#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 1.92 0.53 1.61 0.01 -1.26 -5.00 113.70 111.52 2ror s SER 2 Ca 0.00 1.88 -0.10 0.00 1.31 0.00 0.00 55.95 59.04 2ror s SER 2 Cb 0.00 -2.46 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2ror s SER 2 CO 0.00 -3.67 0.91 -0.94 0.41 0.00 0.00 173.24 169.95 2ror s SER 3 N -2.57 6.35 0.00 2.44 1.04 -1.26 -4.99 113.70 114.70 2ror s SER 3 Ca 0.68 1.25 0.00 0.00 0.48 0.00 0.00 55.95 58.36 2ror s SER 3 Cb -0.24 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2ror s SER 3 CO 0.61 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2ror n GLY 4 N -2.19 3.67 3.13 7.32 0.00 -1.26 -5.08 105.19 110.78 2ror n GLY 4 Ca 0.04 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2ror n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ror s SER 5 N 0.00 4.51 -0.25 1.61 0.15 -1.26 -5.08 113.70 113.39 2ror s SER 5 Ca 0.00 -1.23 -0.29 0.00 0.70 0.00 0.00 55.95 55.13 2ror s SER 5 Cb 0.00 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 2ror s SER 5 CO 0.00 -0.19 1.57 -0.94 1.20 0.00 0.00 173.24 174.88 2ror s SER 6 N 1.20 6.39 0.00 5.45 1.04 -1.26 -4.56 113.70 121.96 2ror s SER 6 Ca -0.06 1.51 0.00 0.00 0.48 0.00 0.00 55.95 57.89 2ror s SER 6 Cb -0.19 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2ror s SER 6 CO -0.04 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.52 2ror n GLY 7 N 4.67 -3.05 2.33 7.32 0.00 -1.26 -4.99 105.19 110.22 2ror n GLY 7 Ca 0.18 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 2ror n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ror n LYS 8 N 0.24 2.96 -4.47 1.61 5.02 -1.26 -5.03 118.16 117.23 2ror n LYS 8 Ca 0.00 -3.99 -0.33 0.00 -2.02 0.00 0.00 58.31 51.97 2ror n LYS 8 Cb 0.00 -2.04 -0.16 0.00 -0.02 0.00 0.00 35.03 32.81 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ror s ALA 9 N -3.61 2.35 0.17 7.82 0.00 -1.26 -5.12 121.76 122.11 2ror s ALA 9 Ca 0.43 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2ror s ALA 9 Cb 0.39 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 2ror s ALA 9 CO -0.01 -0.13 -0.02 -1.21 0.00 0.00 0.00 175.76 174.40 2ror s GLU 10 N 0.96 1.09 0.50 0.00 0.41 -1.26 -5.17 118.70 115.23 2ror s GLU 10 Ca -0.03 -1.51 0.08 0.00 -0.41 0.00 0.00 54.97 53.09 2ror s GLU 10 Cb -0.15 -0.32 0.03 0.00 -1.78 0.00 0.00 34.13 31.92 2ror s GLU 10 CO -0.04 -0.10 0.52 0.00 -0.49 0.00 0.00 175.26 175.15 2ror s ALA 11 N -3.61 4.41 -0.80 5.21 0.00 -1.26 -5.08 121.76 120.64 2ror s ALA 11 Ca 0.22 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2ror s ALA 11 Cb 0.06 -1.11 0.22 0.00 0.00 0.00 0.00 23.12 22.28 2ror s ALA 11 CO 0.03 -0.48 0.74 -0.85 0.00 0.00 0.00 175.76 175.21 2ror n GLU 12 N -1.84 2.51 -3.32 0.00 0.28 -1.26 -5.06 120.64 111.95 2ror n GLU 12 Ca 0.06 -4.54 -0.38 0.00 -0.16 0.00 0.00 57.16 52.14 2ror n GLU 12 Cb 0.62 -2.35 -0.06 0.00 1.43 0.00 0.00 31.44 31.09 2ror n GLU 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2ror s GLN 13 N -1.78 4.19 -0.60 3.44 2.00 -1.26 -5.04 119.66 120.62 2ror s GLN 13 Ca 0.30 0.59 0.05 0.00 -2.00 0.00 0.00 55.36 54.29 2ror s GLN 13 Cb -0.00 -3.31 0.18 0.00 0.80 0.00 0.00 33.01 30.68 2ror s GLN 13 CO -0.10 0.47 0.46 0.09 -0.50 0.00 0.00 175.29 175.71 2ror n ASN 14 N 2.47 1.82 -3.52 6.67 3.02 -1.26 -4.99 115.26 119.47 2ror n ASN 14 Ca -0.10 -2.93 -0.27 0.00 -0.03 0.00 0.00 54.58 51.25 2ror n ASN 14 Cb 0.51 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 2ror n ASN 14 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2ror n TRP 15 N 2.17 1.10 0.00 3.10 7.02 -1.26 -4.85 117.44 124.72 2ror n TRP 15 Ca 0.24 -3.78 0.00 0.00 -1.02 0.00 0.00 57.50 52.94 2ror n TRP 15 Cb 0.40 -0.23 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 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 2.05 0.00 -3.00 -5.99 2.14 -1.26 -5.00 117.44 106.38 2ror n TRP 16 Ca 0.25 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.68 2ror n TRP 16 Cb 0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.91 2ror n TRP 16 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 2ror n GLU 17 N -1.96 -1.95 0.00 -2.67 0.28 -1.26 -4.65 120.64 108.42 2ror n GLU 17 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 2ror n GLU 17 Cb 0.49 -4.00 0.00 0.00 1.43 0.00 0.00 31.44 29.36 2ror n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ror n GLY 18 N -0.65 -1.70 3.61 -1.84 0.00 -1.26 -5.13 105.19 98.22 2ror n GLY 18 Ca 0.04 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.56 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 3.57 0.00 1.61 0.04 -1.26 -5.00 135.00 133.96 