#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ror h SER 2 N 0.00 -0.11 -3.59 1.61 0.87 -2.09 -3.35 113.55 106.89 2ror h SER 2 Ca 0.00 0.02 -0.75 0.00 -1.23 0.00 0.00 61.79 59.83 2ror h SER 2 Cb 0.00 0.05 -0.28 0.00 -0.44 0.00 0.00 62.40 61.73 2ror h SER 2 CO 0.00 -0.06 -0.18 -0.94 -0.53 0.00 0.00 176.83 175.12 2ror s SER 3 N -5.14 6.09 0.00 6.23 1.04 -1.26 -4.99 113.70 115.67 2ror s SER 3 Ca -0.13 -2.32 0.00 0.00 0.48 0.00 0.00 55.95 53.97 2ror s SER 3 Cb 0.07 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2ror s SER 3 CO 0.66 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2ror n GLY 4 N 4.40 1.75 3.98 7.32 0.00 -1.26 -5.18 105.19 116.21 2ror n GLY 4 Ca 0.01 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 2ror n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ror s SER 5 N 0.00 5.73 -0.23 1.61 0.01 -1.26 -5.05 113.70 114.50 2ror s SER 5 Ca 0.00 -0.03 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 2ror s SER 5 Cb 0.00 -1.17 -0.17 0.00 0.21 0.00 0.00 66.02 64.90 2ror s SER 5 CO 0.00 -0.72 -0.05 -1.20 0.41 0.00 0.00 173.24 171.68 2ror n SER 6 N -1.97 1.93 0.00 2.44 7.64 -1.26 -5.12 113.62 117.29 2ror n SER 6 Ca 0.03 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2ror n SER 6 Cb 0.58 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2ror n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ror n GLY 7 N 1.47 0.92 3.25 0.23 0.00 -1.26 -5.14 105.19 104.66 2ror n GLY 7 Ca -0.43 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.77 0.88 0.01 1.61 2.47 -1.26 -5.13 119.74 116.55 2ror s LYS 8 Ca 0.00 -0.74 -0.26 0.00 -1.56 0.00 0.00 55.97 53.41 2ror s LYS 8 Cb 0.00 0.37 0.06 0.00 -1.46 0.00 0.00 37.83 36.81 2ror s LYS 8 CO 0.00 -0.30 0.59 0.00 0.16 0.00 0.00 175.35 175.80 2ror s ALA 9 N -3.38 -1.54 -0.28 3.13 0.00 -1.26 -5.17 121.76 113.25 2ror s ALA 9 Ca 0.01 0.92 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 2ror s ALA 9 Cb 0.02 0.25 0.11 0.00 0.00 0.00 0.00 23.12 23.50 2ror s ALA 9 CO -0.09 -0.46 0.92 -1.83 0.00 0.00 0.00 175.76 174.31 2ror s GLU 10 N -1.94 0.57 0.05 0.00 -1.05 -1.26 -5.18 118.70 109.90 2ror s GLU 10 Ca -0.08 0.76 -0.27 0.00 -0.15 0.00 0.00 54.97 55.23 2ror s GLU 10 Cb -0.01 0.24 0.10 0.00 -0.44 0.00 0.00 34.13 34.02 2ror s GLU 10 CO 0.03 -0.08 1.19 0.00 0.95 0.00 0.00 175.26 177.35 2ror s ALA 11 N 0.60 -2.09 1.05 -0.84 0.00 -1.26 -5.16 121.76 114.05 2ror s ALA 11 Ca -0.01 0.22 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 2ror s ALA 11 Cb -0.05 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 2ror s ALA 11 CO -0.08 -1.08 -0.55 0.39 0.00 0.00 0.00 175.76 174.44 2ror n GLU 12 N -0.65 -0.76 0.06 0.00 -0.58 -1.26 -4.98 120.64 112.47 2ror n GLU 12 Ca -0.04 -0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.49 2ror n GLU 12 Cb 0.61 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 2ror n GLU 12 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2ror n GLN 13 N -0.04 0.00 -4.28 3.49 1.13 -1.26 -5.12 117.38 111.29 2ror n GLN 13 Ca 0.00 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.87 