#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 -0.01 0.31 1.61 0.01 -1.26 -5.19 113.70 109.17 2ror s SER 2 Ca 0.00 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.20 2ror s SER 2 Cb 0.00 0.71 0.01 0.00 0.21 0.00 0.00 66.02 66.95 2ror s SER 2 CO 0.00 -1.36 0.59 -0.55 0.41 0.00 0.00 173.24 172.33 2ror s SER 3 N -3.02 0.15 0.00 2.44 0.15 -1.26 -5.19 113.70 106.98 2ror s SER 3 Ca 0.18 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2ror s SER 3 Cb -0.04 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2ror s SER 3 CO 0.10 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.81 2ror n GLY 4 N -0.47 5.54 3.82 9.45 0.00 -1.26 -5.19 105.19 117.07 2ror n GLY 4 Ca -0.03 -1.41 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 1.00 -0.17 0.14 1.61 1.04 -1.26 -5.19 113.70 110.88 2ror s SER 5 Ca 0.00 -0.61 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 2ror s SER 5 Cb 0.00 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 2ror s SER 5 CO 0.00 -1.19 0.26 -0.94 0.98 0.00 0.00 173.24 172.35 2ror s SER 6 N -2.99 0.06 0.00 7.02 1.04 -1.26 -5.18 113.70 112.38 2ror s SER 6 Ca 0.13 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2ror s SER 6 Cb -0.04 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2ror s SER 6 CO 0.06 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2ror n GLY 7 N -0.18 2.66 3.64 7.32 0.00 -1.26 -5.16 105.19 112.22 2ror n GLY 7 Ca -0.09 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 43.88 2ror n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ror s LYS 8 N 3.06 0.28 0.53 1.61 2.47 -1.26 -5.19 119.74 121.24 2ror s LYS 8 Ca 0.00 0.32 0.06 0.00 -1.56 0.00 0.00 55.97 54.79 2ror s LYS 8 Cb 0.00 0.14 0.03 0.00 -1.46 0.00 0.00 37.83 36.54 2ror s LYS 8 CO 0.00 -0.04 0.42 0.00 0.16 0.00 0.00 175.35 175.90 2ror s ALA 9 N 0.07 4.40 -0.14 3.13 0.00 -1.26 -5.15 121.76 122.81 2ror s ALA 9 Ca 0.05 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 2ror s ALA 9 Cb -0.05 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.33 2ror s ALA 9 CO -0.11 -0.45 0.44 -2.00 0.00 0.00 0.00 175.76 173.64 2ror s GLU 10 N -4.28 0.57 0.17 0.00 2.56 -1.26 -5.17 118.70 111.27 2ror s GLU 10 Ca 0.37 0.50 0.07 0.00 0.00 0.00 0.00 54.97 55.91 2ror s GLU 10 Cb -0.02 0.27 -0.04 0.00 2.00 0.00 0.00 34.13 36.34 2ror s GLU 10 CO 0.23 -0.09 -0.14 0.00 -0.56 0.00 0.00 175.26 174.70 2ror s ALA 11 N -0.03 1.75 -0.17 6.30 0.00 -1.26 -5.15 121.76 123.20 2ror s ALA 11 Ca -0.02 -1.51 -0.08 0.00 0.00 0.00 0.00 51.96 50.35 2ror s ALA 11 Cb -0.03 -0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.09 2ror s ALA 11 CO 0.02 0.06 0.38 -1.21 0.00 0.00 0.00 175.76 175.00 2ror s GLU 12 N -3.33 0.33 0.42 0.00 2.02 -1.26 -5.17 118.70 111.71 2ror s GLU 12 Ca 0.17 0.83 0.08 0.00 0.02 0.00 0.00 54.97 56.07 2ror s GLU 12 Cb -0.02 0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.27 2ror s GLU 12 CO 0.04 -0.20 0.47 1.14 0.02 0.00 0.00 175.26 176.74 2ror s GLN 13 N 1.84 2.69 -0.13 1.61 0.00 -1.26 -5.13 119.66 119.27 2ror s GLN 13 Ca -0.06 -1.38 -0.07 0.00 -0.00 0.00 0.00 55.36 53.85 2ror s GLN 13 Cb -0.10 -2.57 0.05 0.00 0.00 0.00 0.00 33.01 30.39 2ror s GLN 13 CO -0.12 -0.22 0.31 -0.80 0.00 0.00 0.00 175.29 174.46 2ror s ASN 14 N -4.23 -0.33 -0.30 12.60 0.01 -1.26 -5.05 114.94 116.38 2ror s ASN 14 Ca 0.51 0.67 0.17 0.00 -0.71 0.00 0.00 52.86 53.50 2ror s ASN 14 Cb -0.07 0.57 0.48 0.00 0.41 0.00 0.00 41.25 42.64 2ror s ASN 14 CO 0.30 -0.18 1.09 0.79 -1.51 0.00 0.00 177.10 177.60 2ror n TRP 15 N 4.31 1.76 -3.28 2.20 7.02 -1.26 -5.02 117.44 123.18 2ror n TRP 15 Ca -0.24 -2.38 -0.46 0.00 -1.02 0.00 0.00 57.50 53.40 2ror n TRP 15 Cb 0.54 -0.27 -0.03 0.00 -2.42 0.00 0.00 31.31 29.12 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 -3.60 3.47 -0.67 -5.99 -2.14 -1.26 -4.97 118.94 103.79 2ror s TRP 16 Ca 0.34 -1.61 0.05 0.00 2.66 0.00 0.00 56.10 57.54 2ror s TRP 16 Cb 0.38 -3.86 0.16 0.00 -3.10 0.00 0.00 33.47 27.05 2ror s TRP 16 CO -0.02 -1.06 0.45 -1.21 -2.66 0.00 0.00 176.95 172.45 2ror s GLU 17 N 1.07 2.34 -0.71 3.25 8.01 -1.26 -4.91 118.70 126.50 2ror s GLU 17 Ca 0.13 -3.20 -0.10 0.00 0.01 0.00 0.00 54.97 51.81 2ror s GLU 17 Cb -0.18 -3.35 0.01 0.00 -4.31 0.00 0.00 34.13 26.30 2ror s GLU 17 CO -0.03 -1.26 0.45 0.41 0.01 0.00 0.00 175.26 174.84 2ror n GLY 18 N 2.18 -0.80 3.77 -1.39 0.00 -1.26 -4.86 105.19 102.82 2ror n GLY 18 Ca 0.18 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.22 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 -5.22 2.96 0.71 1.61 0.04 -1.26 -5.05 135.00 128.80 2ror s PRO 19 Ca 0.14 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2ror s PRO 19 Cb -0.08 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.67 2ror s PRO 19 CO 0.67 -1.13 0.63 -0.35 0.04 0.00 0.00 177.00 176.85 2ror n PRO 20 N -2.09 -2.25 -1.06 0.56 -0.04 -1.26 -4.87 135.00 123.99 2ror n PRO 20 Ca 0.11 -1.