#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 2.44 1.21 1.61 0.01 -1.26 -5.15 113.70 112.56 2ror s SER 2 Ca 0.00 -1.13 -0.14 0.00 1.31 0.00 0.00 55.95 55.99 2ror s SER 2 Cb 0.00 -0.11 0.31 0.00 0.21 0.00 0.00 66.02 66.43 2ror s SER 2 CO 0.00 -0.33 1.01 -0.55 0.41 0.00 0.00 173.24 173.78 2ror s SER 3 N -3.36 0.58 0.00 2.44 0.15 -1.26 -5.03 113.70 107.23 2ror s SER 3 Ca 0.26 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2ror s SER 3 Cb 0.03 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2ror s SER 3 CO 0.09 -4.44 0.00 0.61 1.20 0.00 0.00 173.24 170.70 2ror n GLY 4 N 0.95 3.39 3.64 9.45 0.00 -1.26 -5.14 105.19 116.22 2ror n GLY 4 Ca 0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.62 -0.17 1.61 1.04 -1.26 -4.96 113.70 109.34 2ror s SER 5 Ca 0.00 1.08 -0.12 0.00 0.48 0.00 0.00 55.95 57.39 2ror s SER 5 Cb 0.00 1.18 0.05 0.00 0.10 0.00 0.00 66.02 67.35 2ror s SER 5 CO 0.00 -0.18 0.43 -0.55 0.98 0.00 0.00 173.24 173.92 2ror s SER 6 N 0.91 -0.50 0.00 7.02 0.15 -1.26 -5.10 113.70 114.92 2ror s SER 6 Ca -0.04 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2ror s SER 6 Cb -0.05 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 2ror s SER 6 CO -0.11 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2ror n GLY 7 N 3.63 0.58 2.81 9.45 0.00 -1.26 -4.65 105.19 115.76 2ror n GLY 7 Ca -0.19 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 2ror n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ror s LYS 8 N -4.78 0.55 0.13 1.61 1.02 -1.26 -4.79 119.74 112.22 2ror s LYS 8 Ca 0.00 0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.80 2ror s LYS 8 Cb 0.00 -0.77 0.07 0.00 -0.52 0.00 0.00 37.83 36.61 2ror s LYS 8 CO 0.00 -0.19 0.70 0.00 -0.92 0.00 0.00 175.35 174.93 2ror s ALA 9 N 1.41 -1.63 -0.03 5.17 0.00 -1.26 -5.14 121.76 120.28 2ror s ALA 9 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2ror s ALA 9 Cb -0.13 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.77 2ror s ALA 9 CO -0.03 -0.78 -0.00 -1.83 0.00 0.00 0.00 175.76 173.12 2ror s GLU 10 N -3.58 0.38 0.02 0.00 1.03 -1.26 -5.06 118.70 110.23 2ror s GLU 10 Ca 0.03 0.06 -0.16 0.00 0.03 0.00 0.00 54.97 54.93 2ror s GLU 10 Cb -0.01 -0.55 0.03 0.00 -0.80 0.00 0.00 34.13 32.79 2ror s GLU 10 CO -0.10 -0.14 0.36 0.00 -1.33 0.00 0.00 175.26 174.05 2ror s ALA 11 N 1.07 -0.87 -0.06 -0.84 0.00 -1.26 -5.17 121.76 114.63 2ror s ALA 11 Ca -0.09 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 2ror s ALA 11 Cb -0.14 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2ror s ALA 11 CO -0.02 -0.37 0.27 -1.21 0.00 0.00 0.00 175.76 174.44 2ror s GLU 12 N -2.06 0.49 -0.27 0.00 0.41 -1.26 -5.15 118.70 110.86 2ror s GLU 12 Ca -0.08 0.05 -0.08 0.00 -0.41 0.00 0.00 54.97 54.45 2ror s GLU 12 Cb -0.02 0.22 0.13 0.00 -1.78 0.00 0.00 34.13 32.68 2ror s GLU 12 CO 0.00 -0.11 0.58 1.14 -0.49 0.00 0.00 175.26 176.38 2ror s GLN 13 N -0.66 0.51 -0.60 1.61 -2.07 -1.26 -5.10 119.66 112.09 2ror s GLN 13 Ca -0.08 1.27 0.05 0.00 -1.82 0.00 0.00 55.36 54.78 2ror s GLN 13 Cb -0.04 0.66 0.17 0.00 -1.09 0.00 0.00 33.01 32.70 2ror s GLN 13 CO 0.02 -0.27 0.43 -0.80 -1.32 0.00 0.00 175.29 173.35 2ror s ASN 14 N 2.81 3.71 -0.60 12.60 0.01 -1.26 -4.99 114.94 127.22 2ror s ASN 14 Ca -0.01 -3.54 0.06 0.00 -0.71 0.00 0.00 52.86 48.65 2ror s ASN 14 Cb -0.12 -1.23 0.23 0.00 0.41 0.00 0.00 41.25 40.53 2ror s ASN 14 CO -0.18 -0.12 0.63 0.79 -1.51 0.00 0.00 177.10 176.71 2ror n TRP 15 N 2.33 2.63 0.00 2.20 7.02 -1.26 -4.77 117.44 125.60 2ror n TRP 15 Ca 0.22 -4.04 0.00 0.00 -1.02 0.00 0.00 57.50 52.66 2ror n TRP 15 Cb 0.39 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.79 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 1.31 0.00 -2.36 -5.99 2.14 -1.26 -4.96 117.44 106.31 2ror n TRP 16 Ca 0.26 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 59.45 2ror n TRP 16 Cb 0.42 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.89 2ror n TRP 16 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 2ror s GLU 17 N -1.47 3.07 0.00 -2.67 2.12 -1.26 -4.05 118.70 114.44 2ror s GLU 17 Ca 0.00 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2ror s GLU 17 Cb 0.00 -4.64 0.00 0.00 0.26 0.00 0.00 34.13 29.75 2ror s GLU 17 CO 0.00 -2.47 0.00 0.41 -0.54 0.00 0.00 175.26 172.66 2ror n GLY 18 N 6.04 -0.36 3.68 -1.50 0.00 -1.26 -5.14 105.19 106.64 2ror n GLY 18 Ca 0.20 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.48 0.00 1.61 0.04 -1.26 -5.06 135.00 130.81 2ror s PRO 19 Ca 0.00 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2ror s PRO 19 