 178.20 2ror h VAL 99 N 0.23 0.61 0.00 1.05 2.07 0.35 -2.75 116.25 117.80 2ror h VAL 99 Ca 0.03 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2ror h VAL 99 Cb 0.70 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2ror h VAL 99 CO 0.05 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.22 2ror n GLU 100 N -4.77 0.05 -0.09 1.57 1.02 0.14 -2.09 120.64 116.47 2ror n GLU 100 Ca -0.04 0.26 -0.23 0.00 -0.02 0.00 0.00 57.16 57.13 2ror n GLU 100 Cb 0.18 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.98 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 -1.30 0.63 -0.17 -0.32 7.35 -0.69 -4.31 117.46 118.64 2ror n PHE 101 Ca 0.02 0.21 0.10 0.00 -0.76 0.00 0.00 57.45 57.02 2ror n PHE 101 Cb 0.03 -1.07 0.41 0.00 0.35 0.00 0.00 39.48 39.21 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 -0.60 0.65 0.00 -5.13 0.05 -1.10 -0.10 116.97 110.74 2ror h TYR 102 Ca -0.50 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2ror h TYR 102 Cb 1.65 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 39.18 2ror h TYR 102 CO 0.03 0.31 0.41 1.96 -1.05 0.00 0.00 178.16 179.82 2ror h GLN 103 N 0.61 0.00 0.00 4.88 4.20 -1.72 -0.14 115.11 122.95 2ror h GLN 103 Ca 0.33 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.83 2ror h GLN 103 Cb 0.48 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 2ror h GLN 103 CO -0.12 0.00 -1.79 1.04 -0.67 0.00 0.00 178.83 177.29 2ror n GLN 104 N -2.41 0.99 -3.64 1.46 3.00 -0.09 -4.85 117.38 111.84 2ror n GLN 104 Ca -0.01 0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 2ror n GLN 104 Cb 0.44 -1.28 -0.11 0.00 0.00 0.00 0.00 30.24 29.28 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 -5.02 5.60 0.19 1.08 2.20 -0.06 -5.06 114.94 113.87 2ror s ASN 105 Ca -0.14 -0.78 -0.32 0.00 -0.94 0.00 0.00 52.86 50.68 2ror s ASN 105 Cb 0.04 -2.00 -0.16 0.00 -2.00 0.00 0.00 41.25 37.14 2ror s ASN 105 CO 0.37 -0.29 1.05 -1.20 -2.94 0.00 0.00 177.10 174.09 2ror n SER 106 N 4.98 0.95 0.33 3.54 7.64 -1.26 -4.52 113.62 125.28 2ror n SER 106 Ca -0.13 1.15 0.19 0.00 1.01 0.00 0.00 58.87 61.09 2ror n SER 106 Cb 0.47 -1.18 1.02 0.00 -1.01 0.00 0.00 64.21 63.52 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ror h LEU 107 N 2.80 0.00 -2.46 -3.43 3.38 -1.66 -0.43 115.31 113.51 2ror h LEU 107 Ca -0.41 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2ror h LEU 107 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2ror h LEU 107 CO 0.66 0.00 0.11 0.07 0.09 0.00 0.00 178.44 179.38 2ror h LYS 108 N 0.00 0.00 -0.91 1.13 2.10 -0.52 -1.11 116.57 117.27 2ror h LYS 108 Ca 0.00 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.84 2ror h LYS 108 Cb 0.33 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.59 2ror h LYS 108 CO -0.00 0.00 0.59 -0.44 -2.00 0.00 0.00 179.45 177.60 2ror h ASP 109 N 0.00 0.50 0.00 7.07 3.32 -1.34 -3.34 116.42 122.62 2ror h ASP 109 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2ror h ASP 109 Cb 0.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ror h ASP 109 CO -0.00 0.21 -0.36 0.00 -1.72 0.00 0.00 179.24 177.37 2ror s PHE 111 N -2.26 3.02 0.20 0.00 0.08 -0.51 -4.94 117.98 113.58 2ror s PHE 111 Ca -0.10 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.35 2ror s PHE 111 Cb 0.01 -3.59 0.25 0.00 -0.57 0.00 0.00 43.02 39.13 2ror s PHE 111 CO 0.15 -1.06 1.68 -0.22 -0.10 0.00 0.00 175.22 175.67 2ror h LYS 112 N 9.02 0.14 -0.79 0.44 1.63 -1.82 -2.04 116.57 123.16 2ror h LYS 112 Ca -0.27 -0.01 0.12 0.00 -0.85 0.00 0.00 60.65 59.64 2ror h LYS 112 Cb 1.09 -0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 32.56 2ror h LYS 112 CO 0.98 0.10 -0.40 0.66 -3.45 0.00 0.00 179.45 177.33 2ror h SER 113 N 0.15 -1.45 -1.84 4.20 4.64 -1.92 -3.29 113.55 114.05 2ror h SER 113 Ca 0.29 0.28 -0.51 0.00 -0.47 0.00 0.00 61.79 61.38 2ror h SER 113 Cb 0.45 0.71 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 2ror h SER 113 CO -0.45 -0.30 1.18 -0.76 -0.87 0.00 0.00 176.83 175.63 2ror s LEU 114 N -10.75 3.26 -0.19 5.97 2.01 -0.77 -4.82 118.68 113.39 2ror s LEU 114 Ca -0.14 -0.43 0.06 0.00 0.01 0.00 0.00 54.13 53.64 2ror s LEU 114 Cb 0.17 -2.55 0.48 0.00 0.01 0.00 0.00 46.19 44.29 2ror s LEU 114 CO 0.69 -2.04 1.38 0.47 1.01 0.00 0.00 176.35 177.85 2ror n ASP 115 N 10.80 3.79 -3.98 2.29 8.00 -1.24 -0.01 116.55 136.20 2ror n ASP 115 Ca 0.18 -2.72 -0.09 0.00 0.71 0.00 0.00 54.79 52.86 2ror n ASP 115 Cb 0.50 -0.65 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 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 -2.08 0.08 0.32 -3.53 -1.32 -1.26 -4.82 115.64 103.03 2ror s THR 116 Ca 0.34 -1.44 0.10 0.00 -1.21 0.00 0.00 61.69 59.48 2ror s THR 116 Cb 0.27 -1.80 -0.05 0.00 -1.51 0.00 0.00 72.50 69.41 2ror s THR 116 CO 0.09 -0.38 -0.06 0.28 -2.21 0.00 0.00 174.62 172.34 2ror s THR 117 N -3.96 2.63 -0.57 5.08 -1.32 -1.26 -2.44 115.64 113.80 2ror s THR 117 Ca 0.16 -2.11 -0.40 0.00 -1.21 0.00 0.00 61.69 58.13 2ror s THR 117 Cb 0.04 -2.66 -0.18 0.00 -1.51 0.00 0.00 72.50 68.19 2ror s THR 117 CO -0.01 -0.27 2.26 0.18 -2.21 0.00 0.00 174.62 174.56 2ror n LEU 118 N -0.83 0.90 -0.09 9.08 4.77 -1.26 -4.81 117.00 124.75 2ror n LEU 118 Ca -0.05 0.52 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2ror n LEU 118 Cb 0.62 -0.97 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2ror n LEU 118 CO 0.42 -0.77 -0.22 1.56 -1.33 0.00 0.00 177.39 177.04 2ror h GLN 119 N 10.28 0.00 -3.41 3.23 1.08 -1.74 -3.42 115.11 121.12 2ror h GLN 119 Ca -0.12 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.89 2ror h GLN 119 Cb 1.38 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.55 2ror h GLN 119 CO 1.14 0.89 -0.56 -0.06 -0.95 0.00 0.00 178.83 179.29 2ror s PHE 120 N -2.28 -0.14 1.12 2.96 0.08 -1.05 -4.95 117.98 113.72 2ror s PHE 120 Ca -0.24 0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.99 2ror s PHE 120 Cb 0.03 0.05 0.25 0.00 -0.57 0.00 0.00 43.02 42.77 2ror s PHE 120 CO 0.57 -0.08 1.10 -1.25 -0.10 0.00 0.00 175.22 175.46 2ror s PRO 121 N 0.01 -0.53 0.08 0.24 0.04 -1.26 0.31 135.00 133.89 2ror s PRO 121 Ca -0.01 0.18 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 2ror s PRO 121 Cb -0.01 -1.65 -0.16 0.00 0.04 0.00 0.00 34.50 32.71 2ror s PRO 121 CO 0.00 -3.30 1.68 0.35 0.04 0.00 0.00 177.00 175.77 2ror h PHE 122 N -2.29 -0.28 0.00 0.56 3.57 -1.36 -3.34 116.94 113.79 2ror h PHE 122 Ca -0.50 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2ror h PHE 122 Cb 1.31 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.14 2ror h PHE 122 CO -1.03 -0.16 0.00 1.63 -2.23 0.00 0.00 178.31 176.52 2ror n LYS 123 N -5.21 0.00 -3.64 1.11 5.02 -0.22 -5.01 118.16 110.21 2ror n LYS 123 Ca -0.09 0.38 -0.05 0.00 -2.02 0.00 0.00 58.31 56.53 2ror n LYS 123 Cb 0.15 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.92 0.18 -0.23 1.97 -1.05 -1.25 -5.11 118.70 111.29 2ror s GLU 124 Ca 0.00 0.21 -0.29 0.00 -0.15 0.00 0.00 54.97 54.74 2ror s GLU 124 Cb 0.00 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 2ror s GLU 124 CO 0.00 -0.02 1.61 -1.25 0.95 0.00 0.00 175.26 176.55 2ror s PRO 125 N 0.02 3.78 -0.06 -4.83 