#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ror n SER 2 N 0.00 6.46 -3.68 1.61 7.64 -1.26 -4.98 113.62 119.41 2ror n SER 2 Ca 0.00 -3.78 -0.08 0.00 1.01 0.00 0.00 58.87 56.02 2ror n SER 2 Cb 0.00 -0.72 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 2ror n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ror s SER 3 N -2.51 -0.08 0.00 6.43 0.15 -1.26 -5.18 113.70 111.26 2ror s SER 3 Ca 0.57 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2ror s SER 3 Cb 0.46 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 2ror s SER 3 CO -0.06 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 173.64 2ror n GLY 4 N -0.46 2.52 3.33 9.45 0.00 -1.26 -5.13 105.19 113.64 2ror n GLY 4 Ca -0.04 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 3.02 -0.05 1.61 0.15 -1.26 -5.13 113.70 112.04 2ror s SER 5 Ca 0.00 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.00 2ror s SER 5 Cb 0.00 -0.24 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2ror s SER 5 CO 0.00 0.20 0.04 -0.94 1.20 0.00 0.00 173.24 173.74 2ror s SER 6 N -1.53 1.19 0.00 5.45 1.04 -1.26 -5.12 113.70 113.47 2ror s SER 6 Ca 0.11 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2ror s SER 6 Cb -0.10 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2ror s SER 6 CO 0.03 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2ror n GLY 7 N 5.18 -1.61 3.37 7.32 0.00 -1.26 -5.15 105.19 113.04 2ror n GLY 7 Ca -0.06 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 2ror n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ror s LYS 8 N -1.47 2.26 0.30 1.61 -2.85 -1.26 -4.96 119.74 113.36 2ror s LYS 8 Ca 0.00 -0.85 -0.20 0.00 -1.00 0.00 0.00 55.97 53.92 2ror s LYS 8 Cb 0.00 -2.16 0.03 0.00 -2.06 0.00 0.00 37.83 33.63 2ror s LYS 8 CO 0.00 0.58 0.73 0.00 0.10 0.00 0.00 175.35 176.75 2ror s ALA 9 N -0.64 -1.11 -0.19 0.59 0.00 -1.26 -5.15 121.76 114.00 2ror s ALA 9 Ca 0.10 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2ror s ALA 9 Cb -0.10 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2ror s ALA 9 CO -0.00 -1.03 -0.14 -1.83 0.00 0.00 0.00 175.76 172.76 2ror s GLU 10 N -3.64 2.38 -0.21 0.00 -1.05 -1.26 -5.00 118.70 109.93 2ror s GLU 10 Ca 0.12 -0.86 -0.27 0.00 -0.15 0.00 0.00 54.97 53.81 2ror s GLU 10 Cb -0.06 -2.47 0.10 0.00 -0.44 0.00 0.00 34.13 31.27 2ror s GLU 10 CO 0.08 -0.35 0.91 0.00 0.95 0.00 0.00 175.26 176.84 2ror s ALA 11 N 1.34 -1.89 -0.27 -0.84 0.00 -1.26 -5.18 121.76 113.67 2ror s ALA 11 Ca 0.01 1.74 -0.25 0.00 0.00 0.00 0.00 51.96 53.46 2ror s ALA 11 Cb -0.15 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.08 2ror s ALA 11 CO -0.10 -0.30 0.71 -1.83 0.00 0.00 0.00 175.76 174.25 2ror s GLU 12 N -0.33 0.83 -0.17 0.00 -1.05 -1.26 -4.94 118.70 111.78 2ror s GLU 12 Ca -0.01 0.99 -0.12 0.00 -0.15 0.00 0.00 54.97 55.68 2ror s GLU 12 Cb -0.03 0.40 0.05 0.00 -0.44 0.00 0.00 34.13 34.12 2ror s GLU 12 CO -0.00 -0.10 0.44 1.14 0.95 0.00 0.00 175.26 177.69 2ror s GLN 13 N 0.39 0.46 -0.34 -4.83 -2.07 -1.26 -5.13 119.66 106.88 2ror s GLN 13 Ca -0.00 0.74 -0.05 0.00 -1.82 0.00 0.00 55.36 54.23 2ror s GLN 13 Cb -0.05 0.10 0.06 0.00 -1.09 0.00 0.00 33.01 32.03 2ror s GLN 13 CO 0.01 -0.12 0.10 0.54 -1.32 0.00 0.00 175.29 174.50 2ror s ASN 14 N 0.92 5.21 -0.25 12.60 2.20 -1.26 -4.94 114.94 129.41 2ror s ASN 14 Ca -0.06 -1.34 0.11 0.00 -0.94 0.00 0.00 52.86 50.64 2ror s ASN 14 Cb -0.06 -1.83 0.46 0.00 -2.00 0.00 0.00 41.25 37.82 2ror s ASN 14 CO -0.07 -0.36 1.19 0.79 -2.94 0.00 0.00 177.10 175.70 2ror n TRP 15 N 4.73 1.81 -2.78 1.54 7.02 -1.26 -5.00 117.44 123.50 2ror n TRP 15 Ca -0.11 -1.96 -0.43 0.00 -1.02 0.00 0.00 57.50 53.98 2ror n TRP 15 Cb 0.44 -0.30 -0.03 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 -3.37 2.63 -0.80 -5.99 -2.14 -1.26 -4.94 118.94 103.07 2ror s TRP 16 Ca 0.44 -0.55 0.02 0.00 2.66 0.00 0.00 56.10 58.67 2ror s TRP 16 Cb 0.39 -4.39 0.21 0.00 -3.10 0.00 0.00 33.47 26.58 2ror s TRP 16 CO -0.01 -1.74 0.70 0.39 -2.66 0.00 0.00 176.95 173.64 2ror n GLU 17 N 8.01 2.41 -3.93 3.25 1.02 -1.26 -4.89 120.64 125.25 2ror n GLU 17 Ca 0.03 -4.52 -0.34 0.00 -0.02 0.00 0.00 57.16 52.31 2ror n GLU 17 Cb 0.47 -2.35 0.01 0.00 -0.02 0.00 0.00 31.44 29.56 2ror n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 18 N 1.88 -0.70 3.77 0.62 0.00 -1.26 -4.87 105.19 104.64 2ror n GLY 18 Ca 0.23 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.48 2.54 0.30 1.61 0.04 -1.26 -5.05 135.00 126.70 2ror s PRO 19 Ca 0.32 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 2ror s PRO 19 Cb -0.18 