#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 -0.02 0.21 1.61 0.01 -1.26 -5.19 113.70 109.06 2ror s SER 2 Ca 0.00 -0.55 -0.23 0.00 1.31 0.00 0.00 55.95 56.48 2ror s SER 2 Cb 0.00 0.43 0.05 0.00 0.21 0.00 0.00 66.02 66.71 2ror s SER 2 CO 0.00 -0.84 0.89 -0.55 0.41 0.00 0.00 173.24 173.15 2ror s SER 3 N -3.40 -0.16 0.07 2.44 0.15 -1.26 -5.19 113.70 106.35 2ror s SER 3 Ca 0.22 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 56.19 2ror s SER 3 Cb -0.02 0.58 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2ror s SER 3 CO 0.04 -1.10 0.60 0.61 1.20 0.00 0.00 173.24 174.59 2ror n GLY 4 N -0.50 0.77 3.79 9.45 0.00 -1.26 -5.19 105.19 112.25 2ror n GLY 4 Ca -0.05 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.38 -0.04 0.12 1.61 1.04 -1.26 -5.19 113.70 107.61 2ror s SER 5 Ca 0.13 -0.95 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2ror s SER 5 Cb -0.01 0.77 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 2ror s SER 5 CO 0.02 -1.49 0.10 -0.94 0.98 0.00 0.00 173.24 171.90 2ror s SER 6 N -3.02 0.27 0.00 7.02 1.04 -1.26 -5.16 113.70 112.59 2ror s SER 6 Ca 0.15 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2ror s SER 6 Cb -0.05 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2ror s SER 6 CO 0.10 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2ror n GLY 7 N -0.09 0.90 3.56 7.32 0.00 -1.26 -5.18 105.19 110.44 2ror n GLY 7 Ca -0.08 0.58 -0.15 0.00 0.00 0.00 0.00 46.02 46.37 2ror n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ror s LYS 8 N 0.00 0.90 -0.07 1.61 2.20 -1.26 -5.18 119.74 117.95 2ror s LYS 8 Ca 0.00 0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 2ror s LYS 8 Cb 0.00 0.43 0.07 0.00 -1.51 0.00 0.00 37.83 36.82 2ror s LYS 8 CO 0.00 -0.19 0.65 0.00 -0.36 0.00 0.00 175.35 175.45 2ror s ALA 9 N -0.30 -1.68 0.14 3.13 0.00 -1.26 -5.18 121.76 116.61 2ror s ALA 9 Ca -0.05 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2ror s ALA 9 Cb -0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2ror s ALA 9 CO 0.05 -0.36 0.03 -1.21 0.00 0.00 0.00 175.76 174.27 2ror s GLU 10 N -1.04 0.99 0.07 0.00 0.41 -1.26 -5.17 118.70 112.70 2ror s GLU 10 Ca -0.10 -1.47 0.05 0.00 -0.41 0.00 0.00 54.97 53.04 2ror s GLU 10 Cb -0.01 0.01 -0.03 0.00 -1.78 0.00 0.00 34.13 32.32 2ror s GLU 10 CO 0.09 -0.19 -0.15 0.00 -0.49 0.00 0.00 175.26 174.52 2ror s ALA 11 N -3.86 1.23 0.27 5.21 0.00 -1.26 -5.16 121.76 118.19 2ror s ALA 11 Ca 0.23 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 2ror s ALA 11 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2ror s ALA 11 CO 0.02 0.20 0.55 -1.21 0.00 0.00 0.00 175.76 175.32 2ror s GLU 12 N -1.63 1.66 0.22 0.00 2.02 -1.26 -5.19 118.70 114.52 2ror s GLU 12 Ca -0.00 -1.23 -0.09 0.00 0.02 0.00 0.00 54.97 53.67 2ror s GLU 12 Cb -0.10 0.51 -0.01 0.00 0.10 0.00 0.00 34.13 34.63 2ror s GLU 12 CO 0.02 -0.71 0.35 1.14 0.02 0.00 0.00 175.26 176.08 2ror s GLN 13 N -3.86 1.37 -0.15 1.61 1.03 -1.26 -5.16 119.66 113.24 2ror s GLN 13 Ca 0.20 -1.31 0.01 0.00 0.04 0.00 0.00 55.36 54.30 2ror s GLN 13 Cb -0.02 0.40 0.02 0.00 0.03 0.00 0.00 33.01 33.44 2ror s GLN 13 CO 0.09 -0.53 -0.18 -0.80 -2.54 0.00 0.00 175.29 171.33 2ror s ASN 14 N -3.04 2.89 -0.33 12.60 0.01 -1.26 -5.00 114.94 120.81 2ror s ASN 14 Ca 0.25 -0.56 0.07 0.00 -0.71 0.00 0.00 52.86 51.90 2ror s ASN 14 Cb 0.02 -1.33 0.46 0.00 0.41 0.00 0.00 41.25 40.82 2ror s ASN 14 CO 0.07 -0.00 1.38 -2.67 -1.51 0.00 0.00 177.10 174.37 2ror n TRP 15 N 4.53 2.06 0.00 2.20 4.27 -1.26 -4.60 117.44 124.65 2ror n TRP 15 Ca -0.19 -2.10 0.00 0.00 -3.89 0.00 0.00 57.50 51.32 2ror n TRP 15 Cb 0.50 -0.52 0.00 0.00 -1.36 0.00 0.00 31.31 29.93 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 2ror n TRP 16 N -0.89 0.00 -1.56 -2.67 2.14 -1.26 -4.97 117.44 108.23 2ror n TRP 16 Ca 0.41 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.80 2ror n TRP 16 Cb 0.90 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.34 2ror n TRP 16 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 2ror n GLU 17 N -2.21 0.63 -3.84 -2.67 2.13 -1.26 -4.84 120.64 108.57 2ror n GLU 17 Ca 0.00 -0.68 -0.30 0.00 0.66 0.00 0.00 57.16 56.84 2ror n GLU 17 Cb 0.35 -3.57 -0.11 0.00 0.27 0.00 0.00 31.44 28.38 2ror n GLU 17 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2ror s GLY 18 N 10.85 2.98 0.75 8.31 0.00 -1.26 -5.09 107.32 123.86 2ror s GLY 18 Ca 0.95 -3.85 -0.11 0.00 0.00 0.00 0.00 44.72 41.71 2ror s GLY 18 CO 0.13 1.11 1.10 2.56 0.00 0.00 0.00 173.10 177.99 2ror s PRO 19 N -1.44 2.37 0.62 2.90 0.04 -1.26 -5.05 135.00 133.18 2ror s PRO 19 