#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 -0.67 -0.27 1.61 1.04 -1.26 -5.17 113.70 108.98 2ror s SER 2 Ca 0.00 0.95 -0.13 0.00 0.48 0.00 0.00 55.95 57.25 2ror s SER 2 Cb 0.00 0.85 0.09 0.00 0.10 0.00 0.00 66.02 67.06 2ror s SER 2 CO 0.00 -0.47 0.64 -0.94 0.98 0.00 0.00 173.24 173.45 2ror s SER 3 N -0.63 -0.94 0.04 7.02 1.04 -1.26 -5.08 113.70 113.89 2ror s SER 3 Ca -0.07 1.46 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2ror s SER 3 Cb -0.02 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.73 2ror s SER 3 CO 0.06 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2ror n GLY 4 N 4.73 -0.19 3.17 7.32 0.00 -1.26 -5.09 105.19 113.88 2ror n GLY 4 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.26 3.41 0.21 1.61 1.04 -1.26 -5.11 113.70 109.34 2ror s SER 5 Ca 0.00 -0.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 2ror s SER 5 Cb 0.00 -1.54 -0.03 0.00 0.10 0.00 0.00 66.02 64.56 2ror s SER 5 CO 0.00 0.00 0.24 -0.55 0.98 0.00 0.00 173.24 173.92 2ror s SER 6 N 1.28 0.08 0.00 7.02 0.15 -1.26 -5.16 113.70 115.80 2ror s SER 6 Ca 0.04 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2ror s SER 6 Cb -0.14 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2ror s SER 6 CO -0.10 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.02 2ror n GLY 7 N -0.29 1.03 0.77 9.45 0.00 -1.26 -5.06 105.19 109.83 2ror n GLY 7 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2ror n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ror n LYS 8 N 0.00 0.00 -2.14 1.61 0.00 -1.26 -4.85 118.16 111.52 2ror n LYS 8 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.09 2ror n LYS 8 Cb 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 35.03 34.49 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ror n ALA 9 N -2.62 4.82 -2.64 3.14 0.00 -1.26 -5.03 120.51 116.92 2ror n ALA 9 Ca 0.00 -3.76 -0.20 0.00 0.00 0.00 0.00 53.44 49.48 2ror n ALA 9 Cb 0.37 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 2ror n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 10 N -3.61 0.93 -0.72 0.00 8.01 -1.26 -4.80 118.70 117.25 2ror s GLU 10 Ca 0.49 -0.67 -0.05 0.00 0.01 0.00 0.00 54.97 54.75 2ror s GLU 10 Cb 0.40 -0.92 0.01 0.00 -4.31 0.00 0.00 34.13 29.31 2ror s GLU 10 CO 0.01 0.23 0.63 0.00 0.01 0.00 0.00 175.26 176.15 2ror n ALA 11 N 2.12 -0.73 -1.23 5.21 0.00 -1.26 -4.92 120.51 119.69 2ror n ALA 11 Ca -0.17 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 2ror n ALA 11 Cb 0.55 -3.10 0.03 0.00 0.00 0.00 0.00 19.45 16.93 2ror n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ror n GLU 12 N -2.91 2.27 -1.00 0.00 -0.00 -1.26 -5.01 120.64 112.73 2ror n GLU 12 Ca -0.00 -2.41 -0.36 0.00 -0.00 0.00 0.00 57.16 54.39 2ror n GLU 12 Cb 0.54 -1.97 0.04 0.00 -0.00 0.00 0.00 31.44 30.04 2ror n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ror n GLN 13 N -0.02 -0.01 -0.09 3.44 -0.00 -1.26 -4.92 117.38 114.52 2ror n GLN 13 Ca 0.46 -0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.49 2ror n GLN 13 Cb 0.56 -1.03 0.05 0.00 -0.00 0.00 0.00 30.24 29.82 2ror n GLN 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2ror n ASN 14 N 3.30 1.56 -2.56 2.61 6.94 -1.26 -4.86 115.26 120.98 2ror n ASN 14 Ca -0.01 -2.21 -0.21 0.00 -0.02 0.00 0.00 54.58 52.13 2ror n ASN 14 Cb 0.56 -0.17 -0.10 0.00 -2.36 0.00 0.00 39.78 37.71 2ror n ASN 14 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 2ror n TRP 15 N -0.67 0.90 -3.66 -2.53 7.02 -1.26 -4.78 117.44 112.45 2ror n TRP 15 Ca 0.05 -1.96 -0.13 0.00 -1.02 0.00 0.00 57.50 54.44 2ror n TRP 15 Cb 0.47 -1.82 0.00 0.00 -2.42 0.00 0.00 31.31 27.55 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 2ror n TRP 16 N 3.04 -1.12 -0.43 -5.99 2.14 -1.26 -4.97 117.44 108.85 2ror n TRP 16 Ca 0.52 -1.20 0.40 0.00 2.07 0.00 0.00 57.50 59.29 2ror n TRP 16 Cb 0.57 -0.23 0.77 0.00 -0.81 0.00 0.00 31.31 31.60 2ror n TRP 16 CO 0.00 0.00 0.00 1.05 2.07 0.00 0.00 177.69 180.81 2ror h GLU 17 N 0.00 0.00 0.00 -2.67 4.11 -2.04 -3.45 114.58 110.54 2ror h GLU 17 Ca -0.18 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2ror h GLU 17 Cb 0.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2ror h GLU 17 CO 0.28 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.77 2ror n GLY 18 N -1.81 4.37 3.74 1.06 0.00 -1.26 -5.13 105.19 106.17 2ror n GLY 18 Ca 0.31 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.31 1.73 0.95 1.61 0.04 -1.26 -5.04 135.00 128.73 2ror s PRO 19 Ca 0.00 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 2ror s PRO 19 Cb 0.00 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2ror s PRO 19 CO 0.00 -1.96 1.09 -1.25 0.04 0.00 0.00 177.00 174.92 2ror s PRO 20 N -4.92 0.79 0.14 0.56 0.04 -1.26 -4.90 135.00 125.45 2ror s PRO 20 Ca 0.62 0.