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2ror s PRO 19 CO 0.74 -1.44 0.27 -0.35 0.04 0.00 0.00 177.00 176.25 2ror n PRO 20 N -2.93 -1.55 -1.74 0.56 -0.04 -1.26 -4.82 135.00 123.22 2ror n PRO 20 Ca 0.10 -0.42 -0.68 0.00 -0.04 0.00 0.00 63.50 62.46 2ror n PRO 20 Cb 0.52 -0.40 -0.10 0.00 -0.04 0.00 0.00 33.50 33.49 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 -2.33 0.01 -3.95 0.54 7.27 -1.26 -4.90 117.38 112.76 2ror n GLN 21 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.02 2ror n GLN 21 Cb 0.14 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2ror s ASP 22 N 3.09 -0.04 0.57 1.69 1.01 -1.26 -5.01 116.67 116.73 2ror s ASP 22 Ca 1.05 -0.91 0.35 0.00 0.71 0.00 0.00 52.55 53.75 2ror s ASP 22 Cb -1.50 0.66 1.40 0.00 1.01 0.00 0.00 42.92 44.50 2ror s ASP 22 CO 0.81 -1.27 1.65 -0.07 0.21 0.00 0.00 175.17 176.50 2ror h LEU 23 N 2.14 0.00 -0.98 1.23 3.38 -1.95 -0.55 115.31 118.57 2ror h LEU 23 Ca -0.25 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.04 2ror h LEU 23 Cb 1.25 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 2ror h LEU 23 CO 0.33 0.00 0.23 -1.28 0.09 0.00 0.00 178.44 177.81 2ror h SER 24 N 0.00 -0.15 -0.91 -0.43 0.87 -1.94 0.48 113.55 111.47 2ror h SER 24 Ca 0.53 0.26 0.25 0.00 -1.23 0.00 0.00 61.79 61.61 2ror h SER 24 Cb 2.47 0.39 -0.16 0.00 -0.44 0.00 0.00 62.40 64.66 2ror h SER 24 CO -0.01 -0.36 0.14 -0.37 -0.53 0.00 0.00 176.83 175.71 2ror h VAL 25 N 0.04 0.18 -4.04 2.23 -1.51 -1.47 -3.40 116.25 108.28 2ror h VAL 25 Ca 0.68 -0.03 -0.54 0.00 -1.23 0.00 0.00 66.70 65.58 2ror h VAL 25 Cb 1.56 0.07 0.11 0.00 -2.13 0.00 0.00 31.29 30.90 2ror h VAL 25 CO -0.84 0.02 0.56 -1.00 -1.23 0.00 0.00 177.57 175.08 2ror s HIS 26 N -5.96 2.46 -1.12 5.19 4.02 0.17 -4.85 115.29 115.21 2ror s HIS 26 Ca -0.12 1.43 0.01 0.00 1.02 0.00 0.00 55.06 57.40 2ror s HIS 26 Cb 0.27 -3.66 0.04 0.00 -1.02 0.00 0.00 32.58 28.22 2ror s HIS 26 CO 0.77 -2.45 0.97 1.28 1.02 0.00 0.00 174.74 176.34 2ror n LEU 27 N -0.90 0.00 -3.94 0.89 4.77 -1.26 -4.39 117.00 112.17 2ror n LEU 27 Ca 0.10 0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 56.29 2ror n LEU 27 Cb 0.46 -0.44 -0.17 0.00 -2.33 0.00 0.00 43.42 40.94 2ror n LEU 27 CO 0.51 -0.43 -0.43 -1.66 -1.33 0.00 0.00 177.39 174.05 2ror s TRP 28 N -2.88 1.11 -0.10 -1.77 1.48 -1.26 -2.52 118.94 113.00 2ror s TRP 28 Ca 0.01 -0.40 -0.12 0.00 -1.06 0.00 0.00 56.10 54.53 2ror s TRP 28 Cb 0.01 -0.91 0.03 0.00 -1.16 0.00 0.00 33.47 31.44 2ror s TRP 28 CO 0.02 -0.28 0.31 -0.47 -4.06 0.00 0.00 176.95 172.47 2ror s TYR 29 N 1.01 -0.31 -0.26 1.66 5.04 -1.26 -4.69 117.35 118.54 2ror s TYR 29 Ca -0.09 0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 55.23 2ror s TYR 29 Cb -0.14 0.11 0.15 0.00 0.35 0.00 0.00 41.96 42.43 2ror s TYR 29 CO -0.00 -0.21 0.44 0.00 -1.34 0.00 0.00 175.55 174.44 2ror s ALA 30 N -0.15 -1.43 0.52 3.97 0.00 0.43 -4.67 121.76 120.43 2ror s ALA 30 Ca -0.03 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2ror s ALA 30 Cb -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2ror s ALA 30 CO 0.01 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2ror n GLY 31 N 5.38 -2.59 0.00 0.00 0.00 -1.26 -3.21 105.19 103.51 2ror n GLY 31 Ca -0.03 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.03 1.61 -0.04 -1.26 -2.31 135.00 132.46 2ror n PRO 32 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2ror n PRO 32 Cb 0.00 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.71 0.00 -1.34 0.54 1.56 -1.26 -4.86 117.12 111.04 2ror n MET 33 Ca 0.05 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.19 2ror n MET 33 Cb 0.02 -0.88 0.14 0.00 2.15 0.00 0.00 33.22 34.65 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 1.76 1.19 0.00 2.12 -1.05 -1.26 -4.68 118.70 116.77 2ror s GLU 34 Ca 0.62 0.58 -0.00 0.00 -0.15 0.00 0.00 54.97 56.02 2ror s GLU 34 Cb -0.88 -1.82 -0.00 0.00 -0.44 0.00 0.00 34.13 30.99 2ror s GLU 34 CO 0.48 -2.23 0.79 -2.13 0.95 0.00 0.00 175.26 173.12 2ror n ARG 35 N -3.84 -0.01 -0.33 -4.83 0.00 -1.26 0.78 116.66 107.17 2ror n ARG 35 Ca 0.06 0.79 0.13 0.00 -0.00 0.00 0.00 57.85 58.83 2ror n ARG 35 Cb 0.57 -1.19 0.31 0.00 0.00 0.00 0.00 32.46 32.16 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 -0.77 1.56 -0.85 5.13 0.00 -1.94 0.18 119.26 122.57 2ror h ALA 36 Ca 0.00 0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.24 2ror h ALA 36 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2ror h ALA 36 CO -0.01 -0.17 0.58 0.78 0.00 0.00 0.00 179.25 180.43 2ror h GLY 37 N 0.61 0.48 0.00 0.00 0.00 0.05 -1.08 103.07 103.13 2ror h GLY 37 Ca 0.57 