#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 -0.20 0.03 1.61 0.01 -1.26 -5.19 113.70 108.70 2ror s SER 2 Ca 0.00 -0.16 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 2ror s SER 2 Cb 0.00 0.34 0.10 0.00 0.21 0.00 0.00 66.02 66.66 2ror s SER 2 CO 0.00 -0.59 1.22 -0.55 0.41 0.00 0.00 173.24 173.73 2ror s SER 3 N -2.68 -0.02 0.00 2.44 0.15 -1.26 -5.20 113.70 107.13 2ror s SER 3 Ca 0.10 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2ror s SER 3 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2ror s SER 3 CO -0.04 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2ror n GLY 4 N -0.72 -0.75 3.66 9.45 0.00 -1.26 -5.19 105.19 110.38 2ror n GLY 4 Ca -0.02 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 0.06 0.11 1.61 1.04 -1.26 -5.19 113.70 110.07 2ror s SER 5 Ca 0.00 -0.99 -0.26 0.00 0.48 0.00 0.00 55.95 55.18 2ror s SER 5 Cb 0.00 0.67 0.08 0.00 0.10 0.00 0.00 66.02 66.87 2ror s SER 5 CO 0.00 -1.29 1.09 -0.94 0.98 0.00 0.00 173.24 173.08 2ror s SER 6 N -3.04 -0.09 0.00 7.02 1.04 -1.26 -5.16 113.70 112.21 2ror s SER 6 Ca 0.21 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2ror s SER 6 Cb -0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2ror s SER 6 CO 0.11 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2ror n GLY 7 N -0.56 0.78 3.61 7.32 0.00 -1.26 -5.19 105.19 109.89 2ror n GLY 7 Ca -0.05 0.57 -0.05 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.29 -0.03 1.61 0.00 -1.26 -5.18 119.74 115.16 2ror s LYS 8 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 55.97 55.89 2ror s LYS 8 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 37.83 37.98 2ror s LYS 8 CO 0.00 -0.10 0.21 0.00 0.00 0.00 0.00 175.35 175.46 2ror s ALA 9 N -1.44 -0.51 0.06 0.59 0.00 -1.26 -5.17 121.76 114.04 2ror s ALA 9 Ca 0.06 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2ror s ALA 9 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2ror s ALA 9 CO -0.04 -0.18 -0.08 -1.21 0.00 0.00 0.00 175.76 174.24 2ror s GLU 10 N -0.84 0.65 0.52 0.00 2.02 -1.26 -5.17 118.70 114.62 2ror s GLU 10 Ca -0.09 -0.96 0.08 0.00 0.02 0.00 0.00 54.97 54.02 2ror s GLU 10 Cb -0.05 -0.31 0.05 0.00 0.10 0.00 0.00 34.13 33.92 2ror s GLU 10 CO 0.02 0.04 0.60 0.00 0.02 0.00 0.00 175.26 175.94 2ror s ALA 11 N -2.08 4.52 -0.08 5.21 0.00 -1.26 -5.14 121.76 122.93 2ror s ALA 11 Ca -0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 2ror s ALA 11 Cb -0.05 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 21.87 2ror s ALA 11 CO -0.01 -0.58 0.20 -1.21 0.00 0.00 0.00 175.76 174.15 2ror s GLU 12 N -4.45 0.16 -0.09 0.00 0.41 -1.26 -5.16 118.70 108.32 2ror s GLU 12 Ca 0.52 0.42 -0.21 0.00 -0.41 0.00 0.00 54.97 55.29 2ror s GLU 12 Cb -0.05 -0.10 0.05 0.00 -1.78 0.00 0.00 34.13 32.24 2ror s GLU 12 CO 0.32 -0.14 0.50 1.14 -0.49 0.00 0.00 175.26 176.59 2ror s GLN 13 N 1.02 0.76 0.08 1.61 1.03 -1.26 -5.18 119.66 117.72 2ror s GLN 13 Ca -0.08 0.27 -0.01 0.00 0.04 0.00 0.00 55.36 55.59 2ror s GLN 13 Cb -0.09 0.36 -0.04 0.00 0.03 0.00 0.00 33.01 33.27 2ror s GLN 13 CO -0.06 -0.19 0.00 0.54 -2.54 0.00 0.00 175.29 173.05 2ror s ASN 14 N -0.71 0.42 -0.10 12.60 4.22 -1.26 -5.08 114.94 125.04 2ror s ASN 14 Ca -0.08 -1.08 -0.03 0.00 -2.14 0.00 0.00 52.86 49.54 2ror s ASN 14 Cb -0.03 0.24 -0.05 0.00 1.28 0.00 0.00 41.25 42.69 2ror s ASN 14 CO 0.05 -0.65 -0.11 0.79 -2.04 0.00 0.00 177.10 175.14 2ror n TRP 15 N 0.03 0.00 -0.79 1.54 7.02 -1.26 -5.05 117.44 118.94 2ror n TRP 15 Ca -0.11 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.03 2ror n TRP 15 Cb 0.62 -0.35 0.12 0.00 -2.42 0.00 0.00 31.31 29.28 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 2ror n TRP 16 N -3.17 -1.76 -3.60 -5.99 2.14 -1.26 -4.98 117.44 98.81 2ror n TRP 16 Ca -0.18 0.24 -0.28 0.00 2.07 0.00 0.00 57.50 59.35 2ror n TRP 16 Cb 0.65 -1.57 -0.11 0.00 -0.81 0.00 0.00 31.31 29.47 2ror n TRP 16 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2ror s GLU 17 N -3.10 1.40 -0.19 -2.67 2.02 -1.26 -4.96 118.70 109.94 2ror s GLU 17 Ca 0.51 -2.39 -0.05 0.00 0.02 0.00 0.00 54.97 53.06 2ror s GLU 17 Cb -0.11 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 31.98 2ror s GLU 17 CO 0.68 -1.31 0.18 0.41 0.02 0.00 0.00 175.26 175.24 2ror n GLY 18 N 2.80 -2.02 3.71 -1.39 0.00 -1.26 -5.03 105.19 102.00 2ror n GLY 18 Ca 0.22 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.39 1.03 1.24 1.61 0.04 -1.26 -5.05 135.00 131.21 2ror s PRO 19 Ca 0.07 0.73 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 2ror s PRO 19 Cb -0.02 -1.79 0.30 0.00 0.04 0.00 0.00 34.50 33.03 2ror s