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.07 2ror s PRO 20 Cb -0.18 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 2ror s PRO 20 CO 0.56 -2.52 0.51 0.94 0.04 0.00 0.00 177.00 176.53 2ror n GLN 21 N -4.05 0.00 -3.84 4.56 7.27 -1.26 -4.91 117.38 115.15 2ror n GLN 21 Ca 0.06 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.77 2ror n GLN 21 Cb 0.56 -0.90 -0.13 0.00 2.41 0.00 0.00 30.24 32.18 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2ror s ASP 22 N -0.70 5.09 0.62 1.69 1.01 -1.26 -4.95 116.67 118.17 2ror s ASP 22 Ca 0.57 -1.58 0.26 0.00 0.71 0.00 0.00 52.55 52.51 2ror s ASP 22 Cb -0.82 -1.78 1.24 0.00 1.01 0.00 0.00 42.92 42.58 2ror s ASP 22 CO 0.47 -0.38 1.68 -0.07 0.21 0.00 0.00 175.17 177.08 2ror h LEU 23 N 8.04 0.00 -0.95 1.23 3.38 -1.94 -0.22 115.31 124.85 2ror h LEU 23 Ca -0.18 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.02 2ror h LEU 23 Cb 1.06 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2ror h LEU 23 CO 0.61 0.00 0.50 -1.28 0.09 0.00 0.00 178.44 178.35 2ror h SER 24 N 0.00 0.51 -0.85 -0.43 0.87 -1.92 0.72 113.55 112.45 2ror h SER 24 Ca 0.20 0.14 0.21 0.00 -1.23 0.00 0.00 61.79 61.11 2ror h SER 24 Cb 1.50 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 63.41 2ror h SER 24 CO -0.00 0.06 0.26 -0.37 -0.53 0.00 0.00 176.83 176.24 2ror h VAL 25 N 0.50 0.41 -4.16 2.23 -1.51 -1.41 -3.41 116.25 108.90 2ror h VAL 25 Ca 0.60 -0.09 -0.52 0.00 -1.23 0.00 0.00 66.70 65.46 2ror h VAL 25 Cb 1.13 0.11 0.12 0.00 -2.13 0.00 0.00 31.29 30.52 2ror h VAL 25 CO -0.50 0.05 0.41 -1.00 -1.23 0.00 0.00 177.57 175.30 2ror s HIS 26 N -5.95 2.40 -1.30 5.19 4.02 0.25 -4.88 115.29 115.01 2ror s HIS 26 Ca -0.12 1.56 0.10 0.00 1.02 0.00 0.00 55.06 57.61 2ror s HIS 26 Cb 0.24 -3.34 0.47 0.00 -1.02 0.00 0.00 32.58 28.93 2ror s HIS 26 CO 0.77 -2.08 1.23 1.28 1.02 0.00 0.00 174.74 176.96 2ror n LEU 27 N -2.20 0.00 -3.91 0.89 4.77 -1.26 -4.49 117.00 110.80 2ror n LEU 27 Ca 0.12 0.35 -0.23 0.00 -0.03 0.00 0.00 56.01 56.22 2ror n LEU 27 Cb 0.51 -0.35 -0.17 0.00 -2.33 0.00 0.00 43.42 41.08 2ror n LEU 27 CO 0.46 -0.24 -0.43 -1.66 -1.33 0.00 0.00 177.39 174.20 2ror s TRP 28 N -2.70 1.08 -0.14 -1.77 1.48 -1.26 0.31 118.94 115.94 2ror s TRP 28 Ca 0.08 -0.41 -0.11 0.00 -1.06 0.00 0.00 56.10 54.60 2ror s TRP 28 Cb 0.06 -0.92 0.04 0.00 -1.16 0.00 0.00 33.47 31.50 2ror s TRP 28 CO 0.16 -0.31 0.37 -0.47 -4.06 0.00 0.00 176.95 172.64 2ror s TYR 29 N 1.19 -0.45 -0.27 1.66 5.04 -1.26 -4.67 117.35 118.60 2ror s TYR 29 Ca -0.06 1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 55.60 2ror s TYR 29 Cb -0.14 0.16 0.16 0.00 0.35 0.00 0.00 41.96 42.49 2ror s TYR 29 CO -0.02 -0.23 0.47 0.00 -1.34 0.00 0.00 175.55 174.43 2ror s ALA 30 N 0.56 -1.57 0.85 3.97 0.00 0.43 -4.69 121.76 121.31 2ror s ALA 30 Ca -0.03 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2ror s ALA 30 Cb -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2ror s ALA 30 CO -0.03 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2ror n GLY 31 N 5.39 -0.89 0.00 0.00 0.00 -1.26 -3.30 105.19 105.13 2ror n GLY 31 Ca -0.03 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.76 135.00 132.34 2ror n PRO 32 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2ror n PRO 32 Cb 0.00 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2ror n PRO 32 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ror n MET 33 N -0.69 0.00 -1.59 0.54 1.56 -1.26 -4.87 117.12 110.81 2ror n MET 33 Ca 0.04 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.17 2ror n MET 33 Cb 0.02 -0.52 0.05 0.00 2.15 0.00 0.00 33.22 34.93 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 -0.52 2.90 0.12 2.12 -1.05 -1.26 -4.88 118.70 116.13 2ror s GLU 34 Ca 0.32 0.91 -0.28 0.00 -0.15 0.00 0.00 54.97 55.77 2ror s GLU 34 Cb -0.39 -1.99 -0.09 0.00 -0.44 0.00 0.00 34.13 31.23 2ror s GLU 34 CO 0.31 -1.12 1.48 -0.09 0.95 0.00 0.00 175.26 176.79 2ror h ARG 35 N -0.73 -0.25 -0.99 -4.83 9.65 -2.01 0.61 114.38 115.83 2ror h ARG 35 Ca -0.44 0.02 0.29 0.00 -1.10 0.00 0.00 59.98 58.74 2ror h ARG 35 Cb 1.21 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.81 2ror h ARG 35 CO 0.57 -0.17 0.75 0.00 2.80 0.00 0.00 179.97 183.92 2ror h ALA 36 N -0.08 2.91 -0.03 2.80 0.00 -1.99 0.47 119.26 123.34 2ror h ALA 36 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ror h ALA 36 Cb 0.48 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2ror