2ror s PRO 19 Ca 0.00 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2ror s PRO 19 Cb 0.00 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2ror s PRO 19 CO 0.00 -1.57 0.00 -0.35 0.04 0.00 0.00 177.00 175.12 2ror n PRO 20 N 8.04 0.11 -0.30 0.56 -0.04 -1.26 -4.86 135.00 137.26 2ror n PRO 20 Ca 0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2ror n PRO 20 Cb 0.46 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.96 2ror n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ror n GLN 21 N -0.66 1.29 -0.83 0.54 0.00 -1.26 -4.88 117.38 111.57 2ror n GLN 21 Ca 0.00 -0.68 -0.34 0.00 0.00 0.00 0.00 57.00 55.97 2ror n GLN 21 Cb 0.00 -1.27 0.10 0.00 0.00 0.00 0.00 30.24 29.08 2ror n GLN 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2ror n ASP 22 N 0.17 -3.13 0.25 2.61 8.00 -1.26 -4.61 116.55 118.58 2ror n ASP 22 Ca 0.14 0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.84 2ror n ASP 22 Cb 0.76 -0.91 0.46 0.00 -0.02 0.00 0.00 41.12 41.41 2ror n ASP 22 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ror h LEU 23 N -1.51 0.00 -1.02 0.64 3.38 -1.95 -0.22 115.31 114.63 2ror h LEU 23 Ca -0.46 0.00 0.27 0.00 0.09 0.00 0.00 57.88 57.78 2ror h LEU 23 Cb 1.33 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.95 2ror h LEU 23 CO 0.31 0.00 0.59 0.28 0.09 0.00 0.00 178.44 179.71 2ror h SER 24 N 0.00 0.62 -0.94 -0.43 0.02 -1.87 0.14 113.55 111.09 2ror h SER 24 Ca 0.07 0.15 0.27 0.00 -0.84 0.00 0.00 61.79 61.44 2ror h SER 24 Cb 1.45 0.06 -0.14 0.00 0.14 0.00 0.00 62.40 63.91 2ror h SER 24 CO -0.00 0.03 0.41 -0.37 -1.14 0.00 0.00 176.83 175.76 2ror h VAL 25 N 0.49 0.32 -4.02 2.27 -1.51 -1.28 -3.40 116.25 109.12 2ror h VAL 25 Ca 0.67 -0.10 -0.52 0.00 -1.23 0.00 0.00 66.70 65.52 2ror h VAL 25 Cb 1.38 0.01 0.08 0.00 -2.13 0.00 0.00 31.29 30.64 2ror h VAL 25 CO -0.50 0.05 0.51 -1.00 -1.23 0.00 0.00 177.57 175.40 2ror s HIS 26 N -5.80 2.69 -0.87 5.19 4.02 0.50 -4.86 115.29 116.16 2ror s HIS 26 Ca -0.11 1.50 0.01 0.00 1.02 0.00 0.00 55.06 57.48 2ror s HIS 26 Cb 0.28 -3.48 0.06 0.00 -1.02 0.00 0.00 32.58 28.42 2ror s HIS 26 CO 0.78 -1.89 0.99 1.28 1.02 0.00 0.00 174.74 176.93 2ror n LEU 27 N -0.72 0.03 -3.94 0.89 4.77 -1.26 -4.35 117.00 112.42 2ror n LEU 27 Ca 0.09 0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 56.31 2ror n LEU 27 Cb 0.48 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2ror n LEU 27 CO 0.48 -0.48 -0.44 -1.66 -1.33 0.00 0.00 177.39 173.96 2ror s TRP 28 N -2.95 1.14 -0.07 -1.77 1.48 -1.26 -2.43 118.94 113.09 2ror s TRP 28 Ca -0.00 -0.42 -0.11 0.00 -1.06 0.00 0.00 56.10 54.51 2ror s TRP 28 Cb 0.00 -0.92 0.02 0.00 -1.16 0.00 0.00 33.47 31.41 2ror s TRP 28 CO 0.01 -0.28 0.27 -0.47 -4.06 0.00 0.00 176.95 172.42 2ror s TYR 29 N 0.98 -0.23 -0.25 1.66 5.04 -1.26 -4.67 117.35 118.62 2ror s TYR 29 Ca -0.09 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.01 2ror s TYR 29 Cb -0.15 0.08 0.14 0.00 0.35 0.00 0.00 41.96 42.39 2ror s TYR 29 CO 0.00 -0.24 0.42 0.00 -1.34 0.00 0.00 175.55 174.40 2ror s ALA 30 N -0.49 -1.32 0.98 3.97 0.00 0.36 -4.64 121.76 120.63 2ror s ALA 30 Ca -0.06 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2ror s ALA 30 Cb -0.04 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2ror s ALA 30 CO 0.02 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.95 2ror n GLY 31 N 5.38 -1.87 0.00 0.00 0.00 -1.26 -3.30 105.19 104.14 2ror n GLY 31 Ca -0.04 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.85 1.61 -0.04 -1.26 -2.84 135.00 132.11 2ror n PRO 32 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2ror n PRO 32 Cb 0.00 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.22 2ror n PRO 32 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ror n MET 33 N -0.71 0.00 -1.69 0.54 1.56 -1.26 -4.89 117.12 110.67 2ror n MET 33 Ca 0.05 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.19 2ror n MET 33 Cb 0.02 -0.77 0.12 0.00 2.15 0.00 0.00 33.22 34.74 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 -0.19 1.40 0.02 2.12 -1.05 -1.26 -4.75 118.70 114.99 2ror s GLU 34 Ca 0.47 0.18 -0.04 0.00 -0.15 0.00 0.00 54.97 55.44 2ror s GLU 34 Cb -0.67 -1.88 -0.01 0.00 -0.44 0.00 0.00 34.13 31.13 2ror s GLU 34 CO 0.33 -2.00 1.07 -0.09 0.95 0.00 0.00 175.26 175.52 2ror h ARG 35 N -1.35 -0.04 -0.90 -4.83 1.12 -2.00 0.40 114.38 106.78 2ror h ARG 35 Ca -0.48 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 58.59 2ror h ARG 35 Cb 1.33 0.01 -0.12 0.00 -0.01 0.00 0.00 29.97 31.18 2ror h ARG 35 CO 0.62 -0.03 0.45 0.00 -3.11 0.00 0.00 179.97 177.90 2ror h ALA 36 N -1.09 