PRO 19 CO 0.38 -2.38 1.11 -1.25 0.04 0.00 0.00 177.00 174.90 2ror s PRO 20 N -4.95 -1.50 0.76 0.56 0.04 -1.26 -4.99 135.00 123.66 2ror s PRO 20 Ca 0.64 -0.16 -0.14 0.00 0.04 0.00 0.00 61.00 61.38 2ror s PRO 20 Cb -0.18 -1.57 0.06 0.00 0.04 0.00 0.00 34.50 32.84 2ror s PRO 20 CO 0.57 -3.88 1.21 -1.14 0.04 0.00 0.00 177.00 173.80 2ror s GLN 21 N -5.48 1.95 -0.06 4.56 2.00 -1.26 -5.05 119.66 116.32 2ror s GLN 21 Ca 0.72 1.75 -0.09 0.00 -2.00 0.00 0.00 55.36 55.74 2ror s GLN 21 Cb -0.08 -1.81 0.02 0.00 0.80 0.00 0.00 33.01 31.94 2ror s GLN 21 CO 0.56 -1.98 0.23 -0.51 -0.50 0.00 0.00 175.29 173.08 2ror s ASP 22 N -2.09 -0.18 0.61 6.67 1.01 -1.26 -5.01 116.67 116.42 2ror s ASP 22 Ca 0.74 0.28 0.24 0.00 0.71 0.00 0.00 52.55 54.51 2ror s ASP 22 Cb -0.29 0.40 0.94 0.00 1.01 0.00 0.00 42.92 44.98 2ror s ASP 22 CO 0.47 -0.19 1.40 -0.07 0.21 0.00 0.00 175.17 176.99 2ror h LEU 23 N 5.19 0.00 -0.94 1.23 3.38 -1.96 0.21 115.31 122.42 2ror h LEU 23 Ca -0.27 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.92 2ror h LEU 23 Cb 1.19 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.82 2ror h LEU 23 CO 0.37 0.00 0.48 0.77 0.09 0.00 0.00 178.44 180.16 2ror h SER 24 N 0.00 0.50 -1.66 -0.43 4.64 -1.92 0.17 113.55 114.85 2ror h SER 24 Ca 0.36 0.14 0.49 0.00 -0.47 0.00 0.00 61.79 62.31 2ror h SER 24 Cb 2.39 0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 64.48 2ror h SER 24 CO -0.00 0.07 1.18 -0.37 -0.87 0.00 0.00 176.83 176.83 2ror h VAL 25 N 0.50 0.14 -4.11 0.95 -1.51 -0.82 -3.39 116.25 108.00 2ror h VAL 25 Ca 0.58 -0.01 -0.45 0.00 -1.23 0.00 0.00 66.70 65.60 2ror h VAL 25 Cb 1.08 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.35 2ror h VAL 25 CO -0.49 0.00 0.35 -1.00 -1.23 0.00 0.00 177.57 175.21 2ror s HIS 26 N -4.96 3.37 -1.14 5.19 4.02 0.60 -4.79 115.29 117.58 2ror s HIS 26 Ca -0.05 1.55 0.07 0.00 1.02 0.00 0.00 55.06 57.65 2ror s HIS 26 Cb 0.26 -2.82 0.33 0.00 -1.02 0.00 0.00 32.58 29.33 2ror s HIS 26 CO 0.86 -0.21 1.19 -0.11 1.02 0.00 0.00 174.74 177.49 2ror n LEU 27 N -1.02 0.00 -3.92 0.89 7.94 -1.26 -4.48 117.00 115.15 2ror n LEU 27 Ca 0.07 0.43 -0.22 0.00 -1.11 0.00 0.00 56.01 55.18 2ror n LEU 27 Cb 0.54 -0.43 -0.17 0.00 0.53 0.00 0.00 43.42 43.89 2ror n LEU 27 CO 0.41 -0.32 -0.43 -1.66 -1.11 0.00 0.00 177.39 174.28 2ror s TRP 28 N -2.86 1.01 -0.03 1.96 1.48 -1.26 -2.46 118.94 116.78 2ror s TRP 28 Ca 0.05 -0.35 -0.13 0.00 -1.06 0.00 0.00 56.10 54.61 2ror s TRP 28 Cb 0.05 -0.85 0.02 0.00 -1.16 0.00 0.00 33.47 31.53 2ror s TRP 28 CO 0.13 -0.26 0.28 -0.47 -4.06 0.00 0.00 176.95 172.56 2ror s TYR 29 N 1.03 -0.17 -0.25 1.66 5.04 -1.26 -4.68 117.35 118.71 2ror s TYR 29 Ca -0.09 0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.83 2ror s TYR 29 Cb -0.14 0.08 0.14 0.00 0.35 0.00 0.00 41.96 42.38 2ror s TYR 29 CO -0.00 -0.32 0.41 0.00 -1.34 0.00 0.00 175.55 174.30 2ror s ALA 30 N -1.01 -1.27 1.00 3.97 0.00 0.40 -4.59 121.76 120.25 2ror s ALA 30 Ca -0.11 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2ror s ALA 30 Cb -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2ror s ALA 30 CO 0.03 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.95 2ror n GLY 31 N 5.38 -2.66 0.00 0.00 0.00 -1.26 -3.70 105.19 102.95 2ror n GLY 31 Ca -0.03 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.69 1.61 -0.04 -1.26 -3.32 135.00 131.78 2ror n PRO 32 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 2ror n PRO 32 Cb 0.00 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.69 0.00 -0.61 0.54 1.56 -1.26 -4.90 117.12 111.76 2ror n MET 33 Ca 0.04 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.37 2ror n MET 33 Cb 0.02 -0.55 0.08 0.00 2.15 0.00 0.00 33.22 34.92 2ror n MET 33 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2ror n GLU 34 N 0.55 -0.79 0.03 2.12 0.00 -1.26 -4.82 120.64 116.47 2ror n GLU 34 Ca 0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 57.16 56.52 2ror n GLU 34 Cb 0.10 -0.52 -0.01 0.00 0.00 0.00 0.00 31.44 31.02 2ror n GLU 34 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2ror h ARG 35 N 0.00 -0.08 -0.92 3.44 9.65 -2.00 -2.32 114.38 122.15 2ror h ARG 35 Ca -0.15 0.01 0.27 0.00 -1.10 0.00 0.00 59.98 59.00 2ror h ARG 35 Cb 0.43 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 2ror h ARG 35 CO 0.11 -0.05 0.85 0.00 2.80 0.00 0.00 179.97 183.67 2ror h ALA 36 N -1.96 2.77 -0.13 2.80 0.00 -2.00 0.64 119.26 121.38 2ror h ALA 36 Ca -0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2ror h ALA 36 Cb 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ror h ALA 36 CO 0.01 -1.32 -0.57 