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.17 2ror n PRO 20 Cb 0.52 -0.94 -0.04 0.00 -0.04 0.00 0.00 33.50 33.00 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 -3.43 0.00 -3.84 0.54 7.27 -1.26 -4.96 117.38 111.71 2ror n GLN 21 Ca 0.09 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.04 2ror n GLN 21 Cb 0.34 -0.93 -0.12 0.00 2.41 0.00 0.00 30.24 31.94 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 -0.34 -0.10 0.43 1.69 2.15 -1.26 -5.01 116.67 114.23 2ror s ASP 22 Ca 0.57 0.17 0.38 0.00 0.43 0.00 0.00 52.55 54.11 2ror s ASP 22 Cb -0.81 0.24 1.36 0.00 -0.30 0.00 0.00 42.92 43.41 2ror s ASP 22 CO 0.41 -0.08 1.24 0.18 -0.17 0.00 0.00 175.17 176.75 2ror n LEU 23 N 2.81 0.02 -0.34 -1.34 4.77 -1.26 -0.19 117.00 121.48 2ror n LEU 23 Ca -0.14 0.83 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 2ror n LEU 23 Cb 0.59 -0.41 0.27 0.00 -2.33 0.00 0.00 43.42 41.53 2ror n LEU 23 CO 0.22 -0.84 0.76 -0.24 -1.33 0.00 0.00 177.39 175.96 2ror n SER 24 N -3.62 -0.14 -0.34 -1.43 2.88 -1.26 0.54 113.62 110.25 2ror n SER 24 Ca 0.35 1.66 0.19 0.00 -1.33 0.00 0.00 58.87 59.74 2ror n SER 24 Cb 1.57 -0.59 0.37 0.00 -0.75 0.00 0.00 64.21 64.80 2ror n SER 24 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2ror h VAL 25 N 0.00 0.01 -4.05 2.46 -1.51 -0.95 -3.40 116.25 108.81 2ror h VAL 25 Ca 0.58 -0.00 -0.54 0.00 -1.23 0.00 0.00 66.70 65.51 2ror h VAL 25 Cb 1.17 0.00 0.12 0.00 -2.13 0.00 0.00 31.29 30.45 2ror h VAL 25 CO -0.92 0.00 0.55 -1.00 -1.23 0.00 0.00 177.57 174.97 2ror s HIS 26 N -5.89 2.41 -0.95 5.19 4.02 0.19 -4.85 115.29 115.41 2ror s HIS 26 Ca -0.12 1.44 0.03 0.00 1.02 0.00 0.00 55.06 57.43 2ror s HIS 26 Cb 0.30 -3.65 0.15 0.00 -1.02 0.00 0.00 32.58 28.37 2ror s HIS 26 CO 0.78 -2.49 1.10 1.28 1.02 0.00 0.00 174.74 176.43 2ror n LEU 27 N -1.06 0.04 -3.97 0.89 4.77 -1.26 -4.41 117.00 112.00 2ror n LEU 27 Ca 0.11 0.52 -0.24 0.00 -0.03 0.00 0.00 56.01 56.36 2ror n LEU 27 Cb 0.47 -0.52 -0.17 0.00 -2.33 0.00 0.00 43.42 40.87 2ror n LEU 27 CO 0.50 -0.49 -0.45 -1.66 -1.33 0.00 0.00 177.39 173.96 2ror s TRP 28 N -3.03 1.29 0.01 -1.77 1.48 -1.26 -2.35 118.94 113.31 2ror s TRP 28 Ca 0.01 -0.49 -0.13 0.00 -1.06 0.00 0.00 56.10 54.42 2ror s TRP 28 Cb 0.02 -1.00 0.02 0.00 -1.16 0.00 0.00 33.47 31.34 2ror s TRP 28 CO 0.05 -0.30 0.27 -0.47 -4.06 0.00 0.00 176.95 172.44 2ror s TYR 29 N 0.95 -0.10 -0.26 1.66 5.04 -1.26 -4.66 117.35 118.72 2ror s TYR 29 Ca -0.10 0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 54.58 2ror s TYR 29 Cb -0.15 0.06 0.15 0.00 0.35 0.00 0.00 41.96 42.37 2ror s TYR 29 CO 0.00 -0.42 0.45 0.00 -1.34 0.00 0.00 175.55 174.25 2ror s ALA 30 N -1.83 -1.45 1.00 3.97 0.00 0.74 -4.58 121.76 119.62 2ror s ALA 30 Ca -0.10 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.11 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 0.01 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.94 2ror n GLY 31 N 5.39 -2.72 0.00 0.00 0.00 -1.26 -3.68 105.19 102.92 2ror n GLY 31 Ca -0.03 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.11 1.61 -0.04 -1.26 -3.63 135.00 131.06 2ror n PRO 32 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2ror n PRO 32 Cb 0.00 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.94 0.54 0.00 -1.26 -4.91 117.12 108.71 2ror n MET 33 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.49 2ror n MET 33 Cb 0.04 -0.95 0.11 0.00 0.00 0.00 0.00 33.22 32.42 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 -0.41 1.68 0.04 2.12 -1.05 -1.26 -4.81 118.70 115.02 2ror s GLU 34 Ca 0.59 -0.05 -0.10 0.00 -0.15 0.00 0.00 54.97 55.26 2ror s GLU 34 Cb -0.84 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 30.87 2ror s GLU 34 CO 0.43 -1.75 1.17 -0.09 0.95 0.00 0.00 175.26 175.98 2ror h ARG 35 N -1.15 -0.16 -1.02 -4.83 1.12 -2.00 -0.36 114.38 105.99 2ror h ARG 35 Ca -0.45 0.01 0.32 0.00 -1.11 0.00 0.00 59.98 58.74 2ror h ARG 35 Cb 1.31 0.04 -0.14 0.00 -0.01 0.00 0.00 29.97 31.16 2ror h ARG 35 CO 0.59 -0.11 0.59 0.00 -3.11 0.00 0.00 179.97 177.93 2ror h ALA 36 N -1.02 1.98 -0.63 2.80 0.00 -2.01 0.53 119.26 120.92 2ror h ALA 36 Ca 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ror h ALA 36 Cb 0.20 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2ror h ALA 36 CO -0.15 -0.57 0.27 