#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 -4.90 -3.97 1.61 2.88 -1.26 -5.01 113.62 102.97 2ror n SER 2 Ca 0.00 -0.45 -0.12 0.00 -1.33 0.00 0.00 58.87 56.96 2ror n SER 2 Cb 0.00 -4.21 -0.08 0.00 -0.75 0.00 0.00 64.21 59.17 2ror n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ror s SER 3 N -3.42 0.34 -0.24 -3.46 1.04 -1.26 -5.15 113.70 101.55 2ror s SER 3 Ca 0.39 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.45 2ror s SER 3 Cb -0.17 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.53 2ror s SER 3 CO 0.59 -0.97 0.23 -0.83 0.98 0.00 0.00 173.24 173.24 2ror s GLY 4 N -3.16 0.03 1.03 7.32 0.00 -1.26 -5.15 107.32 106.14 2ror s GLY 4 Ca 0.35 -0.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.79 2ror s GLY 4 CO 0.14 2.29 0.34 -1.14 0.00 0.00 0.00 173.10 174.72 2ror n SER 5 N 5.31 -2.03 -4.80 1.64 3.41 -1.26 -4.99 113.62 110.90 2ror n SER 5 Ca -0.05 0.12 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 2ror n SER 5 Cb 0.47 -1.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.22 2ror n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ror s SER 6 N -2.01 5.91 0.03 4.04 0.01 -1.26 -5.03 113.70 115.38 2ror s SER 6 Ca 0.58 0.33 -0.27 0.00 1.31 0.00 0.00 55.95 57.89 2ror s SER 6 Cb -0.18 -1.82 0.09 0.00 0.21 0.00 0.00 66.02 64.33 2ror s SER 6 CO 0.66 0.39 0.81 -0.83 0.41 0.00 0.00 173.24 174.68 2ror s GLY 7 N -1.02 -0.50 0.00 3.44 0.00 -1.26 -5.06 107.32 102.92 2ror s GLY 7 Ca 0.15 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.83 2ror s GLY 7 CO 0.04 0.37 0.00 0.58 0.00 0.00 0.00 173.10 174.09 2ror n LYS 8 N -0.16 1.59 -3.79 2.90 0.00 -1.26 -4.86 118.16 112.58 2ror n LYS 8 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.90 2ror n LYS 8 Cb 0.62 -0.78 -0.01 0.00 -0.00 0.00 0.00 35.03 34.85 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ror n ALA 9 N -1.57 -1.16 -2.59 0.58 0.00 -1.26 -4.88 120.51 109.63 2ror n ALA 9 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2ror n ALA 9 Cb 0.28 -3.18 -0.05 0.00 0.00 0.00 0.00 19.45 16.50 2ror n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 10 N -6.46 3.36 -0.30 0.00 0.41 -1.26 -4.96 118.70 109.49 2ror s GLU 10 Ca 0.58 -0.21 -0.15 0.00 -0.41 0.00 0.00 54.97 54.78 2ror s GLU 10 Cb -0.31 -3.98 0.17 0.00 -1.78 0.00 0.00 34.13 28.23 2ror s GLU 10 CO 0.71 -1.22 1.02 0.00 -0.49 0.00 0.00 175.26 175.28 2ror s ALA 11 N 3.40 -2.89 -0.64 5.21 0.00 -1.26 -5.12 121.76 120.46 2ror s ALA 11 Ca 0.29 1.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.97 2ror s ALA 11 Cb -0.13 -2.17 0.13 0.00 0.00 0.00 0.00 23.12 20.95 2ror s ALA 11 CO 0.21 -1.06 0.70 -2.00 0.00 0.00 0.00 175.76 173.60 2ror s GLU 12 N 2.52 3.15 -0.18 0.00 2.12 -1.26 -4.99 118.70 120.06 2ror s GLU 12 Ca -0.01 -1.60 -0.05 0.00 0.36 0.00 0.00 54.97 53.67 2ror s GLU 12 Cb -0.07 -4.35 0.07 0.00 0.26 0.00 0.00 34.13 30.05 2ror s GLU 12 CO -0.16 -1.48 0.14 -0.65 -0.54 0.00 0.00 175.26 172.57 2ror s GLN 13 N 2.09 0.10 -0.65 4.30 -0.21 -1.26 -5.09 119.66 118.94 2ror s GLN 13 Ca 0.12 0.04 -0.05 0.00 0.02 0.00 0.00 55.36 55.48 2ror s GLN 13 Cb -0.22 -1.57 0.17 0.00 1.00 0.00 0.00 33.01 32.39 2ror s GLN 13 CO 0.02 -0.65 0.49 -0.80 -2.12 0.00 0.00 175.29 172.22 2ror s ASN 14 N 2.21 5.53 -0.65 5.90 0.01 -1.26 -4.93 114.94 121.75 2ror s ASN 14 Ca 0.04 -2.75 -0.00 0.00 -0.71 0.00 0.00 52.86 49.43 2ror s ASN 14 Cb -0.16 -1.92 0.42 0.00 0.41 0.00 0.00 41.25 40.00 2ror s ASN 14 CO -0.10 -0.43 1.83 0.79 -1.51 0.00 0.00 177.10 177.69 2ror n TRP 15 N 3.68 3.11 -3.13 2.20 7.02 -1.26 -4.99 117.44 124.06 2ror n TRP 15 Ca 0.08 -2.71 -0.18 0.00 -1.02 0.00 0.00 57.50 53.67 2ror n TRP 15 Cb 0.40 -1.09 0.01 0.00 -2.42 0.00 0.00 31.31 28.20 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 -3.85 2.88 -0.50 -5.99 -2.14 -1.26 -5.09 118.94 102.99 2ror s TRP 16 Ca 0.57 -0.36 0.04 0.00 2.66 0.00 0.00 56.10 59.01 2ror s TRP 16 Cb 0.46 -2.29 0.16 0.00 -3.10 0.00 0.00 33.47 28.71 2ror s TRP 16 CO -0.15 -0.32 0.37 -1.21 -2.66 0.00 0.00 176.95 172.98 2ror s GLU 17 N -4.30 1.38 -0.60 3.25 2.02 -1.26 -4.96 118.70 114.23 2ror s GLU 17 Ca 0.53 -2.41 -0.14 0.00 0.02 0.00 0.00 54.97 52.96 2ror s GLU 17 Cb -0.10 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.05 2ror s GLU 17 CO 0.32 -1.32 0.64 0.41 0.02 0.00 0.00 175.26 175.33 2ror n GLY 18 N 2.74 -0.94 3.76 -1.39 0.00 -1.26 -4.91 105.19 103.20 2ror n GLY 18 Ca 0.23 0.90 -0.41 0.00 0.00 0.00 0.00 46.02 46.74 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 -3.19 4.46 0.95 1.61 0.04 -1.26 -5.04 135.00 132.57 2ror s PRO 19 Ca 0.16 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 