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 2ror h GLY 37 CO -0.43 -0.00 -0.54 0.00 0.00 0.00 0.00 176.54 175.57 2ror h ALA 38 N 1.61 0.07 -0.93 3.60 0.00 0.25 -3.36 119.26 120.50 2ror h ALA 38 Ca 0.43 -0.58 0.28 0.00 0.00 0.00 0.00 54.91 55.03 2ror h ALA 38 Cb 1.31 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 19.35 2ror h ALA 38 CO -0.10 0.40 0.24 0.93 0.00 0.00 0.00 179.25 180.72 2ror h GLU 39 N -1.00 0.13 -0.75 0.00 5.08 -1.08 1.04 114.58 117.99 2ror h GLU 39 Ca -0.09 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.39 2ror h GLU 39 Cb 0.66 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2ror h GLU 39 CO -0.05 0.08 0.50 1.03 -1.00 0.00 0.00 179.01 179.57 2ror h SER 40 N 0.13 0.50 0.00 1.42 0.87 -1.37 0.78 113.55 115.88 2ror h SER 40 Ca 0.62 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 2ror h SER 40 Cb 1.34 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2ror h SER 40 CO -0.74 0.28 0.00 -0.38 -0.53 0.00 0.00 176.83 175.46 2ror n ILE 41 N -4.50 0.00 0.22 2.23 5.41 0.36 -3.27 119.36 119.82 2ror n ILE 41 Ca 0.14 0.76 0.07 0.00 1.00 0.00 0.00 62.75 64.72 2ror n ILE 41 Cb 0.43 -1.55 0.39 0.00 -0.71 0.00 0.00 39.64 38.20 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 -0.39 1.39 -0.00 -1.47 0.37 115.31 115.21 2ror h LEU 42 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 2ror h LEU 42 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 2ror h LEU 42 CO 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 178.44 178.06 2ror h ALA 43 N 0.96 0.57 0.18 1.53 0.00 -0.85 -3.29 119.26 118.35 2ror h ALA 43 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 54.91 54.11 2ror h ALA 43 Cb 0.87 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.54 2ror h ALA 43 CO 0.00 0.68 -1.75 -0.91 0.00 0.00 0.00 179.25 177.27 2ror h ASN 44 N 0.77 0.58 -3.29 0.00 2.35 -0.27 -3.47 115.58 112.24 2ror h ASN 44 Ca 0.06 -0.93 -0.44 0.00 -0.55 0.00 0.00 56.30 54.43 2ror h ASN 44 Cb 0.98 -0.19 0.22 0.00 0.05 0.00 0.00 38.32 39.38 2ror h ASN 44 CO 0.10 1.79 0.01 -0.13 -1.65 0.00 0.00 177.43 177.54 2ror s ARG 45 N -2.57 -0.94 1.04 0.81 1.81 -0.80 -4.96 118.95 113.35 2ror s ARG 45 Ca -0.17 0.92 -0.12 0.00 -1.72 0.00 0.00 55.73 54.64 2ror s ARG 45 Cb 0.05 -1.54 0.20 0.00 -0.45 0.00 0.00 34.95 33.21 2ror s ARG 45 CO 0.84 -3.76 0.97 0.45 -0.68 0.00 0.00 175.30 173.12 2ror n SER 46 N -4.95 -0.87 -4.62 0.23 2.88 -1.26 -4.87 113.62 100.16 2ror n SER 46 Ca 0.03 0.14 -0.43 0.00 -1.33 0.00 0.00 58.87 57.28 2ror n SER 46 Cb 0.54 -1.34 -0.02 0.00 -0.75 0.00 0.00 64.21 62.63 2ror n SER 46 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2ror s ASP 47 N -2.45 6.25 0.00 -3.46 1.11 -1.26 -2.70 116.67 114.16 2ror s ASP 47 Ca 0.66 1.38 0.00 0.00 0.18 0.00 0.00 52.55 54.77 2ror s ASP 47 Cb -0.23 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.22 2ror s ASP 47 CO 0.62 -1.41 0.00 0.61 1.18 0.00 0.00 175.17 176.18 2ror n GLY 48 N 4.93 1.01 3.73 0.21 0.00 -0.95 -4.96 105.19 109.16 2ror n GLY 48 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.88 2.57 0.31 2.61 2.01 -1.10 -2.12 115.64 118.03 2ror s THR 49 Ca 0.00 0.25 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 2ror s THR 49 Cb 0.00 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.82 2ror s THR 49 CO 0.00 -0.18 0.54 0.72 -0.69 0.00 0.00 174.62 175.01 2ror s PHE 50 N -2.29 0.54 0.21 4.92 -0.71 0.29 -1.17 117.98 119.77 2ror s PHE 50 Ca 0.70 -0.91 -0.22 0.00 -1.04 0.00 0.00 56.93 55.45 2ror s PHE 50 Cb -0.25 0.23 0.07 0.00 -1.21 0.00 0.00 43.02 41.86 2ror s PHE 50 CO 0.48 -1.15 0.95 -0.48 -1.34 0.00 0.00 175.22 173.68 2ror s LEU 51 N -3.10 -0.08 -0.24 -1.99 0.05 -0.09 -1.53 118.68 111.71 2ror s LEU 51 Ca 0.24 -0.65 0.01 0.00 0.05 0.00 0.00 54.13 53.78 2ror s LEU 51 Cb -0.02 2.27 0.04 0.00 -2.05 0.00 0.00 46.19 46.43 2ror s LEU 51 CO 0.13 -1.09 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.05 2ror s VAL 52 N -2.70 2.42 0.39 1.48 1.01 -1.26 -2.39 120.40 119.35 2ror s VAL 52 Ca 0.17 -1.27 0.08 0.00 0.00 0.00 0.00 61.98 60.95 2ror s VAL 52 Cb -0.03 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2ror s VAL 52 CO 0.05 0.17 0.49 -0.13 0.00 0.00 0.00 175.10 175.68 2ror s ARG 53 N 1.22 2.85 0.09 2.72 0.52 0.78 -0.43 118.95 126.71 2ror s ARG 53 Ca -0.03 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 53.97 2ror s ARG 53 Cb -0.17 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2ror s ARG 53 CO -0.06 -0.14 -0.07 -1.14 0.02 0.00 0.00 175.30 173.91 2ror s GLN 54 N -4.24 0.81 -0.17 3.54 0.74 -0.98 -0.26 119.66 119.12 2ror s GLN 54 Ca 0.50 -1.28 -0.16 0.00 0.05 0.00 0.00 55.36 54.47 2ror s GLN 54 Cb -0.08 -0.25 -0.04 0.00 1.10 0.00 0.00 33.01 33.74 2ror s GLN 54 CO 0.31 -0.00 0.40 0.50 -0.55 0.00 0.00 175.29 175.95 2ror s ARG 55 N -3.56 4.25 0.18 1.67 6.06 -1.26 -4.33 118.95 121.96 2ror s ARG 55 Ca 0.10 0.26 0.06 0.00 -2.50 0.00 0.00 55.73 53.64 2ror s ARG 55 Cb 0.03 -3.48 0.01 0.00 0.06 0.00 0.00 34.95 31.58 2ror s ARG 55 CO -0.04 0.09 1.40 -0.24 -2.50 0.00 0.00 175.30 174.01 2ror h VAL 56 N 4.85 1.55 -0.92 7.11 3.04 -1.96 -3.25 116.25 126.68 2ror h VAL 56 Ca -0.39 -2.76 0.03 0.00 -1.01 0.00 0.00 66.70 62.57 2ror h VAL 56 Cb 1.17 2.52 -0.05 0.00 -2.01 0.00 0.00 31.29 32.91 2ror h VAL 56 CO 0.74 0.80 0.60 0.11 -1.01 0.00 0.00 177.57 178.81 2ror h LYS 57 N 0.04 1.14 -3.03 4.17 1.79 -2.01 -3.42 116.57 115.25 2ror h LYS 57 Ca -0.03 -0.07 -0.21 0.00 -2.18 0.00 0.00 60.65 58.17 2ror h LYS 57 Cb 1.50 -0.26 -0.31 0.00 -1.58 0.00 0.00 32.23 31.59 2ror h LYS 57 CO 0.12 0.75 -0.51 0.34 -1.08 0.00 0.00 179.45 179.07 2ror s ASP 58 N -5.95 -0.13 -0.08 0.86 2.15 -1.22 -5.03 116.67 107.26 2ror s ASP 58 Ca -0.13 0.50 -0.00 0.00 0.43 0.00 0.00 52.55 53.35 2ror s ASP 58 Cb 0.18 0.41 0.04 0.00 -0.30 0.00 0.00 42.92 43.26 2ror s ASP 58 CO 0.80 -0.18 2.06 0.00 -0.17 0.00 0.00 175.17 177.68 2ror n ALA 59 N 4.41 4.36 -2.53 3.66 0.00 -1.26 -4.00 120.51 125.15 2ror n ALA 59 Ca -0.22 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 52.64 2ror n ALA 59 Cb 0.52 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 1.25 3.65 -3.78 0.00 0.00 -1.26 -5.08 120.51 115.28 2ror n ALA 60 Ca 0.09 -3.25 -0.02 0.00 0.00 0.00 0.00 53.44 50.27 2ror n ALA 60 Cb 0.53 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2ror n ALA 60 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2ror s GLU 61 N -3.64 0.99 0.36 0.00 -1.05 -1.26 -4.47 118.70 109.62 2ror s GLU 61 Ca 0.36 -0.58 -0.11 0.00 -0.15 0.00 0.00 54.97 54.49 2ror s GLU 61 Cb 0.37 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 34.40 2ror s GLU 61 CO -0.02 -0.46 0.65 -0.06 0.95 0.00 0.00 175.26 176.33 2ror s PHE 62 N -2.66 0.48 0.14 4.83 0.08 -1.24 -4.11 117.98 115.50 2ror s PHE 62 Ca 0.17 -0.96 -0.13 0.00 0.12 0.00 0.00 56.93 56.12 2ror s PHE 62 Cb -0.00 0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.92 2ror s PHE 62 CO 0.02 -1.37 0.36 0.00 -0.10 0.00 0.00 175.22 174.13 2ror s ALA 63 N -2.73 -0.61 -0.25 5.36 0.00 0.65 0.24 121.76 124.41 2ror s ALA 63 Ca 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 2ror s ALA 63 Cb -0.03 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.89 2ror s ALA 63 CO 0.15 -0.65 0.08 0.42 0.00 0.00 0.00 175.76 175.75 2ror s ILE 64 N -3.86 0.51 -0.04 0.00 1.01 0.17 -0.15 121.20 118.84 2ror s ILE 64 Ca 0.07 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.74 2ror s ILE 64 Cb 0.02 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 2ror s ILE 64 CO -0.08 -0.47 0.29 -0.55 0.00 0.00 0.00 174.94 174.14 2ror s SER 65 N 1.83 6.61 -0.09 3.58 0.15 -1.01 -0.63 113.70 124.15 2ror s SER 65 Ca 0.05 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.29 2ror s SER 65 Cb -0.17 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2ror s SER 65 CO -0.19 0.34 0.33 -0.51 1.20 0.00 0.00 173.24 174.41 2ror s ILE 66 N -1.11 0.02 -0.12 6.45 -1.16 -0.81 -0.91 121.20 123.56 2ror s ILE 66 Ca 0.22 -0.15 -0.20 0.00 -0.51 0.00 0.00 60.65 60.00 2ror s ILE 66 Cb -0.14 -0.53 -0.04 0.00 0.61 0.00 0.00 42.46 42.36 2ror s ILE 66 CO 0.11 -0.08 0.58 -0.75 -2.81 0.00 0.00 174.94 171.98 2ror s LYS 67 N -0.30 4.34 -0.27 3.50 2.47 -0.32 -1.00 119.74 128.16 2ror s LYS 67 Ca -0.04 0.61 -0.25 0.00 -1.56 0.00 0.00 55.97 54.72 2ror s LYS 67 Cb -0.03 -3.47 0.11 0.00 -1.46 0.00 0.00 37.83 32.98 2ror s LYS 67 CO 0.02 0.04 0.98 -0.47 0.16 0.00 0.00 175.35 176.07 2ror s TYR 68 N 0.98 -0.52 -0.97 4.03 5.04 0.31 -2.23 117.35 123.99 2ror s TYR 68 Ca 0.30 1.24 -0.01 0.00 -2.44 0.00 0.00 57.07 56.16 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 0.13 -0.27 0.81 -1.71 -1.34 0.00 0.00 175.55 173.17 2ror n ASN 69 N 2.16 -2.64 -1.90 4.32 4.05 -1.26 -2.24 115.26 117.75 2ror n ASN 69 Ca -0.13 -0.52 -0.08 0.00 0.45 0.00 0.00 54.58 54.31 2ror n ASN 69 Cb 0.56 -4.33 -0.02 0.00 1.23 0.00 0.00 39.78 37.23 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 -3.47 -0.20 -3.71 3.44 0.24 -1.26 -4.87 118.33 108.50 2ror n VAL 70 Ca -0.21 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 2ror n VAL 70 Cb 0.63 -0.91 -0.09 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.95 0.59 -0.29 7.34 2.02 -0.95 -5.14 118.70 118.33 2ror s GLU 