0.78 0.00 0.00 0.00 179.25 178.15 2ror h GLY 37 N 0.00 0.45 0.22 0.00 0.00 -1.86 -2.98 103.07 98.91 2ror h GLY 37 Ca 0.44 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2ror h GLY 37 CO -0.00 0.48 -0.11 0.00 0.00 0.00 0.00 176.54 176.91 2ror h ALA 38 N 1.07 -0.37 -0.87 3.60 0.00 0.84 -3.28 119.26 120.25 2ror h ALA 38 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2ror h ALA 38 Cb 1.09 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2ror h ALA 38 CO 0.10 -0.35 -0.35 0.93 0.00 0.00 0.00 179.25 179.58 2ror h GLU 39 N -0.84 -0.04 -0.81 0.00 5.08 -1.61 0.57 114.58 116.94 2ror h GLU 39 Ca -0.03 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2ror h GLU 39 Cb 0.23 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.36 2ror h GLU 39 CO 0.05 -0.03 -0.40 1.03 -1.00 0.00 0.00 179.01 178.66 2ror h SER 40 N -0.04 -1.44 0.00 1.42 0.87 -1.65 0.34 113.55 113.04 2ror h SER 40 Ca 0.33 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 2ror h SER 40 Cb 0.59 0.71 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2ror h SER 40 CO -0.90 -0.30 0.00 -0.38 -0.53 0.00 0.00 176.83 174.72 2ror n ILE 41 N -5.43 0.00 0.15 2.23 5.41 0.18 -0.11 119.36 121.79 2ror n ILE 41 Ca 0.06 1.47 0.07 0.00 1.00 0.00 0.00 62.75 65.35 2ror n ILE 41 Cb 0.37 -2.19 0.40 0.00 -0.71 0.00 0.00 39.64 37.51 2ror n ILE 41 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2ror n LEU 42 N -2.45 0.38 -0.03 1.39 7.99 -0.91 -1.05 117.00 122.32 2ror n LEU 42 Ca 0.00 0.60 -0.00 0.00 -0.01 0.00 0.00 56.01 56.60 2ror n LEU 42 Cb 0.00 -0.59 -0.00 0.00 -0.11 0.00 0.00 43.42 42.72 2ror n LEU 42 CO 0.00 -0.73 -0.02 0.00 -1.51 0.00 0.00 177.39 175.12 2ror h ALA 43 N 1.46 0.00 0.00 -1.18 0.00 0.25 -3.36 119.26 116.44 2ror h ALA 43 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ror h ALA 43 Cb 0.39 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ror h ALA 43 CO 0.00 0.03 -0.01 -0.91 0.00 0.00 0.00 179.25 178.36 2ror h ASN 44 N -0.57 0.00 -4.22 0.00 2.35 -0.05 -3.43 115.58 109.66 2ror h ASN 44 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 2ror h ASN 44 Cb 0.03 0.00 0.14 0.00 0.05 0.00 0.00 38.32 38.54 2ror h ASN 44 CO 0.00 0.01 0.38 -0.13 -1.65 0.00 0.00 177.43 176.04 2ror s ARG 45 N -4.94 1.02 0.82 0.81 3.00 -0.21 -5.02 118.95 114.43 2ror s ARG 45 Ca -0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 55.73 55.44 2ror s ARG 45 Cb 0.16 -1.86 0.09 0.00 0.00 0.00 0.00 34.95 33.34 2ror s ARG 45 CO 0.64 -2.20 1.18 0.45 0.00 0.00 0.00 175.30 175.37 2ror s SER 46 N -4.61 3.56 -0.20 0.23 0.15 -1.26 -4.89 113.70 106.69 2ror s SER 46 Ca 0.68 2.27 -0.29 0.00 0.70 0.00 0.00 55.95 59.31 2ror s SER 46 Cb -0.08 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 2ror s SER 46 CO 0.52 -2.68 1.70 1.51 1.20 0.00 0.00 173.24 175.49 2ror s ASP 47 N -2.38 6.30 0.00 5.45 -4.77 -1.26 -2.69 116.67 117.31 2ror s ASP 47 Ca 0.70 1.72 0.00 0.00 -3.30 0.00 0.00 52.55 51.68 2ror s ASP 47 Cb -0.26 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.04 2ror s ASP 47 CO 0.52 -1.31 0.00 0.61 0.70 0.00 0.00 175.17 175.69 2ror n GLY 48 N 4.76 0.92 3.74 2.12 0.00 -0.49 -4.95 105.19 111.29 2ror n GLY 48 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.83 2.77 0.20 2.61 2.01 -1.10 -1.93 115.64 118.38 2ror s THR 49 Ca 0.00 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 2ror s THR 49 Cb 0.00 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.67 2ror s THR 49 CO 0.00 -0.24 0.42 0.72 -0.69 0.00 0.00 174.62 174.84 2ror s PHE 50 N -2.28 0.25 0.31 4.92 -0.71 0.26 -1.81 117.98 118.92 2ror s PHE 50 Ca 0.69 -0.61 -0.19 0.00 -1.04 0.00 0.00 56.93 55.79 2ror s PHE 50 Cb -0.24 0.16 0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2ror s PHE 50 CO 0.46 -0.88 0.82 -0.48 -1.34 0.00 0.00 175.22 173.80 2ror s LEU 51 N -2.96 -0.08 -0.22 -1.99 0.05 -0.91 -1.06 118.68 111.51 2ror s LEU 51 Ca 0.17 -0.89 0.01 0.00 0.05 0.00 0.00 54.13 53.48 2ror s LEU 51 Cb 0.01 2.66 0.05 0.00 -2.05 0.00 0.00 46.19 46.86 2ror s LEU 51 CO 0.03 -1.45 -0.10 -0.69 -0.55 0.00 0.00 176.35 173.59 2ror s VAL 52 N -2.78 1.74 0.40 1.48 1.01 -1.26 -3.05 120.40 117.93 2ror s VAL 52 Ca 0.15 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.03 2ror s VAL 52 Cb -0.05 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2ror s VAL 52 CO 0.09 0.09 0.34 -0.13 0.00 0.00 0.00 175.10 175.49 2ror s ARG 53 N 1.33 2.55 0.10 2.72 0.52 -0.92 -0.45 118.95 124.80 2ror s ARG 53 Ca -0.03 -1.51 0.05 0.00 -0.52 0.00 0.00 55.73 53.72 2ror s ARG 53 Cb -0.17 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 2ror s ARG 53 