2ror s PRO 19 Cb -0.03 -3.12 0.24 0.00 0.04 0.00 0.00 34.50 31.62 2ror s PRO 19 CO 0.82 -0.05 0.84 -0.35 0.04 0.00 0.00 177.00 178.30 2ror n PRO 20 N 1.09 -2.67 -1.16 0.56 -0.04 -1.26 -4.88 135.00 126.64 2ror n PRO 20 Ca 0.00 -1.34 -0.41 0.00 -0.04 0.00 0.00 63.50 61.70 2ror n PRO 20 Cb 0.43 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 -4.08 0.00 -3.58 0.54 -0.06 -1.26 -4.95 117.38 103.98 2ror n GLN 21 Ca 0.12 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 55.04 2ror n GLN 21 Cb 0.45 -0.93 -0.04 0.00 -4.06 0.00 0.00 30.24 25.67 2ror n GLN 21 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2ror s ASP 22 N -0.58 -0.25 0.60 1.69 -1.08 -1.26 -4.99 116.67 110.79 2ror s ASP 22 Ca 0.58 0.19 0.31 0.00 -0.52 0.00 0.00 52.55 53.11 2ror s ASP 22 Cb -0.83 0.22 1.09 0.00 -1.46 0.00 0.00 42.92 41.94 2ror s ASP 22 CO 0.46 -0.29 1.39 -0.07 0.52 0.00 0.00 175.17 177.17 2ror h LEU 23 N 2.27 0.00 -0.89 -1.34 3.38 -1.95 0.17 115.31 116.94 2ror h LEU 23 Ca -0.15 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.07 2ror h LEU 23 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2ror h LEU 23 CO 0.27 0.00 0.26 0.28 0.09 0.00 0.00 178.44 179.35 2ror h SER 24 N 0.00 0.04 -1.16 -0.43 0.02 -1.94 0.34 113.55 110.41 2ror h SER 24 Ca 0.54 0.20 0.39 0.00 -0.84 0.00 0.00 61.79 62.08 2ror h SER 24 Cb 2.94 0.26 -0.14 0.00 0.14 0.00 0.00 62.40 65.59 2ror h SER 24 CO -0.01 -0.16 0.71 -0.37 -1.14 0.00 0.00 176.83 175.86 2ror h VAL 25 N 0.21 0.17 -4.09 2.27 -1.51 -1.04 -3.40 116.25 108.86 2ror h VAL 25 Ca 0.57 -0.05 -0.48 0.00 -1.23 0.00 0.00 66.70 65.51 2ror h VAL 25 Cb 1.17 0.01 0.04 0.00 -2.13 0.00 0.00 31.29 30.38 2ror h VAL 25 CO -0.66 0.03 0.40 -1.00 -1.23 0.00 0.00 177.57 175.10 2ror s HIS 26 N -5.44 2.91 -1.42 5.19 4.02 0.12 -4.90 115.29 115.76 2ror s HIS 26 Ca -0.09 1.56 0.08 0.00 1.02 0.00 0.00 55.06 57.63 2ror s HIS 26 Cb 0.30 -3.11 0.39 0.00 -1.02 0.00 0.00 32.58 29.14 2ror s HIS 26 CO 0.80 -1.05 1.11 1.28 1.02 0.00 0.00 174.74 177.91 2ror n LEU 27 N -1.18 0.00 -3.87 0.89 4.77 -1.26 -4.48 117.00 111.87 2ror n LEU 27 Ca 0.10 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 2ror n LEU 27 Cb 0.52 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 41.16 2ror n LEU 27 CO 0.41 -0.21 -0.40 -1.66 -1.33 0.00 0.00 177.39 174.20 2ror s TRP 28 N -2.58 0.71 -0.06 -1.77 1.48 -1.26 -1.50 118.94 113.96 2ror s TRP 28 Ca 0.07 -0.19 -0.13 0.00 -1.06 0.00 0.00 56.10 54.79 2ror s TRP 28 Cb 0.05 -0.68 0.03 0.00 -1.16 0.00 0.00 33.47 31.71 2ror s TRP 28 CO 0.12 -0.22 0.30 -0.47 -4.06 0.00 0.00 176.95 172.63 2ror s TYR 29 N 1.12 -0.24 -0.26 1.66 5.04 -1.26 -4.67 117.35 118.73 2ror s TYR 29 Ca -0.08 0.51 -0.03 0.00 -2.44 0.00 0.00 57.07 55.03 2ror s TYR 29 Cb -0.14 0.10 0.14 0.00 0.35 0.00 0.00 41.96 42.41 2ror s TYR 29 CO -0.01 -0.29 0.44 0.00 -1.34 0.00 0.00 175.55 174.36 2ror s ALA 30 N -0.66 -1.41 0.80 3.97 0.00 0.40 -4.67 121.76 120.19 2ror s ALA 30 Ca -0.08 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2ror s ALA 30 Cb -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2ror s ALA 30 CO 0.02 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.96 2ror n GLY 31 N 5.39 -1.45 0.00 0.00 0.00 -1.26 -3.45 105.19 104.42 2ror n GLY 31 Ca -0.04 -1.18 0.04 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 -0.84 1.61 -0.04 -1.26 -3.22 135.00 131.74 2ror n PRO 32 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2ror n PRO 32 Cb 0.00 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 -0.77 0.00 -2.17 0.54 1.56 -1.26 -4.93 117.12 110.09 2ror n MET 33 Ca 0.06 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.22 2ror n MET 33 Cb 0.03 -0.61 0.18 0.00 2.15 0.00 0.00 33.22 34.96 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 -0.61 0.75 0.05 2.12 -1.05 -1.26 -4.85 118.70 113.85 2ror s GLU 34 Ca 0.38 -0.77 -0.19 0.00 -0.15 0.00 0.00 54.97 54.24 2ror s GLU 34 Cb -0.51 -2.00 -0.08 0.00 -0.44 0.00 0.00 34.13 31.11 2ror s GLU 34 CO 0.36 -2.24 1.29 -0.09 0.95 0.00 0.00 175.26 175.53 2ror h ARG 35 N -1.37 -0.43 -0.91 -4.83 9.65 -2.00 -1.81 114.38 112.68 2ror h ARG 35 Ca -0.41 0.03 0.23 0.00 -1.10 0.00 0.00 59.98 58.73 2ror h ARG 35 Cb 1.23 0.10 -0.13 0.00 -1.39 0.00 0.00 29.97 29.78 2ror h ARG 35 CO 0.34 -0.29 0.40 0.00 2.80 0.00 0.00 179.97 183.22 2ror h ALA 36 N -1.11 1.48 -0.84 2.80 0.00 -1.94 0.32 119.26 119.97 2ror h ALA 36 Ca -0.01 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2ror h ALA 36 Cb 0.42 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2ror h ALA 36 CO -0.12 -0.37 0.55 0.78 0.00 0.00 0.00 179.25 180.09 2ror