71 Ca 0.00 0.50 -0.15 0.00 0.02 0.00 0.00 54.97 55.34 2ror s GLU 71 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 34.13 34.48 2ror s GLU 71 CO 0.00 -0.10 0.36 0.08 0.02 0.00 0.00 175.26 175.62 2ror s VAL 72 N -0.08 5.18 0.50 2.63 1.01 -1.26 -0.53 120.40 127.85 2ror s VAL 72 Ca -0.03 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.44 2ror s VAL 72 Cb -0.03 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.67 2ror s VAL 72 CO 0.02 0.10 0.69 -0.54 0.00 0.00 0.00 175.10 175.37 2ror s LYS 73 N 2.04 2.57 -0.04 2.72 -0.14 -0.17 -4.93 119.74 121.80 2ror s LYS 73 Ca 0.14 -1.27 -0.03 0.00 -1.36 0.00 0.00 55.97 53.45 2ror s LYS 73 Cb -0.16 -2.66 0.01 0.00 -1.68 0.00 0.00 37.83 33.34 2ror s LYS 73 CO 0.11 -0.58 0.10 -1.01 -0.76 0.00 0.00 175.35 173.21 2ror s HIS 74 N -2.55 -0.10 -0.22 3.18 3.76 -1.26 -1.92 115.29 116.18 2ror s HIS 74 Ca 0.58 0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.75 2ror s HIS 74 Cb -0.09 0.03 0.04 0.00 1.11 0.00 0.00 32.58 33.67 2ror s HIS 74 CO 0.36 -0.06 -0.16 0.42 -0.85 0.00 0.00 174.74 174.46 2ror s ILE 75 N -0.00 2.13 0.33 0.60 1.01 0.20 -4.93 121.20 120.54 2ror s ILE 75 Ca -0.01 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.12 2ror s ILE 75 Cb -0.01 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 2ror s ILE 75 CO 0.00 0.27 0.97 -0.75 0.00 0.00 0.00 174.94 175.43 2ror s LYS 76 N 1.20 4.53 -0.07 2.79 2.20 -1.26 0.43 119.74 129.56 2ror s LYS 76 Ca -0.01 1.39 0.03 0.00 -0.36 0.00 0.00 55.97 57.02 2ror s LYS 76 Cb -0.16 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2ror s LYS 76 CO -0.09 0.22 -0.16 0.42 -0.36 0.00 0.00 175.35 175.38 2ror s ILE 77 N -1.58 2.92 0.21 5.43 1.01 0.14 -4.78 121.20 124.55 2ror s ILE 77 Ca 0.51 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2ror s ILE 77 Cb -0.20 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2ror s ILE 77 CO 0.26 0.57 0.18 -0.04 0.00 0.00 0.00 174.94 175.91 2ror s MET 78 N -0.44 2.96 -0.17 2.79 -1.94 -1.21 -3.65 119.30 117.63 2ror s MET 78 Ca 0.05 -0.94 -0.09 0.00 -1.71 0.00 0.00 55.69 53.00 2ror s MET 78 Cb -0.12 -2.63 0.06 0.00 2.01 0.00 0.00 34.83 34.15 2ror s MET 78 CO 0.02 0.44 0.41 0.95 -0.01 0.00 0.00 175.02 176.84 2ror s THR 79 N -1.94 -0.09 0.13 2.05 -4.23 -1.26 -3.81 115.64 106.50 2ror s THR 79 Ca 0.32 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.93 2ror s THR 79 Cb -0.09 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.13 2ror s THR 79 CO 0.25 0.04 0.00 0.00 -0.54 0.00 0.00 174.62 174.37 2ror n ALA 80 N 4.38 3.00 -2.10 3.99 0.00 -1.26 -4.88 120.51 123.64 2ror n ALA 80 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 2ror n ALA 80 Cb 0.55 0.22 0.02 0.00 0.00 0.00 0.00 19.45 20.23 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 -3.43 3.37 -2.43 0.00 1.02 -1.26 -4.88 120.64 113.03 2ror n GLU 81 Ca 0.00 -4.14 -0.09 0.00 -0.02 0.00 0.00 57.16 52.92 2ror n GLU 81 Cb 0.04 -2.27 0.01 0.00 -0.02 0.00 0.00 31.44 29.20 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 -0.63 0.15 3.41 0.62 0.00 -1.26 -5.04 105.19 102.43 2ror n GLY 82 Ca 0.45 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.76 2.55 -0.11 0.99 1.43 -1.26 -4.82 118.68 114.71 2ror s LEU 83 Ca 0.08 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.20 2ror s LEU 83 Cb -0.04 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.26 2ror s LEU 83 CO 0.10 -0.03 -0.15 -0.31 0.23 0.00 0.00 176.35 176.19 2ror s TYR 84 N -2.55 1.92 -0.11 0.29 1.51 -1.18 -4.16 117.35 113.08 2ror s TYR 84 Ca 0.25 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 55.12 2ror s TYR 84 Cb -0.04 -1.40 0.09 0.00 -0.11 0.00 0.00 41.96 40.50 2ror s TYR 84 CO 0.11 -0.47 0.78 -0.98 -1.11 0.00 0.00 175.55 173.88 2ror s ARG 85 N 0.99 0.90 -0.01 -0.62 1.70 -1.25 -1.59 118.95 119.08 2ror s ARG 85 Ca -0.07 0.31 0.13 0.00 -0.47 0.00 0.00 55.73 55.63 2ror s ARG 85 Cb -0.15 0.43 -0.18 0.00 -0.57 0.00 0.00 34.95 34.48 2ror s ARG 85 CO -0.01 -0.26 0.38 0.44 -1.08 0.00 0.00 175.30 174.76 2ror n ILE 86 N 1.06 0.00 -3.72 4.99 -6.64 -1.26 -3.34 119.36 110.46 2ror n ILE 86 Ca -0.16 -0.26 -0.12 0.00 -1.77 0.00 0.00 62.75 60.44 2ror n ILE 86 Cb 0.57 0.52 -0.12 0.00 -1.44 0.00 0.00 39.64 39.17 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2ror s THR 87 N -2.62 -0.03 0.61 7.28 -4.23 -1.26 -5.01 115.64 110.38 2ror s THR 87 Ca -0.01 0.11 0.27 0.00 -1.18 0.00 0.00 61.69 60.88 2ror s THR 87 Cb 0.09 -0.50 0.37 0.00 1.34 0.00 0.00 72.50 73.80 2ror s THR 87 CO 0.53 0.04 1.59 1.05 -0.54 0.00 0.00 174.62 177.29 2ror h GLU 88 N 7.02 0.00 0.17 3.99 4.11 -2.03 0.16 114.58 128.00 2ror h GLU 88 Ca -0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.05 2ror h GLU 88 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ror h GLU 88 CO 0.33 0.00 -0.08 0.87 0.07 0.00 0.00 179.01 180.20 2ror h LYS 89 N 0.00 -0.22 -6.40 1.06 1.79 -2.02 -3.43 116.57 107.35 2ror h LYS 89 Ca 0.32 0.02 -0.68 0.00 -2.18 0.00 0.00 60.65 58.13 2ror h LYS 89 Cb 2.00 0.05 -0.20 0.00 -1.58 0.00 0.00 32.23 32.50 2ror h LYS 89 CO -0.00 -0.09 -0.75 0.21 -1.08 0.00 0.00 179.45 177.74 2ror s LYS 90 N -5.84 2.37 -0.02 3.15 2.47 0.56 -5.13 119.74 117.31 2ror s LYS 90 Ca -0.14 -0.81 -0.05 0.00 -1.56 0.00 0.00 55.97 53.40 2ror s LYS 90 Cb 0.05 -2.37 0.01 0.00 -1.46 0.00 0.00 37.83 34.05 2ror s LYS 90 CO 0.64 0.58 0.12 0.00 0.16 0.00 0.00 175.35 176.86 2ror s ALA 91 N -0.93 -0.29 0.37 3.13 0.00 -1.26 -4.12 121.76 118.66 2ror s ALA 91 Ca 0.15 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.26 2ror s ALA 91 Cb -0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 2ror s ALA 91 CO 0.06 -0.13 0.04 -0.06 0.00 0.00 0.00 175.76 175.67 2ror s PHE 92 N -0.64 2.17 -0.06 0.00 0.40 -0.62 -5.04 117.98 114.19 2ror s PHE 92 Ca -0.07 -0.86 0.21 0.00 -0.60 0.00 0.00 56.93 55.60 2ror s PHE 92 Cb -0.04 -1.49 -0.32 0.00 0.51 0.00 0.00 43.02 41.68 2ror s PHE 92 CO 0.01 0.18 0.39 2.89 0.70 0.00 0.00 175.22 179.39 2ror n ARG 93 N -0.84 0.67 -3.74 0.44 0.00 -1.26 -3.13 116.66 108.79 2ror n ARG 93 Ca -0.05 -0.16 -0.13 0.00 -0.00 0.00 0.00 57.85 57.51 2ror n ARG 93 Cb 0.67 -1.51 -0.09 0.00 -0.00 0.00 0.00 32.46 31.53 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 -4.67 -0.21 0.23 2.89 0.00 -1.26 -4.63 107.32 99.67 2ror s GLY 94 Ca -0.08 0.56 -0.06 0.00 0.00 0.00 0.00 44.72 45.14 2ror s GLY 94 CO 0.88 0.36 1.81 -2.00 0.00 0.00 0.00 173.10 174.15 2ror h LEU 95 N 4.24 0.65 -0.51 0.66 5.85 -1.94 -1.83 115.31 122.42 2ror h LEU 95 Ca -0.29 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.58 2ror h LEU 95 Cb 1.18 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.02 2ror h LEU 95 CO 0.37 0.38 -0.23 0.74 -0.34 0.00 0.00 178.44 179.36 2ror h THR 96 N 0.77 0.32 -0.07 1.05 2.02 -1.99 -0.10 112.91 114.91 2ror h THR 96 Ca 0.37 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.54 2ror h THR 96 Cb 0.30 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2ror h THR 96 CO -0.23 0.00 0.01 -0.33 0.37 0.00 0.00 175.52 175.35 2ror h GLU 97 N -0.11 0.12 -1.02 6.66 4.39 -1.83 0.27 114.58 123.05 2ror h GLU 97 Ca 0.24 -0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.17 2ror h GLU 97 Cb 0.48 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 2ror h GLU 97 CO -0.59 0.34 0.69 1.25 -1.16 0.00 0.00 179.01 179.54 2ror h LEU 98 N -0.12 0.26 0.11 1.33 6.46 -0.52 0.56 115.31 123.40 2ror h LEU 98 Ca 0.02 0.04 -0.31 0.00 -0.12 0.00 0.00 57.88 57.51 2ror h LEU 98 Cb 0.28 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2ror h LEU 98 CO 0.00 0.07 -1.64 0.58 -0.62 0.00 0.00 178.44 176.83 2ror h VAL 99 N 0.24 0.86 0.00 1.05 2.07 -0.77 -3.13 116.25 116.57 2ror h VAL 99 Ca 0.53 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.69 2ror h VAL 99 Cb 1.63 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 2ror h VAL 99 CO -0.16 0.74 0.00 -0.62 0.02 0.00 0.00 177.57 177.55 2ror n GLU 100 N -3.80 0.16 -0.12 1.57 -0.58 0.91 -3.02 120.64 115.76 2ror n GLU 100 Ca -0.28 0.17 -0.25 0.00 -0.42 0.00 0.00 57.16 56.37 2ror n GLU 100 Cb 0.94 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.20 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 -1.34 0.35 -0.34 -0.32 7.35 0.19 -4.39 117.46 118.96 2ror n PHE 101 Ca 0.06 0.13 0.12 0.00 -0.76 0.00 0.00 57.45 57.00 2ror n PHE 101 Cb 0.14 -1.04 0.32 0.00 0.35 0.00 0.00 39.48 39.25 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 -0.74 1.01 0.00 -5.13 0.05 -1.48 0.27 116.97 110.95 2ror h TYR 102 Ca -0.58 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.23 2ror h TYR 102 Cb 1.63 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 39.05 2ror h TYR 102 CO -0.01 0.30 0.35 1.96 -1.05 0.00 0.00 178.16 179.71 2ror h GLN 103 N 0.79 0.00 0.00 4.88 4.20 -1.75 0.59 115.11 123.82 2ror h GLN 103 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 2ror h GLN 103 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 2ror h GLN 103 CO -0.31 0.00 -0.62 1.04 -0.67 0.00 0.00 178.83 178.27 2ror n GLN 104 N -2.45 3.36 -3.92 1.46 3.00 0.87 -4.87 117.38 114.84 2ror n GLN 104 Ca -0.01 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.66 2ror n GLN 104 Cb 0.38 -0.95 -0.16 0.00 0.00 0.00 0.00 30.24 