1.46 -0.63 2.80 0.00 -1.99 0.23 119.26 120.05 2ror h ALA 36 Ca 0.01 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2ror h ALA 36 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2ror h ALA 36 CO -0.08 -0.25 0.41 0.78 0.00 0.00 0.00 179.25 180.12 2ror h GLY 37 N 0.51 0.76 0.00 0.00 0.00 -1.47 -1.92 103.07 100.95 2ror h GLY 37 Ca 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2ror h GLY 37 CO -0.47 0.18 -0.13 0.00 0.00 0.00 0.00 176.54 176.12 2ror h ALA 38 N 1.66 0.01 -0.90 3.60 0.00 0.14 -3.35 119.26 120.43 2ror h ALA 38 Ca 0.27 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.15 2ror h ALA 38 Cb 0.30 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 2ror h ALA 38 CO -0.08 0.10 -0.06 0.93 0.00 0.00 0.00 179.25 180.14 2ror h GLU 39 N -1.00 0.03 -0.71 0.00 5.08 -0.96 0.38 114.58 117.40 2ror h GLU 39 Ca -0.02 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 2ror h GLU 39 Cb 0.37 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.50 2ror h GLU 39 CO -0.01 0.02 0.06 1.03 -1.00 0.00 0.00 179.01 179.11 2ror h SER 40 N 0.03 -0.20 0.00 1.42 0.87 -1.50 0.21 113.55 114.38 2ror h SER 40 Ca 0.50 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 2ror h SER 40 Cb 0.91 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2ror h SER 40 CO -0.86 -0.12 0.00 -0.38 -0.53 0.00 0.00 176.83 174.94 2ror n ILE 41 N -5.26 0.00 0.21 2.23 5.41 0.13 -0.86 119.36 121.22 2ror n ILE 41 Ca 0.13 1.45 0.10 0.00 1.00 0.00 0.00 62.75 65.42 2ror n ILE 41 Cb 0.44 -2.32 0.53 0.00 -0.71 0.00 0.00 39.64 37.58 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 0.09 1.39 -0.00 -1.37 -0.18 115.31 115.24 2ror h LEU 42 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 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 -0.05 0.00 -0.00 0.00 0.00 178.44 178.39 2ror h ALA 43 N 1.39 -0.20 -0.42 1.53 0.00 0.37 -3.36 119.26 118.58 2ror h ALA 43 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2ror h ALA 43 Cb 0.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2ror h ALA 43 CO 0.00 -0.19 0.16 -0.91 0.00 0.00 0.00 179.25 178.31 2ror h ASN 44 N -0.59 0.54 -3.39 0.00 4.21 -0.48 -3.44 115.58 112.42 2ror h ASN 44 Ca -0.01 -0.06 -0.41 0.00 1.21 0.00 0.00 56.30 57.03 2ror h ASN 44 Cb 0.10 -0.14 0.20 0.00 -1.12 0.00 0.00 38.32 37.36 2ror h ASN 44 CO 0.02 0.50 0.06 -0.13 -1.29 0.00 0.00 177.43 176.59 2ror s ARG 45 N -5.27 -1.51 -0.04 0.81 3.00 -0.13 -4.91 118.95 110.90 2ror s ARG 45 Ca -0.08 0.11 -0.30 0.00 0.00 0.00 0.00 55.73 55.46 2ror s ARG 45 Cb 0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 34.95 33.51 2ror s ARG 45 CO 0.76 -3.94 1.56 -1.12 0.00 0.00 0.00 175.30 172.56 2ror s SER 46 N -3.55 6.73 -0.15 0.23 0.01 -1.26 -4.87 113.70 110.84 2ror s SER 46 Ca 0.70 2.18 -0.35 0.00 1.31 0.00 0.00 55.95 59.79 2ror s SER 46 Cb -0.13 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.40 2ror s SER 46 CO 0.57 -0.86 1.04 -0.90 0.41 0.00 0.00 173.24 173.50 2ror n ASP 47 N 6.51 0.36 0.00 2.44 5.75 -1.26 -2.17 116.55 128.18 2ror n ASP 47 Ca 0.16 0.96 0.00 0.00 -0.01 0.00 0.00 54.79 55.90 2ror n ASP 47 Cb 0.43 -0.74 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2ror n ASP 47 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ror n GLY 48 N 1.98 0.83 3.72 6.12 0.00 -0.61 -4.97 105.19 112.26 2ror n GLY 48 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2ror n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ror s THR 49 N -2.00 2.85 0.23 2.61 2.01 -0.92 -2.76 115.64 117.65 2ror s THR 49 Ca 0.00 0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.10 2ror s THR 49 Cb 0.00 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.86 2ror s THR 49 CO 0.00 -0.36 0.57 0.72 -0.69 0.00 0.00 174.62 174.86 2ror s PHE 50 N -2.86 -0.05 0.31 4.92 -0.71 0.18 -1.86 117.98 117.91 2ror s PHE 50 Ca 0.63 -0.33 -0.19 0.00 -1.04 0.00 0.00 56.93 56.00 2ror s PHE 50 Cb -0.19 0.45 0.06 0.00 -1.21 0.00 0.00 43.02 42.13 2ror s PHE 50 CO 0.57 -1.03 0.85 -0.48 -1.34 0.00 0.00 175.22 173.80 2ror s LEU 51 N -2.91 -0.04 -0.24 -1.99 0.05 -0.92 -1.10 118.68 111.53 2ror s LEU 51 Ca 0.12 -0.91 0.01 0.00 0.05 0.00 0.00 54.13 53.41 2ror s LEU 51 Cb -0.02 2.60 0.04 0.00 -2.05 0.00 0.00 46.19 46.76 2ror s LEU 51 CO 0.02 -1.42 -0.12 -0.69 -0.55 0.00 0.00 176.35 173.59 2ror s VAL 52 N -2.56 2.35 0.31 1.48 1.01 -1.26 -2.89 120.40 118.84 2ror s VAL 52 Ca 0.16 -1.27 0.07 0.00 0.00 0.00 0.00 61.98 60.94 2ror s VAL 52 Cb -0.04 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2ror s VAL 52 CO 0.09 0.19 0.35 -0.13 0.00 0.00 0.00 175.10 175.60 2ror s ARG 