h GLY 37 N 0.38 1.18 0.30 0.00 0.00 -1.73 -1.19 103.07 102.02 2ror h GLY 37 Ca 0.58 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 2ror h GLY 37 CO -0.55 0.25 -0.39 0.00 0.00 0.00 0.00 176.54 175.85 2ror h ALA 38 N 1.55 -0.03 -0.04 3.60 0.00 0.31 -3.26 119.26 121.40 2ror h ALA 38 Ca 0.37 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2ror h ALA 38 Cb 0.27 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2ror h ALA 38 CO -0.14 0.19 -0.41 0.93 0.00 0.00 0.00 179.25 179.82 2ror h GLU 39 N -0.73 -0.52 -0.91 0.00 5.08 -0.65 -0.97 114.58 115.89 2ror h GLU 39 Ca -0.07 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 2ror h GLU 39 Cb 1.29 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.54 2ror h GLU 39 CO 0.06 -0.35 0.46 1.03 -1.00 0.00 0.00 179.01 179.21 2ror h SER 40 N -0.54 0.47 0.16 1.42 0.87 -1.38 1.91 113.55 116.46 2ror h SER 40 Ca 0.06 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2ror h SER 40 Cb 0.63 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2ror h SER 40 CO -0.33 0.08 -0.08 0.40 -0.53 0.00 0.00 176.83 176.37 2ror h ILE 41 N 0.50 0.87 -0.00 2.23 2.04 -1.27 0.24 117.51 122.13 2ror h ILE 41 Ca 0.56 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2ror h ILE 41 Cb 1.00 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2ror h ILE 41 CO -0.48 0.03 -0.06 0.18 0.00 0.00 0.00 178.15 177.83 2ror n LEU 42 N -5.15 0.22 -0.04 1.44 4.77 -0.39 -2.31 117.00 115.54 2ror n LEU 42 Ca -0.09 0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.84 2ror n LEU 42 Cb 0.14 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 2ror n LEU 42 CO 0.34 0.04 -0.81 0.00 -1.33 0.00 0.00 177.39 175.63 2ror n ALA 43 N -1.15 0.92 0.11 -1.18 0.00 0.64 -4.39 120.51 115.45 2ror n ALA 43 Ca 0.14 -0.63 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 2ror n ALA 43 Cb 0.26 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 2ror n ALA 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ror h ASN 44 N -0.23 0.65 -2.58 0.00 2.35 -0.61 -3.46 115.58 111.68 2ror h ASN 44 Ca -0.43 -0.66 -0.27 0.00 -0.55 0.00 0.00 56.30 54.39 2ror h ASN 44 Cb 1.83 -0.21 0.14 0.00 0.05 0.00 0.00 38.32 40.14 2ror h ASN 44 CO -0.02 1.50 -0.01 0.54 -1.65 0.00 0.00 177.43 177.79 2ror n ARG 45 N -3.65 -3.22 -1.83 0.81 3.00 -0.98 -4.97 116.66 105.82 2ror n ARG 45 Ca -0.12 -1.12 -0.34 0.00 -0.01 0.00 0.00 57.85 56.26 2ror n ARG 45 Cb 1.03 -1.22 0.04 0.00 0.00 0.00 0.00 32.46 32.31 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 -3.19 5.09 -0.14 0.55 0.01 -1.26 -4.92 113.70 109.84 2ror s SER 46 Ca 0.48 2.12 -0.29 0.00 1.31 0.00 0.00 55.95 59.57 2ror s SER 46 Cb -0.06 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2ror s SER 46 CO 0.38 -1.65 1.86 1.51 0.41 0.00 0.00 173.24 175.76 2ror s ASP 47 N -2.25 6.18 0.00 2.44 1.47 -1.26 -2.58 116.67 120.68 2ror s ASP 47 Ca 0.70 2.00 0.00 0.00 1.18 0.00 0.00 52.55 56.43 2ror s ASP 47 Cb -0.23 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 39.82 2ror s ASP 47 CO 0.38 -1.36 0.00 0.61 0.68 0.00 0.00 175.17 175.48 2ror n GLY 48 N 4.87 1.35 3.77 2.12 0.00 -0.90 -4.96 105.19 111.45 2ror n GLY 48 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 3.26 0.28 2.61 2.01 -1.06 -2.27 115.64 118.47 2ror s THR 49 Ca 0.00 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.36 2ror s THR 49 Cb 0.00 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2ror s THR 49 CO 0.00 -0.47 0.52 0.72 -0.69 0.00 0.00 174.62 174.71 2ror s PHE 50 N -2.67 0.44 0.13 4.92 -0.71 0.23 -1.46 117.98 118.87 2ror s PHE 50 Ca 0.64 -0.81 -0.24 0.00 -1.04 0.00 0.00 56.93 55.47 2ror s PHE 50 Cb -0.19 0.24 0.08 0.00 -1.21 0.00 0.00 43.02 41.94 2ror s PHE 50 CO 0.50 -1.10 1.08 -0.48 -1.34 0.00 0.00 175.22 173.89 2ror s LEU 51 N -3.06 -0.03 -0.21 -1.99 0.05 -0.96 -1.93 118.68 110.55 2ror s LEU 51 Ca 0.23 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.90 2ror s LEU 51 Cb -0.01 1.93 0.04 0.00 -2.05 0.00 0.00 46.19 46.09 2ror s LEU 51 CO 0.11 -0.82 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.27 2ror s VAL 52 N -2.33 1.87 0.19 1.48 1.01 -1.26 -2.76 120.40 118.60 2ror s VAL 52 Ca 0.21 -1.15 0.10 0.00 0.00 0.00 0.00 61.98 61.14 2ror s VAL 52 Cb -0.01 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2ror s VAL 52 CO 0.03 0.21 -0.14 0.00 0.00 0.00 0.00 175.10 175.20 2ror s ARG 53 N 1.30 1.89 0.13 2.72 1.70 0.49 -0.45 118.95 126.73 2ror s ARG 53 Ca -0.02 -1.38 0.05 0.00 -0.47 0.00 0.00 55.73 53.92 2ror s ARG 53 Cb -0.16 -2.04 -0.04 0.00 -0.57 0.00 0.00 34.95 32.13 2ror s ARG 53 CO -0.09 0.41 0.04 -1.14 -1.08 0.00 0.00 175.30 