Ca 0.25 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.40 2ror s PRO 19 Cb -0.05 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.74 2ror s PRO 19 CO -0.16 -1.56 0.55 -0.35 0.04 0.00 0.00 177.00 175.52 2ror n PRO 20 N -3.30 -2.09 -1.41 0.56 -0.04 -1.26 -4.93 135.00 122.52 2ror n PRO 20 Ca 0.09 -0.89 -0.41 0.00 -0.04 0.00 0.00 63.50 62.26 2ror n PRO 20 Cb 0.53 -0.83 0.01 0.00 -0.04 0.00 0.00 33.50 33.17 2ror n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ror n GLN 21 N -3.20 0.42 -4.22 0.54 3.00 -1.26 -5.00 117.38 107.67 2ror n GLN 21 Ca 0.08 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 57.10 2ror n GLN 21 Cb 0.30 -1.42 -0.10 0.00 0.00 0.00 0.00 30.24 29.02 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2ror s ASP 22 N -1.00 1.07 0.64 1.08 1.11 -1.26 -5.01 116.67 113.30 2ror s ASP 22 Ca 0.63 -1.15 0.29 0.00 0.18 0.00 0.00 52.55 52.50 2ror s ASP 22 Cb -0.57 0.14 1.58 0.00 1.07 0.00 0.00 42.92 45.14 2ror s ASP 22 CO 0.59 -0.58 1.92 -0.07 1.18 0.00 0.00 175.17 178.21 2ror h LEU 23 N 2.76 0.00 -1.68 1.23 3.38 -1.96 -1.13 115.31 117.91 2ror h LEU 23 Ca -0.36 0.00 0.30 0.00 0.09 0.00 0.00 57.88 57.91 2ror h LEU 23 Cb 1.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 2ror h LEU 23 CO 0.63 0.00 0.74 -1.28 0.09 0.00 0.00 178.44 178.62 2ror h SER 24 N 0.00 0.22 -0.88 -0.43 0.87 -1.95 0.30 113.55 111.69 2ror h SER 24 Ca 0.05 0.04 0.19 0.00 -1.23 0.00 0.00 61.79 60.85 2ror h SER 24 Cb 0.79 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.69 2ror h SER 24 CO -0.00 0.04 0.58 -0.37 -0.53 0.00 0.00 176.83 176.55 2ror h VAL 25 N 0.19 0.70 -4.17 2.23 -1.51 -1.59 -3.42 116.25 108.70 2ror h VAL 25 Ca 0.57 -0.15 -0.49 0.00 -1.23 0.00 0.00 66.70 65.40 2ror h VAL 25 Cb 1.84 0.24 0.06 0.00 -2.13 0.00 0.00 31.29 31.29 2ror h VAL 25 CO -0.16 0.08 0.38 -1.00 -1.23 0.00 0.00 177.57 175.64 2ror s HIS 26 N -5.45 2.96 -1.00 5.19 4.02 0.11 -4.91 115.29 116.21 2ror s HIS 26 Ca -0.08 1.53 0.11 0.00 1.02 0.00 0.00 55.06 57.63 2ror s HIS 26 Cb 0.22 -3.04 0.47 0.00 -1.02 0.00 0.00 32.58 29.21 2ror s HIS 26 CO 0.78 -1.10 1.35 1.28 1.02 0.00 0.00 174.74 178.07 2ror n LEU 27 N -1.79 0.00 -3.99 0.89 4.77 -1.26 -4.51 117.00 111.11 2ror n LEU 27 Ca 0.09 0.50 -0.26 0.00 -0.03 0.00 0.00 56.01 56.31 2ror n LEU 27 Cb 0.53 -0.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.95 2ror n LEU 27 CO 0.45 -0.31 -0.46 -1.66 -1.33 0.00 0.00 177.39 174.08 2ror s TRP 28 N -3.00 1.57 -0.04 -1.77 1.48 -1.26 0.13 118.94 116.05 2ror s TRP 28 Ca 0.05 -0.70 -0.17 0.00 -1.06 0.00 0.00 56.10 54.23 2ror s TRP 28 Cb 0.07 -1.20 0.03 0.00 -1.16 0.00 0.00 33.47 31.21 2ror s TRP 28 CO 0.20 -0.41 0.37 -0.47 -4.06 0.00 0.00 176.95 172.58 2ror s TYR 29 N 1.11 -0.29 -0.27 1.66 5.04 -1.26 -4.59 117.35 118.75 2ror s TYR 29 Ca -0.06 0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 55.08 2ror s TYR 29 Cb -0.14 0.15 0.16 0.00 0.35 0.00 0.00 41.96 42.47 2ror s TYR 29 CO -0.02 -0.38 0.48 0.00 -1.34 0.00 0.00 175.55 174.29 2ror s ALA 30 N -1.02 -1.63 0.95 3.97 0.00 0.25 -4.56 121.76 119.72 2ror s ALA 30 Ca -0.11 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2ror s ALA 30 Cb -0.04 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2ror s ALA 30 CO 0.04 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2ror n GLY 31 N 5.39 -3.01 0.00 0.00 0.00 -1.26 -3.14 105.19 103.18 2ror n GLY 31 Ca -0.02 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.80 1.61 -0.04 -1.26 -3.25 135.00 131.74 2ror n PRO 32 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2ror n PRO 32 Cb 0.00 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2ror n PRO 32 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ror n MET 33 N -0.78 0.00 -2.94 0.54 1.56 -1.26 -4.92 117.12 109.32 2ror n MET 33 Ca 0.07 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.25 2ror n MET 33 Cb 0.03 -0.61 0.01 0.00 2.15 0.00 0.00 33.22 34.79 2ror n MET 33 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2ror s GLU 34 N -0.61 3.24 0.02 2.12 -1.05 -1.26 -4.85 118.70 116.31 2ror s GLU 34 Ca 0.37 -0.26 -0.04 0.00 -0.15 0.00 0.00 54.97 54.88 2ror s GLU 34 Cb -0.41 -2.51 -0.01 0.00 -0.44 0.00 0.00 34.13 30.76 2ror s GLU 34 CO 0.38 -0.21 0.76 -2.13 0.95 0.00 0.00 175.26 175.01 2ror n ARG 35 N -2.11 -0.06 -0.25 -4.83 0.00 -1.26 0.96 116.66 109.10 2ror n ARG 35 Ca 0.00 0.76 0.06 0.00 -0.00 0.00 0.00 57.85 58.67 2ror n ARG 35 Cb 0.57 -1.13 0.19 0.00 0.00 0.00 0.00 32.46 32.09 2ror n ARG 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ror h ALA 36 N -0.49 1.00 -0.97 5.13 0.00 -2.00 1.00 119.26 122.94 2ror h ALA 36 Ca 0.02 0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.29 2ror h ALA 36 Cb 0.06 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 2ror h ALA 36 CO -0.13 -0.33 0.61 0.78 0.00 0.00 0.00 179.25 180.19 2ror h GLY 37 N 0.30 1.36 0.92 0.00 0.00 0.23 -0.87 103.07 105.00 2ror h GLY 37 Ca 0.43 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.32 2ror h GLY 37 CO -0.50 -0.03 -0.51 0.00 0.00 0.00 0.00 176.54 175.50 2ror h ALA 38 N 1.62 0.23 0.08 3.60 0.00 0.49 -3.27 119.26 122.01 2ror h ALA 38 Ca 0.53 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2ror h ALA 38 Cb 1.