h ALA 36 CO -0.60 -1.26 -0.27 0.78 0.00 0.00 0.00 179.25 177.91 2ror h GLY 37 N 0.00 0.05 0.00 0.00 0.00 -0.11 -2.76 103.07 100.25 2ror h GLY 37 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2ror h GLY 37 CO -0.00 0.03 -0.14 0.00 0.00 0.00 0.00 176.54 176.43 2ror h ALA 38 N 1.69 0.00 -0.86 3.60 0.00 0.18 -3.33 119.26 120.54 2ror h ALA 38 Ca 0.00 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 54.89 2ror h ALA 38 Cb 0.50 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 2ror h ALA 38 CO 0.04 0.14 -0.06 0.39 0.00 0.00 0.00 179.25 179.75 2ror n GLU 39 N -3.18 -0.07 -0.30 0.00 1.02 -0.92 0.20 120.64 117.39 2ror n GLU 39 Ca -0.02 1.31 0.04 0.00 -0.02 0.00 0.00 57.16 58.47 2ror n GLU 39 Cb 0.07 -2.03 0.19 0.00 -0.02 0.00 0.00 31.44 29.65 2ror n GLU 39 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ror h SER 40 N 0.00 0.66 0.00 1.62 0.87 -1.68 0.22 113.55 115.25 2ror h SER 40 Ca 0.48 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2ror h SER 40 Cb 0.92 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2ror h SER 40 CO -0.84 0.35 0.00 -0.38 -0.53 0.00 0.00 176.83 175.44 2ror n ILE 41 N -4.76 0.00 0.21 2.23 5.41 0.53 -0.31 119.36 122.66 2ror n ILE 41 Ca 0.15 1.41 0.11 0.00 1.00 0.00 0.00 62.75 65.42 2ror n ILE 41 Cb 0.32 -2.41 0.59 0.00 -0.71 0.00 0.00 39.64 37.43 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 0.01 1.39 -0.00 -1.43 0.25 115.31 115.53 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 -0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2ror h ALA 43 N 1.54 -0.01 -0.09 1.53 0.00 -0.20 -3.37 119.26 118.67 2ror h ALA 43 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2ror h ALA 43 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ror h ALA 43 CO 0.00 -0.01 -0.43 -0.91 0.00 0.00 0.00 179.25 177.90 2ror h ASN 44 N -1.00 0.20 -3.74 0.00 2.35 -0.04 -3.45 115.58 109.90 2ror h ASN 44 Ca -0.00 -0.09 -0.43 0.00 -0.55 0.00 0.00 56.30 55.23 2ror h ASN 44 Cb 0.12 -0.06 0.17 0.00 0.05 0.00 0.00 38.32 38.61 2ror h ASN 44 CO 0.00 0.62 0.22 -0.13 -1.65 0.00 0.00 177.43 176.49 2ror s ARG 45 N -4.09 -0.37 0.91 0.81 3.00 0.83 -5.00 118.95 115.05 2ror s ARG 45 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 55.73 55.56 2ror s ARG 45 Cb 0.13 -1.69 0.13 0.00 0.00 0.00 0.00 34.95 33.52 2ror s ARG 45 CO 0.77 -3.15 1.10 0.45 0.00 0.00 0.00 175.30 174.46 2ror n SER 46 N -4.37 0.23 -4.64 0.23 2.88 -1.26 -4.89 113.62 101.79 2ror n SER 46 Ca 0.12 0.43 -0.43 0.00 -1.33 0.00 0.00 58.87 57.66 2ror n SER 46 Cb 0.59 -1.46 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 2ror n SER 46 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2ror s ASP 47 N -2.54 6.59 0.00 -3.46 1.47 -1.26 -2.97 116.67 114.51 2ror s ASP 47 Ca 0.67 1.56 0.00 0.00 1.18 0.00 0.00 52.55 55.96 2ror s ASP 47 Cb -0.24 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.81 2ror s ASP 47 CO 0.58 -1.09 0.00 0.61 0.68 0.00 0.00 175.17 175.95 2ror n GLY 48 N 4.32 1.24 3.74 2.12 0.00 -1.08 -4.96 105.19 110.58 2ror n GLY 48 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 2.94 0.24 2.61 2.01 -1.16 -2.54 115.64 117.74 2ror s THR 49 Ca 0.00 0.30 -0.19 0.00 0.31 0.00 0.00 61.69 62.11 2ror s THR 49 Cb 0.00 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.89 2ror s THR 49 CO 0.00 -0.40 0.62 0.72 -0.69 0.00 0.00 174.62 174.88 2ror s PHE 50 N -2.83 -0.15 0.28 4.92 -0.71 0.14 -2.09 117.98 117.54 2ror s PHE 50 Ca 0.63 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 56.09 2ror s PHE 50 Cb -0.19 0.54 0.06 0.00 -1.21 0.00 0.00 43.02 42.22 2ror s PHE 50 CO 0.57 -1.07 0.89 -0.48 -1.34 0.00 0.00 175.22 173.78 2ror s LEU 51 N -2.90 -0.04 -0.22 -1.99 0.05 -0.95 -2.18 118.68 110.46 2ror s LEU 51 Ca 0.11 -0.85 0.01 0.00 0.05 0.00 0.00 54.13 53.44 2ror s LEU 51 Cb -0.03 2.50 0.03 0.00 -2.05 0.00 0.00 46.19 46.64 2ror s LEU 51 CO 0.02 -1.33 -0.14 -0.69 -0.55 0.00 0.00 176.35 173.66 2ror s VAL 52 N -2.51 2.28 0.42 1.48 1.01 -1.26 -2.80 120.40 119.03 2ror s VAL 52 Ca 0.17 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2ror s VAL 52 Cb -0.04 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2ror s VAL 52 CO 0.08 0.29 0.48 -0.13 0.00 0.00 0.00 175.10 175.82 2ror s ARG 53 N 1.24 2.69 0.04 2.72 0.52 0.90 -0.43 118.95 126.64 2ror s ARG 53 Ca -0.00 -1.38 0.03 0.00 -0.52 0.00 0.00 55.73 53.85 2ror s ARG 53 Cb -0.16 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2ror s ARG 53 CO -0.09 -0.23 -0.09 -1.14 0.02 0.00 0.00 175.30 173.77 2ror s GLN 54 N -4.24 0.60 0.34 3.54 0.74 -1.11 -0.43 119.66 119.10 2ror s GLN 54 Ca 0.52 