173.45 2ror s GLN 54 N -2.86 2.64 0.45 3.89 0.74 -1.20 0.18 119.66 123.50 2ror s GLN 54 Ca 0.24 -0.89 0.01 0.00 0.05 0.00 0.00 55.36 54.77 2ror s GLN 54 Cb -0.08 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.48 2ror s GLN 54 CO 0.14 0.51 0.66 0.50 -0.55 0.00 0.00 175.29 176.55 2ror s ARG 55 N -2.68 3.01 -0.12 1.67 3.52 -0.43 -4.62 118.95 119.30 2ror s ARG 55 Ca 0.28 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.29 2ror s ARG 55 Cb -0.11 -2.58 -0.25 0.00 -1.56 0.00 0.00 34.95 30.46 2ror s ARG 55 CO 0.20 -0.29 0.35 1.33 -0.81 0.00 0.00 175.30 176.08 2ror n VAL 56 N -2.06 1.71 -0.21 7.11 0.24 -1.26 -4.38 118.33 119.46 2ror n VAL 56 Ca 0.02 -0.68 -0.09 0.00 -2.04 0.00 0.00 64.34 61.54 2ror n VAL 56 Cb 0.58 -1.52 -0.05 0.00 -1.47 0.00 0.00 33.84 31.37 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2ror h LYS 57 N 0.05 -0.23 -4.22 7.34 1.57 -1.99 -3.37 116.57 115.72 2ror h LYS 57 Ca -0.42 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 57.81 2ror h LYS 57 Cb 2.02 0.05 -0.38 0.00 0.08 0.00 0.00 32.23 34.01 2ror h LYS 57 CO 0.07 -0.15 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.49 2ror s ASP 58 N -5.17 3.07 0.31 0.86 1.11 -1.26 -5.01 116.67 110.58 2ror s ASP 58 Ca -0.14 -0.78 0.02 0.00 0.18 0.00 0.00 52.55 51.83 2ror s ASP 58 Cb 0.12 -0.99 0.77 0.00 1.07 0.00 0.00 42.92 43.90 2ror s ASP 58 CO 0.65 -0.19 1.57 0.00 1.18 0.00 0.00 175.17 178.38 2ror h ALA 59 N 8.08 1.19 -0.14 5.23 0.00 -1.77 -1.56 119.26 130.30 2ror h ALA 59 Ca -0.23 0.35 -0.69 0.00 0.00 0.00 0.00 54.91 54.33 2ror h ALA 59 Cb 1.10 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2ror h ALA 59 CO 0.41 -0.58 3.38 0.00 0.00 0.00 0.00 179.25 182.46 2ror n ALA 60 N -3.14 6.84 -3.69 0.00 0.00 -1.26 -4.76 120.51 114.50 2ror n ALA 60 Ca 0.24 -3.74 -0.13 0.00 0.00 0.00 0.00 53.44 49.81 2ror n ALA 60 Cb 0.77 -3.32 -0.13 0.00 0.00 0.00 0.00 19.45 16.78 2ror n ALA 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ror s GLU 61 N 1.89 0.19 0.34 0.00 2.56 -0.59 -4.55 118.70 118.53 2ror s GLU 61 Ca 0.60 0.66 0.09 0.00 0.00 0.00 0.00 54.97 56.33 2ror s GLU 61 Cb 0.17 -0.06 -0.06 0.00 2.00 0.00 0.00 34.13 36.18 2ror s GLU 61 CO -0.07 -0.22 -0.01 -0.06 -0.56 0.00 0.00 175.26 174.33 2ror s PHE 62 N 1.87 2.52 -0.15 5.30 0.08 -1.24 -1.31 117.98 125.05 2ror s PHE 62 Ca -0.04 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 2ror s PHE 62 Cb -0.11 -1.44 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 2ror s PHE 62 CO -0.09 0.51 0.39 0.00 -0.10 0.00 0.00 175.22 175.93 2ror s ALA 63 N -2.53 -0.96 -0.38 5.36 0.00 0.48 -0.08 121.76 123.66 2ror s ALA 63 Ca 0.34 1.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 2ror s ALA 63 Cb -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2ror s ALA 63 CO 0.19 -0.20 0.24 0.42 0.00 0.00 0.00 175.76 176.41 2ror s ILE 64 N 0.47 4.95 -0.26 0.00 1.01 -0.81 -0.38 121.20 126.19 2ror s ILE 64 Ca -0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 2ror s ILE 64 Cb -0.04 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2ror s ILE 64 CO -0.02 -0.20 0.06 -0.55 0.00 0.00 0.00 174.94 174.22 2ror s SER 65 N 1.63 5.02 0.02 3.58 0.15 -1.11 -1.53 113.70 121.47 2ror s SER 65 Ca 0.04 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.41 2ror s SER 65 Cb -0.19 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.22 2ror s SER 65 CO 0.08 -0.07 -0.14 -0.51 1.20 0.00 0.00 173.24 173.81 2ror s ILE 66 N 1.58 1.09 -0.12 6.45 -1.16 -0.18 -2.26 121.20 126.60 2ror s ILE 66 Ca 0.06 -0.81 -0.22 0.00 -0.51 0.00 0.00 60.65 59.17 2ror s ILE 66 Cb -0.15 -0.96 -0.03 0.00 0.61 0.00 0.00 42.46 41.93 2ror s ILE 66 CO 0.02 0.14 0.66 -0.75 -2.81 0.00 0.00 174.94 172.20 2ror s LYS 67 N -0.77 4.34 -0.21 3.50 2.47 -0.53 -0.34 119.74 128.20 2ror s LYS 67 Ca 0.03 0.75 -0.28 0.00 -1.56 0.00 0.00 55.97 54.92 2ror s LYS 67 Cb -0.07 -3.50 0.11 0.00 -1.46 0.00 0.00 37.83 32.91 2ror s LYS 67 CO 0.00 -0.06 0.93 -0.47 0.16 0.00 0.00 175.35 175.92 2ror s TYR 68 N 1.26 -0.51 -0.91 4.03 5.04 0.40 -2.11 117.35 124.54 2ror s TYR 68 Ca 0.33 1.08 -0.00 0.00 -2.44 0.00 0.00 57.07 56.04 2ror s TYR 68 Cb -0.17 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.53 2ror s TYR 68 CO 0.14 -0.34 0.76 -1.71 -1.34 0.00 0.00 175.55 173.06 2ror n ASN 69 N 1.59 -2.21 -1.91 4.32 4.05 -1.26 -2.36 115.26 117.48 2ror n ASN 69 Ca -0.13 -0.46 -0.09 0.00 0.45 0.00 0.00 54.58 54.35 2ror n ASN 69 Cb 0.57 -3.99 -0.02 0.00 1.23 0.00 0.00 39.78 37.57 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 -3.41 -0.23 -3.67 3.44 0.24 -1.26 -4.87 118.33 108.57 2ror n VAL 70 Ca -0.21 