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2ror s PRO 19 CO 0.00 -2.70 0.00 -0.35 0.04 0.00 0.00 177.00 173.99 2ror n PRO 20 N -4.16 -0.88 -1.14 0.56 -0.04 -1.26 -4.89 135.00 123.19 2ror n PRO 20 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 2ror n PRO 20 Cb 0.57 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2ror n PRO 20 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ror n GLN 21 N -1.41 0.00 -3.95 0.54 7.27 -1.26 -4.97 117.38 113.61 2ror n GLN 21 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 2ror n GLN 21 Cb 0.00 -0.82 -0.11 0.00 2.41 0.00 0.00 30.24 31.73 2ror n GLN 21 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2ror s ASP 22 N -0.81 0.17 0.54 1.69 2.15 -1.26 -5.01 116.67 114.14 2ror s ASP 22 Ca 0.52 -0.41 0.47 0.00 0.43 0.00 0.00 52.55 53.57 2ror s ASP 22 Cb -0.76 0.13 1.69 0.00 -0.30 0.00 0.00 42.92 43.69 2ror s ASP 22 CO 0.46 -0.32 1.59 -0.07 -0.17 0.00 0.00 175.17 176.65 2ror h LEU 23 N 4.54 0.03 -1.00 -1.34 3.38 -1.95 0.13 115.31 119.11 2ror h LEU 23 Ca -0.32 0.02 0.32 0.00 0.09 0.00 0.00 57.88 58.00 2ror h LEU 23 Cb 1.20 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.80 2ror h LEU 23 CO 0.41 -0.04 0.20 0.28 0.09 0.00 0.00 178.44 179.38 2ror h SER 24 N 0.00 -0.21 -0.88 -0.43 0.02 -1.95 0.53 113.55 110.63 2ror h SER 24 Ca 0.91 0.27 0.23 0.00 -0.84 0.00 0.00 61.79 62.36 2ror h SER 24 Cb 3.55 0.42 -0.15 0.00 0.14 0.00 0.00 62.40 66.36 2ror h SER 24 CO -0.08 -0.38 0.08 -0.37 -1.14 0.00 0.00 176.83 174.93 2ror h VAL 25 N 0.01 0.21 -4.04 2.27 -1.51 -1.12 -3.41 116.25 108.67 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 1.57 0.11 0.12 0.00 -2.13 0.00 0.00 31.29 30.96 2ror h VAL 25 CO -0.87 0.02 0.60 -1.00 -1.23 0.00 0.00 177.57 175.08 2ror s HIS 26 N -6.03 2.38 -1.05 5.19 4.02 0.18 -4.84 115.29 115.15 2ror s HIS 26 Ca -0.13 1.39 0.00 0.00 1.02 0.00 0.00 55.06 57.34 2ror s HIS 26 Cb 0.26 -3.75 0.02 0.00 -1.02 0.00 0.00 32.58 28.09 2ror s HIS 26 CO 0.77 -2.71 0.99 1.28 1.02 0.00 0.00 174.74 176.09 2ror n LEU 27 N -0.87 0.00 -3.94 0.89 4.77 -1.26 -4.39 117.00 112.19 2ror n LEU 27 Ca 0.09 0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 56.32 2ror n LEU 27 Cb 0.45 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 40.90 2ror n LEU 27 CO 0.53 -0.47 -0.44 -1.66 -1.33 0.00 0.00 177.39 174.02 2ror s TRP 28 N -2.95 1.12 -0.11 -1.77 1.48 -1.26 -1.75 118.94 113.70 2ror s TRP 28 Ca 0.00 -0.40 -0.11 0.00 -1.06 0.00 0.00 56.10 54.54 2ror s TRP 28 Cb 0.00 -0.90 0.03 0.00 -1.16 0.00 0.00 33.47 31.44 2ror s TRP 28 CO 0.01 -0.27 0.30 -0.47 -4.06 0.00 0.00 176.95 172.46 2ror s TYR 29 N 0.93 -0.32 -0.26 1.66 5.04 -1.26 -4.68 117.35 118.46 2ror s TYR 29 Ca -0.10 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.28 2ror s TYR 29 Cb -0.15 0.11 0.15 0.00 0.35 0.00 0.00 41.96 42.42 2ror s TYR 29 CO 0.01 -0.17 0.43 0.00 -1.34 0.00 0.00 175.55 174.48 2ror s ALA 30 N 0.07 -1.39 0.44 3.97 0.00 0.33 -4.66 121.76 120.53 2ror s ALA 30 Ca -0.01 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 2ror s ALA 30 Cb -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.30 2ror s ALA 30 CO 0.01 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.90 2ror n GLY 31 N 5.38 -1.12 0.00 0.00 0.00 -1.26 -3.29 105.19 104.90 2ror n GLY 31 Ca -0.03 -1.17 0.03 0.00 0.00 0.00 0.00 46.02 44.85 2ror n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ror n PRO 32 N 0.00 0.49 -0.69 1.61 -0.04 -1.26 -2.71 135.00 132.40 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 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.70 0.00 -2.29 0.54 1.56 -1.26 -4.92 117.12 110.06 2ror n MET 33 Ca 0.05 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.22 2ror n MET 33 Cb 0.02 -0.56 0.12 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 -0.34 1.48 0.02 2.12 -1.05 -1.26 -4.81 118.70 114.86 2ror s GLU 34 Ca 0.35 -0.68 -0.05 0.00 -0.15 0.00 0.00 54.97 54.44 2ror s GLU 34 Cb -0.50 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 2ror s GLU 34 CO 0.27 -1.69 1.08 -0.09 0.95 0.00 0.00 175.26 175.78 2ror h ARG 35 N -0.89 -0.05 -0.72 -4.83 1.12 -2.00 0.18 114.38 107.20 2ror h ARG 35 Ca -0.41 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 58.67 2ror h ARG 35 Cb 1.27 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 31.21 2ror h ARG 35 CO 0.44 -0.04 0.51 0.00 -3.11 0.00 0.00 179.97 177.78 2ror h ALA 36 N -1.07 2.64 0.00 2.80 0.00 -1.98 0.27 119.26 121.92 2ror h ALA 36 Ca 0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2ror h ALA 36 Cb 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ror