2ror n GLN 13 Cb 0.65 -0.15 -0.11 0.00 0.11 0.00 0.00 30.24 30.74 2ror n GLN 13 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ror s ASN 14 N -5.14 2.29 -0.28 1.08 2.20 -1.26 -5.02 114.94 108.81 2ror s ASN 14 Ca 0.00 -0.85 -0.14 0.00 -0.94 0.00 0.00 52.86 50.93 2ror s ASN 14 Cb 0.00 -0.10 -0.12 0.00 -2.00 0.00 0.00 41.25 39.03 2ror s ASN 14 CO 0.00 -0.11 -0.36 -2.67 -2.94 0.00 0.00 177.10 171.02 2ror n TRP 15 N 0.35 0.00 -0.88 1.54 2.14 -1.26 -5.01 117.44 114.32 2ror n TRP 15 Ca -0.14 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.07 2ror n TRP 15 Cb 0.57 -0.99 0.08 0.00 -0.81 0.00 0.00 31.31 30.16 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 2.07 0.00 0.00 177.69 177.09 2ror n TRP 16 N -4.23 -1.57 -3.66 -2.67 2.14 -1.26 -4.96 117.44 101.22 2ror n TRP 16 Ca -0.54 0.44 -0.28 0.00 2.07 0.00 0.00 57.50 59.18 2ror n TRP 16 Cb 0.89 -1.45 -0.12 0.00 -0.81 0.00 0.00 31.31 29.81 2ror n TRP 16 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2ror s GLU 17 N -2.53 1.43 0.00 -2.67 2.02 -1.26 -4.92 118.70 110.77 2ror s GLU 17 Ca 0.44 -2.31 0.00 0.00 0.02 0.00 0.00 54.97 53.11 2ror s GLU 17 Cb 0.01 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2ror s GLU 17 CO 0.67 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 175.11 2ror n GLY 18 N 3.02 0.17 3.65 -1.39 0.00 -1.26 -5.11 105.19 104.27 2ror n GLY 18 Ca 0.17 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.05 -0.58 1.61 0.04 -1.26 -4.94 135.00 133.92 2ror s PRO 19 Ca 0.00 1.88 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 2ror s PRO 19 Cb 0.00 -3.96 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 2ror s PRO 19 CO 0.00 -0.98 1.85 -1.25 0.04 0.00 0.00 177.00 176.66 2ror s PRO 20 N 4.15 2.71 -1.41 0.56 0.04 -1.26 -3.89 135.00 135.89 2ror s PRO 20 Ca 0.69 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2ror s PRO 20 Cb -0.28 -4.36 0.14 0.00 0.04 0.00 0.00 34.50 30.04 2ror s PRO 20 CO 0.26 -2.63 0.35 1.04 0.04 0.00 0.00 177.00 176.06 2ror n GLN 21 N 9.10 -0.82 -0.71 4.56 6.02 -1.26 -4.82 117.38 129.45 2ror n GLN 21 Ca 0.20 0.10 -0.33 0.00 -0.01 0.00 0.00 57.00 56.97 2ror n GLN 21 Cb 0.52 -3.47 0.16 0.00 1.02 0.00 0.00 30.24 28.46 2ror n GLN 21 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2ror n ASP 22 N -1.86 -2.43 0.29 1.08 2.03 -1.25 -4.67 116.55 109.73 2ror n ASP 22 Ca 0.01 -0.05 0.11 0.00 0.52 0.00 0.00 54.79 55.38 2ror n ASP 22 Cb 0.40 -0.96 0.60 0.00 -0.72 0.00 0.00 41.12 40.44 2ror n ASP 22 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ror h LEU 23 N -1.92 0.00 -1.25 -2.67 3.38 -1.95 -0.59 115.31 110.31 2ror h LEU 23 Ca -0.51 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.63 2ror h LEU 23 Cb 1.35 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.02 2ror h LEU 23 CO 0.36 0.00 0.60 0.77 0.09 0.00 0.00 178.44 180.26 2ror h SER 24 N 0.00 0.64 0.00 -0.43 4.64 -1.87 0.20 113.55 116.74 2ror h SER 24 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ror h SER 24 Cb 0.80 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2ror