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.95 2ror n VAL 70 Cb 0.62 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.86 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 -3.99 0.78 -0.23 7.34 0.41 -1.00 -5.14 118.70 116.88 2ror s GLU 71 Ca 0.00 0.13 -0.20 0.00 -0.41 0.00 0.00 54.97 54.49 2ror s GLU 71 Cb 0.00 0.36 -0.02 0.00 -1.78 0.00 0.00 34.13 32.69 2ror s GLU 71 CO 0.00 -0.21 0.59 0.08 -0.49 0.00 0.00 175.26 175.23 2ror s VAL 72 N -0.97 5.03 0.21 2.63 1.01 -1.26 -0.46 120.40 126.59 2ror s VAL 72 Ca -0.10 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2ror s VAL 72 Cb -0.03 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2ror s VAL 72 CO 0.05 0.09 0.29 -0.54 0.00 0.00 0.00 175.10 174.99 2ror s LYS 73 N 2.12 3.31 0.02 2.72 -0.14 0.53 -4.96 119.74 123.34 2ror s LYS 73 Ca 0.26 -0.77 -0.05 0.00 -1.36 0.00 0.00 55.97 54.05 2ror s LYS 73 Cb -0.16 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.15 2ror s LYS 73 CO 0.09 0.46 0.08 -1.01 -0.76 0.00 0.00 175.35 174.21 2ror s HIS 74 N -1.91 0.18 0.00 3.18 3.76 -1.26 -1.01 115.29 118.24 2ror s HIS 74 Ca 0.34 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.85 2ror s HIS 74 Cb -0.10 -0.13 -0.01 0.00 1.11 0.00 0.00 32.58 33.45 2ror s HIS 74 CO 0.28 -0.31 -0.08 0.42 -0.85 0.00 0.00 174.74 174.20 2ror s ILE 75 N -2.06 0.60 -0.30 0.60 1.01 -0.58 -4.96 121.20 115.50 2ror s ILE 75 Ca -0.10 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 2ror s ILE 75 Cb -0.05 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 2ror s ILE 75 CO -0.02 0.08 0.52 -0.75 0.00 0.00 0.00 174.94 174.77 2ror s LYS 76 N -0.41 3.87 -0.06 2.79 2.20 -1.26 -1.93 119.74 124.94 2ror s LYS 76 Ca 0.01 0.11 -0.15 0.00 -0.36 0.00 0.00 55.97 55.59 2ror s LYS 76 Cb -0.04 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 2ror s LYS 76 CO -0.00 -0.49 0.39 0.42 -0.36 0.00 0.00 175.35 175.31 2ror s ILE 77 N 2.37 5.13 0.53 5.43 1.01 0.88 -4.63 121.20 131.92 2ror s ILE 77 Ca 0.20 0.79 0.02 0.00 0.00 0.00 0.00 60.65 61.66 2ror s ILE 77 Cb -0.15 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.64 2ror s ILE 77 CO 0.11 0.50 0.74 -0.04 0.00 0.00 0.00 174.94 176.25 2ror s MET 78 N -0.46 2.62 -0.17 2.79 -1.94 0.71 -3.72 119.30 119.13 2ror s MET 78 Ca 0.23 -0.81 -0.04 0.00 -1.71 0.00 0.00 55.69 53.35 2ror s MET 78 Cb -0.16 -2.53 0.08 0.00 2.01 0.00 0.00 34.83 34.24 2ror s MET 78 CO 0.11 -0.63 0.28 0.95 -0.01 0.00 0.00 175.02 175.72 2ror s THR 79 N -2.70 -0.43 -0.23 2.05 -4.23 -1.26 -2.85 115.64 106.00 2ror s THR 79 Ca 0.56 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 2ror s THR 79 Cb -0.10 -0.56 0.05 0.00 1.34 0.00 0.00 72.50 73.22 2ror s THR 79 CO 0.38 0.00 -0.13 0.00 -0.54 0.00 0.00 174.62 174.33 2ror s ALA 80 N 2.42 2.41 -1.56 3.99 0.00 -1.22 -4.77 121.76 123.04 2ror s ALA 80 Ca 0.04 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.42 2ror s ALA 80 Cb -0.13 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.60 2ror s ALA 80 CO -0.11 -0.91 0.28 0.39 0.00 0.00 0.00 175.76 175.41 2ror n GLU 81 N 4.52 -1.90 -1.14 0.00 -0.58 -1.26 0.29 120.64 120.58 2ror n GLU 81 Ca -0.16 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2ror n GLU 81 Cb 0.45 -4.17 0.00 0.00 -0.57 0.00 0.00 31.44 27.15 2ror n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ror n GLY 82 N -2.10 0.53 3.72 0.62 0.00 -1.26 -5.06 105.19 101.63 2ror n GLY 82 Ca -0.23 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.66 0.99 4.77 0.15 -4.71 117.00 114.54 2ror n LEU 83 Ca 0.00 -2.58 -0.06 0.00 -0.03 0.00 0.00 56.01 53.33 2ror n LEU 83 Cb 0.15 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2ror n LEU 83 CO 0.00 -0.64 0.15 -0.31 -1.33 0.00 0.00 177.39 175.26 2ror s TYR 84 N -2.55 -0.96 -0.20 -1.77 1.51 -1.16 -3.41 117.35 108.80 2ror s TYR 84 Ca 0.45 1.81 -0.27 0.00 -1.01 0.00 0.00 57.07 58.06 2ror s TYR 84 Cb -0.04 0.50 0.07 0.00 -0.11 0.00 0.00 41.96 42.38 2ror s TYR 84 CO 0.29 -0.52 0.71 -0.98 -1.11 0.00 0.00 175.55 173.94 2ror s ARG 85 N 2.32 0.91 -0.00 -0.62 1.70 -1.13 -1.16 118.95 120.97 2ror s ARG 85 Ca -0.06 0.76 0.12 0.00 -0.47 0.00 0.00 55.73 56.08 2ror s ARG 85 Cb -0.10 0.44 -0.14 0.00 -0.57 0.00 0.00 34.95 34.57 2ror s ARG 85 CO -0.16 -0.17 0.48 0.44 -1.08 0.00 0.00 175.30 174.81 2ror n ILE 86 N 2.12 0.00 -4.36 4.99 -6.64 -1.26 -0.20 119.36 114.00 2ror n ILE 86 Ca -0.16 -0.22 -0.18 0.00 -1.77 0.00 0.00 62.75 60.42 2ror n ILE 86 Cb 0.56 0.89 -0.10 0.00 -1.44 0.00 0.00 39.64 39.54 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 -2.24 1.15 0.02 7.28 -4.23 -1.26 -4.95 115.64 111.42 2ror s THR 87 Ca 0.03 