h ALA 36 CO -0.10 -0.85 -0.31 0.78 0.00 0.00 0.00 179.25 178.78 2ror h GLY 37 N 0.02 0.00 0.00 0.00 0.00 -1.07 -2.62 103.07 99.41 2ror h GLY 37 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2ror h GLY 37 CO -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 175.93 2ror n ALA 38 N -2.38 0.52 -0.31 3.60 0.00 0.81 -4.20 120.51 118.55 2ror n ALA 38 Ca -0.01 -0.50 0.17 0.00 0.00 0.00 0.00 53.44 53.10 2ror n ALA 38 Cb 0.39 0.02 0.34 0.00 0.00 0.00 0.00 19.45 20.20 2ror n ALA 38 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ror h GLU 39 N -0.94 0.15 -0.93 0.00 5.08 -1.27 0.81 114.58 117.49 2ror h GLU 39 Ca 0.00 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.52 2ror h GLU 39 Cb 0.59 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 2ror h GLU 39 CO 0.00 0.10 0.59 1.03 -1.00 0.00 0.00 179.01 179.73 2ror h SER 40 N 0.15 0.64 0.00 1.42 0.87 -1.67 0.69 113.55 115.65 2ror h SER 40 Ca 0.61 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 2ror h SER 40 Cb 1.32 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2ror h SER 40 CO -0.72 0.29 0.00 -0.38 -0.53 0.00 0.00 176.83 175.49 2ror n ILE 41 N -4.59 0.00 0.28 2.23 5.41 0.28 -1.84 119.36 121.13 2ror n ILE 41 Ca 0.19 0.93 0.17 0.00 1.00 0.00 0.00 62.75 65.05 2ror n ILE 41 Cb 0.54 -1.86 0.85 0.00 -0.71 0.00 0.00 39.64 38.47 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 0.27 1.39 -0.00 -1.41 0.39 115.31 115.94 2ror h LEU 42 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2ror h LEU 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2ror h LEU 42 CO 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 178.44 178.31 2ror h ALA 43 N 1.47 -0.48 -0.65 1.53 0.00 0.37 -3.33 119.26 118.17 2ror h ALA 43 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ror h ALA 43 Cb 0.65 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2ror h ALA 43 CO -0.00 -0.46 0.30 -0.91 0.00 0.00 0.00 179.25 178.19 2ror h ASN 44 N -0.77 0.83 -3.04 0.00 2.35 -0.89 -3.44 115.58 110.63 2ror h ASN 44 Ca -0.04 -0.09 -0.36 0.00 -0.55 0.00 0.00 56.30 55.27 2ror h ASN 44 Cb 0.27 -0.21 0.19 0.00 0.05 0.00 0.00 38.32 38.62 2ror h ASN 44 CO 0.06 0.71 -0.02 0.54 -1.65 0.00 0.00 177.43 177.08 2ror n ARG 45 N -4.34 -3.80 -2.14 0.81 3.00 0.09 -4.96 116.66 105.32 2ror n ARG 45 Ca 0.06 -1.51 -0.37 0.00 -0.01 0.00 0.00 57.85 56.01 2ror n ARG 45 Cb 0.14 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.96 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 -3.70 5.92 -0.26 0.55 0.01 -1.26 -4.89 113.70 110.07 2ror s SER 46 Ca 0.65 2.42 -0.28 0.00 1.31 0.00 0.00 55.95 60.04 2ror s SER 46 Cb -0.09 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2ror s SER 46 CO 0.52 -1.10 2.23 1.51 0.41 0.00 0.00 173.24 176.81 2ror s ASP 47 N -1.28 5.34 0.00 2.44 1.47 -1.26 -2.36 116.67 121.02 2ror s ASP 47 Ca 0.66 1.77 0.00 0.00 1.18 0.00 0.00 52.55 56.16 2ror s ASP 47 Cb -0.31 -2.51 0.00 0.00 -0.34 0.00 0.00 42.92 39.76 2ror s ASP 47 CO 0.38 -2.07 0.00 0.61 0.68 0.00 0.00 175.17 174.77 2ror n GLY 48 N 5.79 0.43 3.76 2.12 0.00 -1.06 -4.98 105.19 111.25 2ror n GLY 48 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.20 3.24 0.23 2.61 2.01 -1.00 -1.53 115.64 120.00 2ror s THR 49 Ca 0.00 0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.22 2ror s THR 49 Cb 0.00 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.62 2ror s THR 49 CO 0.00 -0.52 0.58 0.72 -0.69 0.00 0.00 174.62 174.71 2ror s PHE 50 N -2.93 -0.07 0.28 4.92 -0.12 0.26 -1.88 117.98 118.45 2ror s PHE 50 Ca 0.61 -0.31 -0.19 0.00 -0.05 0.00 0.00 56.93 56.99 2ror s PHE 50 Cb -0.17 0.47 0.06 0.00 -0.63 0.00 0.00 43.02 42.75 2ror s PHE 50 CO 0.56 -1.04 0.89 -0.48 -0.05 0.00 0.00 175.22 175.10 2ror s LEU 51 N -2.91 -0.04 -0.23 -1.99 0.05 -0.91 -1.30 118.68 111.36 2ror s LEU 51 Ca 0.12 -0.86 0.01 0.00 0.05 0.00 0.00 54.13 53.45 2ror s LEU 51 Cb -0.03 2.50 0.04 0.00 -2.05 0.00 0.00 46.19 46.66 2ror s LEU 51 CO 0.02 -1.34 -0.12 -0.69 -0.55 0.00 0.00 176.35 173.67 2ror s VAL 52 N -2.50 2.36 0.40 1.48 1.01 -1.26 -2.62 120.40 119.28 2ror s VAL 52 Ca 0.17 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 61.00 2ror s VAL 52 Cb -0.04 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2ror s VAL 52 CO 0.08 0.22 0.55 -0.13 0.00 0.00 0.00 175.10 175.82 2ror s ARG 53 N 1.23 2.89 0.11 2.72 0.52 0.14 -0.51 118.95 126.04 2ror s ARG 53 Ca -0.02 -1.20 0.03 0.00 -0.52 0.00 0.00 55.73 54.03 2ror s ARG 53 Cb -0.17 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 2ror s ARG 53 CO -0.07 -0.20 -0.09 -1.14 0.02 0.00 0.00 175.30 173.81 