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2ror h ALA 38 CO -0.28 0.42 -0.19 0.93 0.00 0.00 0.00 179.25 180.13 2ror h GLU 39 N 0.19 -0.33 -0.85 0.00 5.08 -0.60 -2.28 114.58 115.79 2ror h GLU 39 Ca -0.03 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 2ror h GLU 39 Cb 1.15 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 2ror h GLU 39 CO 0.11 -0.22 0.03 1.03 -1.00 0.00 0.00 179.01 178.95 2ror h SER 40 N -0.34 -0.37 0.77 1.42 0.87 -1.34 1.94 113.55 116.49 2ror h SER 40 Ca 0.03 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 2ror h SER 40 Cb 0.37 0.39 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2ror h SER 40 CO -0.12 -0.23 -0.37 0.40 -0.53 0.00 0.00 176.83 175.98 2ror h ILE 41 N 0.08 0.00 0.00 2.23 2.04 -1.49 -2.43 117.51 117.94 2ror h ILE 41 Ca 0.49 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.31 2ror h ILE 41 Cb 0.92 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2ror h ILE 41 CO -0.76 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.57 2ror n LEU 42 N -4.87 0.00 0.06 1.44 4.77 -0.67 -0.83 117.00 116.89 2ror n LEU 42 Ca -0.13 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2ror n LEU 42 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2ror n LEU 42 CO 0.31 0.00 -0.10 0.00 -1.33 0.00 0.00 177.39 176.27 2ror n ALA 43 N -0.86 2.87 0.00 -1.18 0.00 0.65 -4.40 120.51 117.59 2ror n ALA 43 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2ror n ALA 43 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2ror n ALA 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ror n ASN 44 N -2.34 3.83 0.00 0.00 3.02 -0.96 -4.87 115.26 113.93 2ror n ASN 44 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2ror n ASN 44 Cb 0.51 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 2ror n ASN 44 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2ror n ARG 45 N -1.22 0.00 -3.79 3.52 3.00 -0.01 -5.00 116.66 113.17 2ror n ARG 45 Ca 0.00 0.48 0.02 0.00 -0.00 0.00 0.00 57.85 58.35 2ror n ARG 45 Cb 0.05 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.16 2ror n ARG 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ror s SER 46 N -2.24 -0.03 -0.78 6.15 0.15 -1.26 -5.06 113.70 110.63 2ror s SER 46 Ca 0.00 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.22 2ror s SER 46 Cb 0.00 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.53 2ror s SER 46 CO 0.00 -0.32 1.22 -1.81 1.20 0.00 0.00 173.24 173.52 2ror s ASP 47 N -3.36 6.26 0.00 5.45 1.01 -1.26 -3.18 116.67 121.59 2ror s ASP 47 Ca 0.21 -0.88 0.00 0.00 0.71 0.00 0.00 52.55 52.59 2ror s ASP 47 Cb 0.02 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.44 2ror s ASP 47 CO -0.02 -1.62 0.00 0.61 0.21 0.00 0.00 175.17 174.35 2ror n GLY 48 N 5.64 0.68 3.75 0.21 0.00 -0.40 -4.96 105.19 110.10 2ror n GLY 48 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.61 2.63 0.29 2.61 2.01 -1.19 -1.67 115.64 118.71 2ror s THR 49 Ca 0.00 0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 2ror s THR 49 Cb 0.00 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2ror s THR 49 CO 0.00 -0.11 0.40 0.72 -0.69 0.00 0.00 174.62 174.94 2ror s PHE 50 N -1.74 0.93 0.15 4.92 -0.71 0.14 -0.29 117.98 121.37 2ror s PHE 50 Ca 0.76 -1.17 -0.24 0.00 -1.04 0.00 0.00 56.93 55.24 2ror s PHE 50 Cb -0.29 -0.13 0.08 0.00 -1.21 0.00 0.00 43.02 41.46 2ror s PHE 50 CO 0.36 -0.99 1.07 -0.48 -1.34 0.00 0.00 175.22 173.84 2ror s LEU 51 N -3.17 -0.02 -0.27 -1.99 0.05 -0.26 -2.41 118.68 110.61 2ror s LEU 51 Ca 0.30 -0.56 0.02 0.00 0.05 0.00 0.00 54.13 53.94 2ror s LEU 51 Cb 0.01 1.98 0.07 0.00 -2.05 0.00 0.00 46.19 46.20 2ror s LEU 51 CO 0.16 -0.87 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.35 2ror s VAL 52 N -2.33 1.83 -0.03 1.48 1.01 -1.26 -2.30 120.40 118.81 2ror s VAL 52 Ca 0.21 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.64 2ror s VAL 52 Cb -0.02 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2ror s VAL 52 CO 