0.78 0.00 0.00 0.00 179.25 179.57 2ror h GLY 37 N 0.35 0.97 0.55 0.00 0.00 -1.47 -2.96 103.07 100.50 2ror h GLY 37 Ca 0.72 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2ror h GLY 37 CO -0.57 0.46 -0.26 0.00 0.00 0.00 0.00 176.54 176.17 2ror h ALA 38 N 1.40 -0.85 -0.92 3.60 0.00 0.14 -3.26 119.26 119.37 2ror h ALA 38 Ca 0.22 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2ror h ALA 38 Cb 0.15 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 2ror h ALA 38 CO -0.02 -0.80 -0.29 0.39 0.00 0.00 0.00 179.25 178.53 2ror n GLU 39 N -4.76 -0.15 -0.29 0.00 1.02 -0.94 0.15 120.64 115.68 2ror n GLU 39 Ca -0.09 1.42 -0.02 0.00 -0.02 0.00 0.00 57.16 58.45 2ror n GLU 39 Cb 0.29 -2.12 0.04 0.00 -0.02 0.00 0.00 31.44 29.63 2ror n GLU 39 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 2ror h SER 40 N 0.00 -1.21 0.00 1.62 0.02 -1.56 0.42 113.55 112.84 2ror h SER 40 Ca 0.38 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 2ror h SER 40 Cb 0.61 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2ror h SER 40 CO -0.93 -0.29 0.00 -0.38 -1.14 0.00 0.00 176.83 174.09 2ror n ILE 41 N -5.47 0.00 0.08 3.27 5.41 0.12 -0.91 119.36 121.86 2ror n ILE 41 Ca 0.08 1.46 0.20 0.00 1.00 0.00 0.00 62.75 65.49 2ror n ILE 41 Cb 0.38 -2.27 0.66 0.00 -0.71 0.00 0.00 39.64 37.70 2ror n ILE 41 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2ror h LEU 42 N 0.00 0.00 0.49 1.39 -0.00 -1.30 -0.61 115.31 115.28 2ror h LEU 42 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2ror h LEU 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2ror h LEU 42 CO 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 178.44 178.20 2ror h ALA 43 N 1.20 -0.67 -0.84 1.53 0.00 0.99 -3.31 119.26 118.16 2ror h ALA 43 Ca 0.21 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2ror h ALA 43 Cb 1.44 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2ror h ALA 43 CO -0.00 -0.63 0.55 -0.91 0.00 0.00 0.00 179.25 178.26 2ror h ASN 44 N -1.15 0.94 -2.94 0.00 2.35 0.11 -3.43 115.58 111.45 2ror h ASN 44 Ca -0.07 -0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.33 2ror h ASN 44 Cb 0.51 -0.23 0.17 0.00 0.05 0.00 0.00 38.32 38.83 2ror h ASN 44 CO 0.11 0.67 0.01 0.54 -1.65 0.00 0.00 177.43 177.11 2ror n ARG 45 N -4.52 -3.42 -1.15 0.81 3.00 -0.35 -4.99 116.66 106.04 2ror n ARG 45 Ca 0.09 -1.41 -0.31 0.00 -0.01 0.00 0.00 57.85 56.22 2ror n ARG 45 Cb 0.04 -1.48 0.12 0.00 0.00 0.00 0.00 32.46 31.14 2ror n ARG 45 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ror s SER 46 N -3.65 3.97 -0.06 0.55 0.01 -1.26 -4.93 113.70 108.32 2ror s SER 46 Ca 0.60 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 59.36 2ror s SER 46 Cb -0.07 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2ror s SER 46 CO 0.47 -2.37 1.57 1.51 0.41 0.00 0.00 173.24 174.83 2ror s ASP 47 N -3.27 6.73 0.00 2.44 -4.77 -1.26 -2.78 116.67 113.75 2ror s ASP 47 Ca 0.63 2.15 0.00 0.00 -3.30 0.00 0.00 52.55 52.02 2ror s ASP 47 Cb -0.18 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 2ror s ASP 47 CO 0.57 -0.88 0.00 0.61 0.70 0.00 0.00 175.17 176.17 2ror n GLY 48 N 4.00 1.11 3.73 2.12 0.00 -0.58 -4.92 105.19 110.65 2ror n GLY 48 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 2.73 0.23 2.61 2.01 -1.12 -2.34 115.64 117.76 2ror s THR 49 Ca 0.00 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 2ror s THR 49 Cb 0.00 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.87 2ror s THR 49 CO 0.00 -0.27 0.55 0.72 -0.69 0.00 0.00 174.62 174.93 2ror s PHE 50 N -2.53 0.02 0.29 4.92 -0.71 0.22 -1.68 117.98 118.50 2ror s PHE 50 Ca 0.67 -0.39 -0.19 0.00 -1.04 0.00 0.00 56.93 55.97 2ror s PHE 50 Cb -0.22 0.39 0.06 0.00 -1.21 0.00 0.00 43.02 42.04 2ror s PHE 50 CO 0.52 -1.01 0.88 -0.48 -1.34 0.00 0.00 175.22 173.79 2ror s LEU 51 N -2.93 -0.04 -0.17 -1.99 0.05 -0.98 -1.29 118.68 111.33 2ror s LEU 51 Ca 0.14 -0.87 0.01 0.00 0.05 0.00 0.00 54.13 53.45 2ror s LEU 51 Cb -0.02 2.53 0.03 0.00 -2.05 0.00 0.00 46.19 46.68 2ror s LEU 51 CO 0.03 -1.36 -0.14 -0.69 -0.55 0.00 0.00 176.35 173.64 2ror s VAL 52 N -2.53 1.68 0.21 1.48 1.01 -1.26 -3.11 120.40 117.88 2ror s VAL 52 Ca 0.17 -0.79 0.11 0.00 0.00 0.00 0.00 61.98 61.47 2ror s VAL 52 Cb -0.04 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2ror s VAL 52 CO 0.08 0.40 -0.22 0.00 0.00 0.00 0.00 175.10 175.37 2ror s ARG 53 N 1.43 1.49 0.25 2.72 1.70 -0.68 -0.18 118.95 125.68 2ror s ARG 53 Ca 0.03 -1.55 0.06 0.00 -0.47 0.00 0.00 55.73 53.80 2ror s ARG 53 Cb -0.14 -1.69 -0.03 0.00 -0.57 0.00 0.00 34.95 32.52 2ror s ARG 53 CO -0.10 0.35 0.30 -1.14 -1.08 0.00 0.00 175.30 173.62 2ror s GLN 54 N -2.91 3.20 0.63 3.89 0.74 -1.24 0.94 119.66 124.92 2ror s GLN 54 Ca 0.22 -0.90 0.02 0.00 0.05 0.00 0.00 55.36 54.74 2ror s GLN 54 Cb -0.07 -2.74 0.09 0.00 1.10 0.00 0.00 33.01 31.39 2ror s GLN 54 CO 0.10 0.39 0.88 1.03 -0.55 0.00 0.00 175.29 177.15 2ror s ARG 55 N -3.93 2.09 -0.12 1.67 0.52 -1.26 -4.76 118.95 113.16 2ror s ARG 55 Ca 0.34 -1.08 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2ror s ARG 55 Cb -0.08 -2.44 -0.10 0.00 0.52 0.00 0.00 34.95 32.85 2ror s ARG 55 CO 0.27 -1.09 -0.06 1.33 0.02 0.00 0.00 175.30 175.77 2ror n VAL 56 N -2.56 0.73 -0.33 3.52 0.24 -1.26 -4.58 118.33 114.08 2ror n VAL 56 Ca 0.13 -0.33 0.17 0.00 -2.04 0.00 0.00 64.34 62.26 2ror n VAL 56 Cb 0.60 -0.88 0.40 0.00 -1.47 0.00 0.00 33.84 32.50 2ror n VAL 56 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2ror h LYS 57 N 0.00 0.58 -3.08 7.34 5.09 -2.03 -3.40 116.57 121.07 2ror h LYS 57 Ca -0.28 -0.03 -0.21 0.00 0.09 0.00 0.00 60.65 60.21 2ror h LYS 57 Cb 1.51 -0.13 -0.30 0.00 0.10 0.00 0.00 32.23 33.41 2ror h LYS 57 CO -0.02 0.38 -0.51 0.34 -2.09 0.00 0.00 179.45 177.55 2ror s ASP 58 N -5.35 -0.23 0.13 7.07 2.15 -1.26 -5.06 116.67 114.12 2ror s ASP 58 Ca -0.10 0.47 -0.28 0.00 0.43 0.00 0.00 52.55 53.06 2ror s ASP 58 Cb 0.25 0.36 -0.05 0.00 -0.30 0.00 0.00 42.92 43.17 2ror s ASP 58 CO 0.80 -0.16 1.59 0.00 -0.17 0.00 0.00 175.17 177.23 2ror h ALA 59 N 7.20 -0.55 -0.28 3.66 0.00 -1.83 -3.24 119.26 124.22 2ror h ALA 59 Ca -0.41 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.01 2ror h ALA 59 Cb 1.15 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 2ror h ALA 59 CO 0.39 -0.89 1.59 0.00 0.00 0.00 0.00 179.25 180.33 2ror n ALA 60 N -2.87 2.43 -3.32 0.00 0.00 -1.26 -4.76 120.51 110.73 2ror n ALA 60 Ca -0.05 -3.15 -0.10 0.00 0.00 0.00 0.00 53.44 50.15 2ror n ALA 60 Cb 0.35 -3.55 -0.04 0.00 0.00 0.00 0.00 19.45 16.22 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 5.84 1.39 0.20 0.00 0.41 -1.22 -4.65 118.70 120.67 2ror s GLU 61 Ca 0.64 -0.86 -0.23 0.00 -0.41 0.00 0.00 54.97 54.10 2ror s GLU 61 Cb 0.06 0.52 0.05 0.00 -1.78 0.00 0.00 34.13 32.98 2ror s GLU 61 CO 0.13 -0.59 0.72 -0.06 -0.49 0.00 0.00 175.26 174.97 2ror s PHE 62 N -3.87 -0.32 0.18 1.61 0.08 -1.25 -4.08 117.98 110.33 2ror s PHE 62 Ca 0.09 -0.00 -0.14 0.00 0.12 0.00 0.00 56.93 57.00 2ror s PHE 62 Cb -0.01 0.63 0.01 0.00 -0.57 0.00 0.00 43.02 43.09 2ror s PHE 62 CO -0.03 -0.99 0.44 0.00 -0.10 0.00 0.00 175.22 174.55 2ror s ALA 63 N -3.71 -0.60 -0.13 5.36 0.00 0.27 0.40 121.76 123.35 2ror s ALA 63 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 2ror s ALA 63 Cb -0.03 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.98 2ror s ALA 63 CO -0.02 -0.75 0.01 0.42 0.00 0.00 0.00 175.76 175.42 2ror s ILE 64 N -3.91 0.51 -0.14 0.00 1.01 0.11 -1.68 121.20 117.11 2ror s ILE 64 Ca 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2ror s ILE 64 Cb 0.00 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 2ror s ILE 64 CO -0.02 0.05 -0.08 -0.44 0.00 0.00 0.00 174.94 174.45 2ror s SER 65 N 1.89 4.44 0.02 3.58 0.01 -1.18 -0.10 113.70 122.35 2ror s SER 65 Ca 0.02 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2ror s SER 65 Cb -0.15 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 2ror s SER 65 CO -0.07 0.19 -0.05 -0.51 0.41 0.00 0.00 173.24 173.21 2ror s ILE 66 N 0.24 0.36 -0.16 1.44 -1.16 0.40 -2.32 121.20 120.00 2ror s ILE 66 Ca -0.05 -0.57 -0.20 0.00 -0.51 0.00 0.00 60.65 59.32 2ror s ILE 66 Cb -0.15 -0.38 -0.03 0.00 0.61 0.00 0.00 42.46 42.51 2ror s ILE 66 CO 0.04 -0.15 0.55 -0.75 -2.81 0.00 0.00 174.94 171.83 2ror s LYS 67 N -0.78 4.27 -0.29 3.50 2.47 -0.67 -0.12 119.74 128.12 2ror s LYS 67 Ca -0.05 0.53 -0.24 0.00 -1.56 0.00 0.00 55.97 54.65 2ror s LYS 67 Cb -0.05 -3.51 0.15 0.00 -1.46 0.00 0.00 37.83 32.95 2ror s LYS 67 CO -0.00 -0.05 1.17 -0.47 0.16 0.00 0.00 175.35 176.17 2ror s TYR 68 N 1.28 -0.33 -0.62 4.03 5.04 -0.15 -1.53 117.35 125.07 2ror s TYR 68 Ca 0.27 0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 2ror s TYR 68 Cb -0.16 0.39 -0.01 0.00 0.35 0.00 0.00 41.96 42.54 2ror s TYR 68 CO 0.11 -0.16 0.52 -1.71 -1.34 0.00 0.00 175.55 172.97 2ror n ASN 69 N 2.11 -2.70 -1.91 4.32 4.05 -1.26 -2.89 115.26 116.98 2ror n ASN 69 Ca -0.12 -0.34 -0.05 0.00 0.45 0.00 0.00 54.58 54.51 2ror n ASN 69 Cb 0.56 -2.99 -0.01 0.00 1.23 0.00 0.00 39.78 38.57 2ror n ASN 69 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2ror n VAL 70 N -2.60 -0.15 -3.61 3.44 0.24 -1.26 -4.84 118.33 109.54 2ror n VAL 70 Ca -0.12 