2ror s GLN 54 N -4.31 0.89 0.39 3.54 0.74 -1.10 0.28 119.66 120.08 2ror s GLN 54 Ca 0.53 -1.27 0.01 0.00 0.05 0.00 0.00 55.36 54.68 2ror s GLN 54 Cb -0.10 -0.47 -0.02 0.00 1.10 0.00 0.00 33.01 33.52 2ror s GLN 54 CO 0.33 0.05 0.59 1.03 -0.55 0.00 0.00 175.29 176.74 2ror s ARG 55 N -3.27 3.33 0.00 1.67 1.81 -1.00 -4.47 118.95 117.02 2ror s ARG 55 Ca 0.10 -0.40 0.15 0.00 -1.72 0.00 0.00 55.73 53.85 2ror s ARG 55 Cb 0.00 -2.62 -0.04 0.00 -0.45 0.00 0.00 34.95 31.84 2ror s ARG 55 CO -0.01 -0.01 0.76 1.33 -0.68 0.00 0.00 175.30 176.69 2ror n VAL 56 N -1.90 0.00 -0.05 3.52 0.24 -1.26 -4.52 118.33 114.37 2ror n VAL 56 Ca -0.02 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.34 61.78 2ror n VAL 56 Cb 0.57 1.13 -0.13 0.00 -1.47 0.00 0.00 33.84 33.94 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 1.26 0.10 -3.33 7.34 1.57 -1.99 -3.45 116.57 118.09 2ror h LYS 57 Ca 0.00 -0.18 -0.55 0.00 -1.87 0.00 0.00 60.65 58.05 2ror h LYS 57 Cb 0.46 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 32.44 2ror h LYS 57 CO 0.00 1.09 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.69 2ror s ASP 58 N -6.77 3.56 0.23 0.86 1.01 -1.26 -5.00 116.67 109.29 2ror s ASP 58 Ca -0.22 -1.30 0.09 0.00 0.71 0.00 0.00 52.55 51.82 2ror s ASP 58 Cb 0.03 -0.64 0.74 0.00 1.01 0.00 0.00 42.92 44.06 2ror s ASP 58 CO 0.69 -0.39 1.06 0.00 0.21 0.00 0.00 175.17 176.74 2ror n ALA 59 N 5.02 0.54 -1.46 5.23 0.00 -1.26 -2.09 120.51 126.50 2ror n ALA 59 Ca -0.05 0.70 -0.42 0.00 0.00 0.00 0.00 53.44 53.67 2ror n ALA 59 Cb 0.44 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.86 4.62 -3.64 0.00 0.00 -1.26 -4.76 120.51 112.62 2ror n ALA 60 Ca 0.21 -3.60 -0.02 0.00 0.00 0.00 0.00 53.44 50.03 2ror n ALA 60 Cb 0.72 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.53 2ror n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 61 N 3.95 0.38 0.42 0.00 2.02 -0.89 -4.29 118.70 120.29 2ror s GLU 61 Ca 0.52 0.66 0.04 0.00 0.02 0.00 0.00 54.97 56.21 2ror s GLU 61 Cb 0.14 0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.43 2ror s GLU 61 CO 0.00 -0.08 0.11 -0.06 0.02 0.00 0.00 175.26 175.25 2ror s PHE 62 N 1.38 1.81 0.21 1.61 0.08 -1.24 -2.37 117.98 119.45 2ror s PHE 62 Ca -0.09 -1.23 -0.18 0.00 0.12 0.00 0.00 56.93 55.55 2ror s PHE 62 Cb -0.04 -1.22 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 2ror s PHE 62 CO -0.15 -0.22 0.55 0.00 -0.10 0.00 0.00 175.22 175.29 2ror s ALA 63 N -3.18 -0.93 -0.12 5.36 0.00 0.14 0.22 121.76 123.25 2ror s ALA 63 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2ror s ALA 63 Cb 0.03 0.87 0.03 0.00 0.00 0.00 0.00 23.12 24.05 2ror s ALA 63 CO 0.13 -0.84 -0.06 0.42 0.00 0.00 0.00 175.76 175.41 2ror s ILE 64 N -3.89 0.98 -0.24 0.00 1.01 -0.39 0.27 121.20 118.94 2ror s ILE 64 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2ror s ILE 64 Cb -0.02 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.40 2ror s ILE 64 CO -0.01 0.29 -0.04 -0.44 0.00 0.00 0.00 174.94 174.74 2ror s SER 65 N 1.71 4.36 -0.00 3.58 0.01 -1.08 -0.77 113.70 121.52 2ror s SER 65 Ca 0.04 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.69 2ror s SER 65 Cb -0.13 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 2ror s SER 65 CO -0.08 -0.09 -0.13 -0.51 0.41 0.00 0.00 173.24 172.85 2ror s ILE 66 N 1.41 1.01 0.06 1.44 -1.16 -0.99 -2.13 121.20 120.83 2ror s ILE 66 Ca 0.03 -0.62 -0.22 0.00 -0.51 0.00 0.00 60.65 59.34 2ror s ILE 66 Cb -0.16 -0.85 -0.06 0.00 0.61 0.00 0.00 42.46 42.00 2ror s ILE 66 CO -0.03 0.23 0.65 -0.75 -2.81 0.00 0.00 174.94 172.23 2ror s LYS 67 N -0.44 4.36 -0.29 3.50 2.47 -0.79 -1.29 119.74 127.26 2ror s LYS 67 Ca 0.04 0.88 -0.21 0.00 -1.56 0.00 0.00 55.97 55.12 2ror s LYS 67 Cb -0.05 -3.30 0.17 0.00 -1.46 0.00 0.00 37.83 33.19 2ror s LYS 67 CO -0.00 0.48 1.21 -0.47 0.16 0.00 0.00 175.35 176.73 2ror s TYR 68 N -0.63 -0.26 -0.79 4.03 5.04 -0.25 -2.55 117.35 121.94 2ror s TYR 68 Ca 0.33 0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 55.51 2ror s TYR 68 Cb -0.20 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 2ror s TYR 68 CO 0.21 -0.12 0.67 -1.71 -1.34 0.00 0.00 175.55 173.25 2ror n ASN 69 N 2.54 -2.64 -1.94 4.32 4.05 -1.26 -2.59 115.26 117.75 2ror n ASN 69 Ca -0.14 -0.43 -0.07 0.00 0.45 0.00 0.00 54.58 54.39 2ror n ASN 69 Cb 0.57 -3.64 -0.01 0.00 1.23 0.00 0.00 39.78 37.92 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 -3.03 -0.18 -3.71 3.44 0.24 -1.26 -4.87 118.33 108.96 2ror n VAL 70 Ca -0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 2ror n VAL 70 Cb 0.61 