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 175.10 174.92 2ror s ARG 53 N 1.23 2.77 0.56 2.72 1.70 0.88 -0.58 118.95 128.22 2ror s ARG 53 Ca -0.03 -0.58 -0.08 0.00 -0.47 0.00 0.00 55.73 54.56 2ror s ARG 53 Cb -0.19 -2.65 -0.04 0.00 -0.57 0.00 0.00 34.95 31.51 2ror s ARG 53 CO -0.07 0.64 0.93 -1.14 -1.08 0.00 0.00 175.30 174.58 2ror s GLN 54 N -1.27 3.55 0.11 3.89 0.74 -1.19 0.14 119.66 125.63 2ror s GLN 54 Ca 0.17 0.50 -0.04 0.00 0.05 0.00 0.00 55.36 56.04 2ror s GLN 54 Cb -0.11 -2.21 -0.05 0.00 1.10 0.00 0.00 33.01 31.74 2ror s GLN 54 CO 0.07 -0.43 0.33 0.50 -0.55 0.00 0.00 175.29 175.21 2ror s ARG 55 N -5.00 3.59 -0.01 1.67 3.52 0.11 -4.79 118.95 118.04 2ror s ARG 55 Ca 0.52 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 56.03 2ror s ARG 55 Cb -0.11 -2.92 -0.25 0.00 -1.56 0.00 0.00 34.95 30.12 2ror s ARG 55 CO 0.50 0.52 0.79 -0.39 -0.81 0.00 0.00 175.30 175.91 2ror h VAL 56 N 2.22 1.06 -0.90 7.11 -1.51 -1.92 -3.35 116.25 118.96 2ror h VAL 56 Ca -0.46 -2.81 0.11 0.00 -1.23 0.00 0.00 66.70 62.31 2ror h VAL 56 Cb 1.17 2.61 -0.07 0.00 -2.13 0.00 0.00 31.29 32.87 2ror h VAL 56 CO 0.72 0.72 0.58 0.11 -1.23 0.00 0.00 177.57 178.47 2ror h LYS 57 N 0.03 0.83 -2.88 5.19 1.79 -1.97 -3.42 116.57 116.14 2ror h LYS 57 Ca -0.24 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.03 2ror h LYS 57 Cb 1.98 -0.19 -0.26 0.00 -1.58 0.00 0.00 32.23 32.18 2ror h LYS 57 CO 0.11 0.55 -0.34 0.34 -1.08 0.00 0.00 179.45 179.03 2ror s ASP 58 N -5.87 -0.37 0.56 0.86 2.15 -1.25 -5.02 116.67 107.71 2ror s ASP 58 Ca -0.11 0.70 0.32 0.00 0.43 0.00 0.00 52.55 53.89 2ror s ASP 58 Cb 0.21 0.66 1.61 0.00 -0.30 0.00 0.00 42.92 45.11 2ror s ASP 58 CO 0.79 -0.14 2.11 0.00 -0.17 0.00 0.00 175.17 177.76 2ror h ALA 59 N 6.13 1.17 -0.96 3.66 0.00 -1.82 -3.06 119.26 124.37 2ror h ALA 59 Ca -0.30 -0.07 -0.73 0.00 0.00 0.00 0.00 54.91 53.80 2ror h ALA 59 Cb 1.18 -0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 2ror h ALA 59 CO 0.31 0.09 1.05 0.00 0.00 0.00 0.00 179.25 180.70 2ror n ALA 60 N -2.20 6.43 -3.66 0.00 0.00 -1.26 -4.88 120.51 114.93 2ror n ALA 60 Ca -0.01 -4.07 -0.08 0.00 0.00 0.00 0.00 53.44 49.28 2ror n ALA 60 Cb 0.22 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 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 -3.55 0.54 0.49 0.00 0.41 -1.16 -4.57 118.70 110.86 2ror s GLU 61 Ca 0.50 1.05 0.04 0.00 -0.41 0.00 0.00 54.97 56.15 2ror s GLU 61 Cb 0.35 0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 32.83 2ror s GLU 61 CO -0.29 -0.17 0.09 -0.06 -0.49 0.00 0.00 175.26 174.34 2ror s PHE 62 N 1.73 2.02 -0.02 1.61 0.08 -1.23 0.08 117.98 122.25 2ror s PHE 62 Ca -0.09 -0.85 -0.19 0.00 0.12 0.00 0.00 56.93 55.92 2ror s PHE 62 Cb -0.08 -1.73 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2ror s PHE 62 CO -0.16 0.14 0.42 0.00 -0.10 0.00 0.00 175.22 175.51 2ror s ALA 63 N -2.80 -1.06 -0.37 5.36 0.00 0.36 0.13 121.76 123.38 2ror s ALA 63 Ca 0.19 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2ror s ALA 63 Cb 0.03 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.32 2ror s ALA 63 CO 0.11 -0.30 0.12 0.42 0.00 0.00 0.00 175.76 176.11 2ror s ILE 64 N -1.34 2.79 -0.17 0.00 1.01 -0.25 -0.09 121.20 123.15 2ror s ILE 64 Ca -0.13 -2.14 -0.15 0.00 0.00 0.00 0.00 60.65 58.23 2ror s ILE 64 Cb -0.04 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 2ror s ILE 64 CO 0.06 -0.60 0.34 -0.55 0.00 0.00 0.00 174.94 174.18 2ror s SER 65 N 1.37 6.45 0.01 3.58 0.15 -0.97 -2.76 113.70 121.52 2ror s SER 65 Ca 0.08 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.28 2ror s SER 65 Cb -0.21 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2ror s SER 65 CO -0.06 0.04 -0.05 -0.51 1.20 0.00 0.00 173.24 173.86 2ror s ILE 66 N 0.72 0.37 -0.25 6.45 -1.16 -1.02 -1.11 121.20 125.21 2ror s ILE 66 Ca 0.18 -0.48 -0.20 0.00 -0.51 0.00 0.00 60.65 59.64 2ror s ILE 66 Cb -0.14 -0.37 -0.02 0.00 0.61 0.00 0.00 42.46 42.55 2ror s ILE 66 CO 0.06 -0.08 0.63 -0.75 -2.81 0.00 0.00 174.94 171.98 2ror s LYS 67 N -0.60 4.11 -0.28 3.50 2.47 0.60 -1.60 119.74 127.94 2ror s LYS 67 Ca -0.03 0.54 -0.20 0.00 -1.56 0.00 0.00 55.97 54.72 2ror s LYS 67 Cb -0.04 -3.65 0.09 0.00 -1.46 0.00 0.00 37.83 32.76 2ror s LYS 67 CO -0.00 -0.41 0.75 -0.47 0.16 0.00 0.00 175.35 175.38 2ror s TYR 68 N 2.49 -0.87 -0.39 4.03 5.04 -0.85 -1.27 117.35 125.53 2ror s TYR 68 Ca 0.26 1.89 -0.01 0.00 -2.44 0.00 0.00 57.07 56.77 2ror s TYR 68 Cb -0.15 0.45 -0.01 0.00 0.35 0.00 0.00 41.96 42.59 2ror s TYR 68 CO 0.08 -0.43 0.34 -1.71 -1.34 0.00 0.00 175.55 172.49 2ror n ASN 69 N 3.46 -2.82 -1.76 