CO -0.07 -0.12 -0.12 -1.14 0.02 0.00 0.00 175.30 173.86 2ror s GLN 54 N -4.08 0.91 0.56 3.54 0.74 -1.21 -0.87 119.66 119.26 2ror s GLN 54 Ca 0.46 -1.16 0.02 0.00 0.05 0.00 0.00 55.36 54.73 2ror s GLN 54 Cb -0.03 -0.73 0.05 0.00 1.10 0.00 0.00 33.01 33.39 2ror s GLN 54 CO 0.27 0.13 0.79 -0.98 -0.55 0.00 0.00 175.29 174.96 2ror s ARG 55 N -2.56 2.43 -0.14 1.67 1.70 -1.26 -4.56 118.95 116.22 2ror s ARG 55 Ca 0.06 -0.92 0.14 0.00 -0.47 0.00 0.00 55.73 54.54 2ror s ARG 55 Cb -0.05 -2.50 -0.20 0.00 -0.57 0.00 0.00 34.95 31.64 2ror s ARG 55 CO 0.02 -0.79 0.08 1.33 -1.08 0.00 0.00 175.30 174.86 2ror n VAL 56 N -2.37 0.99 0.46 4.99 0.24 -1.26 -4.59 118.33 116.79 2ror n VAL 56 Ca 0.09 -0.64 -0.20 0.00 -2.04 0.00 0.00 64.34 61.56 2ror n VAL 56 Cb 0.60 -0.53 -0.10 0.00 -1.47 0.00 0.00 33.84 32.34 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 0.00 -1.14 -4.86 7.34 1.79 -2.04 -3.40 116.57 114.26 2ror h LYS 57 Ca -0.39 0.08 -0.67 0.00 -2.18 0.00 0.00 60.65 57.49 2ror h LYS 57 Cb 1.87 0.26 -0.37 0.00 -1.58 0.00 0.00 32.23 32.41 2ror h LYS 57 CO 0.02 -0.76 -0.80 0.34 -1.08 0.00 0.00 179.45 177.17 2ror s ASP 58 N -4.16 4.42 0.22 0.86 2.15 -1.26 -5.00 116.67 113.90 2ror s ASP 58 Ca -0.19 -1.39 -0.10 0.00 0.43 0.00 0.00 52.55 51.30 2ror s ASP 58 Cb 0.03 -1.54 0.32 0.00 -0.30 0.00 0.00 42.92 41.43 2ror s ASP 58 CO 0.61 -0.19 1.67 0.00 -0.17 0.00 0.00 175.17 177.09 2ror h ALA 59 N 7.78 0.67 -0.32 3.66 0.00 -1.81 -3.22 119.26 126.01 2ror h ALA 59 Ca -0.19 0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 2ror h ALA 59 Cb 1.04 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2ror h ALA 59 CO 0.46 -0.37 1.75 0.00 0.00 0.00 0.00 179.25 181.08 2ror n ALA 60 N -2.75 2.74 -3.71 0.00 0.00 -1.26 -4.78 120.51 110.75 2ror n ALA 60 Ca 0.10 -3.27 -0.02 0.00 0.00 0.00 0.00 53.44 50.26 2ror n ALA 60 Cb 0.37 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.25 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 5.52 0.92 0.26 0.00 -6.30 -1.22 -4.42 118.70 113.46 2ror s GLU 61 Ca 0.62 -0.51 -0.21 0.00 -2.50 0.00 0.00 54.97 52.37 2ror s GLU 61 Cb 0.06 0.31 0.05 0.00 0.00 0.00 0.00 34.13 34.55 2ror s GLU 61 CO 0.11 -0.42 0.85 -0.06 0.02 0.00 0.00 175.26 175.76 2ror s PHE 62 N -2.97 -0.05 0.16 5.30 0.08 -1.26 -4.54 117.98 114.69 2ror s PHE 62 Ca 0.13 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.65 2ror s PHE 62 Cb 0.01 0.72 0.00 0.00 -0.57 0.00 0.00 43.02 43.19 2ror s PHE 62 CO 0.00 -1.17 0.34 0.00 -0.10 0.00 0.00 175.22 174.29 2ror s ALA 63 N -3.06 -0.32 -0.22 5.36 0.00 -0.05 -0.18 121.76 123.30 2ror s ALA 63 Ca 0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 2ror s ALA 63 Cb -0.04 0.79 0.07 0.00 0.00 0.00 0.00 23.12 23.94 2ror s ALA 63 CO 0.07 -0.66 0.06 0.42 0.00 0.00 0.00 175.76 175.64 2ror s ILE 64 N -3.92 0.42 -0.16 0.00 1.01 -0.34 -2.17 121.20 116.04 2ror s ILE 64 Ca 0.12 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 2ror s ILE 64 Cb 0.02 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 2ror s ILE 64 CO -0.03 -0.34 0.01 -0.44 0.00 0.00 0.00 174.94 174.14 2ror s SER 65 N 1.89 5.20 0.01 3.58 0.01 -1.17 -1.41 113.70 121.81 2ror s SER 65 Ca 0.02 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.28 2ror s SER 65 Cb -0.17 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 2ror s SER 65 CO -0.14 0.20 -0.02 -0.51 0.41 0.00 0.00 173.24 173.19 2ror s ILE 66 N 0.18 0.09 -0.06 1.44 -1.16 -0.66 -2.14 121.20 118.89 2ror s ILE 66 Ca 0.01 -0.39 -0.18 0.00 -0.51 0.00 0.00 60.65 59.57 2ror s ILE 66 Cb -0.13 -0.15 -0.05 0.00 0.61 0.00 0.00 42.46 42.75 2ror s ILE 66 CO 0.02 -0.19 0.51 -0.75 -2.81 0.00 0.00 174.94 171.71 2ror s LYS 67 N -0.61 4.27 -0.29 3.50 2.47 -0.75 -0.83 119.74 127.49 2ror s LYS 67 Ca -0.06 0.54 -0.20 0.00 -1.56 0.00 0.00 55.97 54.69 2ror s LYS 67 Cb -0.04 -3.37 0.18 0.00 -1.46 0.00 0.00 37.83 33.14 2ror s LYS 67 CO -0.00 0.31 1.24 -0.47 0.16 0.00 0.00 175.35 176.58 2ror s TYR 68 N 0.10 -0.21 -0.49 4.03 5.04 -0.86 -1.39 117.35 123.56 2ror s TYR 68 Ca 0.27 0.45 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2ror s TYR 68 Cb -0.16 0.28 -0.02 0.00 0.35 0.00 0.00 41.96 42.41 2ror s TYR 68 CO 0.13 -0.10 0.42 -1.71 -1.34 0.00 0.00 175.55 172.95 2ror n ASN 69 N 2.59 -3.03 -2.12 4.32 2.85 -1.26 -3.14 115.26 115.47 2ror n ASN 69 Ca -0.15 -0.29 -0.01 0.00 -0.11 0.00 0.00 54.58 54.03 2ror n ASN 69 Cb 0.57 -2.55 -0.00 0.00 1.24 0.00 0.00 39.78 39.04 2ror n ASN 69 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2ror n VAL 70 N -2.31 -0.02 -3.67 3.44 0.24 -1.26 -4.82 118.33 109.92 2ror n VAL 70 Ca -0.08 