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 32.06 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 0.49 -0.21 7.34 0.41 -1.07 -5.11 118.70 116.56 2ror s GLU 71 Ca 0.00 0.69 -0.16 0.00 -0.41 0.00 0.00 54.97 55.09 2ror s GLU 71 Cb 0.00 0.17 -0.04 0.00 -1.78 0.00 0.00 34.13 32.48 2ror s GLU 71 CO 0.00 -0.09 0.40 0.08 -0.49 0.00 0.00 175.26 175.15 2ror s VAL 72 N 0.61 5.19 0.43 2.63 1.01 -1.26 -1.09 120.40 127.93 2ror s VAL 72 Ca -0.03 0.69 0.08 0.00 0.00 0.00 0.00 61.98 62.72 2ror s VAL 72 Cb -0.05 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2ror s VAL 72 CO -0.04 0.24 0.58 -0.54 0.00 0.00 0.00 175.10 175.35 2ror s LYS 73 N 1.41 2.77 -0.13 2.72 -0.14 -0.41 -4.95 119.74 121.01 2ror s LYS 73 Ca 0.19 -1.29 -0.14 0.00 -1.36 0.00 0.00 55.97 53.37 2ror s LYS 73 Cb -0.15 -2.74 0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2ror s LYS 73 CO 0.08 -0.32 0.38 -1.01 -0.76 0.00 0.00 175.35 173.71 2ror s HIS 74 N -2.38 -0.39 -0.10 3.18 3.76 -1.26 -2.35 115.29 115.74 2ror s HIS 74 Ca 0.55 0.93 0.03 0.00 -0.15 0.00 0.00 55.06 56.42 2ror s HIS 74 Cb -0.09 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.74 2ror s HIS 74 CO 0.33 -0.23 -0.21 0.42 -0.85 0.00 0.00 174.74 174.21 2ror s ILE 75 N -0.01 1.85 -0.14 0.60 1.01 0.05 -4.93 121.20 119.63 2ror s ILE 75 Ca -0.02 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.53 2ror s ILE 75 Cb -0.03 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2ror s ILE 75 CO 0.01 0.51 0.67 -0.75 0.00 0.00 0.00 174.94 175.39 2ror s LYS 76 N 0.57 4.32 -0.16 2.79 2.20 -1.26 -1.27 119.74 126.95 2ror s LYS 76 Ca -0.14 0.77 -0.08 0.00 -0.36 0.00 0.00 55.97 56.15 2ror s LYS 76 Cb -0.17 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 2ror s LYS 76 CO 0.05 -0.10 0.13 0.42 -0.36 0.00 0.00 175.35 175.49 2ror s ILE 77 N 1.40 5.44 0.07 5.43 1.01 0.13 -4.80 121.20 129.88 2ror s ILE 77 Ca 0.33 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.21 2ror s ILE 77 Cb -0.17 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2ror s ILE 77 CO 0.14 0.54 0.01 -0.04 0.00 0.00 0.00 174.94 175.58 2ror s MET 78 N -0.40 2.64 -0.07 2.79 -1.94 -1.26 -3.64 119.30 117.42 2ror s MET 78 Ca 0.12 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.30 2ror s MET 78 Cb -0.12 -2.59 0.04 0.00 2.01 0.00 0.00 34.83 34.17 2ror s MET 78 CO 0.01 0.56 0.14 0.95 -0.01 0.00 0.00 175.02 176.67 2ror s THR 79 N -1.27 -0.10 0.00 2.05 -4.23 -1.26 -3.57 115.64 107.27 2ror s THR 79 Ca 0.25 0.23 -0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2ror s THR 79 Cb -0.12 -0.24 -0.00 0.00 1.34 0.00 0.00 72.50 73.49 2ror s THR 79 CO 0.17 0.09 -0.00 0.00 -0.54 0.00 0.00 174.62 174.34 2ror n ALA 80 N 4.48 2.65 -2.06 3.99 0.00 -1.25 -4.87 120.51 123.45 2ror n ALA 80 Ca -0.21 -0.03 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 2ror n ALA 80 Cb 0.51 0.02 0.03 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.58 3.13 -1.79 0.00 -0.58 -1.26 -4.83 120.64 112.73 2ror n GLU 81 Ca -0.00 -3.96 -0.04 0.00 -0.42 0.00 0.00 57.16 52.74 2ror n GLU 81 Cb 0.00 -2.27 -0.01 0.00 -0.57 0.00 0.00 31.44 28.60 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 -0.60 0.35 3.23 0.62 0.00 -1.26 -5.04 105.19 102.49 2ror n GLY 82 Ca 0.48 -0.76 -0.28 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 -1.16 2.04 -0.12 0.99 1.43 -1.26 -4.68 118.68 115.90 2ror s LEU 83 Ca 0.00 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2ror s LEU 83 Cb 0.00 -1.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 2ror s LEU 83 CO 0.00 0.26 -0.19 -0.31 0.23 0.00 0.00 176.35 176.34 2ror s TYR 84 N -0.46 2.69 -0.27 0.29 1.51 -1.06 -3.79 117.35 116.26 2ror s TYR 84 Ca 0.07 -0.93 -0.24 0.00 -1.01 0.00 0.00 57.07 54.96 2ror s TYR 84 Cb -0.09 -1.80 0.09 0.00 -0.11 0.00 0.00 41.96 40.06 2ror s TYR 84 CO -0.00 -0.37 0.81 -0.98 -1.11 0.00 0.00 175.55 173.90 2ror s ARG 85 N 0.46 0.73 0.18 -0.62 1.70 -1.23 -0.07 118.95 120.10 2ror s ARG 85 Ca -0.13 0.89 0.22 0.00 -0.47 0.00 0.00 55.73 56.25 2ror s ARG 85 Cb -0.17 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 2ror s ARG 85 CO 0.05 -0.09 1.00 0.44 -1.08 0.00 0.00 175.30 175.63 2ror n ILE 86 N 2.67 0.57 -4.14 4.99 -5.35 -1.26 -4.00 119.36 112.84 2ror n ILE 86 Ca -0.14 -0.54 -0.10 0.00 -0.27 0.00 0.00 62.75 61.70 2ror n ILE 86 Cb 0.56 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 38.05 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2ror s THR 87 N -3.37 0.07 0.06 7.28 -4.23 -1.25 -5.05 115.64 109.14 2ror s THR 87 Ca -0.01 -1.87 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2ror s THR 87 Cb 0.10 