h SER 24 CO 0.00 0.28 0.36 -0.37 -0.87 0.00 0.00 176.83 176.23 2ror h VAL 25 N 0.65 0.00 -3.26 0.95 -1.51 -1.37 -3.40 116.25 108.30 2ror h VAL 25 Ca 0.50 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 65.40 2ror h VAL 25 Cb 0.90 0.44 -0.04 0.00 -2.13 0.00 0.00 31.29 30.45 2ror h VAL 25 CO -0.25 0.00 -0.18 -1.00 -1.23 0.00 0.00 177.57 174.91 2ror s HIS 26 N -3.70 3.53 -1.00 5.19 4.02 0.72 -4.94 115.29 119.10 2ror s HIS 26 Ca -0.02 0.85 0.00 0.00 1.02 0.00 0.00 55.06 56.91 2ror s HIS 26 Cb 0.06 -2.22 0.00 0.00 -1.02 0.00 0.00 32.58 29.39 2ror s HIS 26 CO 0.18 0.42 0.96 -0.11 1.02 0.00 0.00 174.74 177.21 2ror n LEU 27 N 0.49 0.00 -3.93 0.89 7.94 -1.26 -4.36 117.00 116.76 2ror n LEU 27 Ca -0.04 0.46 -0.23 0.00 -1.11 0.00 0.00 56.01 55.09 2ror n LEU 27 Cb 0.52 -0.46 -0.17 0.00 0.53 0.00 0.00 43.42 43.84 2ror n LEU 27 CO 0.44 -0.46 -0.43 -1.66 -1.11 0.00 0.00 177.39 174.16 2ror s TRP 28 N -2.93 1.08 -0.05 1.96 1.48 -1.26 -2.60 118.94 116.62 2ror s TRP 28 Ca 0.00 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 54.53 2ror s TRP 28 Cb 0.00 -0.89 0.02 0.00 -1.16 0.00 0.00 33.47 31.44 2ror s TRP 28 CO 0.00 -0.28 0.29 -0.47 -4.06 0.00 0.00 176.95 172.43 2ror s TYR 29 N 1.02 -0.22 -0.24 1.66 5.04 -1.26 -4.69 117.35 118.67 2ror s TYR 29 Ca -0.09 0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 54.95 2ror s TYR 29 Cb -0.14 0.09 0.13 0.00 0.35 0.00 0.00 41.96 42.38 2ror s TYR 29 CO -0.00 -0.29 0.38 0.00 -1.34 0.00 0.00 175.55 174.30 2ror s ALA 30 N -0.76 -1.09 1.00 3.97 0.00 0.57 -4.64 121.76 120.81 2ror s ALA 30 Ca -0.08 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2ror s ALA 30 Cb -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2ror s ALA 30 CO 0.02 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 174.96 2ror n GLY 31 N 5.37 -2.87 0.00 0.00 0.00 -1.26 -3.48 105.19 102.94 2ror n GLY 31 Ca -0.04 -1.15 0.04 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 -0.80 1.61 -0.04 -1.26 -3.46 135.00 131.54 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 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -0.76 0.00 -2.22 0.54 1.56 -1.26 -4.93 117.12 110.05 2ror n MET 33 Ca 0.06 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.23 2ror n MET 33 Cb 0.03 -0.63 0.11 0.00 2.15 0.00 0.00 33.22 34.89 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 -0.63 1.60 0.07 2.12 -1.05 -1.26 -4.88 118.70 114.67 2ror s GLU 34 Ca 0.37 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.36 2ror s GLU 34 Cb -0.37 -2.12 -0.15 0.00 -0.44 0.00 0.00 34.13 31.06 2ror s GLU 34 CO 0.40 -1.65 1.47 -0.09 0.95 0.00 0.00 175.26 176.34 2ror h ARG 35 N -0.89 -0.83 -0.98 -4.83 1.12 -2.00 -1.11 114.38 104.86 2ror h ARG 35 Ca -0.42 0.06 0.26 0.00 -1.11 0.00 0.00 59.98 58.77 2ror h ARG 35 Cb 1.28 0.19 -0.06 0.00 -0.01 0.00 0.00 29.97 31.37 2ror h ARG 35 CO 0.48 -0.55 0.67 0.00 -3.11 0.00 0.00 179.97 177.46 2ror h ALA 36 N -1.06 2.62 -0.00 2.80 0.00 -2.00 0.39 119.26 122.00 2ror h ALA 36 Ca -0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2ror