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 2ror s THR 87 Cb 0.09 -2.44 -0.25 0.00 1.34 0.00 0.00 72.50 71.25 2ror s THR 87 CO 0.50 -0.26 0.92 1.05 -0.54 0.00 0.00 174.62 176.29 2ror h GLU 88 N 2.38 0.12 -0.02 3.99 4.11 -2.04 -3.37 114.58 119.76 2ror h GLU 88 Ca -0.39 -0.20 -0.06 0.00 0.07 0.00 0.00 59.36 58.78 2ror h GLU 88 Cb 1.23 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2ror h GLU 88 CO 0.66 0.93 -0.20 0.87 0.07 0.00 0.00 179.01 181.34 2ror h LYS 89 N 0.03 0.17 -6.22 1.06 1.57 -2.03 -3.45 116.57 107.69 2ror h LYS 89 Ca -0.19 -0.16 -0.57 0.00 -1.87 0.00 0.00 60.65 57.86 2ror h LYS 89 Cb 1.95 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.26 2ror h LYS 89 CO 0.13 0.86 -0.27 0.21 -0.57 0.00 0.00 179.45 179.81 2ror s LYS 90 N -3.34 3.64 -0.20 3.15 2.47 -1.26 -5.10 119.74 119.10 2ror s LYS 90 Ca -0.16 -0.04 -0.17 0.00 -1.56 0.00 0.00 55.97 54.05 2ror s LYS 90 Cb 0.01 -2.81 0.06 0.00 -1.46 0.00 0.00 37.83 33.63 2ror s LYS 90 CO 0.73 0.43 0.52 0.00 0.16 0.00 0.00 175.35 177.20 2ror s ALA 91 N -1.71 -1.32 0.46 3.13 0.00 -1.26 -4.18 121.76 116.88 2ror s ALA 91 Ca 0.42 1.59 0.05 0.00 0.00 0.00 0.00 51.96 54.02 2ror s ALA 91 Cb -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2ror s ALA 91 CO 0.24 -0.27 0.12 -0.06 0.00 0.00 0.00 175.76 175.80 2ror s PHE 92 N 0.61 2.23 -0.17 0.00 0.40 -0.31 -5.03 117.98 115.72 2ror s PHE 92 Ca -0.03 -0.75 0.11 0.00 -0.60 0.00 0.00 56.93 55.66 2ror s PHE 92 Cb -0.05 -1.81 -0.18 0.00 0.51 0.00 0.00 43.02 41.49 2ror s PHE 92 CO -0.04 0.17 -0.01 2.89 0.70 0.00 0.00 175.22 178.93 2ror n ARG 93 N -1.26 1.14 -4.12 0.44 -4.01 -1.26 -2.98 116.66 104.60 2ror n ARG 93 Ca -0.07 0.03 -0.13 0.00 -1.04 0.00 0.00 57.85 56.63 2ror n ARG 93 Cb 0.66 -1.41 -0.11 0.00 -3.04 0.00 0.00 32.46 28.56 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 2ror s GLY 94 N -5.26 0.67 0.13 2.89 0.00 -1.26 -4.23 107.32 100.27 2ror s GLY 94 Ca -0.13 -1.01 -0.17 0.00 0.00 0.00 0.00 44.72 43.40 2ror s GLY 94 CO 0.61 -1.07 1.72 -2.00 0.00 0.00 0.00 173.10 172.36 2ror h LEU 95 N 3.95 0.41 -0.43 0.66 5.85 -1.91 -2.38 115.31 121.45 2ror h LEU 95 Ca -0.37 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2ror h LEU 95 Cb 1.19 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 2ror h LEU 95 CO 0.48 0.39 -0.05 0.74 -0.34 0.00 0.00 178.44 179.66 2ror h THR 96 N 0.40 0.62 -0.38 1.05 2.02 -1.99 -1.53 112.91 113.10 2ror h THR 96 Ca 0.11 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.30 2ror h THR 96 Cb 0.07 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2ror h THR 96 CO -0.02 0.01 0.21 -0.33 0.37 0.00 0.00 175.52 175.76 2ror h GLU 97 N 0.05 0.41 -0.56 6.66 4.39 -1.93 0.21 114.58 123.81 2ror h GLU 97 Ca 0.21 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 60.00 2ror h GLU 97 Cb 0.32 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2ror h GLU 97 CO -0.40 0.27 0.38 1.25 -1.16 0.00 0.00 179.01 179.35 2ror h LEU 98 N 0.42 0.25 0.00 1.33 6.46 -0.80 0.14 115.31 123.10 2ror h LEU 98 Ca 0.15 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2ror h LEU 98 Cb 0.03 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2ror h LEU 98 CO -0.09 0.14 -0.18 0.58 -0.62 0.00 0.00 178.44 178.27 2ror h VAL 99 N 0.27 1.07 0.00 1.05 2.07 -0.36 -2.99 116.25 117.36 2ror h VAL 99 Ca 0.26 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2ror h VAL 99 Cb 0.68 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2ror h VAL 99 CO -0.06 0.36 0.00 -0.62 0.02 0.00 0.00 177.57 177.28 2ror n GLU 100 N -4.64 0.09 -0.09 1.57 1.02 0.63 -2.16 120.64 117.07 2ror n GLU 100 Ca -0.10 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.04 2ror n GLU 100 Cb 0.35 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.28 0.62 -0.14 -0.32 7.35 0.46 -4.32 117.46 119.82 2ror n PHE 101 Ca 0.03 0.18 0.04 0.00 -0.76 0.00 0.00 57.45 56.94 2ror n PHE 101 Cb 0.05 -1.07 0.34 0.00 0.35 0.00 0.00 39.48 39.15 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 -0.44 0.75 0.00 -5.13 0.05 -1.28 -0.64 116.97 110.29 2ror h TYR 102 Ca -0.51 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2ror h TYR 102 Cb 1.74 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 39.22 2ror h TYR 102 CO 0.03 0.44 0.34 1.96 -1.05 0.00 0.00 178.16 179.89 2ror h GLN 103 N 0.79 0.00 0.00 4.88 4.20 -1.72 0.06 115.11 123.32 2ror h GLN 103 Ca 0.26 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.78 2ror h GLN 103 Cb 0.06 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2ror h GLN 103 CO -0.07 0.00 -1.77 1.04 -0.67 0.00 0.00 178.83 177.36 2ror n GLN 104 N -2.73 1.97 -3.74 1.46 