4.32 2.85 -1.26 -3.24 115.26 116.81 2ror n ASN 69 Ca -0.17 -0.23 -0.01 0.00 -0.11 0.00 0.00 54.58 54.06 2ror n ASN 69 Cb 0.57 -2.14 -0.00 0.00 1.24 0.00 0.00 39.78 39.45 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 -2.10 -0.02 -3.70 3.44 0.24 -1.26 -4.82 118.33 110.12 2ror n VAL 70 Ca -0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.12 2ror n VAL 70 Cb 0.55 -0.08 -0.10 0.00 -1.47 0.00 0.00 33.84 32.74 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 -3.54 0.48 -0.30 7.34 2.02 -1.20 -5.13 118.70 118.37 2ror s GLU 71 Ca 0.00 0.75 -0.23 0.00 0.02 0.00 0.00 54.97 55.51 2ror s GLU 71 Cb 0.00 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.35 2ror s GLU 71 CO 0.00 -0.11 0.75 0.08 0.02 0.00 0.00 175.26 176.00 2ror s VAL 72 N 0.87 4.83 0.50 2.63 1.01 -1.26 -2.00 120.40 126.98 2ror s VAL 72 Ca -0.05 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.09 2ror s VAL 72 Cb -0.06 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2ror s VAL 72 CO -0.07 -0.21 0.69 -0.54 0.00 0.00 0.00 175.10 174.97 2ror s LYS 73 N 2.86 2.61 -0.09 2.72 -0.14 -0.63 -4.96 119.74 122.11 2ror s LYS 73 Ca 0.31 -1.08 -0.16 0.00 -1.36 0.00 0.00 55.97 53.68 2ror s LYS 73 Cb -0.14 -2.62 0.04 0.00 -1.68 0.00 0.00 37.83 33.42 2ror s LYS 73 CO 0.12 -0.56 0.39 -1.01 -0.76 0.00 0.00 175.35 173.53 2ror s HIS 74 N -2.59 -0.36 -0.01 3.18 3.76 -1.26 -2.43 115.29 115.58 2ror s HIS 74 Ca 0.57 0.76 0.03 0.00 -0.15 0.00 0.00 55.06 56.27 2ror s HIS 74 Cb -0.10 0.15 -0.00 0.00 1.11 0.00 0.00 32.58 33.74 2ror s HIS 74 CO 0.36 -0.32 -0.10 0.42 -0.85 0.00 0.00 174.74 174.26 2ror s ILE 75 N -0.52 0.80 0.34 0.60 1.01 -1.11 -4.97 121.20 117.35 2ror s ILE 75 Ca -0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 2ror s ILE 75 Cb -0.04 -0.68 -0.09 0.00 0.01 0.00 0.00 42.46 41.66 2ror s ILE 75 CO 0.03 0.23 0.79 -0.75 0.00 0.00 0.00 174.94 175.24 2ror s LYS 76 N -0.09 4.08 -0.10 2.79 2.20 -1.26 -1.09 119.74 126.26 2ror s LYS 76 Ca 0.02 0.79 0.03 0.00 -0.36 0.00 0.00 55.97 56.45 2ror s LYS 76 Cb -0.05 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 2ror s LYS 76 CO -0.00 0.13 -0.20 0.42 -0.36 0.00 0.00 175.35 175.34 2ror s ILE 77 N -2.00 2.47 0.57 5.43 1.01 0.34 -4.45 121.20 124.57 2ror s ILE 77 Ca 0.55 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2ror s ILE 77 Cb -0.10 -1.98 0.04 0.00 0.01 0.00 0.00 42.46 40.43 2ror s ILE 77 CO 0.17 0.55 0.80 -0.04 0.00 0.00 0.00 174.94 176.42 2ror s MET 78 N 0.19 2.52 -0.17 2.79 -1.94 0.10 -3.48 119.30 119.30 2ror s MET 78 Ca -0.12 -0.72 -0.06 0.00 -1.71 0.00 0.00 55.69 53.09 2ror s MET 78 Cb -0.16 -2.45 0.08 0.00 2.01 0.00 0.00 34.83 34.31 2ror s MET 78 CO 0.06 -0.76 0.35 0.95 -0.01 0.00 0.00 175.02 175.61 2ror s THR 79 N -2.81 -0.55 -0.20 2.05 -4.23 -1.26 -2.90 115.64 105.73 2ror s THR 79 Ca 0.57 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 61.28 2ror s THR 79 Cb -0.10 -0.58 0.05 0.00 1.34 0.00 0.00 72.50 73.21 2ror s THR 79 CO 0.39 0.08 -0.03 0.00 -0.54 0.00 0.00 174.62 174.52 2ror s ALA 80 N 2.53 1.56 -1.50 3.99 0.00 -1.23 -4.80 121.76 122.31 2ror s ALA 80 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2ror s ALA 80 Cb -0.12 -1.28 0.07 0.00 0.00 0.00 0.00 23.12 21.79 2ror s ALA 80 CO -0.11 -1.07 0.73 0.39 0.00 0.00 0.00 175.76 175.70 2ror n GLU 81 N 4.83 -4.22 -0.96 0.00 -0.58 -1.26 -0.73 120.64 117.73 2ror n GLU 81 Ca -0.11 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 2ror n GLU 81 Cb 0.46 -5.08 0.00 0.00 -0.57 0.00 0.00 31.44 26.25 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 -1.68 0.50 4.02 0.62 0.00 -1.26 -5.06 105.19 102.33 2ror n GLY 82 Ca -0.10 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 3.15 -0.22 0.99 1.43 0.09 -4.67 118.68 119.45 2ror s LEU 83 Ca 0.00 -0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 52.19 2ror s LEU 83 Cb 0.00 -1.74 0.09 0.00 0.03 0.00 0.00 46.19 44.57 2ror s LEU 83 CO 0.00 -1.25 0.50 -0.31 0.23 0.00 0.00 176.35 175.52 2ror s TYR 84 N -2.63 -0.90 -0.21 0.29 1.51 -1.20 -3.47 117.35 110.73 2ror s TYR 84 Ca 0.59 1.72 -0.27 0.00 -1.01 0.00 0.00 57.07 58.11 2ror s TYR 84 Cb -0.06 0.45 0.07 0.00 -0.11 0.00 0.00 41.96 42.31 2ror s TYR 84 CO 0.37 -0.49 0.72 -0.98 -1.11 0.00 0.00 175.55 174.06 2ror s ARG 85 N 2.22 0.88 0.02 -0.62 1.70 -1.14 -2.04 118.95 119.97 2ror s ARG 85 Ca -0.06 0.80 0.22 0.00 -0.47 0.00 0.00 55.73 56.22 2ror s ARG 85 Cb -0.10 0.43 -0.14 0.00 -0.57 0.00 0.00 34.95 34.57 2ror s ARG 85 CO -0.15 -0.16 0.84 0.44 -1.08 0.00 0.00 175.30 175.19 2ror n ILE 86 N 2.21 0.09 -4.21 4.99 -5.35 -1.26 0.02 119.36 115.85 2ror