h ALA 36 Cb 0.74 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2ror h ALA 36 CO -0.04 -0.93 -0.61 0.78 0.00 0.00 0.00 179.25 178.45 2ror h GLY 37 N 0.18 0.02 0.11 0.00 0.00 -1.70 -3.15 103.07 98.52 2ror h GLY 37 Ca 0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 2ror h GLY 37 CO -0.11 0.02 -0.05 0.00 0.00 0.00 0.00 176.54 176.40 2ror h ALA 38 N 1.38 -0.19 -0.91 3.60 0.00 0.95 -3.29 119.26 120.79 2ror h ALA 38 Ca -0.01 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2ror h ALA 38 Cb 1.08 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 2ror h ALA 38 CO 0.08 -0.18 -0.35 0.39 0.00 0.00 0.00 179.25 179.19 2ror n GLU 39 N -3.99 -0.21 -0.23 0.00 1.02 -0.75 0.28 120.64 116.76 2ror n GLU 39 Ca -0.02 1.40 -0.02 0.00 -0.02 0.00 0.00 57.16 58.51 2ror n GLU 39 Cb 0.06 -2.09 0.04 0.00 -0.02 0.00 0.00 31.44 29.44 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 -0.94 0.00 1.62 0.87 -1.69 0.12 113.55 113.52 2ror h SER 40 Ca 0.32 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2ror h SER 40 Cb 0.55 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2ror h SER 40 CO -0.91 -0.27 0.00 -0.38 -0.53 0.00 0.00 176.83 174.74 2ror n ILE 41 N -5.46 0.00 -0.02 2.23 5.41 0.14 -0.17 119.36 121.49 2ror n ILE 41 Ca 0.07 1.46 0.24 0.00 1.00 0.00 0.00 62.75 65.52 2ror n ILE 41 Cb 0.37 -2.16 0.71 0.00 -0.71 0.00 0.00 39.64 37.85 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 0.43 1.39 -0.00 -1.32 0.79 115.31 116.61 2ror h LEU 42 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 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 -0.21 0.00 -0.00 0.00 0.00 178.44 178.23 2ror h ALA 43 N 1.41 -0.70 -0.46 1.53 0.00 0.13 -2.77 119.26 118.39 2ror h ALA 43 Ca 0.30 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2ror h ALA 43 Cb 1.47 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2ror h ALA 43 CO -0.00 -0.66 0.30 -0.91 0.00 0.00 0.00 179.25 177.98 2ror h ASN 44 N -0.94 0.51 0.00 0.00 4.21 0.19 -3.27 115.58 116.29 2ror h ASN 44 Ca -0.06 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2ror h ASN 44 Cb 0.45 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 2ror h ASN 44 CO 0.10 0.37 0.00 0.54 -1.29 0.00 0.00 177.43 177.15 2ror n ARG 45 N -4.78 0.00 -3.24 0.81 3.00 0.20 -4.99 116.66 107.66 2ror n ARG 45 Ca 0.02 0.49 0.01 0.00 -0.01 0.00 0.00 57.85 58.36 2ror n ARG 45 Cb 0.03 -1.23 0.01 0.00 0.00 0.00 0.00 32.46 31.27 2ror n ARG 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2ror n SER 46 N -1.57 -0.88 -4.46 0.55 7.64 -1.04 -5.08 113.62 108.77 2ror n SER 46 Ca 0.00 -1.26 -0.43 0.00 1.01 0.00 0.00 58.87 58.19 2ror n SER 46 Cb 0.00 1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 64.53 2ror n SER 46 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2ror s ASP 47 N -2.85 6.25 0.00 6.43 -4.77 -1.26 -3.74 116.67 116.73 2ror s ASP 47 Ca 0.19 -0.80 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 2ror s ASP 47 Cb -0.01 -2.36 0.00 0.00 -1.09 0.00 0.00 42.92 39.46 2ror s ASP 47 CO 0.00 -1.10 0.00 0.61 0.70 