3.00 -0.33 -4.87 117.38 112.15 2ror n GLN 104 Ca -0.02 -0.02 -0.38 0.00 -0.01 0.00 0.00 57.00 56.58 2ror n GLN 104 Cb 0.38 -1.29 -0.12 0.00 0.00 0.00 0.00 30.24 29.20 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 -4.32 5.29 0.11 1.08 0.01 0.01 -5.06 114.94 112.05 2ror s ASN 105 Ca -0.06 -1.01 -0.34 0.00 -0.71 0.00 0.00 52.86 50.74 2ror s ASN 105 Cb 0.04 -1.88 -0.14 0.00 0.41 0.00 0.00 41.25 39.68 2ror s ASN 105 CO 0.47 -0.29 1.58 -1.20 -1.51 0.00 0.00 177.10 176.15 2ror n SER 106 N 4.84 2.92 0.15 -1.22 7.64 -1.26 -4.53 113.62 122.17 2ror n SER 106 Ca -0.13 1.08 0.09 0.00 1.01 0.00 0.00 58.87 60.91 2ror n SER 106 Cb 0.46 -1.38 0.48 0.00 -1.01 0.00 0.00 64.21 62.75 2ror n SER 106 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ror n LEU 107 N 3.70 0.46 0.17 -3.43 4.32 -1.21 -1.45 117.00 119.56 2ror n LEU 107 Ca 0.18 0.68 0.16 0.00 -0.02 0.00 0.00 56.01 57.01 2ror n LEU 107 Cb 0.27 -0.70 0.77 0.00 -1.62 0.00 0.00 43.42 42.14 2ror n LEU 107 CO 0.65 -0.83 1.14 0.07 -1.22 0.00 0.00 177.39 177.20 2ror h LYS 108 N 0.00 0.00 -0.23 3.23 2.10 -1.26 0.66 116.57 121.07 2ror h LYS 108 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2ror h LYS 108 Cb 0.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.51 2ror h LYS 108 CO 0.00 0.00 0.11 0.22 -2.00 0.00 0.00 179.45 177.78 2ror h ASP 109 N 0.00 0.15 0.00 7.07 1.82 -1.54 -2.76 116.42 121.15 2ror h ASP 109 Ca 0.10 0.01 -0.27 0.00 -0.39 0.00 0.00 57.03 56.49 2ror h ASP 109 Cb 0.51 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 2ror h ASP 109 CO -0.00 0.12 -1.64 0.00 -1.61 0.00 0.00 179.24 176.11 2ror n PHE 111 N -4.39 2.60 -0.31 0.00 3.72 0.22 -4.86 117.46 114.45 2ror n PHE 111 Ca -0.36 -2.73 0.26 0.00 -0.05 0.00 0.00 57.45 54.58 2ror n PHE 111 Cb 0.69 -1.32 0.45 0.00 -0.94 0.00 0.00 39.48 38.36 2ror n PHE 111 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2ror n LYS 112 N 1.53 -0.03 0.06 -1.08 2.85 -1.04 0.15 118.16 120.61 2ror n LYS 112 Ca 0.26 0.85 -0.11 0.00 -1.05 0.00 0.00 58.31 58.26 2ror n LYS 112 Cb 0.34 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 33.02 2ror n LYS 112 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2ror h SER 113 N 0.00 -0.60 -1.85 -5.58 0.87 -1.89 -3.34 113.55 101.15 2ror h SER 113 Ca 0.59 0.09 -0.59 0.00 -1.23 0.00 0.00 61.79 60.64 2ror h SER 113 Cb 1.87 0.25 -0.11 0.00 -0.44 0.00 0.00 62.40 63.97 2ror h SER 113 CO -0.33 -0.27 1.17 -0.76 -0.53 0.00 0.00 176.83 176.11 2ror s LEU 114 N -10.34 3.63 -0.13 2.23 1.02 0.40 -4.85 118.68 110.63 2ror s LEU 114 Ca -0.15 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 52.90 2ror s LEU 114 Cb 0.09 -2.53 0.13 0.00 0.02 0.00 0.00 46.19 43.89 2ror s LEU 114 CO 0.66 -1.58 1.64 0.47 0.02 0.00 0.00 176.35 177.56 2ror n ASP 115 N 8.70 4.62 -3.73 2.29 8.00 -1.26 -1.07 116.55 134.10 2ror n ASP 115 Ca 0.17 -2.56 -0.11 0.00 0.71 0.00 0.00 54.79 53.00 2ror n ASP 115 Cb 0.49 -0.85 -0.07 0.00 -0.02 0.00 0.00 41.12 40.68 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 -0.96 0.09 0.37 -3.53 -1.32 -1.26 -4.87 115.64 104.16 2ror s THR 116 Ca 0.14 -0.72 0.08 0.00 -1.21 0.00 0.00 61.69 59.99 2ror s THR 116 Cb 0.12 -1.07 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 2ror s THR 116 CO 0.01 -0.40 0.03 0.28 -2.21 0.00 0.00 174.62 172.33 2ror s THR 117 N -3.08 2.42 -0.60 5.08 -1.32 -1.26 -3.36 115.64 113.52 2ror s THR 117 Ca -0.01 -1.95 -0.36 0.00 -1.21 0.00 0.00 61.69 58.15 2ror s THR 117 Cb 0.01 -2.85 -0.17 0.00 -1.51 0.00 0.00 72.50 67.98 2ror s THR 117 CO -0.07 -0.13 2.33 0.18 -2.21 0.00 0.00 174.62 174.72 2ror n LEU 118 N -0.99 1.13 -0.08 9.08 4.77 -1.26 -4.79 117.00 124.86 2ror n LEU 118 Ca -0.04 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.09 2ror n LEU 118 Cb 0.64 -1.06 -0.12 0.00 -2.33 0.00 0.00 43.42 40.54 2ror n LEU 118 CO 0.45 -0.81 -0.58 1.56 -1.33 0.00 0.00 177.39 176.67 2ror h GLN 119 N 11.65 0.07 -3.25 3.23 4.20 -1.79 -3.42 115.11 125.80 2ror h GLN 119 Ca -0.14 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.25 2ror h GLN 119 Cb 1.35 0.04 -0.29 0.00 0.30 0.00 0.00 27.48 28.89 2ror h GLN 119 CO 1.16 1.05 -0.54 -0.06 -0.67 0.00 0.00 178.83 179.78 2ror s PHE 120 N -2.41 -0.20 0.00 2.96 0.08 -0.99 -4.88 117.98 112.54 2ror s PHE 120 Ca -0.27 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.30 2ror s PHE 120 Cb 0.06 0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.53 2ror s PHE 120 CO 0.64 -0.14 0.00 -0.35 -0.10 0.00 0.00 175.22 175.27 2ror n PRO 121 N 3.58 0.43 0.05 0.24 -0.04 -1.26 0.77 135.00 138.77 2ror n PRO 121 Ca -0.19 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.05 2ror n PRO 121 Cb 0.56 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.80 0.59 0.00 0.54 3.57 -1.48 -3.36 116.94 116.01 2ror h PHE 122 Ca 0.00 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2ror h PHE 122 Cb 0.