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.03 2ror n VAL 70 Cb 0.58 -0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 32.22 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 -3.92 0.86 -0.26 7.34 2.02 -1.14 -5.14 118.70 118.46 2ror s GLU 71 Ca 0.00 0.63 -0.16 0.00 0.02 0.00 0.00 54.97 55.46 2ror s GLU 71 Cb 0.00 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.61 2ror s GLU 71 CO 0.00 -0.18 0.45 0.08 0.02 0.00 0.00 175.26 175.63 2ror s VAL 72 N -0.26 5.13 0.20 2.63 1.01 -1.26 -0.98 120.40 126.86 2ror s VAL 72 Ca -0.04 0.74 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 2ror s VAL 72 Cb -0.03 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2ror s VAL 72 CO 0.04 0.13 0.42 -0.54 0.00 0.00 0.00 175.10 175.15 2ror s LYS 73 N 2.09 3.58 0.05 2.72 -0.14 0.82 -4.90 119.74 123.96 2ror s LYS 73 Ca 0.19 -0.18 0.04 0.00 -1.36 0.00 0.00 55.97 54.65 2ror s LYS 73 Cb -0.16 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 2ror s LYS 73 CO 0.09 0.39 -0.12 -1.01 -0.76 0.00 0.00 175.35 173.94 2ror s HIS 74 N -1.84 1.05 -0.02 3.18 3.76 -1.26 -0.45 115.29 119.71 2ror s HIS 74 Ca 0.40 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 2ror s HIS 74 Cb -0.11 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 32.96 2ror s HIS 74 CO 0.28 0.01 -0.09 0.42 -0.85 0.00 0.00 174.74 174.51 2ror s ILE 75 N -1.07 0.81 0.29 0.60 1.01 0.85 -4.94 121.20 118.75 2ror s ILE 75 Ca -0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2ror s ILE 75 Cb -0.09 -0.71 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 2ror s ILE 75 CO 0.01 0.25 0.62 -0.75 0.00 0.00 0.00 174.94 175.07 2ror s LYS 76 N 0.12 3.80 0.05 2.79 2.20 -1.26 0.09 119.74 127.53 2ror s LYS 76 Ca -0.02 0.32 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 2ror s LYS 76 Cb -0.08 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 2ror s LYS 76 CO 0.00 0.21 -0.19 0.42 -0.36 0.00 0.00 175.35 175.43 2ror s ILE 77 N -1.99 1.56 0.29 5.43 1.01 0.16 -4.74 121.20 122.92 2ror s ILE 77 Ca 0.48 -1.21 0.10 0.00 0.00 0.00 0.00 60.65 60.02 2ror s ILE 77 Cb -0.11 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2ror s ILE 77 CO 0.24 0.12 -0.15 -0.04 0.00 0.00 0.00 174.94 175.12 2ror s MET 78 N -1.28 1.65 -0.27 2.79 -1.94 -1.24 -3.78 119.30 115.22 2ror s MET 78 Ca 0.06 -1.79 -0.05 0.00 -1.71 0.00 0.00 55.69 52.20 2ror s MET 78 Cb -0.09 -1.58 0.14 0.00 2.01 0.00 0.00 34.83 35.31 2ror s MET 78 CO 0.02 0.22 0.55 0.95 -0.01 0.00 0.00 175.02 176.75 2ror s THR 79 N -2.67 -0.87 -0.04 2.05 -4.23 -1.26 -3.64 115.64 104.99 2ror s THR 79 Ca 0.29 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 2ror s THR 79 Cb -0.01 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 72.90 2ror s THR 79 CO 0.14 -0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 174.13 2ror n ALA 80 N 5.42 0.86 -2.16 3.99 0.00 -1.26 -4.78 120.51 122.58 2ror n ALA 80 Ca -0.07 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.72 2ror n ALA 80 Cb 0.50 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -3.05 3.15 -2.25 0.00 1.02 -1.26 -4.84 120.64 113.41 2ror n GLU 81 Ca -0.03 -4.04 -0.09 0.00 -0.02 0.00 0.00 57.16 52.98 2ror n GLU 81 Cb 0.13 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 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 -0.55 0.05 3.15 0.62 0.00 -1.26 -5.03 105.19 102.17 2ror n GLY 82 Ca 0.46 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.60 1.92 -0.22 0.99 1.43 -1.26 -4.70 118.68 114.23 2ror s LEU 83 Ca 0.03 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2ror s LEU 83 Cb -0.01 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2ror s LEU 83 CO 0.03 0.15 0.10 -0.31 0.23 0.00 0.00 176.35 176.55 2ror s TYR 84 N 0.20 3.23 -0.27 0.29 1.51 -1.21 -4.00 117.35 117.10 2ror s TYR 84 Ca -0.09 0.02 -0.25 0.00 -1.01 0.00 0.00 57.07 55.74 2ror s TYR 84 Cb -0.14 -2.20 0.08 0.00 -0.11 0.00 0.00 41.96 39.60 2ror s TYR 84 CO 0.04 -0.00 0.80 -0.98 -1.11 0.00 0.00 175.55 174.29 2ror s ARG 85 N 0.95 0.76 0.02 -0.62 1.70 -1.24 -1.74 118.95 118.78 2ror s ARG 85 Ca 0.05 0.87 0.22 0.00 -0.47 0.00 0.00 55.73 56.41 2ror s ARG 85 Cb -0.14 0.37 -0.20 0.00 -0.57 0.00 0.00 34.95 34.42 2ror s ARG 85 CO 0.03 -0.10 0.74 0.44 -1.08 0.00 0.00 175.30 175.34 2ror n ILE 86 N 2.50 0.10 -4.07 4.99 -5.35 -1.26 -3.66 119.36 112.62 2ror n ILE 86 Ca -0.14 -0.35 -0.08 0.00 -0.27 0.00 0.00 62.75 61.91 2ror n ILE 86 Cb 0.55 0.21 -0.10 0.00 -1.74 0.00 0.00 39.64 38.56 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2ror s THR 87 N -3.33 0.19 0.20 7.28 -4.23 -1.26 -5.03 115.64 109.45 2ror s THR 87 Ca -0.02 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2ror s THR 87 Cb 0.14 -1.60 -0.08 0.00 1.34 0.00 0.00 72.50 72.30 2ror s THR 87 CO 0.87 -0.85 1.48 1.05 -0.54 0.00 0.00 174.62 176.63 2ror h GLU 88 N 3.04 0.37 0.05 3.99 4.11 -2.04 -3.27 114.58 120.82 2ror h GLU 88 Ca -0.34 -0.28 -0.00 0.00 0.07 0.00 0.00 59.36 58.81 2ror h GLU 88 Cb 1.