0.00 0.00 175.17 175.38 2ror n GLY 48 N 5.19 0.73 3.72 2.12 0.00 -0.52 -4.98 105.19 111.43 2ror n GLY 48 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.62 2.65 0.23 2.61 2.01 -1.25 -1.92 115.64 118.36 2ror s THR 49 Ca 0.00 0.21 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 2ror s THR 49 Cb 0.00 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2ror s THR 49 CO 0.00 -0.28 0.49 0.72 -0.69 0.00 0.00 174.62 174.86 2ror s PHE 50 N -2.77 0.22 0.34 4.92 -0.71 0.34 -1.18 117.98 119.13 2ror s PHE 50 Ca 0.64 -0.59 -0.18 0.00 -1.04 0.00 0.00 56.93 55.77 2ror s PHE 50 Cb -0.20 0.25 0.05 0.00 -1.21 0.00 0.00 43.02 41.92 2ror s PHE 50 CO 0.57 -0.98 0.81 -0.48 -1.34 0.00 0.00 175.22 173.81 2ror s LEU 51 N -2.98 -0.04 -0.17 -1.99 0.05 -0.26 -1.37 118.68 111.91 2ror s LEU 51 Ca 0.18 -0.98 0.01 0.00 0.05 0.00 0.00 54.13 53.39 2ror s LEU 51 Cb -0.01 2.72 0.03 0.00 -2.05 0.00 0.00 46.19 46.88 2ror s LEU 51 CO 0.06 -1.53 -0.13 -0.69 -0.55 0.00 0.00 176.35 173.51 2ror s VAL 52 N -2.58 1.66 0.32 1.48 1.01 -1.26 -2.40 120.40 118.62 2ror s VAL 52 Ca 0.15 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2ror s VAL 52 Cb -0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2ror s VAL 52 CO 0.10 0.33 0.21 -0.13 0.00 0.00 0.00 175.10 175.61 2ror s ARG 53 N 1.42 2.59 0.27 2.72 0.52 -0.28 -0.31 118.95 125.89 2ror s ARG 53 Ca 0.02 -1.37 0.10 0.00 -0.52 0.00 0.00 55.73 53.97 2ror s ARG 53 Cb -0.14 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 2ror s ARG 53 CO -0.10 0.15 -0.07 -1.14 0.02 0.00 0.00 175.30 174.16 2ror s GLN 54 N -3.90 2.09 0.59 3.54 0.74 -1.22 0.45 119.66 121.94 2ror s GLN 54 Ca 0.38 -1.54 0.02 0.00 0.05 0.00 0.00 55.36 54.27 2ror s GLN 54 Cb -0.05 -2.03 0.06 0.00 1.10 0.00 0.00 33.01 32.09 2ror s GLN 54 CO 0.25 0.35 0.82 0.50 -0.55 0.00 0.00 175.29 176.66 2ror s ARG 55 N -3.62 2.30 -0.10 1.67 3.52 -1.25 -4.70 118.95 116.77 2ror s ARG 55 Ca 0.31 -0.96 0.06 0.00 -0.13 0.00 0.00 55.73 55.01 2ror s ARG 55 Cb -0.06 -2.47 -0.10 0.00 -1.56 0.00 0.00 34.95 30.76 2ror s ARG 55 CO 0.18 -0.90 -0.01 1.33 -0.81 0.00 0.00 175.30 175.09 2ror n VAL 56 N -2.44 0.65 -0.14 7.11 0.24 -1.26 -4.64 118.33 117.85 2ror n VAL 56 Ca 0.10 -0.35 -0.05 0.00 -2.04 0.00 0.00 64.34 62.01 2ror n VAL 56 Cb 0.60 -0.81 0.04 0.00 -1.47 0.00 0.00 33.84 32.20 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 0.36 -3.36 7.34 6.56 -2.02 -3.42 116.57 122.03 2ror h LYS 57 Ca -0.26 -0.02 -0.25 0.00 -1.06 0.00 0.00 60.65 59.06 2ror h LYS 57 Cb 1.52 -0.08 -0.31 0.00 -0.57 0.00 0.00 32.23 32.78 2ror h LYS 57 CO -0.01 0.24 -0.63 -0.51 -2.06 0.00 0.00 179.45 176.48 2ror s ASP 58 N -5.41 -0.06 0.44 0.86 1.01 -1.26 -5.03 116.67 107.21 2ror s ASP 58 Ca -0.13 0.22 0.14 0.00 0.71 0.00 0.00 52.55 53.48 2ror s ASP 58 Cb 0.13 0.12 1.04 0.00 1.01 0.00 0.00 42.92 45.23 2ror s ASP 58 CO 0.73 -0.12 1.99 0.00 0.21 0.00 0.00 175.17 177.97 2ror h ALA 59 N 7.04 2.01 0.00 5.23 0.00 -1.83 -3.05 119.26 128.66 2ror h ALA 59 Ca -0.41 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 53.97 2ror h ALA 