29.52 2ror n GLN 104 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2ror s ASN 105 N -2.04 3.88 0.67 1.08 0.01 0.21 -5.12 114.94 113.63 2ror s ASN 105 Ca 0.01 -1.26 -0.17 0.00 -0.71 0.00 0.00 52.86 50.73 2ror s ASN 105 Cb 0.06 -1.15 -0.05 0.00 0.41 0.00 0.00 41.25 40.51 2ror s ASN 105 CO 0.32 -0.26 0.63 -1.54 -1.51 0.00 0.00 177.10 174.74 2ror n SER 106 N 4.68 -0.71 0.10 -1.22 3.41 -1.25 -4.55 113.62 114.06 2ror n SER 106 Ca -0.10 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 2ror n SER 106 Cb 0.44 -1.25 0.20 0.00 -0.26 0.00 0.00 64.21 63.34 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2ror h LEU 107 N -0.09 0.00 -1.93 1.04 4.07 -1.70 -3.30 115.31 113.40 2ror h LEU 107 Ca -0.46 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.40 2ror h LEU 107 Cb 1.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.10 2ror h LEU 107 CO 0.45 0.05 0.17 0.07 -1.08 0.00 0.00 178.44 178.10 2ror h LYS 108 N 0.00 0.00 -0.03 1.13 2.10 -1.37 0.58 116.57 118.99 2ror h LYS 108 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2ror h LYS 108 Cb 0.82 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2ror h LYS 108 CO 0.00 0.00 -0.01 0.22 -2.00 0.00 0.00 179.45 177.66 2ror h ASP 109 N 0.00 0.06 0.02 7.07 3.58 -1.84 -3.38 116.42 121.94 2ror h ASP 109 Ca 0.00 -0.42 -0.35 0.00 0.42 0.00 0.00 57.03 56.68 2ror h ASP 109 Cb 0.33 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.32 2ror h ASP 109 CO 0.00 0.46 -1.97 0.00 -2.88 0.00 0.00 179.24 174.85 2ror s PHE 111 N -2.47 3.60 -0.05 0.00 0.08 0.19 -4.99 117.98 114.35 2ror s PHE 111 Ca -0.32 0.97 -0.19 0.00 0.12 0.00 0.00 56.93 57.51 2ror s PHE 111 Cb 0.09 -2.50 -0.31 0.00 -0.57 0.00 0.00 43.02 39.73 2ror s PHE 111 CO 0.60 0.32 0.83 -0.22 -0.10 0.00 0.00 175.22 176.64 2ror h LYS 112 N 6.03 0.33 -0.21 0.44 3.64 -1.82 -3.30 116.57 121.68 2ror h LYS 112 Ca -0.44 -0.57 -0.03 0.00 -1.27 0.00 0.00 60.65 58.35 2ror h LYS 112 Cb 1.19 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2ror h LYS 112 CO 0.71 1.27 0.03 1.03 -2.27 0.00 0.00 179.45 180.22 2ror h SER 113 N -0.26 0.33 -3.64 4.20 0.87 -1.94 -3.40 113.55 109.72 2ror h SER 113 Ca -0.20 -0.27 -0.56 0.00 -1.23 0.00 0.00 61.79 59.53 2ror h SER 113 Cb 1.77 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 63.58 2ror h SER 113 CO 0.15 0.52 0.93 -0.76 -0.53 0.00 0.00 176.83 177.14 2ror s LEU 114 N -9.60 3.66 -0.40 2.23 1.43 -1.26 -4.89 118.68 109.87 2ror s LEU 114 Ca -0.14 0.56 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2ror s LEU 114 Cb 0.07 -3.55 0.52 0.00 0.03 0.00 0.00 46.19 43.26 2ror s LEU 114 CO 0.73 -1.23 1.62 -0.67 0.23 0.00 0.00 176.35 177.03 2ror n ASP 115 N 7.82 4.09 -3.49 2.29 2.03 -1.26 -1.57 116.55 126.45 2ror n ASP 115 Ca 0.12 -3.75 -0.10 0.00 0.52 0.00 0.00 54.79 51.57 2ror n ASP 115 Cb 0.49 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 40.16 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 -3.78 0.00 0.25 5.18 -1.32 -1.26 -4.76 115.64 109.96 2ror s THR 116 Ca 0.52 -1.32 0.04 0.00 -1.21 0.00 0.00 61.69 59.72 2ror s THR 116 Cb 0.44 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.89 2ror s THR 116 CO 0.02 0.00 -0.01 0.28 -2.21 0.00 0.00 174.62 172.71 2ror s THR 117 N -3.29 1.18 -0.49 5.08 -1.32 -1.26 -2.29 115.64 113.26 2ror s THR 117 Ca 0.22 -2.05 -0.37 0.00 -1.21 0.00 0.00 61.69 58.28 2ror s THR 117 Cb -0.02 -2.43 -0.15 0.00 -1.51 0.00 0.00 72.50 68.39 2ror s THR 117 CO 0.13 -0.27 2.25 0.18 -2.21 0.00 0.00 174.62 174.70 2ror n LEU 118 N -0.49 1.47 -0.10 9.08 4.77 -1.26 -4.81 117.00 125.65 2ror n LEU 118 Ca -0.05 0.41 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 2ror n LEU 118 Cb 0.64 -1.12 -0.10 0.00 -2.33 0.00 0.00 43.42 40.50 2ror n LEU 118 CO 0.38 -0.80 -0.48 1.56 -1.33 0.00 0.00 177.39 176.72 2ror h GLN 119 N 11.71 0.00 -3.40 3.23 4.20 -1.76 -3.40 115.11 125.68 2ror h GLN 119 Ca -0.19 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.30 2ror h GLN 119 Cb 1.35 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.83 2ror h GLN 119 CO 1.10 0.89 -0.61 -0.06 -0.67 0.00 0.00 178.83 179.47 2ror s PHE 120 N -2.34 -0.12 0.00 2.96 0.08 -1.13 -4.80 117.98 112.64 2ror s PHE 120 Ca -0.27 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.12 2ror s PHE 120 Cb 0.05 -0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2ror s PHE 120 CO 0.55 -0.10 0.00 -0.35 -0.10 0.00 0.00 175.22 175.22 2ror n PRO 121 N 3.59 -0.82 0.09 0.24 -0.04 -1.26 0.11 135.00 136.90 2ror n PRO 121 Ca -0.19 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.21 2ror n PRO 121 