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 55.17 2ror s GLN 54 Cb -0.07 -0.45 -0.03 0.00 1.10 0.00 0.00 33.01 33.56 2ror s GLN 54 CO 0.31 0.09 0.55 1.03 -0.55 0.00 0.00 175.29 176.72 2ror s ARG 55 N -1.47 3.49 0.00 1.67 0.52 -1.19 -4.35 118.95 117.62 2ror s ARG 55 Ca -0.07 -0.31 0.22 0.00 -0.52 0.00 0.00 55.73 55.05 2ror s ARG 55 Cb -0.09 -2.66 -0.07 0.00 0.52 0.00 0.00 34.95 32.64 2ror s ARG 55 CO 0.01 0.15 1.03 1.33 0.02 0.00 0.00 175.30 177.84 2ror n VAL 56 N -1.73 0.00 -0.02 3.52 0.24 -1.26 -4.42 118.33 114.66 2ror n VAL 56 Ca -0.05 -0.14 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 2ror n VAL 56 Cb 0.56 1.11 -0.10 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 1.35 -0.06 -3.52 7.34 1.57 -1.99 -3.44 116.57 117.82 2ror h LYS 57 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2ror h LYS 57 Cb 0.64 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.57 2ror h LYS 57 CO 0.00 0.58 -0.76 -0.51 -0.57 0.00 0.00 179.45 178.18 2ror s ASP 58 N -5.83 3.00 0.13 0.86 1.01 -1.26 -5.03 116.67 109.54 2ror s ASP 58 Ca -0.15 -0.89 -0.18 0.00 0.71 0.00 0.00 52.55 52.04 2ror s ASP 58 Cb -0.01 -0.60 0.02 0.00 1.01 0.00 0.00 42.92 43.34 2ror s ASP 58 CO 0.57 -0.32 1.07 0.00 0.21 0.00 0.00 175.17 176.70 2ror n ALA 59 N 5.04 -0.32 -1.34 5.23 0.00 -1.26 -2.48 120.51 125.38 2ror n ALA 59 Ca -0.08 0.62 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 2ror n ALA 59 Cb 0.47 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.53 2.06 -3.64 0.00 0.00 -1.26 -4.73 120.51 109.40 2ror n ALA 60 Ca 0.03 -2.99 -0.05 0.00 0.00 0.00 0.00 53.44 50.43 2ror n ALA 60 Cb 0.21 -3.58 -0.07 0.00 0.00 0.00 0.00 19.45 16.01 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 6.20 0.42 0.34 0.00 2.12 -1.03 -4.47 118.70 122.27 2ror s GLU 61 Ca 0.66 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.65 2ror s GLU 61 Cb 0.08 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2ror s GLU 61 CO 0.18 -0.07 0.22 -0.06 -0.54 0.00 0.00 175.26 174.98 2ror s PHE 62 N 0.86 1.70 0.07 5.30 0.08 -1.19 -3.20 117.98 121.61 2ror s PHE 62 Ca -0.04 -1.52 -0.17 0.00 0.12 0.00 0.00 56.93 55.32 2ror s PHE 62 Cb -0.04 -0.83 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 2ror s PHE 62 CO -0.12 -0.67 0.40 0.00 -0.10 0.00 0.00 175.22 174.73 2ror s ALA 63 N -3.46 -0.95 -0.29 5.36 0.00 0.42 -1.56 121.76 121.27 2ror s ALA 63 Ca 0.36 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.49 2ror s ALA 63 Cb 0.03 0.48 0.08 0.00 0.00 0.00 0.00 23.12 23.71 2ror s ALA 63 CO 0.22 -0.53 -0.01 0.42 0.00 0.00 0.00 175.76 175.86 2ror s ILE 64 N -3.00 1.97 -0.25 0.00 1.01 -1.00 -0.07 121.20 119.87 2ror s ILE 64 Ca -0.02 -1.82 -0.10 0.00 0.00 0.00 0.00 60.65 58.71 2ror s ILE 64 Cb 0.00 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 2ror s ILE 64 CO -0.06 -0.33 0.15 -0.55 0.00 0.00 0.00 174.94 174.14 2ror s SER 65 N 1.13 5.87 0.00 3.58 0.15 -1.12 -2.08 113.70 121.22 2ror s SER 65 Ca 0.01 0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.69 2ror s SER 65 Cb -0.19 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2ror s SER 65 CO -0.08 0.01 -0.08 -0.51 1.20 0.00 0.00 173.24 173.77 2ror s ILE 66 N 1.40 0.61 -0.05 6.45 -1.16 -0.70 -2.23 121.20 125.52 2ror s ILE 66 Ca 0.07 -0.45 -0.26 0.00 -0.51 0.00 0.00 60.65 59.50 2ror s ILE 66 Cb -0.15 -0.54 -0.03 0.00 0.61 0.00 0.00 42.46 42.35 2ror s ILE 66 CO 0.07 0.09 0.80 -0.75 -2.81 0.00 0.00 174.94 172.34 2ror s LYS 67 N -0.40 4.47 -0.29 3.50 2.47 -0.89 -0.34 119.74 128.26 2ror s LYS 67 Ca 0.01 1.07 -0.22 0.00 -1.56 0.00 0.00 55.97 55.27 2ror s LYS 67 Cb -0.04 -3.46 0.14 0.00 -1.46 0.00 0.00 37.83 33.01 2ror s LYS 67 CO -0.00 -0.00 1.08 -0.47 0.16 0.00 0.00 175.35 176.12 2ror s TYR 68 N 0.97 -0.43 -0.53 4.03 5.04 0.16 -2.63 117.35 123.97 2ror s TYR 68 Ca 0.42 0.98 -0.00 0.00 -2.44 0.00 0.00 57.07 56.03 2ror s TYR 68 Cb -0.19 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 2ror s TYR 68 CO 0.21 -0.21 0.45 -1.71 -1.34 0.00 0.00 175.55 172.94 2ror n ASN 69 N 2.57 -2.36 -1.90 4.32 4.05 -1.26 -3.01 115.26 117.67 2ror n ASN 69 Ca -0.14 -0.29 -0.07 0.00 0.45 0.00 0.00 54.58 54.53 2ror n ASN 69 Cb 0.56 -2.60 -0.02 0.00 1.23 0.00 0.00 39.78 38.96 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 -2.39 -0.18 -3.61 3.44 0.24 -1.26 -4.86 118.33 109.71 2ror n VAL 70 Ca -0.11 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.03 2ror n VAL 70 Cb 0.57 -0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 32.03 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 -3.92 0.88 -0.23 7.34 0.41 -1.16 -5.14 118.70 