0.04 -1.26 -4.68 135.00 128.01 2ror s PRO 125 Ca 0.06 1.64 0.09 0.00 0.04 0.00 0.00 61.00 62.84 2ror s PRO 125 Cb -0.05 -4.04 0.14 0.00 0.04 0.00 0.00 34.50 30.60 2ror s PRO 125 CO -0.13 -1.31 1.04 0.39 0.04 0.00 0.00 177.00 177.03 2ror n GLU 126 N 7.68 1.51 -3.67 4.56 -0.58 -1.26 -5.00 120.64 123.89 2ror n GLU 126 Ca 0.19 -1.89 -0.22 0.00 -0.42 0.00 0.00 57.16 54.81 2ror n GLU 126 Cb 0.45 -1.14 0.05 0.00 -0.57 0.00 0.00 31.44 30.23 2ror n GLU 126 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2ror n LYS 127 N -0.86 -5.85 -2.97 3.49 4.76 -1.26 -4.92 118.16 110.55 2ror n LYS 127 Ca 0.08 0.70 -0.44 0.00 -2.87 0.00 0.00 58.31 55.78 2ror n LYS 127 Cb 0.52 -5.49 -0.04 0.00 -1.84 0.00 0.00 35.03 28.18 2ror n LYS 127 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2ror s ARG 128 N -6.00 3.09 -0.07 1.97 3.00 -1.26 -5.00 118.95 114.67 2ror s ARG 128 Ca 0.21 -1.05 -0.06 0.00 -1.00 0.00 0.00 55.73 53.83 2ror s ARG 128 Cb -0.10 -4.25 0.02 0.00 0.00 0.00 0.00 34.95 30.62 2ror s ARG 128 CO 0.79 -1.70 0.18 0.99 0.00 0.00 0.00 175.30 175.56 2ror s THR 129 N 3.46 -0.01 -0.28 4.11 2.01 -1.26 -4.99 115.64 118.69 2ror s THR 129 Ca 0.18 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.00 2ror s THR 129 Cb -0.20 -0.27 0.10 0.00 0.01 0.00 0.00 72.50 72.14 2ror s THR 129 CO 0.08 0.01 0.81 -0.51 -0.69 0.00 0.00 174.62 174.32 2ror s ILE 130 N 0.31 0.00 -0.43 1.82 1.10 -1.26 -5.13 121.20 117.61 2ror s ILE 130 Ca -0.02 0.00 -0.06 0.00 -0.51 0.00 0.00 60.65 60.06 2ror s ILE 130 Cb -0.03 -1.00 0.11 0.00 0.15 0.00 0.00 42.46 41.68 2ror s ILE 130 CO -0.01 0.00 0.25 -0.44 -2.11 0.00 0.00 174.94 172.63 2ror s SER 131 N 0.97 5.46 -0.28 4.50 0.01 -1.26 -5.04 113.70 118.07 2ror s SER 131 Ca -0.05 -1.87 -0.18 0.00 1.31 0.00 0.00 55.95 55.16 2ror s SER 131 Cb -0.05 -1.91 0.08 0.00 0.21 0.00 0.00 66.02 64.35 2ror s SER 131 CO -0.11 -0.58 0.73 -0.13 0.41 0.00 0.00 173.24 173.56 2ror s ARG 132 N 1.27 0.71 0.06 12.44 0.52 -1.26 -5.07 118.95 127.61 2ror s ARG 132 Ca 0.06 1.12 -0.38 0.00 -0.52 0.00 0.00 55.73 56.01 2ror s ARG 132 Cb -0.24 0.19 -0.21 0.00 0.52 0.00 0.00 34.95 35.22 2ror s ARG 132 CO -0.02 -0.13 1.57 0.77 0.02 0.00 0.00 175.30 177.51 2ror h SER 133 N 6.43 -1.17 -2.43 0.23 0.02 -2.07 -3.48 113.55 111.08 2ror h SER 133 Ca -0.30 0.04 0.26 0.00 -0.84 0.00 0.00 61.79 60.96 2ror h SER 133 Cb 1.21 0.31 -0.07 0.00 0.14 0.00 0.00 62.40 63.99 2ror h SER 133 CO 0.14 -0.82 -0.35 0.61 -1.14 0.00 0.00 176.83 175.27 2ror n GLY 134 N -1.68 -1.51 3.69 -3.77 0.00 -1.26 -4.67 105.19 95.99 2ror n GLY 134 Ca -0.17 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 2ror n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 135 N -1.50 4.27 -0.16 1.61 0.04 -1.26 -5.02 135.00 132.98 2ror s PRO 135 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 2ror s PRO 135 Cb 0.00 -3.59 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 2ror s PRO 135 CO 0.00 -0.61 -0.11 -1.54 0.04 0.00 0.00 177.00 174.78 2ror s SER 136 N 1.99 3.97 0.24 6.66 1.04 -1.26 -4.94 113.70 121.40 2ror s SER 136 Ca 0.65 -0.39 -0.06 0.00 0.48 0.00 0.00 55.95 56.63 2ror s SER 136 Cb -0.32 -1.63 0.44 0.00 0.10 0.00 0.00 66.02 64.61 2ror s SER 136 CO 0.27 0.09 1.67 -1.28 0.98 0.00 0.00 173.24 174.97 2ror h SER 137 N 7.31 -0.10 0.00 7.02 0.87 -1.96 -3.55 113.55 123.14 2ror h SER 137 Ca -0.33 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2ror h SER 137 Cb 1.19 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2ror h SER 137 CO 0.58 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.41