53 N 1.22 3.00 0.11 2.72 0.52 0.42 -0.48 118.95 126.44 2ror s ARG 53 Ca -0.02 -1.08 0.04 0.00 -0.52 0.00 0.00 55.73 54.15 2ror s ARG 53 Cb -0.17 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 2ror s ARG 53 CO -0.07 0.17 -0.11 -1.14 0.02 0.00 0.00 175.30 174.17 2ror s GLN 54 N -4.04 0.90 0.54 3.54 0.74 -1.13 0.74 119.66 120.95 2ror s GLN 54 Ca 0.40 -1.19 0.02 0.00 0.05 0.00 0.00 55.36 54.65 2ror s GLN 54 Cb -0.08 -0.64 0.03 0.00 1.10 0.00 0.00 33.01 33.42 2ror s GLN 54 CO 0.28 0.11 0.75 1.03 -0.55 0.00 0.00 175.29 176.91 2ror s ARG 55 N -2.79 2.55 -0.00 1.67 1.81 -1.11 -4.30 118.95 116.78 2ror s ARG 55 Ca 0.07 -0.86 0.09 0.00 -1.72 0.00 0.00 55.73 53.31 2ror s ARG 55 Cb -0.03 -2.52 -0.11 0.00 -0.45 0.00 0.00 34.95 31.84 2ror s ARG 55 CO 0.01 -0.68 0.34 1.33 -0.68 0.00 0.00 175.30 175.62 2ror n VAL 56 N -2.29 0.00 0.07 3.52 0.24 -1.26 -4.57 118.33 114.04 2ror n VAL 56 Ca 0.08 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.34 61.90 2ror n VAL 56 Cb 0.60 0.81 -0.12 0.00 -1.47 0.00 0.00 33.84 33.66 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 0.65 -2.75 7.34 1.79 -1.99 -3.43 116.57 118.18 2ror h LYS 57 Ca 0.00 -0.79 -0.41 0.00 -2.18 0.00 0.00 60.65 57.26 2ror h LYS 57 Cb 0.27 0.25 -0.38 0.00 -1.58 0.00 0.00 32.23 30.79 2ror h LYS 57 CO 0.00 1.35 -0.70 -0.51 -1.08 0.00 0.00 179.45 178.51 2ror s ASP 58 N -7.37 2.14 0.31 0.86 1.01 -1.26 -5.02 116.67 107.34 2ror s ASP 58 Ca -0.09 -0.60 0.03 0.00 0.71 0.00 0.00 52.55 52.60 2ror s ASP 58 Cb 0.06 0.02 0.78 0.00 1.01 0.00 0.00 42.92 44.80 2ror s ASP 58 CO 0.93 -0.36 1.53 0.00 0.21 0.00 0.00 175.17 177.47 2ror n ALA 59 N 5.29 0.53 -1.37 5.23 0.00 -1.26 -2.42 120.51 126.51 2ror n ALA 59 Ca -0.06 1.04 -0.42 0.00 0.00 0.00 0.00 53.44 54.00 2ror n ALA 59 Cb 0.48 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.12 4.27 -3.61 0.00 0.00 -1.26 -4.74 120.51 112.05 2ror n ALA 60 Ca 0.24 -3.52 -0.02 0.00 0.00 0.00 0.00 53.44 50.14 2ror n ALA 60 Cb 0.78 -3.59 -0.06 0.00 0.00 0.00 0.00 19.45 16.59 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 4.23 0.39 0.35 0.00 2.56 -1.01 -4.34 118.70 120.88 2ror s GLU 61 Ca 0.53 0.73 0.03 0.00 0.00 0.00 0.00 54.97 56.26 2ror s GLU 61 Cb 0.14 0.16 -0.04 0.00 2.00 0.00 0.00 34.13 36.39 2ror s GLU 61 CO 0.03 -0.09 0.12 -0.06 -0.56 0.00 0.00 175.26 174.70 2ror s PHE 62 N 1.58 1.76 0.17 5.30 0.08 -1.24 -2.77 117.98 122.85 2ror s PHE 62 Ca -0.08 -1.24 -0.12 0.00 0.12 0.00 0.00 56.93 55.61 2ror s PHE 62 Cb -0.04 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.33 2ror s PHE 62 CO -0.16 -0.30 0.36 0.00 -0.10 0.00 0.00 175.22 175.02 2ror s ALA 63 N -3.37 -0.35 -0.23 5.36 0.00 0.23 0.46 121.76 123.86 2ror s ALA 63 Ca 0.31 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2ror s ALA 63 Cb 0.05 0.82 0.07 0.00 0.00 0.00 0.00 23.12 24.06 2ror s ALA 63 CO 0.16 -0.69 0.04 0.42 0.00 0.00 0.00 175.76 175.69 2ror s ILE 64 N -3.92 0.72 -0.21 0.00 1.01 0.13 -0.44 121.20 118.49 2ror s ILE 64 Ca 0.13 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 2ror s ILE 64 Cb 0.02 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 2ror s ILE 64 CO -0.02 -0.32 0.08 -0.55 0.00 0.00 0.00 174.94 174.13 2ror s SER 65 N 1.75 5.56 0.01 3.58 0.15 -1.14 -1.31 113.70 122.29 2ror s SER 65 Ca 0.01 0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2ror s SER 65 Cb -0.17 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 2ror s SER 65 CO -0.12 0.10 -0.06 -0.51 1.20 0.00 0.00 173.24 173.84 2ror s ILE 66 N 0.81 0.47 -0.05 6.45 -1.16 -0.17 -2.16 121.20 125.40 2ror s ILE 66 Ca 0.04 -0.49 -0.21 0.00 -0.51 0.00 0.00 60.65 59.48 2ror s ILE 66 Cb -0.13 -0.44 -0.04 0.00 0.61 0.00 0.00 42.46 42.45 2ror s ILE 66 CO 0.02 -0.03 0.62 -0.75 -2.81 0.00 0.00 174.94 172.00 2ror s LYS 67 N -0.56 4.38 -0.29 3.50 2.47 -0.78 -0.41 119.74 128.05 2ror s LYS 67 Ca -0.01 0.75 -0.23 0.00 -1.56 0.00 0.00 55.97 54.91 2ror s LYS 67 Cb -0.04 -3.40 0.15 0.00 -1.46 0.00 0.00 37.83 33.08 2ror s LYS 67 CO -0.00 0.21 1.18 -0.47 0.16 0.00 0.00 175.35 176.42 2ror s TYR 68 N 0.36 -0.32 -0.81 4.03 5.04 0.22 -1.58 117.35 124.29 2ror s TYR 68 Ca 0.33 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 2ror s TYR 68 Cb -0.18 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.50 2ror s TYR 68 CO 0.16 -0.15 0.68 -1.71 -1.34 0.00 0.00 175.55 173.19 2ror n ASN 69 N 2.24 -2.73 -1.85 4.32 4.05 -1.26 -2.55 115.26 117.49 2ror n ASN 69 Ca -0.13 -0.44 -0.07 0.00 0.45 0.00 0.00 54.58 54.39 2ror n ASN 69 Cb 0.56 -3.72 -0.02 0.00 1.23 0.00 0.00 39.78 37.84 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 -3.07 -0.17 -3.68 3.44 0.24 -1.26 -4.86 118.33 108.97 2ror n VAL 70 Ca -0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 2ror n VAL 70 Cb 0.61 -0.83 -0.08 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 -3.83 0.68 -0.22 7.34 0.41 -1.06 -5.15 118.70 116.88 2ror s GLU 71 Ca 0.00 0.48 -0.15 0.00 -0.41 0.00 0.00 54.97 54.89 2ror s GLU 71 Cb 0.00 0.33 -0.04 0.00 -1.78 0.00 0.00 34.13 32.64 2ror s GLU 71 CO 0.00 -0.13 0.36 0.08 -0.49 0.00 0.00 175.26 175.08 2ror s VAL 72 N -0.24 5.21 0.21 2.63 1.01 -1.26 -0.61 120.40 127.35 2ror s VAL 72 Ca -0.04 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.59 2ror s VAL 72 Cb -0.03 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2ror s VAL 72 CO 0.03 0.24 0.34 -0.54 0.00 0.00 0.00 175.10 175.17 2ror s LYS 73 N 1.44 3.44 0.01 2.72 -0.14 0.45 -4.92 119.74 122.74 2ror s LYS 73 Ca 0.17 -0.68 0.01 0.00 -1.36 0.00 0.00 55.97 54.11 2ror s LYS 73 Cb -0.15 -2.91 -0.01 0.00 -1.68 0.00 0.00 37.83 33.08 2ror s LYS 73 CO 0.08 0.46 -0.04 -1.01 -0.76 0.00 0.00 175.35 174.08 2ror s HIS 74 N -1.90 0.34 -0.10 3.18 3.76 -1.26 -1.00 115.29 118.31 2ror s HIS 74 Ca 0.34 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 2ror s HIS 74 Cb -0.10 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.39 2ror s HIS 74 CO 0.29 -0.04 -0.13 0.42 -0.85 0.00 0.00 174.74 174.43 2ror s ILE 75 N -0.41 1.32 0.22 0.60 1.01 -0.43 -4.94 121.20 118.57 2ror s ILE 75 Ca -0.02 -0.54 -0.27 0.00 0.00 0.00 0.00 60.65 59.82 2ror s ILE 75 Cb -0.03 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 41.13 2ror s ILE 75 CO -0.00 0.40 0.86 -0.75 0.00 0.00 0.00 174.94 175.46 2ror s LYS 76 N 1.03 4.66 0.04 2.79 2.20 -1.26 -0.69 119.74 128.51 2ror s LYS 76 Ca -0.07 1.29 0.06 0.00 -0.36 0.00 0.00 55.97 56.90 2ror s LYS 76 Cb -0.15 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2ror s LYS 76 CO -0.01 0.49 -0.14 0.42 -0.36 0.00 0.00 175.35 175.75 2ror s ILE 77 N -1.27 3.10 0.19 5.43 1.01 0.17 -4.80 121.20 125.04 2ror s ILE 77 Ca 0.41 -1.11 0.11 0.00 0.00 0.00 0.00 60.65 60.06 2ror s ILE 77 Cb -0.23 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2ror s ILE 77 CO 0.28 0.31 -0.23 -0.04 0.00 0.00 0.00 174.94 175.25 2ror s MET 78 N -1.59 1.55 -0.12 2.79 -1.94 -1.23 -3.71 119.30 115.06 2ror s MET 78 Ca 0.16 -1.51 -0.04 0.00 -1.71 0.00 0.00 55.69 52.60 2ror s MET 78 Cb -0.11 -1.87 0.06 0.00 2.01 0.00 0.00 34.83 34.92 2ror s MET 78 CO 0.07 0.40 0.23 0.95 -0.01 0.00 0.00 175.02 176.67 2ror s THR 79 N -1.66 -0.37 0.00 2.05 -4.23 -1.26 -3.27 115.64 106.90 2ror s THR 79 Ca 0.21 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2ror s THR 79 Cb -0.08 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.35 2ror s THR 79 CO 0.10 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.30 2ror n ALA 80 N 5.34 0.00 -2.36 3.99 0.00 -1.24 -4.80 120.51 121.44 2ror n ALA 80 Ca -0.06 -0.14 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2ror n ALA 80 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.05 3.30 -1.15 0.00 -0.58 -1.26 -4.81 120.64 114.09 2ror n GLU 81 Ca 0.00 -4.26 -0.02 0.00 -0.42 0.00 0.00 57.16 52.46 2ror n GLU 81 Cb 0.00 -2.26 -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 -0.46 0.52 3.33 0.62 0.00 -1.26 -5.03 105.19 102.91 2ror n GLY 82 Ca 0.43 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.51 2.50 -0.20 0.99 1.43 -1.26 -4.69 118.68 116.94 2ror s LEU 83 Ca 0.00 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2ror s LEU 83 Cb 0.00 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 2ror s LEU 83 CO 0.00 0.19 0.11 -0.31 0.23 0.00 0.00 176.35 176.57 2ror s TYR 84 N 0.17 3.34 -0.27 0.29 1.51 -1.20 -3.70 117.35 117.48 2ror s TYR 84 Ca -0.10 0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 55.93 2ror s TYR 84 Cb -0.16 -2.14 0.08 0.00 -0.11 0.00 0.00 41.96 39.64 2ror s TYR 84 CO 0.06 0.21 0.80 -0.98 -1.11 0.00 0.00 175.55 174.53 2ror s ARG 85 N 0.44 0.74 0.08 -0.62 1.70 -1.20 -1.39 118.95 118.70 2ror s ARG 85 Ca 0.06 0.90 0.22 0.00 -0.47 0.00 0.00 55.73 56.45 2ror s ARG 85 Cb -0.12 0.35 -0.18 0.00 -0.57 0.00 0.00 34.95 34.43 2ror s ARG 85 CO -0.01 -0.09 0.74 0.44 -1.08 0.00 0.00 175.30 175.30 2ror n ILE 86 N 2.65 0.29 -4.00 4.99 -5.35 -1.26 -3.51 119.36 113.16 2ror n ILE 86 Ca -0.14 -0.52 -0.08 0.00 -0.27 0.00 0.00 62.75 61.74 2ror n ILE 86 Cb 0.55 -0.15 -0.09 0.00 -1.74 0.00 0.00 39.64 38.21 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 -3.45 0.18 0.27 7.28 -4.23 -1.26 -5.00 115.64 109.43 2ror s THR 87 Ca -0.05 -1.45 0.27 0.00 -1.18 0.00 0.00 61.69 59.28 