116.86 2ror s GLU 71 Ca 0.00 0.28 -0.21 0.00 -0.41 0.00 0.00 54.97 54.64 2ror s GLU 71 Cb 0.00 0.41 -0.02 0.00 -1.78 0.00 0.00 34.13 32.74 2ror s GLU 71 CO 0.00 -0.24 0.64 0.08 -0.49 0.00 0.00 175.26 175.25 2ror s VAL 72 N -0.87 4.99 0.40 2.63 1.01 -1.26 -0.66 120.40 126.64 2ror s VAL 72 Ca -0.09 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.08 2ror s VAL 72 Cb -0.02 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2ror s VAL 72 CO 0.06 0.06 0.59 -0.54 0.00 0.00 0.00 175.10 175.27 2ror s LYS 73 N 2.29 3.17 -0.08 2.72 -0.14 0.54 -4.94 119.74 123.30 2ror s LYS 73 Ca 0.27 -0.59 -0.10 0.00 -1.36 0.00 0.00 55.97 54.20 2ror s LYS 73 Cb -0.16 -2.65 0.02 0.00 -1.68 0.00 0.00 37.83 33.37 2ror s LYS 73 CO 0.09 -0.09 0.26 -1.01 -0.76 0.00 0.00 175.35 173.84 2ror s HIS 74 N -2.40 -0.24 0.06 3.18 3.76 -1.26 -1.72 115.29 116.66 2ror s HIS 74 Ca 0.45 0.55 0.07 0.00 -0.15 0.00 0.00 55.06 55.98 2ror s HIS 74 Cb -0.10 0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.65 2ror s HIS 74 CO 0.36 -0.20 -0.19 0.42 -0.85 0.00 0.00 174.74 174.28 2ror s ILE 75 N -0.27 1.51 0.03 0.60 1.01 -0.88 -4.97 121.20 118.21 2ror s ILE 75 Ca -0.04 -1.25 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 2ror s ILE 75 Cb -0.03 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 2ror s ILE 75 CO 0.01 0.05 0.52 -0.75 0.00 0.00 0.00 174.94 174.77 2ror s LYS 76 N -1.41 4.14 -0.28 2.79 2.47 -1.26 -2.36 119.74 123.83 2ror s LYS 76 Ca 0.05 0.61 0.03 0.00 -1.56 0.00 0.00 55.97 55.11 2ror s LYS 76 Cb -0.09 -3.26 0.07 0.00 -1.46 0.00 0.00 37.83 33.09 2ror s LYS 76 CO 0.02 0.58 -0.08 0.42 0.16 0.00 0.00 175.35 176.46 2ror s ILE 77 N -0.84 2.20 0.57 5.43 1.01 -0.60 -4.43 121.20 124.53 2ror s ILE 77 Ca 0.27 -1.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.08 2ror s ILE 77 Cb -0.18 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 2ror s ILE 77 CO 0.16 -0.14 0.90 -0.04 0.00 0.00 0.00 174.94 175.82 2ror s MET 78 N 1.06 3.24 -0.02 2.79 -1.94 -0.05 -3.15 119.30 121.24 2ror s MET 78 Ca -0.05 0.23 0.01 0.00 -1.71 0.00 0.00 55.69 54.17 2ror s MET 78 Cb -0.20 -2.25 0.01 0.00 2.01 0.00 0.00 34.83 34.40 2ror s MET 78 CO -0.06 -0.53 -0.03 0.95 -0.01 0.00 0.00 175.02 175.34 2ror s THR 79 N -2.97 0.33 -0.21 2.05 -4.23 -1.26 -1.13 115.64 108.23 2ror s THR 79 Ca 0.52 -0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 2ror s THR 79 Cb -0.11 -0.35 0.05 0.00 1.34 0.00 0.00 72.50 73.43 2ror s THR 79 CO 0.47 0.15 -0.09 0.00 -0.54 0.00 0.00 174.62 174.61 2ror s ALA 80 N 0.57 1.97 -1.54 3.99 0.00 -1.20 -4.78 121.76 120.78 2ror s ALA 80 Ca -0.06 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 2ror s ALA 80 Cb -0.09 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 21.75 2ror s ALA 80 CO -0.01 -0.93 0.30 0.39 0.00 0.00 0.00 175.76 175.52 2ror n GLU 81 N 4.69 -2.11 -1.04 0.00 1.02 -1.26 0.00 120.64 121.95 2ror n GLU 81 Ca -0.14 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2ror n GLU 81 Cb 0.46 -4.22 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 2ror n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 82 N -2.09 0.57 3.71 0.62 0.00 -1.26 -5.07 105.19 101.68 2ror n GLY 82 Ca -0.24 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 2ror n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ror n LEU 83 N 0.00 0.00 -3.66 0.99 4.77 0.10 -4.74 117.00 114.46 2ror n LEU 83 Ca 0.00 -2.69 -0.10 0.00 -0.03 0.00 0.00 56.01 53.19 2ror n LEU 83 Cb 0.12 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 2ror n LEU 83 CO 0.00 -0.61 -0.02 -0.31 -1.33 0.00 0.00 177.39 175.12 2ror s TYR 84 N -2.61 -0.67 -0.25 -1.77 1.51 -1.19 -3.21 117.35 109.16 2ror s TYR 84 Ca 0.37 1.35 -0.23 0.00 -1.01 0.00 0.00 57.07 57.55 2ror s TYR 84 Cb -0.03 0.20 0.07 0.00 -0.11 0.00 0.00 41.96 42.09 2ror s TYR 84 CO 0.24 -0.43 0.67 -0.98 -1.11 0.00 0.00 175.55 173.94 2ror s ARG 85 N 2.45 0.78 0.07 -0.62 1.70 -0.28 -1.07 118.95 121.99 2ror s ARG 85 Ca -0.02 0.94 0.22 0.00 -0.47 0.00 0.00 55.73 56.41 2ror s ARG 85 Cb -0.12 0.38 -0.16 0.00 -0.57 0.00 0.00 34.95 34.48 2ror s ARG 85 CO -0.12 -0.10 0.78 0.44 -1.08 0.00 0.00 175.30 175.22 2ror n ILE 86 N 2.76 0.26 -4.30 4.99 -5.35 -1.26 -0.87 119.36 115.60 2ror n ILE 86 Ca -0.14 -0.48 -0.16 0.00 -0.27 0.00 0.00 62.75 61.70 2ror n ILE 86 Cb 0.55 -0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.26 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 -3.41 1.15 0.18 7.28 -4.23 -1.26 -4.86 115.64 110.50 2ror s THR 87 Ca -0.03 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.48 2ror s THR 87 Cb 0.12 -2.13 -0.14 0.00 1.34 0.00 0.00 72.50 71.70 2ror s THR 87 CO 0.85 -0.51 1.41 1.05 -0.54 0.00 0.00 174.62 176.87 2ror h GLU 88 N 2.60 0.07 -0.01 3.99 4.11 -2.04 -3.31 114.58 119.99 2ror h GLU 88 Ca -0.38 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 2ror h GLU 88 Cb 1.