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.87 2ror s THR 87 CO 0.80 -0.33 1.58 1.05 -0.54 0.00 0.00 174.62 177.18 2ror h GLU 88 N 2.76 0.00 0.53 3.99 4.11 -2.04 -3.32 114.58 120.61 2ror h GLU 88 Ca -0.35 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.06 2ror h GLU 88 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2ror h GLU 88 CO 0.56 0.50 -0.25 0.87 0.07 0.00 0.00 179.01 180.76 2ror h LYS 89 N 0.00 -0.69 -5.93 1.06 1.57 -2.02 -3.45 116.57 107.12 2ror h LYS 89 Ca -0.01 0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 58.20 2ror h LYS 89 Cb 1.17 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.60 2ror h LYS 89 CO 0.07 -0.43 -0.50 0.21 -0.57 0.00 0.00 179.45 178.22 2ror s LYS 90 N -4.01 3.42 0.24 3.15 2.47 -1.25 -5.11 119.74 118.64 2ror s LYS 90 Ca -0.11 -0.46 -0.15 0.00 -1.56 0.00 0.00 55.97 53.69 2ror s LYS 90 Cb 0.01 -3.02 0.01 0.00 -1.46 0.00 0.00 37.83 33.36 2ror s LYS 90 CO 0.35 0.60 0.53 0.00 0.16 0.00 0.00 175.35 176.99 2ror s ALA 91 N -1.52 -0.58 0.19 3.13 0.00 -1.26 -3.97 121.76 117.76 2ror s ALA 91 Ca 0.35 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2ror s ALA 91 Cb -0.13 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2ror s ALA 91 CO 0.28 -0.88 0.14 -0.06 0.00 0.00 0.00 175.76 175.23 2ror s PHE 92 N -3.97 1.10 -0.03 0.00 0.40 0.91 -4.98 117.98 111.40 2ror s PHE 92 Ca 0.17 -1.34 0.18 0.00 -0.60 0.00 0.00 56.93 55.34 2ror s PHE 92 Cb -0.02 -0.52 -0.28 0.00 0.51 0.00 0.00 43.02 42.71 2ror s PHE 92 CO 0.06 -0.64 0.38 2.89 0.70 0.00 0.00 175.22 178.61 2ror n ARG 93 N -0.26 0.59 -3.75 0.44 0.00 -1.26 -2.56 116.66 109.86 2ror n ARG 93 Ca 0.01 -0.16 -0.13 0.00 -0.00 0.00 0.00 57.85 57.58 2ror n ARG 93 Cb 0.66 -1.43 -0.08 0.00 -0.00 0.00 0.00 32.46 31.61 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 -4.16 -0.15 0.39 2.89 0.00 -1.26 -4.63 107.32 100.40 2ror s GLY 94 Ca -0.07 0.19 0.09 0.00 0.00 0.00 0.00 44.72 44.93 2ror s GLY 94 CO 0.75 -0.03 1.97 -2.00 0.00 0.00 0.00 173.10 173.79 2ror h LEU 95 N 3.50 0.55 0.53 0.66 5.85 -1.95 -2.27 115.31 122.19 2ror h LEU 95 Ca -0.31 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2ror h LEU 95 Cb 1.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 2ror h LEU 95 CO 0.43 0.35 -0.34 0.74 -0.34 0.00 0.00 178.44 179.27 2ror h THR 96 N 0.62 0.00 -0.66 1.05 2.02 -2.00 -2.42 112.91 111.53 2ror h THR 96 Ca 0.29 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.60 2ror h THR 96 Cb 0.35 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.67 2ror h THR 96 CO -0.09 0.00 0.19 -0.33 0.37 0.00 0.00 175.52 175.66 2ror h GLU 97 N -0.82 0.32 -0.88 6.66 4.39 -1.91 0.23 114.58 122.56 2ror h GLU 97 Ca -0.07 -0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.82 2ror h GLU 97 Cb 0.66 -0.07 -0.12 0.00 -0.10 0.00 0.00 28.75 29.12 2ror h GLU 97 CO 0.06 0.21 0.39 1.25 -1.16 0.00 0.00 179.01 179.77 2ror h LEU 98 N 0.33 0.35 0.12 1.33 6.46 -1.26 0.55 115.31 123.19 2ror h LEU 98 Ca 0.35 0.14 -0.16 0.00 -0.12 0.00 0.00 57.88 58.10 2ror h LEU 98 Cb 0.53 0.12 0.02 0.00 -0.73 0.00 0.00 40.66 40.59 2ror h LEU 98 CO -0.40 0.03 -0.68 0.58 -0.62 0.00 0.00 178.44 177.35 2ror h VAL 99 N 0.43 1.56 0.00 1.05 2.07 -0.58 -2.90 116.25 117.87 2ror h VAL 99 Ca 0.54 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2ror h VAL 99 Cb 0.99 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 2ror h VAL 99 CO -0.50 0.70 0.00 -0.62 0.02 0.00 0.00 177.57 177.17 2ror n GLU 100 N -4.20 0.15 -0.12 1.57 -0.58 0.62 -2.82 120.64 115.25 2ror n GLU 100 Ca -0.13 0.19 -0.25 0.00 -0.42 0.00 0.00 57.16 56.54 2ror n GLU 100 Cb 0.76 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 30.04 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 -1.28 0.31 -0.24 -0.32 7.35 0.18 -4.48 117.46 118.98 2ror n PHE 101 Ca 0.05 0.13 0.04 0.00 -0.76 0.00 0.00 57.45 56.91 2ror n PHE 101 Cb 0.08 -0.98 0.15 0.00 0.35 0.00 0.00 39.48 39.08 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 0.04 -0.49 -5.13 0.05 -1.35 0.40 116.97 109.50 2ror h TYR 102 Ca -0.53 0.05 0.14 0.00 0.05 0.00 0.00 58.73 58.44 2ror h TYR 102 Cb 1.45 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 39.26 2ror h TYR 102 CO -0.07 -0.18 0.95 1.96 -1.05 0.00 0.00 178.16 179.76 2ror h GLN 103 N 0.15 0.00 0.00 4.88 4.20 -1.77 0.65 115.11 123.21 2ror h GLN 103 Ca 0.39 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.77 2ror h GLN 103 Cb 0.68 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2ror h GLN 103 CO -0.59 0.00 -2.25 1.04 -0.67 0.00 0.00 178.83 176.36 2ror n GLN 104 N -3.01 0.80 -3.65 