n ILE 86 Ca -0.15 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 61.95 2ror n ILE 86 Cb 0.56 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.69 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 -3.24 0.31 0.08 7.28 -4.23 -1.26 -4.90 115.64 109.68 2ror s THR 87 Ca 0.01 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 2ror s THR 87 Cb 0.15 -2.22 -0.19 0.00 1.34 0.00 0.00 72.50 71.58 2ror s THR 87 CO 0.85 -0.33 1.26 1.05 -0.54 0.00 0.00 174.62 176.91 2ror h GLU 88 N 2.71 0.00 0.25 3.99 9.09 -2.04 -3.35 114.58 125.23 2ror h GLU 88 Ca -0.36 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.04 2ror h GLU 88 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 2ror h GLU 88 CO 0.59 0.92 -0.12 0.87 0.05 0.00 0.00 179.01 181.33 2ror h LYS 89 N 0.00 -0.32 -6.35 1.06 1.57 -2.02 -3.45 116.57 107.06 2ror h LYS 89 Ca -0.02 0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2ror h LYS 89 Cb 1.75 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.10 2ror h LYS 89 CO 0.12 0.04 -0.18 0.21 -0.57 0.00 0.00 179.45 179.07 2ror s LYS 90 N -3.81 3.75 0.15 3.15 2.47 -1.26 -5.10 119.74 119.08 2ror s LYS 90 Ca -0.13 0.16 -0.11 0.00 -1.56 0.00 0.00 55.97 54.34 2ror s LYS 90 Cb 0.01 -2.71 0.00 0.00 -1.46 0.00 0.00 37.83 33.67 2ror s LYS 90 CO 0.46 0.37 0.30 0.00 0.16 0.00 0.00 175.35 176.64 2ror s ALA 91 N -1.76 -0.25 0.27 3.13 0.00 -1.26 -4.21 121.76 117.68 2ror s ALA 91 Ca 0.45 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2ror s ALA 91 Cb -0.12 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2ror s ALA 91 CO 0.22 -0.63 0.37 -0.06 0.00 0.00 0.00 175.76 175.66 2ror s PHE 92 N -3.92 0.90 -0.21 0.00 0.40 -0.87 -5.01 117.98 109.27 2ror s PHE 92 Ca 0.12 -1.15 -0.14 0.00 -0.60 0.00 0.00 56.93 55.17 2ror s PHE 92 Cb 0.03 -0.16 -0.19 0.00 0.51 0.00 0.00 43.02 43.21 2ror s PHE 92 CO -0.04 -0.93 0.07 -2.13 0.70 0.00 0.00 175.22 172.88 2ror n ARG 93 N -0.42 0.63 -4.31 0.44 3.00 -1.26 -3.27 116.66 111.46 2ror n ARG 93 Ca 0.01 0.38 -0.17 0.00 -0.00 0.00 0.00 57.85 58.07 2ror n ARG 93 Cb 0.63 -1.65 -0.10 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 -5.37 1.31 0.38 5.14 0.00 -1.26 -4.08 107.32 103.43 2ror s GLY 94 Ca -0.30 -1.61 0.05 0.00 0.00 0.00 0.00 44.72 42.86 2ror s GLY 94 CO 0.61 -1.70 2.01 -2.00 0.00 0.00 0.00 173.10 172.02 2ror h LEU 95 N 2.63 0.54 0.00 0.66 5.85 -1.90 -2.87 115.31 120.21 2ror h LEU 95 Ca -0.38 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2ror h LEU 95 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2ror h LEU 95 CO 0.63 0.43 0.00 0.41 -0.34 0.00 0.00 178.44 179.57 2ror n THR 96 N -4.43 0.00 -0.27 1.05 -1.04 -1.26 -2.14 114.28 106.20 2ror n THR 96 Ca 0.04 1.49 0.03 0.00 -2.04 0.00 0.00 64.05 63.57 2ror n THR 96 Cb 0.09 -2.36 0.12 0.00 -1.82 0.00 0.00 70.33 66.36 2ror n THR 96 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2ror h GLU 97 N 0.00 0.02 -1.11 -2.82 4.39 -1.94 0.69 114.58 113.82 2ror h GLU 97 Ca 0.00 -0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.01 2ror h GLU 97 Cb 0.00 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 2ror h GLU 97 CO 0.00 0.02 0.72 1.25 -1.16 0.00 0.00 179.01 179.83 2ror h LEU 98 N 0.02 0.38 0.00 1.33 6.46 -1.34 1.10 115.31 123.26 2ror h LEU 98 Ca 0.39 0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 58.17 2ror h LEU 98 Cb 0.63 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 2ror h LEU 98 CO -0.76 0.02 -0.73 0.52 -0.62 0.00 0.00 178.44 176.87 2ror n VAL 99 N -4.62 1.45 0.01 1.05 0.31 0.19 -2.98 118.33 113.75 2ror n VAL 99 Ca 0.28 0.15 0.01 0.00 -0.01 0.00 0.00 64.34 64.76 2ror n VAL 99 Cb 1.02 -2.29 0.03 0.00 -0.91 0.00 0.00 33.84 31.68 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 -4.56 0.01 -0.11 5.55 1.02 0.13 -1.82 120.64 120.86 2ror n GLU 100 Ca -0.14 0.49 -0.24 0.00 -0.02 0.00 0.00 57.16 57.24 2ror n GLU 100 Cb 0.38 -1.55 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 2ror n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ror n PHE 101 N -1.52 0.51 0.16 -0.32 7.35 0.38 -4.26 117.46 119.75 2ror n PHE 101 Ca -0.00 0.18 0.17 0.00 -0.76 0.00 0.00 57.45 57.04 2ror n PHE 101 Cb 0.02 -1.06 0.77 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 -0.71 0.00 0.00 -5.13 0.05 -1.25 0.15 116.97 110.08 2ror h TYR 102 Ca -0.53 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.25 2ror h TYR 102 Cb 1.