2ror s THR 87 Cb 0.12 -1.22 0.28 0.00 1.34 0.00 0.00 72.50 73.01 2ror s THR 87 CO 0.85 -0.80 1.96 1.05 -0.54 0.00 0.00 174.62 177.14 2ror h GLU 88 N 3.35 0.00 0.29 3.99 9.09 -2.04 -3.19 114.58 126.08 2ror h GLU 88 Ca -0.33 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.06 2ror h GLU 88 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2ror h GLU 88 CO 0.58 0.16 -0.14 0.87 0.05 0.00 0.00 179.01 180.53 2ror h LYS 89 N 0.00 -0.38 -5.92 1.06 1.57 -2.02 -3.44 116.57 107.44 2ror h LYS 89 Ca -0.00 0.03 -0.62 0.00 -1.87 0.00 0.00 60.65 58.18 2ror h LYS 89 Cb 0.54 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2ror h LYS 89 CO 0.02 -0.07 -0.26 0.21 -0.57 0.00 0.00 179.45 178.78 2ror s LYS 90 N -3.58 3.82 -0.00 3.15 2.47 -1.20 -5.09 119.74 119.30 2ror s LYS 90 Ca -0.11 0.29 -0.02 0.00 -1.56 0.00 0.00 55.97 54.57 2ror s LYS 90 Cb 0.01 -3.22 -0.00 0.00 -1.46 0.00 0.00 37.83 33.16 2ror s LYS 90 CO 0.39 0.70 0.04 0.00 0.16 0.00 0.00 175.35 176.64 2ror s ALA 91 N -1.03 -0.08 0.33 3.13 0.00 -1.26 -4.08 121.76 118.76 2ror s ALA 91 Ca 0.22 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2ror s ALA 91 Cb -0.16 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2ror s ALA 91 CO 0.11 -0.09 -0.01 -0.06 0.00 0.00 0.00 175.76 175.71 2ror s PHE 92 N -0.60 2.11 -0.17 0.00 0.40 -0.48 -5.03 117.98 114.20 2ror s PHE 92 Ca -0.07 -0.76 -0.04 0.00 -0.60 0.00 0.00 56.93 55.46 2ror s PHE 92 Cb -0.04 -1.33 -0.23 0.00 0.51 0.00 0.00 43.02 41.93 2ror s PHE 92 CO -0.00 0.25 0.15 -2.13 0.70 0.00 0.00 175.22 174.19 2ror n ARG 93 N -0.72 0.71 -3.97 0.44 3.00 -1.26 -3.25 116.66 111.61 2ror n ARG 93 Ca -0.04 0.23 -0.12 0.00 -0.00 0.00 0.00 57.85 57.92 2ror n ARG 93 Cb 0.65 -1.64 -0.13 0.00 0.00 0.00 0.00 32.46 31.34 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 -5.87 0.17 0.28 5.14 0.00 -1.26 -4.35 107.32 101.43 2ror s GLY 94 Ca -0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 2ror s GLY 94 CO 0.70 -0.31 1.59 -2.00 0.00 0.00 0.00 173.10 173.08 2ror h LEU 95 N 5.50 -0.51 -0.06 0.66 5.85 -1.92 -1.72 115.31 123.12 2ror h LEU 95 Ca -0.28 0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2ror h LEU 95 Cb 1.21 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2ror h LEU 95 CO 0.47 -0.29 -0.06 0.74 -0.34 0.00 0.00 178.44 178.95 2ror h THR 96 N 0.04 0.00 -0.50 1.05 2.02 -2.00 -1.92 112.91 111.61 2ror h THR 96 Ca 0.52 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.79 2ror h THR 96 Cb 0.99 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.30 2ror h THR 96 CO -0.86 0.00 -0.36 -0.33 0.37 0.00 0.00 175.52 174.34 2ror h GLU 97 N -0.03 -0.22 -1.58 6.66 4.39 -1.72 0.39 114.58 122.47 2ror h GLU 97 Ca 0.01 0.01 0.49 0.00 0.34 0.00 0.00 59.36 60.22 2ror h GLU 97 Cb 0.06 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.65 2ror h GLU 97 CO -0.08 -0.15 1.08 1.25 -1.16 0.00 0.00 179.01 179.96 2ror h LEU 98 N -0.23 0.12 0.03 1.33 6.46 -0.92 0.99 115.31 123.09 2ror h LEU 98 Ca 0.19 0.08 -0.27 0.00 -0.12 0.00 0.00 57.88 57.76 2ror h LEU 98 Cb 0.55 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 2ror h LEU 98 CO -0.62 -0.12 -1.50 0.52 -0.62 0.00 0.00 178.44 176.10 2ror n VAL 99 N -4.38 1.59 0.48 1.05 0.31 0.10 -3.31 118.33 114.18 2ror n VAL 99 Ca 0.40 -0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.60 2ror n VAL 99 Cb 1.68 -1.96 0.25 0.00 -0.91 0.00 0.00 33.84 32.90 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 -4.22 0.14 -0.11 5.55 -0.58 0.68 -2.55 120.64 119.55 2ror n GLU 100 Ca -0.34 0.19 -0.24 0.00 -0.42 0.00 0.00 57.16 56.36 2ror n GLU 100 Cb 0.77 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.29 0.30 -0.15 -0.32 7.35 0.31 -4.37 117.46 119.30 2ror n PHE 101 Ca 0.05 0.10 0.12 0.00 -0.76 0.00 0.00 57.45 56.95 2ror n PHE 101 Cb 0.08 -1.03 0.46 0.00 0.35 0.00 0.00 39.48 39.34 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 -0.53 0.56 0.00 -5.13 0.05 -1.48 0.18 116.97 110.61 2ror h TYR 102 Ca -0.58 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.22 2ror h TYR 102 Cb 1.72 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 39.28 2ror h TYR 102 CO -0.00 0.25 0.40 1.96 -1.05 0.00 0.00 178.16 179.71 2ror h GLN 103 N 0.51 0.00 0.00 4.88 4.20 -1.74 0.32 115.11 123.28 2ror h GLN 103 Ca 0.33 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.99 2ror h GLN 103 Cb 0.