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ror h GLU 88 CO 0.63 0.91 -0.02 0.87 0.07 0.00 0.00 179.01 181.47 2ror h LYS 89 N 0.26 -0.06 -5.86 1.06 1.57 -2.03 -3.43 116.57 108.08 2ror h LYS 89 Ca -0.02 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.13 2ror h LYS 89 Cb 1.22 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 2ror h LYS 89 CO 0.11 0.15 -0.50 0.21 -0.57 0.00 0.00 179.45 178.85 2ror s LYS 90 N -5.37 3.42 0.15 3.15 2.47 -1.23 -5.11 119.74 117.21 2ror s LYS 90 Ca -0.14 -0.38 -0.14 0.00 -1.56 0.00 0.00 55.97 53.75 2ror s LYS 90 Cb 0.04 -3.06 0.02 0.00 -1.46 0.00 0.00 37.83 33.37 2ror s LYS 90 CO 0.66 0.65 0.38 0.00 0.16 0.00 0.00 175.35 177.19 2ror s ALA 91 N -1.40 -0.64 0.22 3.13 0.00 -1.26 -4.09 121.76 117.72 2ror s ALA 91 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 2ror s ALA 91 Cb -0.13 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2ror s ALA 91 CO 0.22 -0.67 0.22 -0.06 0.00 0.00 0.00 175.76 175.47 2ror s PHE 92 N -3.86 1.03 -0.19 0.00 0.40 -0.71 -5.01 117.98 109.63 2ror s PHE 92 Ca 0.08 -1.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.04 2ror s PHE 92 Cb 0.02 -0.40 -0.21 0.00 0.51 0.00 0.00 43.02 42.93 2ror s PHE 92 CO -0.07 -0.74 0.14 0.54 0.70 0.00 0.00 175.22 175.80 2ror n ARG 93 N -0.32 0.67 -4.02 0.44 5.12 -1.26 -3.30 116.66 113.98 2ror n ARG 93 Ca 0.02 0.34 -0.10 0.00 -1.93 0.00 0.00 57.85 56.18 2ror n ARG 93 Cb 0.65 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 30.17 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2ror s GLY 94 N -5.51 0.35 0.21 -0.13 0.00 -1.26 -4.24 107.32 96.74 2ror s GLY 94 Ca -0.28 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 2ror s GLY 94 CO 0.66 -0.81 1.64 -2.00 0.00 0.00 0.00 173.10 172.58 2ror h LEU 95 N 4.34 -0.47 -0.85 0.66 5.85 -1.94 -1.44 115.31 121.47 2ror h LEU 95 Ca -0.33 0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.68 2ror h LEU 95 Cb 1.20 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 42.44 2ror h LEU 95 CO 0.45 -0.18 -0.44 0.74 -0.34 0.00 0.00 178.44 178.67 2ror h THR 96 N 0.04 0.04 -0.06 1.05 2.02 -1.99 0.35 112.91 114.35 2ror h THR 96 Ca 0.31 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.49 2ror h THR 96 Cb 0.49 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2ror h THR 96 CO -0.61 0.00 0.04 -0.33 0.37 0.00 0.00 175.52 174.99 2ror h GLU 97 N -0.08 0.08 -1.20 6.66 3.07 -1.69 0.33 114.58 121.76 2ror h GLU 97 Ca 0.25 -0.01 0.35 0.00 -0.50 0.00 0.00 59.36 59.45 2ror h GLU 97 Cb 0.54 -0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.34 2ror h GLU 97 CO -0.87 0.12 0.79 1.25 -1.40 0.00 0.00 179.01 178.89 2ror h LEU 98 N 0.03 0.29 0.12 1.33 6.46 -0.21 0.85 115.31 124.18 2ror h LEU 98 Ca 0.02 0.09 -0.36 0.00 -0.12 0.00 0.00 57.88 57.51 2ror h LEU 98 Cb 0.05 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2ror h LEU 98 CO -0.00 -0.03 -1.98 0.52 -0.62 0.00 0.00 178.44 176.32 2ror n VAL 99 N -4.57 1.77 0.93 1.05 0.31 -0.43 -3.31 118.33 114.09 2ror n VAL 99 Ca 0.31 -0.67 0.09 0.00 -0.01 0.00 0.00 64.34 64.06 2ror n VAL 99 Cb 1.18 -1.69 0.49 0.00 -0.91 0.00 0.00 33.84 32.91 2ror n VAL 99 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ror n GLU 100 N -3.45 0.30 -0.13 5.55 -0.58 0.11 -3.23 120.64 119.21 2ror n GLU 100 Ca -0.31 0.10 -0.27 0.00 -0.42 0.00 0.00 57.16 56.26 2ror n GLU 100 Cb 1.05 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.31 2ror n GLU 100 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2ror n PHE 101 N -1.26 0.17 -0.14 -0.32 7.35 0.27 -4.38 117.46 119.15 2ror n PHE 101 Ca 0.10 0.06 0.20 0.00 -0.76 0.00 0.00 57.45 57.05 2ror n PHE 101 Cb 0.15 -1.02 0.60 0.00 0.35 0.00 0.00 39.48 39.56 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 -0.78 0.26 0.00 -5.13 0.05 -1.54 0.39 116.97 110.22 2ror h TYR 102 Ca -0.63 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.16 2ror h TYR 102 Cb 1.65 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 39.31 2ror h TYR 102 CO -0.04 0.08 0.00 1.04 -1.05 0.00 0.00 178.16 178.20 2ror n GLN 103 N -4.41 0.04 -0.00 4.88 6.02 -1.21 -0.87 117.38 121.83 2ror n GLN 103 Ca 0.15 0.52 0.04 0.00 -0.01 0.00 0.00 57.00 57.70 2ror n GLN 103 Cb 0.68 -1.63 