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2ror h GLU 88 CO 0.64 0.88 -0.06 0.87 0.07 0.00 0.00 179.01 181.41 2ror h LYS 89 N 0.04 0.05 -6.26 1.06 1.57 -2.02 -3.45 116.57 107.57 2ror h LYS 89 Ca -0.02 -0.05 -0.57 0.00 -1.87 0.00 0.00 60.65 58.15 2ror h LYS 89 Cb 1.49 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.77 2ror h LYS 89 CO 0.12 0.73 -0.24 0.21 -0.57 0.00 0.00 179.45 179.71 2ror s LYS 90 N -3.45 3.70 0.09 3.15 2.47 -1.25 -5.10 119.74 119.35 2ror s LYS 90 Ca -0.17 0.06 -0.19 0.00 -1.56 0.00 0.00 55.97 54.12 2ror s LYS 90 Cb 0.00 -2.79 0.04 0.00 -1.46 0.00 0.00 37.83 33.63 2ror s LYS 90 CO 0.70 0.42 0.45 0.00 0.16 0.00 0.00 175.35 177.08 2ror s ALA 91 N -1.69 -1.10 0.29 3.13 0.00 -1.26 -4.10 121.76 117.02 2ror s ALA 91 Ca 0.43 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2ror s ALA 91 Cb -0.12 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2ror s ALA 91 CO 0.23 -0.58 0.15 -0.06 0.00 0.00 0.00 175.76 175.50 2ror s PHE 92 N -3.16 1.56 -0.17 0.00 0.40 -0.23 -5.00 117.98 111.38 2ror s PHE 92 Ca -0.01 -1.34 -0.04 0.00 -0.60 0.00 0.00 56.93 54.94 2ror s PHE 92 Cb 0.00 -0.85 -0.22 0.00 0.51 0.00 0.00 43.02 42.46 2ror s PHE 92 CO -0.07 -0.49 0.14 0.54 0.70 0.00 0.00 175.22 176.03 2ror n ARG 93 N -0.54 0.71 -4.16 0.44 5.12 -1.26 -3.15 116.66 113.82 2ror n ARG 93 Ca 0.01 0.23 -0.11 0.00 -1.93 0.00 0.00 57.85 56.05 2ror n ARG 93 Cb 0.65 -1.64 -0.10 0.00 -1.16 0.00 0.00 32.46 30.21 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2ror s GLY 94 N -5.89 0.73 0.28 -0.13 0.00 -1.26 -4.30 107.32 96.74 2ror s GLY 94 Ca -0.27 -1.29 -0.03 0.00 0.00 0.00 0.00 44.72 43.13 2ror s GLY 94 CO 0.70 -1.39 1.93 -2.00 0.00 0.00 0.00 173.10 172.34 2ror h LEU 95 N 3.11 1.03 0.07 0.66 5.85 -1.91 -2.77 115.31 121.36 2ror h LEU 95 Ca -0.35 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2ror h LEU 95 Cb 1.17 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2ror h LEU 95 CO 0.63 0.72 -0.10 0.74 -0.34 0.00 0.00 178.44 180.09 2ror h THR 96 N 1.20 0.00 -0.83 1.05 2.02 -2.00 -2.46 112.91 111.90 2ror h THR 96 Ca 0.37 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.73 2ror h THR 96 Cb -0.03 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.23 2ror h THR 96 CO -0.10 0.00 -0.11 -0.33 0.37 0.00 0.00 175.52 175.34 2ror h GLU 97 N -0.18 0.03 -1.05 6.66 4.39 -1.94 0.75 114.58 123.24 2ror h GLU 97 Ca -0.01 -0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.96 2ror h GLU 97 Cb 0.16 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.70 2ror h GLU 97 CO -0.03 0.02 0.66 1.25 -1.16 0.00 0.00 179.01 179.75 2ror h LEU 98 N 0.03 0.50 0.00 1.33 6.46 -1.22 0.65 115.31 123.06 2ror h LEU 98 Ca 0.43 0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 58.17 2ror h LEU 98 Cb 0.73 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2ror h LEU 98 CO -0.81 0.06 -0.69 0.58 -0.62 0.00 0.00 178.44 176.97 2ror h VAL 99 N 0.42 1.32 0.00 1.05 2.07 0.78 -3.14 116.25 118.75 2ror h VAL 99 Ca 0.63 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.89 2ror h VAL 99 Cb 1.51 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 2ror h VAL 99 CO -0.37 0.45 0.00 -0.62 0.02 0.00 0.00 177.57 177.06 2ror n GLU 100 N -4.51 0.10 -0.11 1.57 -0.58 0.79 -2.31 120.64 115.59 2ror n GLU 100 Ca -0.22 0.22 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 2ror n GLU 100 Cb 0.59 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.50 -0.20 -0.32 7.35 0.22 -4.43 117.46 119.30 2ror n PHE 101 Ca 0.03 0.17 -0.01 0.00 -0.76 0.00 0.00 57.45 56.89 2ror n PHE 101 Cb 0.05 -1.06 0.10 0.00 0.35 0.00 0.00 39.48 38.92 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 -0.67 0.47 -0.89 -5.13 0.05 -1.41 -0.72 116.97 108.67 2ror h TYR 102 Ca -0.54 0.03 0.26 0.00 0.05 0.00 0.00 58.73 58.53 2ror h TYR 102 Cb 1.63 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 39.22 2ror h TYR 102 CO 0.01 0.17 1.16 1.96 -1.05 0.00 0.00 178.16 180.41 2ror h GLN 103 N 0.48 0.00 0.00 4.88 4.20 -1.74 1.50 115.11 124.43 2ror h GLN 103 Ca 0.29 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.75 2ror h GLN 103 Cb 0.30 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 2ror h GLN 103 CO -0.25 0.00 -2.06 1.04 -0.67 0.00 0.00 178.83 176.89 2ror n GLN 104 N -3.19 1.25 -3.76 1.46 3.00 -0.33 -4.82 117.38 110.99 2ror n GLN 