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2ror h GLN 103 CO -0.11 0.00 -1.52 1.04 -0.67 0.00 0.00 178.83 177.57 2ror n GLN 104 N -2.44 1.03 -3.82 1.46 6.02 0.02 -4.83 117.38 114.82 2ror n GLN 104 Ca -0.01 -0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 2ror n GLN 104 Cb 0.42 -1.24 -0.13 0.00 1.02 0.00 0.00 30.24 30.31 2ror n GLN 104 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2ror s ASN 105 N -3.49 5.00 0.09 1.08 0.01 0.11 -5.07 114.94 112.68 2ror s ASN 105 Ca -0.04 -1.02 -0.35 0.00 -0.71 0.00 0.00 52.86 50.75 2ror s ASN 105 Cb 0.05 -1.80 -0.14 0.00 0.41 0.00 0.00 41.25 39.77 2ror s ASN 105 CO 0.41 -0.24 1.59 -0.24 -1.51 0.00 0.00 177.10 177.10 2ror n SER 106 N 4.76 2.85 0.04 -1.22 2.88 -1.26 -4.61 113.62 117.07 2ror n SER 106 Ca -0.14 1.07 0.03 0.00 -1.33 0.00 0.00 58.87 58.51 2ror n SER 106 Cb 0.46 -1.36 0.17 0.00 -0.75 0.00 0.00 64.21 62.72 2ror n SER 106 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ror n LEU 107 N 3.85 0.15 0.25 2.46 4.77 -1.23 -1.64 117.00 125.61 2ror n LEU 107 Ca 0.19 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 2ror n LEU 107 Cb 0.26 -0.58 0.61 0.00 -2.33 0.00 0.00 43.42 41.38 2ror n LEU 107 CO 0.65 -0.60 0.97 0.07 -1.33 0.00 0.00 177.39 177.15 2ror h LYS 108 N 0.00 0.00 -0.90 3.23 2.10 -0.92 0.27 116.57 120.35 2ror h LYS 108 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 2ror h LYS 108 Cb 0.02 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.30 2ror h LYS 108 CO 0.00 0.12 0.58 -0.44 -2.00 0.00 0.00 179.45 177.71 2ror h ASP 109 N 0.00 0.96 0.00 7.07 3.32 -1.59 -3.30 116.42 122.88 2ror h ASP 109 Ca -0.00 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 2ror h ASP 109 Cb 0.23 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2ror h ASP 109 CO 0.02 0.65 -1.13 0.00 -1.72 0.00 0.00 179.24 177.06 2ror s PHE 111 N -2.53 3.14 0.62 0.00 0.08 0.91 -4.90 117.98 115.29 2ror s PHE 111 Ca -0.26 -1.00 0.32 0.00 0.12 0.00 0.00 56.93 56.12 2ror s PHE 111 Cb 0.05 -3.71 1.74 0.00 -0.57 0.00 0.00 43.02 40.54 2ror s PHE 111 CO 0.39 -1.07 1.97 1.57 -0.10 0.00 0.00 175.22 177.99 2ror h LYS 112 N 8.98 0.00 0.10 0.44 -0.00 -1.80 -1.68 116.57 122.61 2ror h LYS 112 Ca -0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.35 2ror h LYS 112 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 2ror h LYS 112 CO 1.02 0.00 -0.05 1.03 -0.00 0.00 0.00 179.45 181.45 2ror h SER 113 N 0.00 -0.12 -2.29 7.07 0.87 -1.90 -3.41 113.55 113.77 2ror h SER 113 Ca 0.00 -0.46 -0.54 0.00 -1.23 0.00 0.00 61.79 59.57 2ror h SER 113 Cb 0.52 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 2ror h SER 113 CO 0.00 0.51 1.10 -0.76 -0.53 0.00 0.00 176.83 177.15 2ror s LEU 114 N -8.82 3.18 -0.36 2.23 1.43 -0.63 -4.86 118.68 110.85 2ror s LEU 114 Ca -0.13 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2ror s LEU 114 Cb -0.00 -2.56 0.35 0.00 0.03 0.00 0.00 46.19 44.01 2ror s LEU 114 CO 0.49 -1.90 1.82 0.47 0.23 0.00 0.00 176.35 177.46 2ror n ASP 115 N 9.78 5.31 -3.56 2.29 8.00 -1.26 -0.52 116.55 136.59 2ror n ASP 115 Ca 0.06 -3.17 -0.16 0.00 0.71 0.00 0.00 54.79 52.23 2ror n ASP 115 Cb 0.49 -0.89 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 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 -2.63 0.02 0.32 -3.53 -1.32 -1.26 -4.85 115.64 102.38 2ror s THR 116 Ca 0.39 -0.13 0.07 0.00 -1.21 0.00 0.00 61.69 60.82 2ror s THR 116 Cb 0.32 -0.94 -0.03 0.00 -1.51 0.00 0.00 72.50 70.34 2ror s THR 116 CO 0.03 -0.07 0.28 0.28 -2.21 0.00 0.00 174.62 172.93 2ror s THR 117 N -1.72 3.72 -0.43 5.08 -1.32 -1.26 -3.51 115.64 116.21 2ror s THR 117 Ca -0.09 -1.37 -0.39 0.00 -1.21 0.00 0.00 61.69 58.63 2ror s THR 117 Cb -0.01 -3.23 -0.15 0.00 -1.51 0.00 0.00 72.50 67.60 2ror s THR 117 CO 0.05 -0.21 2.18 0.18 -2.21 0.00 0.00 174.62 174.61 2ror n LEU 118 N -1.34 1.51 -0.10 9.08 4.77 -1.26 -4.82 117.00 124.84 2ror n LEU 118 Ca -0.03 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.28 2ror n LEU 118 Cb 0.59 -1.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 2ror n LEU 118 CO 0.43 -0.76 -0.39 1.56 -1.33 0.00 0.00 177.39 176.90 2ror h GLN 119 N 11.02 0.00 -3.40 3.23 4.20 -1.85 -3.41 115.11 124.89 2ror h GLN 119 Ca -0.19 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.30 2ror h GLN 119 Cb 1.36 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.86 2ror h GLN 119 CO 1.06 0.86 -0.59 -0.06 -0.67 0.00 0.00 178.83 179.42 2ror s PHE 120 N -2.32 -0.13 0.05 2.96 0.08 -1.13 -4.84 117.98 112.65 2ror s PHE 120 Ca -0.26 0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 2ror s PHE 120 Cb 0.04 -0.00 0.01 0.00 -0.57 0.00 0.00 43.02 42.50 2ror s PHE 120 CO 0.54 -0.09 0.04 -0.35 -0.10 0.00 0.00 175.22 175.27 2ror n PRO 121 N 3.39 -1.11 -0.07 0.24 -0.04 -1.26 0.47 135.00 136.62 2ror n PRO 121 Ca -0.17 -0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 2ror n PRO 121 Cb 0.57 -0.07 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.56 1.01 0.00 0.54 3.57 -1.27 -3.37 116.94 115.86 2ror h PHE 122 Ca -0.02 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.15 2ror h PHE 122 Cb 0.05 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2ror h PHE 122 CO 0.00 1.14 -0.14 0.87 -2.23 0.00 0.00 178.31 177.95 2ror h LYS 123 N 0.65 0.00 -1.28 1.11 1.57 -1.80 -3.50 116.57 113.33 2ror h LYS 123 Ca 0.03 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.01 2ror h LYS 123 Cb 1.06 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.12 2ror h LYS 123 CO 0.11 0.00 0.81 -1.83 -0.57 0.00 0.00 179.45 177.96 2ror s GLU 124 N -1.41 0.26 0.70 3.15 -1.05 -1.26 -5.13 118.70 113.97 2ror s GLU 124 Ca -0.04 0.04 -0.12 0.00 -0.15 0.00 0.00 54.97 54.70 2ror s GLU 124 Cb 0.01 0.12 0.17 0.00 -0.44 0.00 0.00 34.13 33.99 2ror s GLU 124 CO 0.06 -0.09 0.62 -0.35 0.95 0.00 0.00 175.26 176.45 2ror n PRO 125 N 0.50 -2.22 -3.73 -4.83 -0.04 -1.26 -4.49 135.00 118.92 2ror n PRO 125 Ca -0.03 -0.99 -0.12 0.00 -0.04 0.00 0.00 63.50 62.32 2ror n PRO 125 Cb 0.58 -0.93 -0.07 0.00 -0.04 0.00 0.00 33.50 33.05 2ror n PRO 125 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ror s GLU 126 N -4.40 0.83 -0.10 0.54 2.12 -1.26 -5.01 118.70 111.41 2ror s GLU 126 Ca 0.40 -0.45 -0.11 0.00 0.36 0.00 0.00 54.97 55.17 2ror s GLU 126 Cb -0.04 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 2ror s GLU 126 CO 0.31 -0.27 -0.20 1.63 -0.54 0.00 0.00 175.26 176.18 2ror n LYS 127 N 0.60 0.31 -1.70 4.30 4.76 -1.26 -4.95 118.16 120.22 2ror n LYS 127 Ca -0.19 0.12 -0.58 0.00 -2.87 0.00 0.00 58.31 54.80 2ror n LYS 127 Cb 0.59 -1.03 -0.07 0.00 -1.84 0.00 0.00 35.03 32.68 2ror n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2ror n ARG 128 N -3.71 1.12 -3.22 1.97 0.63 -1.26 -4.90 116.66 107.29 2ror n ARG 128 Ca -0.08 0.41 -0.41 0.00 -0.92 0.00 0.00 57.85 56.85 2ror n ARG 128 Cb 0.30 -2.10 -0.08 0.00 0.45 0.00 0.00 32.46 31.04 2ror n ARG 128 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2ror s THR 129 N 3.73 5.02 -0.26 5.15 -4.23 -1.26 -5.03 115.64 118.76 2ror s THR 129 Ca 0.99 0.59 -0.17 0.00 -1.18 0.00 0.00 61.69 61.92 2ror s THR 129 Cb -1.08 -3.92 0.07 0.00 1.34 0.00 0.00 72.50 68.91 2ror s THR 129 CO 0.66 -0.11 0.66 -0.51 -0.54 0.00 0.00 174.62 174.78 2ror s ILE 130 N 2.41 -0.00 -0.22 2.99 1.10 -1.26 -5.14 121.20 121.07 2ror s ILE 130 Ca 0.20 0.01 -0.02 0.00 -0.51 0.00 0.00 60.65 60.34 2ror s ILE 130 Cb -0.15 -0.94 0.07 0.00 0.15 0.00 0.00 42.46 41.58 2ror s ILE 130 CO 0.12 0.00 0.03 -0.44 -2.11 0.00 0.00 174.94 172.54 2ror s SER 131 N 1.28 3.30 0.06 4.50 0.01 -1.26 -5.11 113.70 116.47 2ror s SER 131 Ca -0.07 -1.03 -0.27 0.00 1.31 0.00 0.00 55.95 55.89 2ror s SER 131 Cb -0.05 -0.77 0.09 0.00 0.21 0.00 0.00 66.02 65.50 2ror s SER 131 CO -0.14 -0.31 0.88 -0.60 0.41 0.00 0.00 173.24 173.49 2ror s ARG 132 N 1.72 0.99 -0.53 12.44 3.52 -1.26 -5.00 118.95 130.82 2ror s ARG 132 Ca -0.00 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2ror s ARG 132 Cb -0.17 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2ror s ARG 132 CO -0.10 -0.44 0.45 0.45 -0.81 0.00 0.00 175.30 174.85 2ror n SER 133 N -0.33 -2.76 -3.18 -2.12 2.88 -1.26 -5.00 113.62 101.86 2ror n SER 133 Ca -0.09 -0.25 -0.27 0.00 -1.33 0.00 0.00 58.87 56.94 2ror n SER 133 Cb 0.62 -2.44 -0.06 0.00 -0.75 0.00 0.00 64.21 61.58 2ror n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ror n GLY 134 N -1.09 5.11 3.73 0.46 0.00 -1.26 -5.09 105.19 107.05 2ror n GLY 134 Ca -0.07 -2.72 -0.30 0.00 0.00 0.00 0.00 46.02 42.93 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 -2.92 1.50 -0.25 1.61 0.04 -1.26 -5.02 135.00 128.70 2ror s PRO 135 Ca 0.44 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.24 2ror s PRO 135 Cb 0.22 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.89 2ror s PRO 135 CO -0.08 -2.10 0.34 0.45 0.04 0.00 0.00 177.00 175.66 2ror s SER 136 N -3.42 6.26 -0.04 6.66 0.15 -1.26 -4.94 113.70 117.11 2ror s SER 136 Ca 0.63 0.30 -0.08 0.00 0.70 0.00 0.00 55.95 57.50 2ror s SER 136 Cb -0.18 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2ror s SER 136 CO 0.57 -0.12 -0.16 -1.20 1.20 0.00 0.00 173.24 173.54 2ror n SER 137 N 4.96 1.38 0.00 5.45 7.64 -1.26 -5.30 113.62 126.50 2ror n SER 137 Ca -0.10 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2ror n SER 137 Cb 0.51 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2ror n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64