1.46 6.02 0.13 -4.72 117.38 114.42 2ror n GLN 104 Ca 0.10 0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.78 2ror n GLN 104 Cb 1.11 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 30.80 2ror n GLN 104 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ror s ASN 105 N -5.75 5.55 0.30 1.08 2.20 0.23 -5.07 114.94 113.48 2ror s ASN 105 Ca -0.21 -0.67 -0.30 0.00 -0.94 0.00 0.00 52.86 50.75 2ror s ASN 105 Cb 0.07 -1.99 -0.11 0.00 -2.00 0.00 0.00 41.25 37.21 2ror s ASN 105 CO 0.60 -0.24 1.53 -0.55 -2.94 0.00 0.00 177.10 175.50 2ror s SER 106 N 1.58 6.45 0.03 3.54 0.15 -1.25 -4.51 113.70 119.69 2ror s SER 106 Ca 0.04 2.89 0.02 0.00 0.70 0.00 0.00 55.95 59.59 2ror s SER 106 Cb -0.18 -2.64 0.10 0.00 -1.71 0.00 0.00 66.02 61.60 2ror s SER 106 CO 0.06 -0.84 1.04 0.18 1.20 0.00 0.00 173.24 174.88 2ror n LEU 107 N 1.88 0.05 0.21 3.45 4.32 -1.16 -1.39 117.00 124.37 2ror n LEU 107 Ca 0.06 0.51 0.15 0.00 -0.02 0.00 0.00 56.01 56.71 2ror n LEU 107 Cb 0.39 -0.51 0.72 0.00 -1.62 0.00 0.00 43.42 42.39 2ror n LEU 107 CO 0.63 -0.52 0.95 0.07 -1.22 0.00 0.00 177.39 177.29 2ror h LYS 108 N 0.00 0.00 -0.05 3.23 2.10 -1.07 0.66 116.57 121.44 2ror h LYS 108 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2ror h LYS 108 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2ror h LYS 108 CO 0.00 0.00 -0.15 0.22 -2.00 0.00 0.00 179.45 177.52 2ror h ASP 109 N 0.00 0.21 0.00 7.07 3.58 -1.51 -3.40 116.42 122.38 2ror h ASP 109 Ca 0.00 -0.61 -0.35 0.00 0.42 0.00 0.00 57.03 56.49 2ror h ASP 109 Cb 0.20 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 2ror h ASP 109 CO 0.00 0.79 -1.91 0.00 -2.88 0.00 0.00 179.24 175.23 2ror s PHE 111 N -2.44 3.32 -0.61 0.00 0.08 0.23 -4.95 117.98 113.61 2ror s PHE 111 Ca -0.34 0.48 0.26 0.00 0.12 0.00 0.00 56.93 57.45 2ror s PHE 111 Cb 0.10 -2.50 0.85 0.00 -0.57 0.00 0.00 43.02 40.90 2ror s PHE 111 CO 0.53 -0.08 1.76 1.57 -0.10 0.00 0.00 175.22 178.90 2ror h LYS 112 N 7.69 0.00 0.03 0.44 -0.00 -1.79 -3.25 116.57 119.69 2ror h LYS 112 Ca -0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.30 2ror h LYS 112 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2ror h LYS 112 CO 0.68 0.00 -0.02 0.77 -0.00 0.00 0.00 179.45 180.88 2ror h SER 113 N 0.00 -0.04 -3.46 7.07 0.02 -1.92 -3.43 113.55 111.79 2ror h SER 113 Ca 0.00 -0.57 -0.59 0.00 -0.84 0.00 0.00 61.79 59.79 2ror h SER 113 Cb 0.65 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.11 2ror h SER 113 CO 0.00 0.71 0.68 -0.76 -1.14 0.00 0.00 176.83 176.32 2ror s LEU 114 N -8.50 3.96 -0.29 5.07 1.43 -1.24 -4.90 118.68 114.21 2ror s LEU 114 Ca -0.12 0.70 0.11 0.00 -1.03 0.00 0.00 54.13 53.78 2ror s LEU 114 Cb -0.01 -3.34 0.65 0.00 0.03 0.00 0.00 46.19 43.51 2ror s LEU 114 CO 0.45 -0.88 1.66 0.47 0.23 0.00 0.00 176.35 178.28 2ror n ASP 115 N 6.85 4.13 -4.10 2.29 8.00 -1.26 -0.93 116.55 131.53 2ror n ASP 115 Ca 0.08 -3.29 -0.09 0.00 0.71 0.00 0.00 54.79 52.20 2ror n ASP 115 Cb 0.48 -0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.02 0.13 0.47 -3.53 -1.32 -1.26 -4.79 115.64 102.32 2ror s THR 116 Ca 0.50 -1.79 0.05 0.00 -1.21 0.00 0.00 61.69 59.25 2ror s THR 116 Cb 0.41 -1.87 -0.02 0.00 -1.51 0.00 0.00 72.50 69.51 2ror s THR 116 CO 0.10 -0.57 0.17 0.28 -2.21 0.00 0.00 174.62 172.39 2ror s THR 117 N -4.00 1.83 -0.24 5.08 -1.32 -1.26 -2.96 115.64 112.76 2ror s THR 117 Ca 0.18 -1.76 -0.28 0.00 -1.21 0.00 0.00 61.69 58.63 2ror s THR 117 Cb 0.07 -2.58 -0.05 0.00 -1.51 0.00 0.00 72.50 68.43 2ror s THR 117 CO -0.02 0.00 2.17 -0.76 -2.21 0.00 0.00 174.62 173.80 2ror s LEU 118 N -3.97 3.44 -0.19 9.08 1.02 -1.26 -4.84 118.68 121.96 2ror s LEU 118 Ca 0.30 1.79 -0.22 0.00 0.02 0.00 0.00 54.13 56.02 2ror s LEU 118 Cb 0.02 -3.50 -0.21 0.00 0.02 0.00 0.00 46.19 42.52 2ror s LEU 118 CO 0.17 -1.95 0.34 1.56 0.02 0.00 0.00 176.35 176.49 2ror h GLN 119 N 14.85 0.03 -3.45 1.70 1.08 -1.60 -3.41 115.11 124.31 2ror h GLN 119 Ca -0.40 -0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 56.55 2ror h GLN 119 Cb 1.23 0.02 -0.28 0.00 -0.05 0.00 0.00 27.48 28.40 2ror h GLN 119 CO 0.97 1.02 -0.60 -0.06 -0.95 0.00 0.00 178.83 179.21 2ror s PHE 120 N -2.35 -0.12 0.00 2.96 0.08 -0.85 -4.85 117.98 112.85 2ror s PHE 120 Ca -0.26 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.09 2ror s PHE 120 Cb 0.04 0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2ror s PHE 120 CO 0.63 -0.07 0.00 -0.35 -0.10 0.00 0.00 175.22 175.33 2ror n PRO 121 N 3.21 -0.06 0.03 0.24 -0.04 -1.26 0.90 135.00 138.02 2ror n PRO 121 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.12 