104 Ca 0.20 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.78 2ror n GLN 104 Cb 1.43 -1.41 -0.12 0.00 0.00 0.00 0.00 30.24 30.13 2ror n GLN 104 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2ror s ASN 105 N -4.84 5.22 0.15 1.08 0.01 0.51 -5.07 114.94 112.00 2ror s ASN 105 Ca -0.08 -0.93 -0.34 0.00 -0.71 0.00 0.00 52.86 50.80 2ror s ASN 105 Cb 0.06 -1.87 -0.15 0.00 0.41 0.00 0.00 41.25 39.69 2ror s ASN 105 CO 0.67 -0.26 1.42 -0.24 -1.51 0.00 0.00 177.10 177.18 2ror n SER 106 N 4.84 2.34 0.23 -1.22 2.88 -1.25 -4.52 113.62 116.91 2ror n SER 106 Ca -0.13 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.64 2ror n SER 106 Cb 0.46 -1.32 0.69 0.00 -0.75 0.00 0.00 64.21 63.29 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ror h LEU 107 N 4.92 0.00 -2.29 2.46 3.38 -1.72 0.09 115.31 122.15 2ror h LEU 107 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2ror h LEU 107 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2ror h LEU 107 CO 0.81 0.00 -0.04 0.07 0.09 0.00 0.00 178.44 179.37 2ror h LYS 108 N 0.00 0.00 -0.73 1.13 2.10 -0.77 -2.09 116.57 116.20 2ror h LYS 108 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.79 2ror h LYS 108 Cb 0.33 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.57 2ror h LYS 108 CO 0.00 0.04 0.27 0.22 -2.00 0.00 0.00 179.45 177.98 2ror h ASP 109 N 0.00 0.22 0.00 7.07 1.82 -1.24 -3.29 116.42 121.00 2ror h ASP 109 Ca -0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2ror h ASP 109 Cb 0.12 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.24 2ror h ASP 109 CO 0.01 0.08 -0.62 0.00 -1.61 0.00 0.00 179.24 177.10 2ror s PHE 111 N -2.33 3.51 -0.22 0.00 0.08 -0.82 -5.03 117.98 113.16 2ror s PHE 111 Ca -0.18 0.76 -0.11 0.00 0.12 0.00 0.00 56.93 57.52 2ror s PHE 111 Cb 0.02 -2.35 -0.18 0.00 -0.57 0.00 0.00 43.02 39.95 2ror s PHE 111 CO 0.27 -0.34 -0.03 1.17 -0.10 0.00 0.00 175.22 176.18 2ror n LYS 112 N -2.29 0.63 0.15 0.44 3.00 -1.26 -3.99 118.16 114.84 2ror n LYS 112 Ca 0.01 0.33 -0.13 0.00 -0.00 0.00 0.00 58.31 58.51 2ror n LYS 112 Cb 0.56 -1.61 -0.06 0.00 0.00 0.00 0.00 35.03 33.91 2ror n LYS 112 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2ror h SER 113 N -0.58 -0.62 -0.86 3.14 0.02 -1.95 -3.36 113.55 109.34 2ror h SER 113 Ca -0.53 0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.19 2ror h SER 113 Cb 1.67 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 64.39 2ror h SER 113 CO -0.20 -0.33 0.75 -0.76 -1.14 0.00 0.00 176.83 175.15 2ror s LEU 114 N -10.23 3.15 -0.28 5.07 2.01 -1.26 -4.76 118.68 112.37 2ror s LEU 114 Ca -0.16 -0.44 0.07 0.00 0.01 0.00 0.00 54.13 53.62 2ror s LEU 114 Cb 0.07 -2.55 0.59 0.00 0.01 0.00 0.00 46.19 44.30 2ror s LEU 114 CO 0.65 -2.82 1.63 -0.67 1.01 0.00 0.00 176.35 176.14 2ror n ASP 115 N 14.37 4.12 -3.84 2.29 2.03 -1.26 -0.28 116.55 133.97 2ror n ASP 115 Ca 0.38 -3.04 -0.09 0.00 0.52 0.00 0.00 54.79 52.56 2ror n ASP 115 Cb 0.47 -0.72 -0.07 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 -2.52 0.13 0.36 5.18 -1.32 -1.26 -4.81 115.64 111.40 2ror s THR 116 Ca 0.44 -1.14 0.08 0.00 -1.21 0.00 0.00 61.69 59.87 2ror s THR 116 Cb 0.36 -1.34 -0.05 0.00 -1.51 0.00 0.00 72.50 69.96 2ror s THR 116 CO 0.10 -0.61 0.14 0.28 -2.21 0.00 0.00 174.62 172.33 2ror s THR 117 N -3.86 2.78 -0.52 5.08 -1.32 -1.26 -2.84 115.64 113.70 2ror s THR 117 Ca 0.05 -1.72 -0.37 0.00 -1.21 0.00 0.00 61.69 58.44 2ror s THR 117 Cb 0.05 -2.96 -0.16 0.00 -1.51 0.00 0.00 72.50 67.92 2ror s THR 117 CO -0.11 -0.13 2.27 0.18 -2.21 0.00 0.00 174.62 174.61 2ror n LEU 118 N -1.16 1.31 -0.08 9.08 4.77 -1.26 -4.81 117.00 124.84 2ror n LEU 118 Ca -0.02 0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 2ror n LEU 118 Cb 0.62 -1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2ror n LEU 118 CO 0.44 -0.80 -0.26 1.56 -1.33 0.00 0.00 177.39 177.00 2ror h GLN 119 N 11.44 0.00 -3.53 3.23 1.08 -1.82 -3.42 115.11 122.08 2ror h GLN 119 Ca -0.17 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.74 2ror h GLN 119 Cb 1.36 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 28.45 2ror h GLN 119 CO 1.11 0.49 -0.72 -0.06 -0.95 0.00 0.00 178.83 178.70 2ror s PHE 120 N -2.18 0.02 0.00 2.96 0.08 -1.07 -4.78 117.98 113.01 2ror s PHE 120 Ca -0.18 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.00 2ror s PHE 120 Cb 0.02 -0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.27 2ror s PHE 120 CO 0.38 -0.08 0.00 -0.35 -0.10 0.00 0.00 175.22 175.07 2ror n PRO 121 N 4.05 0.20 0.02 0.24 -0.04 -1.26 0.26 135.00 138.46 2ror n PRO 121 Ca -0.26 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.01 