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2ror h PHE 122 CO 0.00 1.46 -0.01 0.87 -2.23 0.00 0.00 178.31 178.40 2ror h LYS 123 N -0.23 0.00 -1.86 1.11 1.57 -1.60 -3.50 116.57 112.05 2ror h LYS 123 Ca -0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2ror h LYS 123 Cb 1.80 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.90 2ror h LYS 123 CO 0.14 0.00 0.27 -1.21 -0.57 0.00 0.00 179.45 178.09 2ror s GLU 124 N -1.05 0.83 0.00 3.15 2.02 -1.25 -5.11 118.70 117.29 2ror s GLU 124 Ca -0.00 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.51 2ror s GLU 124 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.63 2ror s GLU 124 CO 0.00 -0.19 0.00 -0.35 0.02 0.00 0.00 175.26 174.74 2ror n PRO 125 N 1.63 -0.75 -4.20 0.39 -0.04 -1.26 -4.54 135.00 126.23 2ror n PRO 125 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 2ror n PRO 125 Cb 0.56 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 2ror n PRO 125 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ror s GLU 126 N -2.59 2.23 0.15 0.54 1.03 -1.26 -5.00 118.70 113.81 2ror s GLU 126 Ca 0.00 -2.11 -0.12 0.00 0.03 0.00 0.00 54.97 52.77 2ror s GLU 126 Cb 0.00 -1.90 0.01 0.00 -0.80 0.00 0.00 34.13 31.44 2ror s GLU 126 CO 0.00 -0.46 0.33 -1.59 -1.33 0.00 0.00 175.26 172.21 2ror s LYS 127 N -4.10 1.12 -1.37 -4.83 0.00 -1.26 -4.92 119.74 104.38 2ror s LYS 127 Ca 0.26 -0.98 -0.09 0.00 0.00 0.00 0.00 55.97 55.16 2ror s LYS 127 Cb -0.00 0.42 0.02 0.00 0.00 0.00 0.00 37.83 38.26 2ror s LYS 127 CO 0.15 -0.42 1.14 -2.13 0.00 0.00 0.00 175.35 174.10 2ror n ARG 128 N -0.21 -7.54 -3.86 1.78 3.00 -1.26 -2.55 116.66 106.03 2ror n ARG 128 Ca -0.11 0.80 -0.25 0.00 -0.00 0.00 0.00 57.85 58.29 2ror n ARG 128 Cb 0.63 -5.82 -0.07 0.00 0.00 0.00 0.00 32.46 27.19 2ror n ARG 128 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2ror n THR 129 N -4.90 -0.61 -2.34 5.15 -1.04 -1.26 -4.80 114.28 104.47 2ror n THR 129 Ca -0.01 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 2ror n THR 129 Cb 0.56 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 68.36 2ror n THR 129 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2ror s ILE 130 N -3.80 3.89 0.10 12.58 -1.16 -1.06 -5.01 121.20 126.75 2ror s ILE 130 Ca 0.12 1.31 -0.18 0.00 -0.51 0.00 0.00 60.65 61.39 2ror s ILE 130 Cb -0.07 -3.84 0.04 0.00 0.61 0.00 0.00 42.46 39.20 2ror s ILE 130 CO 0.76 0.05 0.44 -0.44 -2.81 0.00 0.00 174.94 172.94 2ror s SER 131 N 1.36 -0.31 -0.30 4.50 0.01 -1.26 -4.92 113.70 112.79 2ror s SER 131 Ca 0.60 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.75 2ror s SER 131 Cb -0.30 0.48 0.08 0.00 0.21 0.00 0.00 66.02 66.49 2ror s SER 131 CO 0.27 -0.80 -0.02 -0.13 0.41 0.00 0.00 173.24 172.97 2ror s ARG 132 N -3.31 1.72 0.78 12.44 1.81 -1.26 -5.11 118.95 126.01 2ror s ARG 132 Ca -0.00 -1.52 -0.12 0.00 -1.72 0.00 0.00 55.73 52.37 2ror s ARG 132 Cb 0.01 -2.93 0.07 0.00 -0.45 0.00 0.00 34.95 31.64 2ror s ARG 132 CO -0.08 -0.77 1.13 0.45 -0.68 0.00 0.00 175.30 175.35 2ror s SER 133 N 1.09 4.13 -0.65 0.23 0.15 -1.26 -5.00 113.70 112.39 2ror s SER 133 Ca 0.02 2.05 -0.00 0.00 0.70 0.00 0.00 55.95 58.71 2ror s SER 133 Cb -0.19 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.73 2ror s SER 133 CO -0.08 -2.29 0.46 -0.83 1.20 0.00 0.00 173.24 171.70 2ror s GLY 134 N -2.80 2.63 -0.06 9.45 0.00 -1.26 -5.07 107.32 110.21 2ror s GLY 134 Ca 0.66 -3.42 -0.30 0.00 0.00 0.00 0.00 44.72 41.66 2ror s GLY 134 CO 0.52 1.09 1.50 2.56 0.00 0.00 0.00 173.10 178.77 2ror s PRO 135 N -0.47 4.22 -1.81 2.90 0.04 -1.26 -3.38 135.00 135.24 2ror s PRO 135 Ca 0.19 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 2ror s PRO 135 Cb -0.18 -3.82 0.19 0.00 0.04 0.00 0.00 34.50 30.73 2ror s PRO 135 CO -0.05 -0.74 0.52 0.43 0.04 0.00 0.00 177.00 177.19 2ror n SER 136 N 6.53 -1.48 -3.82 6.66 7.64 -1.26 -4.90 113.62 122.99 2ror n SER 136 Ca 0.15 -1.23 -0.17 0.00 1.01 0.00 0.00 58.87 58.63 2ror n SER 136 Cb 0.43 -1.71 -0.16 0.00 -1.01 0.00 0.00 64.21 61.76 2ror n SER 136 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ror s SER 137 N -3.45 0.40 0.00 6.43 0.15 -1.22 -5.34 113.70 110.67 2ror s SER 137 Ca 0.69 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2ror s SER 137 Cb -0.40 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2ror s SER 137 CO 1.02 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.97