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2ror n VAL 70 Cb 0.56 -0.09 -0.09 0.00 -1.47 0.00 0.00 33.84 32.76 2ror n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ror s GLU 71 N -4.25 0.60 -0.16 7.34 2.02 -1.19 -5.14 118.70 117.92 2ror s GLU 71 Ca 0.00 0.95 -0.23 0.00 0.02 0.00 0.00 54.97 55.71 2ror s GLU 71 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 2ror s GLU 71 CO 0.00 -0.13 0.71 0.08 0.02 0.00 0.00 175.26 175.94 2ror s VAL 72 N 1.13 4.98 0.32 2.63 1.01 -1.26 -2.04 120.40 127.18 2ror s VAL 72 Ca -0.07 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.36 2ror s VAL 72 Cb -0.06 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2ror s VAL 72 CO -0.11 0.12 0.41 -0.54 0.00 0.00 0.00 175.10 174.98 2ror s LYS 73 N 1.73 3.08 -0.05 2.72 -0.14 -0.01 -4.96 119.74 122.11 2ror s LYS 73 Ca 0.34 -1.03 -0.10 0.00 -1.36 0.00 0.00 55.97 53.81 2ror s LYS 73 Cb -0.16 -2.75 0.02 0.00 -1.68 0.00 0.00 37.83 33.25 2ror s LYS 73 CO 0.13 0.13 0.25 -1.01 -0.76 0.00 0.00 175.35 174.09 2ror s HIS 74 N -2.17 -0.18 -0.09 3.18 3.76 -1.26 -1.65 115.29 116.87 2ror s HIS 74 Ca 0.42 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 2ror s HIS 74 Cb -0.09 0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.69 2ror s HIS 74 CO 0.30 -0.25 -0.09 0.42 -0.85 0.00 0.00 174.74 174.27 2ror s ILE 75 N -0.64 1.01 -0.02 0.60 1.01 -0.50 -4.97 121.20 117.69 2ror s ILE 75 Ca -0.07 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.99 2ror s ILE 75 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2ror s ILE 75 CO 0.02 0.35 0.83 -0.75 0.00 0.00 0.00 174.94 175.39 2ror s LYS 76 N 1.38 4.50 0.20 2.79 2.20 -1.26 -1.20 119.74 128.35 2ror s LYS 76 Ca -0.01 1.15 0.02 0.00 -0.36 0.00 0.00 55.97 56.76 2ror s LYS 76 Cb -0.14 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 2ror s LYS 76 CO -0.04 0.04 0.35 0.42 -0.36 0.00 0.00 175.35 175.76 2ror s ILE 77 N 0.77 5.26 0.04 5.43 1.01 0.75 -4.76 121.20 129.70 2ror s ILE 77 Ca 0.44 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.51 2ror s ILE 77 Cb -0.20 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2ror s ILE 77 CO 0.23 -0.19 -0.11 -0.04 0.00 0.00 0.00 174.94 174.83 2ror s MET 78 N -3.47 0.75 -0.01 2.79 -1.94 -1.17 -4.19 119.30 112.06 2ror s MET 78 Ca 0.36 -0.69 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 2ror s MET 78 Cb -0.11 -0.70 0.00 0.00 2.01 0.00 0.00 34.83 36.04 2ror s MET 78 CO 0.29 0.17 -0.04 0.95 -0.01 0.00 0.00 175.02 176.38 2ror s THR 79 N -0.90 0.37 0.00 2.05 -4.23 -1.26 -3.09 115.64 108.59 2ror s THR 79 Ca -0.01 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 2ror s THR 79 Cb -0.08 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.43 2ror s THR 79 CO 0.01 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.21 2ror n ALA 80 N 3.17 2.51 -2.02 3.99 0.00 -1.25 -4.90 120.51 122.02 2ror n ALA 80 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2ror n ALA 80 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 2ror n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ror n GLU 81 N -1.77 3.05 -2.07 0.00 1.02 -1.26 -4.81 120.64 114.80 2ror n GLU 81 Ca 0.00 -3.87 -0.02 0.00 -0.02 0.00 0.00 57.16 53.25 2ror n GLU 81 Cb 0.00 -2.27 -0.00 0.00 -0.02 0.00 0.00 31.44 29.15 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 -0.59 0.32 3.24 0.62 0.00 -1.26 -5.05 105.19 102.46 2ror n GLY 82 Ca 0.50 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 2ror n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ror s LEU 83 N -0.65 2.15 -0.15 0.99 1.43 -1.26 -4.73 118.68 116.46 2ror s LEU 83 Ca 0.00 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2ror s LEU 83 Cb -0.00 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 2ror s LEU 83 CO 0.00 0.17 -0.11 -0.31 0.23 0.00 0.00 176.35 176.33 2ror s TYR 84 N -0.75 2.86 -0.19 0.29 1.51 -1.13 -3.79 117.35 116.14 2ror s TYR 84 Ca 0.07 -0.71 -0.28 0.00 -1.01 0.00 0.00 57.07 55.15 2ror s TYR 84 Cb -0.09 -1.90 0.08 0.00 -0.11 0.00 0.00 41.96 39.94 2ror s TYR 84 CO 0.01 -0.28 0.78 -0.98 -1.11 0.00 0.00 175.55 173.97 2ror s ARG 85 N 0.59 0.84 -0.01 -0.62 1.70 -1.18 -1.32 118.95 118.96 2ror s ARG 85 Ca -0.07 0.61 0.18 0.00 -0.47 0.00 0.00 55.73 55.99 2ror s ARG 85 Cb -0.15 0.41 -0.23 0.00 -0.57 0.00 0.00 34.95 34.40 2ror s ARG 85 CO 0.03 -0.18 0.63 0.44 -1.08 0.00 0.00 175.30 175.14 2ror n ILE 86 N 1.83 0.00 -4.05 4.99 -5.35 -1.26 -3.04 119.36 112.49 2ror n ILE 86 Ca -0.15 -0.21 -0.07 0.00 -0.27 0.00 0.00 62.75 62.04 2ror n ILE 86 Cb 0.56 0.64 -0.09 0.00 -1.74 0.00 0.00 39.64 39.00 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 -2.93 0.20 0.20 7.28 -4.23 -1.26 -5.01 115.64 109.89 2ror s THR 87 Ca 0.01 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2ror s THR 87 Cb 0.13 -1.50 -0.11 0.00 1.34 0.00 0.00 72.50 72.36 2ror s THR 87 CO 0.75 -0.91 1.45 1.05 -0.54 0.00 0.00 174.62 176.42 2ror h GLU 88 N 3.06 0.17 0.93 3.99 -0.00 -2.04 -3.32 114.58 117.36 2ror h GLU 88 Ca -0.34 -0.16 -0.05 0.00 -0.00 0.00 0.00 59.36 58.82 2ror h GLU 88 Cb 1.15 0.04 0.01 0.00 -0.00 0.00 0.00 28.75 29.95 2ror h GLU 88 CO 0.64 0.86 -0.44 0.87 -0.00 0.00 0.00 179.01 180.93 2ror h LYS 89 N 0.10 -1.20 -5.93 1.06 1.57 -2.03 -3.43 116.57 106.71 2ror h LYS 89 Ca -0.03 0.08 -0.62 0.00 -1.87 0.00 0.00 60.65 58.22 2ror h LYS 89 Cb 1.36 0.27 -0.04 0.00 0.08 0.00 0.00 32.23 33.89 2ror h LYS 89 CO 0.11 -0.80 -0.44 0.21 -0.57 0.00 0.00 179.45 177.97 2ror s LYS 90 N -5.61 3.51 0.04 3.15 2.47 -1.25 -5.11 119.74 116.93 2ror s LYS 90 Ca -0.18 -0.26 -0.07 0.00 -1.56 0.00 0.00 55.97 53.90 2ror s LYS 90 Cb 0.02 -3.03 -0.01 0.00 -1.46 0.00 0.00 37.83 33.36 2ror s LYS 90 CO 0.55 0.61 0.12 0.00 0.16 0.00 0.00 175.35 176.79 2ror s ALA 91 N -1.45 -0.16 0.31 3.13 0.00 -1.26 -4.15 121.76 118.19 2ror s ALA 91 Ca 0.33 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.85 2ror s ALA 91 Cb -0.13 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2ror s ALA 91 CO 0.22 -0.33 0.10 -0.06 0.00 0.00 0.00 175.76 175.70 2ror s PHE 92 N -2.55 1.73 -0.21 0.00 0.40 -0.43 -5.02 117.98 111.90 2ror s PHE 92 Ca -0.05 -1.15 0.09 0.00 -0.60 0.00 0.00 56.93 55.21 2ror s PHE 92 Cb -0.01 -1.07 -0.21 0.00 0.51 0.00 0.00 43.02 42.23 2ror s PHE 92 CO -0.04 -0.24 0.01 2.89 0.70 0.00 0.00 175.22 178.54 2ror n ARG 93 N -0.63 0.67 -3.91 0.44 -4.01 -1.26 -2.85 116.66 105.11 2ror n ARG 93 Ca -0.02 0.11 -0.10 0.00 -1.04 0.00 0.00 57.85 56.81 2ror n ARG 93 Cb 0.66 -1.56 -0.09 0.00 -3.04 0.00 0.00 32.46 28.43 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 -5.92 0.14 0.29 2.89 0.00 -1.26 -4.12 107.32 99.34 2ror s GLY 94 Ca -0.21 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2ror s GLY 94 CO 0.72 -0.65 1.88 -2.00 0.00 0.00 0.00 173.10 173.05 2ror h LEU 95 N 3.55 0.95 -0.20 0.66 5.85 -1.95 -2.28 115.31 121.89 2ror h LEU 95 Ca -0.32 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.47 2ror h LEU 95 Cb 1.19 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 2ror h LEU 95 CO 0.50 0.58 -0.36 0.74 -0.34 0.00 0.00 178.44 179.57 2ror h THR 96 N 1.07 0.22 -0.12 1.05 2.02 -1.99 -1.44 112.91 113.71 2ror h THR 96 Ca 0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.61 2ror h THR 96 Cb 0.28 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2ror h THR 96 CO -0.19 0.00 0.07 -0.33 0.37 0.00 0.00 175.52 175.45 2ror h GLU 97 N -0.39 0.16 -0.96 6.66 4.39 -1.86 0.26 114.58 122.84 2ror h GLU 97 Ca 0.11 -0.01 0.28 0.00 0.34 0.00 0.00 59.36 60.07 2ror h GLU 97 Cb 0.57 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2ror h GLU 97 CO -0.42 0.15 0.76 1.25 -1.16 0.00 0.00 179.01 179.59 2ror h LEU 98 N 0.13 0.00 0.06 1.33 6.46 -0.85 0.77 115.31 123.20 2ror h LEU 98 Ca 0.04 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.46 2ror h LEU 98 Cb 0.03 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 2ror h LEU 98 CO -0.01 0.00 -1.95 0.52 -0.62 0.00 0.00 178.44 176.39 2ror n VAL 99 N -4.04 1.64 0.87 1.05 0.31 -0.60 -3.37 118.33 114.19 2ror n VAL 99 Ca 0.20 -0.44 0.09 0.00 -0.01 0.00 0.00 64.34 64.18 2ror n VAL 99 Cb 1.08 -1.78 0.46 0.00 -0.91 0.00 0.00 33.84 32.69 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 -3.80 0.27 -0.13 5.55 -0.58 0.84 -3.13 120.64 119.67 2ror n GLU 100 Ca -0.37 0.11 -0.26 0.00 -0.42 0.00 0.00 57.16 56.21 2ror n GLU 100 Cb 0.92 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 30.19 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 -1.27 0.26 -0.14 -0.32 7.35 0.25 -4.38 117.46 119.21 2ror n PHE 101 Ca 0.09 0.11 0.20 0.00 -0.76 0.00 0.00 57.45 57.09 2ror n PHE 101 Cb 0.14 -0.99 0.59 0.00 0.35 0.00 0.00 39.48 39.57 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 -1.00 0.29 0.00 -5.13 0.05 -1.56 0.35 116.97 109.98 2ror h TYR 102 Ca -0.57 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.22 2ror h TYR 102 Cb 1.49 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.14 2ror h TYR 102 CO -0.07 0.10 0.02 1.04 -1.05 0.00 0.00 178.16 178.20 2ror n GLN 103 N -4.42 0.07 -0.00 4.88 6.02 -1.18 -0.77 117.38 121.98 2ror n GLN 103 Ca 0.15 0.56 0.04 0.00 -0.01 0.00 0.00 57.00 57.74 2ror n GLN 103 Cb 0.66 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.89 2.13 -3.83 -1.09 3.00 0.12 -4.89 117.38 110.93 2ror n GLN 104 Ca -0.01 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.65 2ror n GLN 104 Cb 0.03 -1.04 -0.16 0.00 0.00 0.00 0.00 30.24 29.07 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 -2.38 3.46 0.12 1.08 2.20 0.05 -5.10 114.94 114.37 2ror s ASN 105 Ca -0.00 -1.07 -0.34 0.00 -0.94 0.00 0.00 52.86 50.50 2ror s ASN 105 Cb 0.05 -0.90 -0.17 0.00 -2.00 0.00 0.00 41.25 38.24 2ror s ASN 105 CO 0.32 -0.28 1.05 -0.24 -2.94 0.00 0.00 177.10 175.01 2ror n SER 106 N 4.85 0.59 0.23 3.54 2.88 -1.25 -4.58 113.62 119.88 2ror n SER 106 Ca -0.10 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.73 2ror n SER 106 Cb 0.45 -1.09 0.77 0.00 -0.75 0.00 0.00 64.21 63.59 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 3.01 0.00 -1.97 2.46 3.38 -1.13 -1.07 115.31 119.99 2ror h LEU 107 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ror h LEU 107 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2ror h LEU 107 CO 0.67 0.00 0.03 0.07 0.09 0.00 0.00 178.44 179.31 2ror h LYS 108 N 0.00 0.00 -0.72 1.13 2.10 -1.43 -1.54 116.57 116.11 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 0.16 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.45 2ror h LYS 108 CO 0.00 0.00 0.48 0.22 -2.00 0.00 0.00 179.45 178.15 2ror h ASP 109 N 0.00 0.78 0.00 7.07 3.58 -1.48 -3.35 116.42 123.02 2ror h ASP 109 Ca 0.00 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 2ror h ASP 109 Cb 0.07 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2ror h ASP 109 CO 0.00 0.55 -0.96 0.00 -2.88 0.00 0.00 179.24 175.95 2ror s PHE 111 N -2.67 3.54 -0.24 0.00 0.08 -0.84 -5.03 117.98 112.82 2ror s PHE 111 Ca -0.24 0.87 -0.04 0.00 0.12 0.00 0.00 56.93 57.64 2ror s PHE 111 Cb 0.04 -2.33 -0.17 0.00 -0.57 0.00 0.00 43.02 39.99 2ror s PHE 111 CO 0.34 -0.22 -0.15 1.17 -0.10 0.00 0.00 175.22 176.26 2ror n LYS 112 N -1.97 0.65 0.16 0.44 3.00 -1.26 -4.01 118.16 115.16 2ror n LYS 112 Ca 0.01 0.21 -0.14 0.00 -0.00 0.00 0.00 58.31 58.40 2ror n LYS 112 Cb 0.55 -1.55 -0.06 0.00 0.00 0.00 0.00 35.03 33.96 2ror n LYS 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2ror h SER 113 N -0.28 -0.60 -1.77 3.14 0.87 -1.95 -3.36 113.55 109.60 2ror h SER 113 Ca -0.58 0.06 -0.52 0.00 -1.23 0.00 0.00 61.79 59.52 2ror h SER 113 Cb 1.82 0.21 -0.07 0.00 -0.44 0.00 0.00 62.40 63.92 2ror h SER 113 CO -0.15 -0.33 1.20 -0.76 -0.53 0.00 0.00 176.83 176.26 2ror s LEU 114 N -10.23 3.28 -0.22 2.23 1.43 -1.26 -4.81 118.68 109.10 2ror s LEU 114 Ca -0.16 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 2ror s LEU 114 Cb 0.07 -2.56 0.56 0.00 0.03 0.00 0.00 46.19 44.29 2ror s LEU 114 CO 0.65 -1.95 1.49 -0.67 0.23 0.00 0.00 176.35 176.10 2ror n ASP 115 N 10.36 4.18 -2.93 2.29 -0.08 -1.26 -1.59 116.55 127.52 2ror n ASP 115 Ca 0.18 -2.83 -0.17 0.00 -1.51 0.00 0.00 54.79 50.47 2ror n ASP 115 Cb 0.50 -0.67 -0.06 0.00 2.34 0.00 0.00 41.12 43.23 2ror n ASP 115 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2ror n THR 116 N 0.10 0.00 -4.24 5.18 5.66 -1.26 -4.74 114.28 114.98 2ror n THR 116 Ca 0.28 -1.82 -0.14 0.00 -3.05 0.00 0.00 64.05 59.32 2ror n THR 116 Cb 1.07 0.81 -0.10 0.00 -1.55 0.00 0.00 70.33 70.56 2ror n THR 116 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2ror s THR 117 N -2.89 0.12 -0.45 1.09 -1.32 -1.26 -0.70 115.64 110.22 2ror s THR 117 Ca 0.24 -2.00 -0.34 0.00 -1.21 0.00 0.00 61.69 58.38 2ror s THR 117 Cb 0.01 -2.52 -0.12 0.00 -1.51 0.00 0.00 72.50 68.35 2ror s THR 117 CO 0.17 0.00 2.29 0.18 -2.21 0.00 0.00 174.62 175.05 2ror n LEU 118 N -0.35 1.88 -0.09 9.08 4.77 -1.26 -4.81 117.00 126.22 2ror n LEU 118 Ca 0.02 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2ror n LEU 118 Cb 0.66 -1.25 -0.12 0.00 -2.33 0.00 0.00 43.42 40.37 2ror n LEU 118 CO 0.34 -0.85 -0.57 1.56 -1.33 0.00 0.00 177.39 176.53 2ror h GLN 119 N 13.26 0.04 -3.33 3.23 4.20 -1.72 -3.42 115.11 127.38 2ror h GLN 119 Ca -0.23 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.20 2ror h GLN 119 Cb 1.32 0.03 -0.28 0.00 0.30 0.00 0.00 27.48 28.84 2ror h GLN 119 CO 1.09 1.03 -0.56 -0.06 -0.67 0.00 0.00 178.83 179.66 2ror s PHE 120 N -2.39 -0.17 0.16 2.96 0.08 -0.98 -4.91 117.98 112.73 2ror s PHE 120 Ca -0.28 0.43 -0.03 0.00 0.12 0.00 0.00 56.93 57.18 2ror s PHE 120 Cb 0.06 0.01 0.04 0.00 -0.57 0.00 0.00 43.02 42.56 2ror s PHE 120 CO 0.62 -0.11 0.14 -0.35 -0.10 0.00 0.00 175.22 175.42 2ror n PRO 121 N 3.42 -1.30 0.05 0.24 -0.04 -1.26 0.89 135.00 137.00 2ror n PRO 121 Ca -0.17 -0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 62.94 2ror n PRO 121 Cb 