2ror n PRO 121 Cb 0.51 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.83 2ror n PRO 121 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ror h PHE 122 N -0.91 0.41 0.20 0.54 3.04 -1.30 -3.38 116.94 115.53 2ror h PHE 122 Ca 0.00 -0.30 -0.01 0.00 3.98 0.00 0.00 57.97 61.64 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 1.28 -0.10 0.87 -2.02 0.00 0.00 178.31 178.34 2ror h LYS 123 N -0.51 -0.26 -1.47 1.11 1.79 -0.49 -3.49 116.57 113.26 2ror h LYS 123 Ca -0.14 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.55 2ror h LYS 123 Cb 1.52 0.06 -0.21 0.00 -1.58 0.00 0.00 32.23 32.01 2ror h LYS 123 CO 0.10 -0.18 0.76 -1.83 -1.08 0.00 0.00 179.45 177.22 2ror s GLU 124 N -3.44 0.36 1.25 3.15 -1.05 -1.26 -5.11 118.70 112.60 2ror s GLU 124 Ca -0.04 -0.04 -0.21 0.00 -0.15 0.00 0.00 54.97 54.53 2ror s GLU 124 Cb 0.00 0.17 0.31 0.00 -0.44 0.00 0.00 34.13 34.17 2ror s GLU 124 CO 0.12 -0.14 1.11 -1.25 0.95 0.00 0.00 175.26 176.06 2ror s PRO 125 N -1.86 -1.60 -0.08 -4.83 0.04 -1.26 -4.37 135.00 121.04 2ror s PRO 125 Ca 0.06 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 60.92 2ror s PRO 125 Cb -0.01 -1.56 0.01 0.00 0.04 0.00 0.00 34.50 32.98 2ror s PRO 125 CO -0.04 -3.93 -0.13 -2.00 0.04 0.00 0.00 177.00 170.93 2ror s GLU 126 N -5.51 1.87 0.05 4.56 2.12 -1.26 -5.00 118.70 115.53 2ror s GLU 126 Ca 0.72 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.60 2ror s GLU 126 Cb -0.08 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.75 2ror s GLU 126 CO 0.56 -0.01 0.00 0.36 -0.54 0.00 0.00 175.26 175.63 2ror n LYS 127 N 3.97 0.00 -0.00 4.30 2.85 -1.26 -4.98 118.16 123.04 2ror n LYS 127 Ca -0.21 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2ror n LYS 127 Cb 0.52 -0.23 -0.00 0.00 -0.65 0.00 0.00 35.03 34.66 2ror n LYS 127 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2ror h ARG 128 N 0.00 0.00 -5.10 -1.58 2.43 -2.06 -3.44 114.38 104.63 2ror h ARG 128 Ca 0.00 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.72 2ror h ARG 128 Cb 0.34 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.81 2ror h ARG 128 CO 0.00 0.00 1.72 0.25 -1.51 0.00 0.00 179.97 180.43 2ror n THR 129 N -2.23 -0.01 -3.64 0.20 -2.24 -1.26 -4.82 114.28 100.28 2ror n THR 129 Ca -0.00 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 2ror n THR 129 Cb 0.01 -0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 67.36 2ror n THR 129 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2ror s ILE 130 N 8.16 0.00 -0.12 2.28 -1.16 -1.26 -5.00 121.20 124.10 2ror s ILE 130 Ca 1.28 0.00 -0.29 0.00 -0.51 0.00 0.00 60.65 61.13 2ror s ILE 130 Cb -0.99 -1.00 0.08 0.00 0.61 0.00 0.00 42.46 41.16 2ror s ILE 130 CO 0.45 0.00 0.73 -0.94 -2.81 0.00 0.00 174.94 172.37 2ror s SER 131 N 0.94 -0.65 -0.03 4.50 1.04 -1.26 -5.08 113.70 113.16 2ror s SER 131 Ca -0.04 0.87 -0.20 0.00 0.48 0.00 0.00 55.95 57.05 2ror s SER 131 Cb -0.05 0.74 -0.14 0.00 0.10 0.00 0.00 66.02 66.68 2ror s SER 131 CO -0.11 -0.49 0.89 0.03 0.98 0.00 0.00 173.24 174.53 2ror h ARG 132 N 3.46 -0.36 -3.83 4.02 2.47 -2.03 -3.40 114.38 114.71 2ror h ARG 132 Ca -0.27 0.02 -0.69 0.00 -1.26 0.00 0.00 59.98 57.79 2ror h ARG 132 Cb 1.15 0.08 -0.36 0.00 -1.65 0.00 0.00 29.97 29.19 2ror h ARG 132 CO 0.30 -0.02 -0.45 0.45 0.56 0.00 0.00 179.97 180.80 2ror s SER 133 N -5.21 5.12 0.00 7.04 0.15 -1.26 -5.01 113.70 114.53 2ror s SER 133 Ca -0.12 -2.65 0.00 0.00 0.70 0.00 0.00 55.95 53.88 2ror s SER 133 Cb 0.01 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2ror s SER 133 CO 0.42 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2ror n GLY 134 N 3.74 0.97 0.00 9.45 0.00 -1.26 -4.68 105.19 113.40 2ror n GLY 134 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 0.49 -0.24 1.61 -0.04 -1.26 -4.05 135.00 131.50 2ror n PRO 135 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2ror n PRO 135 Cb 0.00 -1.44 0.15 0.00 -0.04 0.00 0.00 33.50 32.17 2ror n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ror n SER 136 N -0.94 -0.16 -4.56 3.54 2.88 -1.26 -3.96 113.62 109.15 2ror n SER 136 Ca 0.10 1.18 -0.34 0.00 -1.33 0.00 0.00 58.87 58.48 2ror n SER 136 Cb 0.05 -0.39 -0.11 0.00 -0.75 0.00 0.00 64.21 63.00 2ror n SER 136 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ror s SER 137 N -5.09 5.01 0.00 -3.46 1.04 -1.26 -5.22 113.70 104.73 2ror s SER 137 Ca -0.10 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2ror s SER 137 Cb 0.19 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.59 2ror s SER 137 CO 0.54 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.59