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.35 2ror h TYR 102 CO 0.01 0.00 0.00 1.04 -1.05 0.00 0.00 178.16 178.16 2ror n GLN 103 N -4.01 0.04 -0.02 4.88 6.02 -1.03 -2.28 117.38 120.98 2ror n GLN 103 Ca 0.03 0.32 -0.03 0.00 -0.01 0.00 0.00 57.00 57.32 2ror n GLN 103 Cb 0.38 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.39 2.25 -3.68 -1.09 3.00 0.50 -4.74 117.38 112.24 2ror n GLN 104 Ca 0.02 0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 2ror n GLN 104 Cb 0.05 -1.11 -0.12 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 -3.84 5.47 0.18 1.08 2.20 -0.96 -5.06 114.94 114.00 2ror s ASN 105 Ca -0.04 -0.73 -0.33 0.00 -0.94 0.00 0.00 52.86 50.82 2ror s ASN 105 Cb 0.01 -1.97 -0.15 0.00 -2.00 0.00 0.00 41.25 37.15 2ror s ASN 105 CO 0.15 -0.25 1.34 -0.24 -2.94 0.00 0.00 177.10 175.16 2ror n SER 106 N 4.94 2.17 0.00 3.54 2.88 -1.26 -4.64 113.62 121.25 2ror n SER 106 Ca -0.13 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 2ror n SER 106 Cb 0.48 -1.32 0.36 0.00 -0.75 0.00 0.00 64.21 62.97 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 2.35 0.00 0.23 2.46 4.32 -1.19 -2.79 117.00 122.38 2ror n LEU 107 Ca 0.15 0.42 0.15 0.00 -0.02 0.00 0.00 56.01 56.70 2ror n LEU 107 Cb 0.27 -0.42 0.81 0.00 -1.62 0.00 0.00 43.42 42.46 2ror n LEU 107 CO 0.62 -0.20 0.96 0.07 -1.22 0.00 0.00 177.39 177.62 2ror h LYS 108 N 0.00 0.00 -0.12 3.23 2.10 -0.81 0.18 116.57 121.15 2ror h LYS 108 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2ror h LYS 108 Cb 0.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 2ror h LYS 108 CO 0.00 0.00 -0.52 0.22 -2.00 0.00 0.00 179.45 177.15 2ror h ASP 109 N 0.00 0.36 0.00 7.07 1.82 -1.79 -3.35 116.42 120.53 2ror h ASP 109 Ca 0.00 -0.18 -0.37 0.00 -0.39 0.00 0.00 57.03 56.09 2ror h ASP 109 Cb 0.03 -0.10 -0.05 0.00 0.68 0.00 0.00 39.33 39.88 2ror h ASP 109 CO 0.00 0.82 -2.21 0.00 -1.61 0.00 0.00 179.24 176.24 2ror s PHE 111 N -2.46 3.43 0.57 0.00 0.08 0.50 -4.93 117.98 115.17 2ror s PHE 111 Ca -0.33 -1.89 0.32 0.00 0.12 0.00 0.00 56.93 55.16 2ror s PHE 111 Cb 0.12 -3.53 1.45 0.00 -0.57 0.00 0.00 43.02 40.49 2ror s PHE 111 CO 0.41 -0.99 1.78 1.57 -0.10 0.00 0.00 175.22 177.90 2ror h LYS 112 N 8.34 0.00 -0.08 0.44 -0.00 -1.80 0.13 116.57 123.59 2ror h LYS 112 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.45 2ror h LYS 112 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.29 2ror h LYS 112 CO 0.86 0.00 -0.02 1.03 -0.00 0.00 0.00 179.45 181.32 2ror h SER 113 N 0.00 0.16 -1.04 7.07 0.87 -1.91 -3.37 113.55 115.32 2ror h SER 113 Ca 0.43 -0.37 -0.63 0.00 -1.23 0.00 0.00 61.79 59.99 2ror h SER 113 Cb 1.94 -0.04 -0.09 0.00 -0.44 0.00 0.00 62.40 63.76 2ror h SER 113 CO -0.00 0.49 1.74 -0.76 -0.53 0.00 0.00 176.83 177.77 2ror s LEU 114 N -9.41 3.65 -0.18 2.23 2.01 0.44 -4.81 118.68 112.60 2ror s LEU 114 Ca -0.15 -1.82 0.01 0.00 0.01 0.00 0.00 54.13 52.18 2ror s LEU 114 Cb 0.04 -2.57 0.21 0.00 0.01 0.00 0.00 46.19 43.89 2ror s LEU 114 CO 0.70 -1.38 1.52 -0.67 1.01 0.00 0.00 176.35 177.53 2ror n ASP 115 N 8.67 4.10 -3.80 2.29 2.03 -1.26 -0.33 116.55 128.25 2ror n ASP 115 Ca 0.39 -2.66 -0.10 0.00 0.52 0.00 0.00 54.79 52.94 2ror n ASP 115 Cb 0.49 -0.75 -0.05 0.00 -0.72 0.00 0.00 41.12 40.09 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ror s THR 116 N -1.32 0.04 0.29 5.18 -1.32 -1.26 -4.87 115.64 112.39 2ror s THR 116 Ca 0.21 -0.96 0.11 0.00 -1.21 0.00 0.00 61.69 59.84 2ror s THR 116 Cb 0.17 -1.64 -0.05 0.00 -1.51 0.00 0.00 72.50 69.47 2ror s THR 116 CO 0.03 -0.19 -0.17 0.28 -2.21 0.00 0.00 174.62 172.36 2ror s THR 117 N -3.90 2.47 -0.45 5.08 -1.32 -1.26 -3.17 115.64 113.09 2ror s THR 117 Ca 0.11 -2.35 -0.42 0.00 -1.21 0.00 0.00 61.69 57.82 2ror s THR 117 Cb 0.00 -2.39 -0.17 0.00 -1.51 0.00 0.00 72.50 68.43 2ror s THR 117 CO -0.02 -0.36 2.03 0.18 -2.21 0.00 0.00 174.62 174.24 2ror n LEU 118 N -0.67 1.25 -0.09 9.08 4.77 -1.26 -4.83 117.00 125.26 2ror n LEU 118 Ca -0.05 0.74 -0.15 0.00 -0.03 0.00 0.00 56.01 56.52 2ror n LEU 118 Cb 0.61 -0.99 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2ror n LEU 118 CO 0.39 -0.74 -0.42 1.56 -1.33 0.00 0.00 177.39 176.85 2ror h GLN 119 N 8.93 0.00 -3.27 3.23 4.20 -1.65 -3.42 115.11 123.12 2ror h GLN 119 Ca -0.22 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.29 2ror h GLN 119 Cb 1.38 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.88 2ror h GLN 119 CO 1.05 0.63 -0.54 -0.06 -0.67 0.00 0.00 178.83 179.24 2ror s PHE 120 N -2.29 -0.20 0.00 2.96 0.08 -1.12 -4.94 117.98 112.46 2ror s PHE 120 Ca -0.23 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.32 2ror s PHE 120 Cb 0.04 0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2ror s PHE 120 CO 0.45 -0.13 0.00 -0.35 -0.10 0.00 0.00 175.22 175.09 2ror n PRO 121 N 3.52 -0.67 0.02 0.24 -0.04 -1.26 0.28 135.00 137.08 2ror n PRO 121 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 2ror n PRO 121 Cb 0.56 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.34 0.39 0.30 0.54 3.04 -1.36 -3.39 116.94 115.12 2ror h PHE 122 Ca 0.00 -0.29 -0.01 0.00 3.98 0.00 0.00 57.97 61.65 2ror h PHE 122 Cb 0.00 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.50 2ror h PHE 122 CO 0.00 1.22 -0.14 0.87 -2.02 0.00 0.00 178.31 178.24 2ror h LYS 123 N -0.55 -0.39 -1.29 1.11 1.79 -0.66 -3.49 116.57 113.10 2ror h LYS 123 Ca -0.10 0.03 0.23 0.00 -2.18 0.00 0.00 60.65 58.63 2ror h LYS 123 Cb 1.46 0.09 -0.23 0.00 -1.58 0.00 0.00 32.23 31.97 2ror h LYS 123 CO 0.11 -0.26 0.84 -1.83 -1.08 0.00 0.00 179.45 177.24 2ror s GLU 124 N -3.79 0.23 -0.28 3.15 4.04 -1.26 -5.11 118.70 115.69 2ror s GLU 124 Ca -0.06 -0.02 -0.29 0.00 0.04 0.00 0.00 54.97 54.65 2ror s GLU 124 Cb 0.01 0.11 -0.02 0.00 0.02 0.00 0.00 34.13 34.24 2ror s GLU 124 CO 0.18 -0.09 1.65 -1.25 -1.84 0.00 0.00 175.26 173.91 2ror s PRO 125 N -1.66 3.63 -0.30 -4.83 0.04 -1.26 -4.43 135.00 126.19 2ror s PRO 125 Ca 0.08 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2ror s PRO 125 Cb -0.01 -4.08 0.17 0.00 0.04 0.00 0.00 34.50 30.62 2ror s PRO 125 CO -0.05 -1.49 0.90 -2.00 0.04 0.00 0.00 177.00 174.40 2ror s GLU 126 N 4.99 0.34 -0.03 4.56 2.12 -1.26 -5.07 118.70 124.36 2ror s GLU 126 Ca 0.73 0.71 0.05 0.00 0.36 0.00 0.00 54.97 56.82 2ror s GLU 126 Cb -0.23 0.41 -0.01 0.00 0.26 0.00 0.00 34.13 34.57 2ror s GLU 126 CO 0.31 -0.26 -0.17 -1.59 -0.54 0.00 0.00 175.26 173.01 2ror s LYS 127 N 2.75 1.59 -0.05 4.30 0.00 -1.26 -5.04 119.74 122.03 2ror s LYS 127 Ca 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 55.97 55.36 2ror s LYS 127 Cb -0.10 -1.46 0.03 0.00 0.00 0.00 0.00 37.83 36.30 2ror s LYS 127 CO -0.16 0.32 0.04 1.03 0.00 0.00 0.00 175.35 176.58 2ror s ARG 128 N -0.20 0.10 -0.43 1.78 1.81 -1.26 -5.10 118.95 115.65 2ror s ARG 128 Ca 0.02 0.29 -0.27 0.00 -1.72 0.00 0.00 55.73 54.05 2ror s ARG 128 Cb -0.09 -0.60 -0.03 0.00 -0.45 0.00 0.00 34.95 33.78 2ror s ARG 128 CO 0.01 -0.31 1.93 -0.08 -0.68 0.00 0.00 175.30 176.17 2ror s THR 129 N 2.02 3.34 -0.28 0.02 -1.32 -1.26 -4.89 115.64 113.26 2ror s THR 129 Ca 0.04 0.30 -0.26 0.00 -1.21 0.00 0.00 61.69 60.55 2ror s THR 129 Cb -0.12 -3.60 0.16 0.00 -1.51 0.00 0.00 72.50 67.43 2ror s THR 129 CO -0.03 -0.48 1.26 -0.51 -2.21 0.00 0.00 174.62 172.65 2ror s ILE 130 N 8.37 0.00 -0.26 5.08 2.07 -1.26 -5.16 121.20 130.03 2ror s ILE 130 Ca 0.80 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.94 2ror s ILE 130 Cb -0.20 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.50 2ror s ILE 130 CO 0.29 0.00 0.58 -0.44 -1.91 0.00 0.00 174.94 173.45 2ror s SER 131 N -0.09 -0.84 0.55 4.50 0.01 -1.26 -5.17 113.70 111.40 2ror s SER 131 Ca 0.05 1.37 0.04 0.00 1.31 0.00 0.00 55.95 58.73 2ror s SER 131 Cb -0.04 1.88 0.04 0.00 0.21 0.00 0.00 66.02 68.10 2ror s SER 131 CO -0.10 -0.22 0.32 -0.13 0.41 0.00 0.00 173.24 173.51 2ror s ARG 132 N 2.63 2.23 -0.09 12.44 3.00 -1.26 -5.14 118.95 132.77 2ror s ARG 132 Ca -0.05 -2.16 -0.02 0.00 0.00 0.00 0.00 55.73 53.50 2ror s ARG 132 Cb -0.11 -1.95 -0.03 0.00 0.00 0.00 0.00 34.95 32.86 2ror s ARG 132 CO -0.17 -0.62 0.00 0.45 0.00 0.00 0.00 175.30 174.96 2ror s SER 133 N -4.22 5.25 0.00 0.23 0.15 -1.26 -5.02 113.70 108.83 2ror s SER 133 Ca 0.25 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2ror s SER 133 Cb -0.02 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2ror s SER 133 CO 0.16 0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2ror n GLY 134 N 2.23 0.42 1.35 9.45 0.00 -1.26 -5.18 105.19 112.21 2ror n GLY 134 Ca -0.19 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.84 -3.62 1.61 -0.04 -1.26 -5.10 135.00 124.74 2ror n PRO 135 Ca 0.00 -0.67 -0.10 0.00 -0.04 0.00 0.00 63.50 62.68 2ror n PRO 135 Cb 0.00 -0.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 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 -2.64 -0.31 -0.19 3.54 0.15 -1.26 -5.18 113.70 107.80 2ror s SER 136 Ca 0.27 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 2ror s SER 136 Cb -0.03 0.53 0.11 0.00 -1.71 0.00 0.00 66.02 64.93 2ror s SER 136 CO 0.21 -0.94 0.95 -0.94 1.20 0.00 0.00 173.24 173.73 2ror s SER 137 N -2.81 -0.46 0.00 5.45 1.04 -1.26 -5.25 113.70 110.41 2ror s SER 137 Ca 0.04 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.14 2ror s SER 137 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2ror s SER 137 CO -0.09 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.43