0.57 -0.21 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 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 -1.67 -0.16 0.00 0.54 3.57 -1.24 -3.37 116.94 114.62 2ror h PHE 122 Ca -0.05 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2ror h PHE 122 Cb 0.16 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2ror h PHE 122 CO 0.00 0.27 0.00 1.63 -2.23 0.00 0.00 178.31 177.98 2ror n LYS 123 N -4.95 0.00 -3.61 1.11 5.02 -1.03 -5.02 118.16 109.68 2ror n LYS 123 Ca -0.09 0.48 -0.05 0.00 -2.02 0.00 0.00 58.31 56.63 2ror n LYS 123 Cb 0.26 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 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 -2.15 0.26 0.09 1.97 -1.05 -1.26 -5.12 118.70 111.44 2ror s GLU 124 Ca 0.00 0.03 -0.31 0.00 -0.15 0.00 0.00 54.97 54.54 2ror s GLU 124 Cb 0.00 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.74 2ror s GLU 124 CO 0.00 -0.09 1.37 -1.25 0.95 0.00 0.00 175.26 176.25 2ror s PRO 125 N -1.28 4.32 -0.30 -4.83 0.04 -1.26 -4.57 135.00 127.12 2ror s PRO 125 Ca 0.06 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 63.04 2ror s PRO 125 Cb -0.01 -3.31 0.17 0.00 0.04 0.00 0.00 34.50 31.39 2ror s PRO 125 CO -0.04 -0.44 0.83 -2.00 0.04 0.00 0.00 177.00 175.38 2ror s GLU 126 N 1.32 0.39 -1.04 4.56 2.12 -1.26 -5.06 118.70 119.74 2ror s GLU 126 Ca 0.64 0.79 -0.07 0.00 0.36 0.00 0.00 54.97 56.69 2ror s GLU 126 Cb -0.35 0.45 0.26 0.00 0.26 0.00 0.00 34.13 34.75 2ror s GLU 126 CO 0.30 -0.33 1.00 0.15 -0.54 0.00 0.00 175.26 175.83 2ror s LYS 127 N 2.81 3.91 -0.30 4.30 -0.14 -1.26 -4.93 119.74 124.13 2ror s LYS 127 Ca 0.06 -3.20 -0.17 0.00 -1.36 0.00 0.00 55.97 51.30 2ror s LYS 127 Cb -0.11 -4.38 0.18 0.00 -1.68 0.00 0.00 37.83 31.84 2ror s LYS 127 CO -0.17 -1.25 1.13 0.50 -0.76 0.00 0.00 175.35 174.80 2ror s ARG 128 N -1.22 0.16 -0.94 1.68 6.06 -1.26 -5.10 118.95 118.34 2ror s ARG 128 Ca 0.29 0.40 -0.24 0.00 -2.50 0.00 0.00 55.73 53.68 2ror s ARG 128 Cb -0.09 0.24 0.03 0.00 0.06 0.00 0.00 34.95 35.18 2ror s ARG 128 CO -0.09 -0.07 1.54 0.95 -2.50 0.00 0.00 175.30 175.13 2ror s THR 129 N 2.34 3.78 0.00 4.11 -4.23 -1.26 -4.50 115.64 115.87 2ror s THR 129 Ca -0.01 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2ror s THR 129 Cb -0.04 -4.79 0.00 0.00 1.34 0.00 0.00 72.50 69.01 2ror s THR 129 CO -0.16 -1.69 0.00 0.00 -0.54 0.00 0.00 174.62 172.23 2ror n ILE 130 N 7.02 0.00 -3.79 2.99 3.06 -1.26 -5.00 119.36 122.37 2ror n ILE 130 Ca 0.30 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 60.19 2ror n ILE 130 Cb 0.50 -0.33 -0.12 0.00 0.54 0.00 0.00 39.64 40.23 2ror n ILE 130 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2ror s SER 131 N -3.69 5.21 -0.15 9.51 0.15 -1.26 -4.91 113.70 118.56 2ror s SER 131 Ca 0.00 -1.91 0.17 0.00 0.70 0.00 0.00 55.95 54.91 2ror s SER 131 Cb 0.00 -1.81 -0.25 0.00 -1.71 0.00 0.00 66.02 62.25 2ror s SER 131 CO 0.00 -0.50 0.22 -2.11 1.20 0.00 0.00 173.24 172.05 2ror n ARG 132 N 4.60 0.68 -2.58 5.44 -4.01 -1.26 -4.86 116.66 114.67 2ror n ARG 132 Ca -0.04 0.05 -0.43 0.00 -1.04 0.00 0.00 57.85 56.39 2ror n ARG 132 Cb 0.42 -1.58 -0.02 0.00 -3.04 0.00 0.00 32.46 28.24 2ror n ARG 132 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2ror s SER 133 N -5.56 6.63 0.00 2.89 0.15 -1.26 -4.62 113.70 111.93 2ror s SER 133 Ca -0.09 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2ror s SER 133 Cb 0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2ror s SER 133 CO 0.83 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2ror n GLY 134 N 4.78 4.22 2.10 9.45 0.00 -1.26 -5.07 105.19 119.41 2ror n GLY 134 Ca 0.12 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 2ror n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ror n PRO 135 N 0.00 -2.31 -3.15 1.61 -0.04 -1.26 -5.00 135.00 124.85 2ror n PRO 135 Ca 0.00 -1.05 0.04 0.00 -0.04 0.00 0.00 63.50 62.45 2ror n PRO 135 Cb 0.00 -0.98 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2ror n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ror s SER 136 N -3.27 -1.34 0.42 3.54 0.15 -1.26 -4.85 113.70 107.09 2ror s SER 136 Ca 0.43 0.82 0.04 0.00 0.70 0.00 0.00 55.95 57.94 2ror s SER 136 Cb -0.04 2.12 -0.05 0.00 -1.71 0.00 0.00 66.02 66.33 2ror s SER 136 CO 0.33 -0.25 0.03 -0.55 1.20 0.00 0.00 173.24 174.00 2ror s SER 137 N 2.86 3.54 0.00 5.45 0.15 -1.26 -5.20 113.70 119.24 2ror s SER 137 Ca 0.19 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.36 2ror s SER 137 Cb -0.15 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2ror s SER 137 CO -0.21 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.20