2ror n PRO 121 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.03 1.04 0.00 0.54 3.57 -1.30 -3.36 116.94 116.40 2ror h PHE 122 Ca 0.00 -0.55 0.00 0.00 3.53 0.00 0.00 57.97 60.95 2ror h PHE 122 Cb 0.00 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2ror h PHE 122 CO 0.00 1.38 -0.11 0.87 -2.23 0.00 0.00 178.31 178.22 2ror h LYS 123 N 0.41 0.00 -1.28 1.11 1.57 -1.66 -3.50 116.57 113.22 2ror h LYS 123 Ca -0.11 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.86 2ror h LYS 123 Cb 1.63 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.69 2ror h LYS 123 CO 0.19 0.00 0.80 -1.83 -0.57 0.00 0.00 179.45 178.04 2ror s GLU 124 N -1.39 0.27 0.51 3.15 -1.05 -1.26 -5.12 118.70 113.82 2ror s GLU 124 Ca -0.03 0.04 -0.21 0.00 -0.15 0.00 0.00 54.97 54.62 2ror s GLU 124 Cb 0.00 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.76 2ror s GLU 124 CO 0.05 -0.09 1.14 -1.25 0.95 0.00 0.00 175.26 176.06 2ror s PRO 125 N -1.22 3.49 0.22 -4.83 0.04 -1.26 -4.50 135.00 126.93 2ror s PRO 125 Ca 0.05 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 2ror s PRO 125 Cb -0.01 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2ror s PRO 125 CO -0.04 -0.75 0.44 -2.00 0.04 0.00 0.00 177.00 174.69 2ror s GLU 126 N -3.09 3.58 -0.30 4.56 2.56 -1.26 -5.03 118.70 119.74 2ror s GLU 126 Ca 0.70 -0.16 0.09 0.00 0.00 0.00 0.00 54.97 55.60 2ror s GLU 126 Cb -0.25 -2.78 0.46 0.00 2.00 0.00 0.00 34.13 33.56 2ror s GLU 126 CO 0.29 0.36 1.17 0.36 -0.56 0.00 0.00 175.26 176.88 2ror n LYS 127 N -0.56 3.30 -3.65 4.30 0.00 -1.26 -5.00 118.16 115.28 2ror n LYS 127 Ca -0.03 -4.08 -0.01 0.00 -0.00 0.00 0.00 58.31 54.19 2ror n LYS 127 Cb 0.53 -2.17 -0.06 0.00 -0.00 0.00 0.00 35.03 33.33 2ror n LYS 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2ror s ARG 128 N -3.62 0.22 -0.08 -1.58 6.06 -1.26 -5.16 118.95 113.53 2ror s ARG 128 Ca 0.47 0.36 -0.01 0.00 -2.50 0.00 0.00 55.73 54.05 2ror s ARG 128 Cb 0.40 0.06 0.03 0.00 0.06 0.00 0.00 34.95 35.49 2ror s ARG 128 CO 0.01 -0.04 -0.01 -0.08 -2.50 0.00 0.00 175.30 172.68 2ror s THR 129 N 1.01 0.50 -0.36 4.11 -1.32 -1.26 -5.03 115.64 113.29 2ror s THR 129 Ca -0.06 0.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.54 2ror s THR 129 Cb -0.03 -0.63 0.44 0.00 -1.51 0.00 0.00 72.50 70.77 2ror s THR 129 CO -0.12 0.28 1.13 0.00 -2.21 0.00 0.00 174.62 173.70 2ror n ILE 130 N 5.09 2.26 -3.02 5.08 0.13 -1.26 -5.05 119.36 122.59 2ror n ILE 130 Ca -0.08 -4.38 -0.40 0.00 -1.10 0.00 0.00 62.75 56.78 2ror n ILE 130 Cb 0.50 -0.91 -0.05 0.00 -0.84 0.00 0.00 39.64 38.34 2ror n ILE 130 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2ror s SER 131 N -3.55 6.88 0.00 9.51 1.04 -1.26 -4.88 113.70 121.43 2ror s SER 131 Ca 0.46 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.96 2ror s SER 131 Cb 0.40 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2ror s SER 131 CO -0.07 -0.26 0.00 -2.11 0.98 0.00 0.00 173.24 171.78 2ror n ARG 132 N 4.68 2.64 -3.64 4.02 0.00 -1.26 -5.08 116.66 118.03 2ror n ARG 132 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 2ror n ARG 132 Cb 0.50 -0.83 -0.07 0.00 -0.00 0.00 0.00 32.46 32.06 2ror n ARG 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ror s SER 133 N -2.31 -0.79 0.00 2.89 0.15 -1.26 -5.18 113.70 107.20 2ror s SER 133 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2ror s SER 133 Cb 0.00 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2ror s SER 133 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2ror n GLY 134 N 3.61 2.00 3.55 9.45 0.00 -1.26 -5.00 105.19 117.55 2ror n GLY 134 Ca -0.18 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 2ror n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 135 N 0.88 2.60 0.04 1.61 0.04 -1.26 -4.97 135.00 133.93 2ror s PRO 135 Ca 0.00 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 2ror s PRO 135 Cb 0.00 -4.69 -0.06 0.00 0.04 0.00 0.00 34.50 29.78 2ror s PRO 135 CO 0.00 -3.02 0.57 0.45 0.04 0.00 0.00 177.00 175.04 2ror s SER 136 N 8.06 7.02 0.22 6.66 0.15 -1.26 -5.05 113.70 129.50 2ror s SER 136 Ca 0.68 1.21 -0.22 0.00 0.70 0.00 0.00 55.95 58.32 2ror s SER 136 Cb -0.10 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 61.92 2ror s SER 136 CO 0.11 0.21 0.94 -0.94 1.20 0.00 0.00 173.24 174.75 2ror s SER 137 N -0.75 -0.08 0.00 5.45 1.04 -1.26 -5.31 113.70 112.79 2ror s SER 137 Ca 0.29 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2ror s SER 137 Cb -0.19 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2ror s SER 137 CO 0.18 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.88