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 2ror n GLN 103 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ror n GLN 104 N -1.71 2.35 -3.84 -1.09 3.00 0.13 -4.89 117.38 111.33 2ror n GLN 104 Ca -0.00 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.66 2ror n GLN 104 Cb 0.02 -1.03 -0.16 0.00 0.00 0.00 0.00 30.24 29.08 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 -2.32 3.44 0.08 1.08 2.20 -0.04 -5.10 114.94 114.28 2ror s ASN 105 Ca -0.00 -1.04 -0.37 0.00 -0.94 0.00 0.00 52.86 50.51 2ror s ASN 105 Cb 0.05 -0.91 -0.18 0.00 -2.00 0.00 0.00 41.25 38.22 2ror s ASN 105 CO 0.32 -0.27 1.20 -0.24 -2.94 0.00 0.00 177.10 175.16 2ror n SER 106 N 4.84 0.98 0.32 3.54 2.88 -1.26 -4.61 113.62 120.31 2ror n SER 106 Ca -0.10 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.74 2ror n SER 106 Cb 0.45 -1.10 0.87 0.00 -0.75 0.00 0.00 64.21 63.68 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ror h LEU 107 N 3.74 0.00 -2.45 2.46 3.38 -1.77 -0.03 115.31 120.64 2ror h LEU 107 Ca -0.47 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.52 2ror h LEU 107 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2ror h LEU 107 CO 0.72 0.00 0.14 0.07 0.09 0.00 0.00 178.44 179.45 2ror h LYS 108 N 0.00 0.00 -0.75 1.13 2.10 -1.38 -1.62 116.57 116.05 2ror h LYS 108 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.75 2ror h LYS 108 Cb 0.49 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.74 2ror h LYS 108 CO 0.00 0.00 0.38 0.22 -2.00 0.00 0.00 179.45 178.05 2ror h ASP 109 N 0.00 0.49 0.00 7.07 3.58 -1.28 -3.32 116.42 122.97 2ror h ASP 109 Ca 0.03 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2ror h ASP 109 Cb 0.30 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2ror h ASP 109 CO -0.00 0.27 -1.01 0.00 -2.88 0.00 0.00 179.24 175.62 2ror s PHE 111 N -2.64 3.54 -0.27 0.00 0.08 -0.69 -5.03 117.98 112.95 2ror s PHE 111 Ca -0.26 0.79 -0.09 0.00 0.12 0.00 0.00 56.93 57.49 2ror s PHE 111 Cb 0.05 -2.33 -0.13 0.00 -0.57 0.00 0.00 43.02 40.03 2ror s PHE 111 CO 0.38 -0.32 -0.32 1.17 -0.10 0.00 0.00 175.22 176.03 2ror n LYS 112 N -2.28 0.61 -0.10 0.44 3.00 -1.26 -3.99 118.16 114.58 2ror n LYS 112 Ca 0.01 0.23 -0.07 0.00 -0.00 0.00 0.00 58.31 58.48 2ror n LYS 112 Cb 0.55 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 34.10 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 -0.70 0.11 -2.34 3.14 0.02 -1.96 -3.36 113.55 108.47 2ror h SER 113 Ca -0.67 0.04 -0.54 0.00 -0.84 0.00 0.00 61.79 59.78 2ror h SER 113 Cb 1.70 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 64.19 2ror h SER 113 CO -0.33 0.10 1.07 -0.76 -1.14 0.00 0.00 176.83 175.78 2ror s LEU 114 N -10.31 3.17 -0.45 5.07 1.43 -1.26 -4.84 118.68 111.48 2ror s LEU 114 Ca -0.13 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2ror s LEU 114 Cb 0.12 -2.56 0.62 0.00 0.03 0.00 0.00 46.19 44.40 2ror s LEU 114 CO 0.71 -1.85 1.86 -0.67 0.23 0.00 0.00 176.35 176.62 2ror n ASP 115 N 9.47 4.00 -3.86 2.29 2.03 -1.26 -1.44 116.55 127.79 2ror n ASP 115 Ca 0.04 -3.66 -0.10 0.00 0.52 0.00 0.00 54.79 51.59 2ror n ASP 115 Cb 0.49 -0.82 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ror s THR 116 N -3.48 0.12 0.35 5.18 -1.32 -1.26 -4.79 115.64 110.43 2ror s THR 116 Ca 0.56 -0.95 0.08 0.00 -1.21 0.00 0.00 61.69 60.17 2ror s THR 116 Cb 0.47 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 2ror s THR 116 CO 0.08 -0.52 0.16 0.28 -2.21 0.00 0.00 174.62 172.40 2ror s THR 117 N -2.66 2.94 -0.39 5.08 -1.32 -1.26 -3.05 115.64 114.98 2ror s THR 117 Ca -0.04 -1.68 -0.39 0.00 -1.21 0.00 0.00 61.69 58.38 2ror s THR 117 Cb -0.01 -2.98 -0.14 0.00 -1.51 0.00 0.00 72.50 67.86 2ror s THR 117 CO -0.04 -0.16 2.11 0.18 -2.21 0.00 0.00 174.62 174.50 2ror n LEU 118 N -1.18 1.75 -0.10 9.08 4.77 -1.26 -4.83 117.00 125.23 2ror n LEU 118 Ca -0.03 0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 56.34 2ror n LEU 118 Cb 0.62 -1.14 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2ror n LEU 118 CO 0.43 -0.70 -0.62 0.00 -1.33 0.00 0.00 177.39 175.17 2ror n GLN 119 N 7.58 0.55 -3.82 3.23 6.02 -0.99 -4.60 117.38 125.36 2ror n GLN 119 Ca 0.43 0.52 -0.13 0.00 -0.01 0.00 0.00 57.00 57.82 2ror n GLN 119 Cb 0.13 -1.70 -0.14 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 -2.37 -0.08 0.00 1.08 0.08 -1.05 -4.84 117.98 110.79 2ror s PHE 120 Ca -0.28 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.02 2ror s PHE 120 Cb 0.06 -0.03 0.00 0.00 -0.57 0.00 0.00 43.02 42.48 2ror s PHE 120 CO 0.52 -0.07 0.00 -0.35 -0.10 0.00 0.00 175.22 175.22 2ror n PRO 121 N 3.42 -0.39 0.04 0.24 -0.04 -1.26 0.69 135.00 137.70 2ror n PRO 121 Ca -0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 2ror n PRO 121 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.20 0.69 0.00 0.54 3.04 -1.34 -3.36 116.94 115.31 2ror h PHE 122 Ca 0.00 -0.32 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2ror h PHE 122 Cb 0.00 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.41 2ror h PHE 122 CO 0.00 1.10 -0.30 1.63 -2.02 0.00 0.00 178.31 178.72 2ror n LYS 123 N -3.85 0.24 -3.61 1.11 5.02 -0.99 -5.03 118.16 111.05 2ror n LYS 123 Ca -0.06 0.35 -0.05 0.00 -2.02 0.00 0.00 58.31 56.53 2ror n LYS 123 Cb 0.74 -1.19 -0.04 0.00 -0.02 0.00 0.00 35.03 34.52 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 -1.69 0.27 0.48 1.97 -1.05 -1.26 -5.13 118.70 112.29 2ror s GLU 124 Ca -0.09 0.02 -0.08 0.00 -0.15 0.00 0.00 54.97 54.68 2ror s GLU 124 Cb 0.01 0.13 0.12 0.00 -0.44 0.00 0.00 34.13 33.95 2ror s GLU 124 CO 0.13 -0.09 0.42 -0.35 0.95 0.00 0.00 175.26 176.32 2ror n PRO 125 N 0.44 -1.85 -3.66 -4.83 -0.04 -1.26 -4.50 135.00 119.30 2ror n PRO 125 Ca -0.03 -0.68 -0.07 0.00 -0.04 0.00 0.00 63.50 62.68 2ror n PRO 125 Cb 0.58 -0.63 -0.09 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.96 0.41 0.51 0.54 2.56 -1.26 -5.02 118.70 112.49 2ror s GLU 126 Ca 0.27 1.08 -0.02 0.00 0.00 0.00 0.00 54.97 56.30 2ror s GLU 126 Cb -0.03 0.34 0.00 0.00 2.00 0.00 0.00 34.13 36.45 2ror s GLU 126 CO 0.21 -0.22 0.77 -1.59 -0.56 0.00 0.00 175.26 173.88 2ror s LYS 127 N 2.35 2.98 -1.40 4.30 -2.85 -1.26 -4.35 119.74 119.52 2ror s LYS 127 Ca -0.05 -0.30 -0.08 0.00 -1.00 0.00 0.00 55.97 54.54 2ror s LYS 127 Cb -0.11 -2.44 0.03 0.00 -2.06 0.00 0.00 37.83 33.26 2ror s LYS 127 CO -0.14 -0.47 1.03 0.54 0.10 0.00 0.00 175.35 176.40 2ror n ARG 128 N -2.30 -6.53 -3.79 1.78 1.74 -1.26 -4.99 116.66 101.31 2ror n ARG 128 Ca 0.03 0.72 -0.23 0.00 -0.77 0.00 0.00 57.85 57.60 2ror n ARG 128 Cb 0.58 -5.65 -0.17 0.00 -1.02 0.00 0.00 32.46 26.19 2ror n ARG 128 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2ror s THR 129 N -3.37 0.45 -0.21 0.55 -4.23 -1.26 -5.12 115.64 102.46 2ror s THR 129 Ca 0.46 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 2ror s THR 129 Cb -0.22 -0.60 0.09 0.00 1.34 0.00 0.00 72.50 73.11 2ror s THR 129 CO 0.78 0.26 0.47 -0.51 -0.54 0.00 0.00 174.62 175.08 2ror s ILE 130 N 1.94 -0.50 -0.14 2.99 2.07 -1.26 -5.11 121.20 121.19 2ror s ILE 130 Ca 0.05 0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.42 2ror s ILE 130 Cb -0.12 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.74 2ror s ILE 130 CO -0.06 0.05 -0.19 -0.94 -1.91 0.00 0.00 174.94 171.89 2ror s SER 131 N 2.30 3.36 0.05 4.50 1.04 -1.26 -5.12 113.70 118.57 2ror s SER 131 Ca -0.05 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 55.90 2ror s SER 131 Cb -0.11 -1.50 -0.02 0.00 0.10 0.00 0.00 66.02 64.50 2ror s SER 131 CO -0.14 0.09 -0.14 0.00 0.98 0.00 0.00 173.24 174.03 2ror s ARG 132 N 0.76 0.90 0.39 4.02 3.03 -1.26 -4.97 118.95 121.82 2ror s ARG 132 Ca -0.08 -0.80 -0.13 0.00 2.03 0.00 0.00 55.73 56.76 2ror s ARG 132 Cb -0.16 -0.91 0.05 0.00 -1.03 0.00 0.00 34.95 32.90 2ror s ARG 132 CO 0.00 0.22 0.74 -1.12 -1.13 0.00 0.00 175.30 174.01 2ror s SER 133 N -1.26 0.20 0.00 -2.89 0.01 -1.26 -5.09 113.70 103.40 2ror s SER 133 Ca 0.01 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2ror s SER 133 Cb -0.08 0.83 0.00 0.00 0.21 0.00 0.00 66.02 66.98 2ror s SER 133 CO 0.01 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.62 2ror n GLY 134 N -0.55 0.75 0.08 3.44 0.00 -1.26 -5.06 105.19 102.60 2ror n GLY 134 Ca -0.07 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2ror n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ror h PRO 135 N 0.00 0.11 -1.48 1.61 0.13 -1.98 -3.46 132.00 126.92 2ror h PRO 135 Ca 0.00 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 65.19 2ror h PRO 135 Cb 0.00 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 30.88 2ror h PRO 135 CO 0.00 0.56 0.24 0.45 -0.23 0.00 0.00 178.00 179.03 2ror s SER 136 N -5.82 -0.64 -0.65 1.44 0.15 -1.26 -5.09 113.70 101.83 2ror s SER 136 Ca -0.15 0.97 -0.26 0.00 0.70 0.00 0.00 55.95 57.20 2ror s SER 136 Cb 0.03 1.47 -0.16 0.00 -1.71 0.00 0.00 66.02 65.64 2ror s SER 136 CO 0.70 -0.15 1.91 -0.24 1.20 0.00 0.00 173.24 176.66 2ror n SER 137 N 4.31 0.31 0.00 5.45 2.88 -1.26 -5.31 113.62 120.00 2ror n SER 137 Ca -0.15 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2ror n SER 137 Cb 0.55 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2ror n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42