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.12 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 -1.41 0.30 0.00 0.54 3.04 -1.43 -3.38 116.94 114.60 2ror h PHE 122 Ca 0.00 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2ror h PHE 122 Cb 0.00 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.46 2ror h PHE 122 CO 0.00 0.80 -0.29 1.63 -2.02 0.00 0.00 178.31 178.43 2ror n LYS 123 N -3.85 0.21 -3.60 1.11 5.02 -1.05 -5.04 118.16 110.97 2ror n LYS 123 Ca -0.02 0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 56.47 2ror n LYS 123 Cb 0.64 -1.08 -0.05 0.00 -0.02 0.00 0.00 35.03 34.53 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 -1.64 0.39 0.00 1.97 -1.05 -1.26 -5.13 118.70 111.99 2ror s GLU 124 Ca -0.08 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 2ror s GLU 124 Cb 0.01 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 2ror s GLU 124 CO 0.13 -0.12 0.00 -0.35 0.95 0.00 0.00 175.26 175.86 2ror n PRO 125 N 0.61 -0.54 -4.29 -4.83 -0.04 -1.26 -4.42 135.00 120.22 2ror n PRO 125 Ca -0.06 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.24 2ror n PRO 125 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 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 -2.28 1.25 -0.09 0.54 2.56 -1.26 -4.99 118.70 114.43 2ror s GLU 126 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 54.97 53.29 2ror s GLU 126 Cb 0.00 -0.42 -0.04 0.00 2.00 0.00 0.00 34.13 35.67 2ror s GLU 126 CO 0.00 -0.14 -0.13 0.36 -0.56 0.00 0.00 175.26 174.79 2ror n LYS 127 N -0.35 0.21 0.00 4.30 2.85 -1.26 -4.84 118.16 119.07 2ror n LYS 127 Ca -0.05 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 2ror n LYS 127 Cb 0.64 -0.86 0.00 0.00 -0.65 0.00 0.00 35.03 34.16 2ror n LYS 127 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2ror n ARG 128 N -3.50 0.00 -2.06 -1.58 0.63 -1.26 -4.91 116.66 103.98 2ror n ARG 128 Ca -0.18 0.52 -0.08 0.00 -0.92 0.00 0.00 57.85 57.18 2ror n ARG 128 Cb 0.59 -1.47 -0.01 0.00 0.45 0.00 0.00 32.46 32.02 2ror n ARG 128 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2ror n THR 129 N -2.00 -0.35 -4.29 5.15 -1.04 -1.26 -5.03 114.28 105.46 2ror n THR 129 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2ror n THR 129 Cb 0.00 -1.45 -0.16 0.00 -1.82 0.00 0.00 70.33 66.90 2ror n THR 129 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2ror s ILE 130 N -2.41 0.65 -0.28 12.58 -1.09 -1.26 -5.14 121.20 124.26 2ror s ILE 130 Ca 0.00 -0.27 -0.22 0.00 -2.23 0.00 0.00 60.65 57.94 2ror s ILE 130 Cb 0.00 -0.61 0.08 0.00 -1.58 0.00 0.00 42.46 40.36 2ror s ILE 130 CO 0.00 0.22 0.76 -0.55 -1.23 0.00 0.00 174.94 174.14 2ror s SER 131 N 0.38 -0.76 -0.67 3.58 0.15 -1.26 -5.11 113.70 110.01 2ror s SER 131 Ca -0.05 1.37 0.04 0.00 0.70 0.00 0.00 55.95 58.00 2ror s SER 131 Cb -0.10 1.36 0.16 0.00 -1.71 0.00 0.00 66.02 65.74 2ror s SER 131 CO 0.00 -0.23 0.45 -0.60 1.20 0.00 0.00 173.24 174.07 2ror s ARG 132 N 0.80 2.41 0.28 5.44 3.52 -1.26 -5.05 118.95 125.08 2ror s ARG 132 Ca -0.03 -3.12 -0.15 0.00 -0.13 0.00 0.00 55.73 52.30 2ror s ARG 132 Cb -0.05 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2ror s ARG 132 CO -0.07 -1.23 0.58 -1.12 -0.81 0.00 0.00 175.30 172.65 2ror s SER 133 N -0.94 -0.06 -0.70 -2.12 0.01 -1.26 -5.12 113.70 103.51 2ror s SER 133 Ca 0.23 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 56.49 2ror s SER 133 Cb -0.11 0.66 0.18 0.00 0.21 0.00 0.00 66.02 66.96 2ror s SER 133 CO -0.11 -1.27 0.59 -0.83 0.41 0.00 0.00 173.24 172.03 2ror s GLY 134 N -3.01 2.50 0.49 3.44 0.00 -1.26 -4.89 107.32 104.58 2ror s GLY 134 Ca 0.19 -3.15 0.27 0.00 0.00 0.00 0.00 44.72 42.03 2ror s GLY 134 CO 0.09 1.19 1.92 -0.56 0.00 0.00 0.00 173.10 175.74 2ror h PRO 135 N 7.71 0.00 -6.27 2.90 0.13 -2.01 -3.45 132.00 131.01 2ror h PRO 135 Ca -0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 2ror h PRO 135 Cb 1.02 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.19 2ror h PRO 135 CO 0.77 0.15 0.65 0.45 -0.23 0.00 0.00 178.00 179.80 2ror n SER 136 N -3.36 2.13 -3.72 1.44 2.88 -1.26 -4.96 113.62 106.76 2ror n SER 136 Ca -0.00 1.09 -0.14 0.00 -1.33 0.00 0.00 58.87 58.49 2ror n SER 136 Cb 0.36 -1.22 -0.14 0.00 -0.75 0.00 0.00 64.21 62.46 2ror n SER 136 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ror s SER 137 N 1.57 0.07 0.00 -3.46 1.04 -1.26 -5.19 113.70 106.46 2ror s SER 137 Ca 0.88 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2ror s SER 137 Cb -0.94 0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2ror s SER 137 CO 0.51 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.16