59 Cb 1.15 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2ror h ALA 59 CO 0.44 -0.14 2.75 0.00 0.00 0.00 0.00 179.25 182.30 2ror n ALA 60 N -2.52 6.83 -2.88 0.00 0.00 -1.26 -4.81 120.51 115.87 2ror n ALA 60 Ca 0.09 -2.90 -0.10 0.00 0.00 0.00 0.00 53.44 50.53 2ror n ALA 60 Cb 0.35 -3.09 -0.06 0.00 0.00 0.00 0.00 19.45 16.66 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 2.10 1.07 0.28 0.00 8.01 -1.15 -4.39 118.70 124.62 2ror s GLU 61 Ca 0.64 -0.87 -0.20 0.00 0.01 0.00 0.00 54.97 54.55 2ror s GLU 61 Cb 0.20 0.43 0.05 0.00 -4.31 0.00 0.00 34.13 30.50 2ror s GLU 61 CO -0.04 -0.40 0.85 -0.06 0.01 0.00 0.00 175.26 175.62 2ror s PHE 62 N -3.86 -0.01 0.18 1.61 0.08 -1.24 -3.86 117.98 110.88 2ror s PHE 62 Ca 0.07 -0.49 -0.16 0.00 0.12 0.00 0.00 56.93 56.47 2ror s PHE 62 Cb 0.02 0.74 0.02 0.00 -0.57 0.00 0.00 43.02 43.24 2ror s PHE 62 CO -0.08 -1.23 0.46 0.00 -0.10 0.00 0.00 175.22 174.27 2ror s ALA 63 N -2.86 -0.76 -0.30 5.36 0.00 0.17 -0.19 121.76 123.19 2ror s ALA 63 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 2ror s ALA 63 Cb -0.04 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.00 2ror s ALA 63 CO 0.07 -0.75 0.11 0.42 0.00 0.00 0.00 175.76 175.61 2ror s ILE 64 N -3.88 0.52 0.02 0.00 1.01 0.19 -1.12 121.20 117.94 2ror s ILE 64 Ca 0.10 -1.13 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 2ror s ILE 64 Cb 0.00 -1.39 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 2ror s ILE 64 CO -0.04 -0.67 0.39 -0.55 0.00 0.00 0.00 174.94 174.07 2ror s SER 65 N 1.80 6.73 -0.05 3.58 0.15 -1.01 -1.03 113.70 123.86 2ror s SER 65 Ca 0.09 0.88 -0.10 0.00 0.70 0.00 0.00 55.95 57.52 2ror s SER 65 Cb -0.17 -2.21 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2ror s SER 65 CO -0.29 0.28 0.23 -0.51 1.20 0.00 0.00 173.24 174.15 2ror s ILE 66 N -1.19 0.03 -0.09 6.45 -1.16 -0.38 -1.10 121.20 123.76 2ror s ILE 66 Ca 0.27 -0.26 -0.17 0.00 -0.51 0.00 0.00 60.65 59.98 2ror s ILE 66 Cb -0.15 -0.42 -0.05 0.00 0.61 0.00 0.00 42.46 42.44 2ror s ILE 66 CO 0.14 -0.14 0.43 -0.75 -2.81 0.00 0.00 174.94 171.81 2ror s LYS 67 N -0.53 4.22 -0.29 3.50 2.47 -0.33 -0.55 119.74 128.23 2ror s LYS 67 Ca -0.06 0.39 -0.23 0.00 -1.56 0.00 0.00 55.97 54.51 2ror s LYS 67 Cb -0.04 -3.37 0.17 0.00 -1.46 0.00 0.00 37.83 33.13 2ror s LYS 67 CO 0.01 0.32 1.28 -0.47 0.16 0.00 0.00 175.35 176.66 2ror s TYR 68 N 0.11 -0.21 -0.80 4.03 5.04 -0.22 -1.45 117.35 123.85 2ror s TYR 68 Ca 0.24 0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2ror s TYR 68 Cb -0.15 0.39 -0.01 0.00 0.35 0.00 0.00 41.96 42.53 2ror s TYR 68 CO 0.10 -0.10 0.68 -1.71 -1.34 0.00 0.00 175.55 173.18 2ror n ASN 69 N 2.10 -2.73 -1.83 4.32 4.05 -1.26 -2.55 115.26 117.35 2ror n ASN 69 Ca -0.12 -0.44 -0.07 0.00 0.45 0.00 0.00 54.58 54.40 2ror n ASN 69 Cb 0.57 -3.70 -0.02 0.00 1.23 0.00 0.00 39.78 37.85 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 -3.05 -0.16 -3.70 3.44 0.24 -1.26 -4.86 118.33 108.99 2ror n VAL 70 Ca -0.17 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 2ror n VAL 70 Cb 0.61 -0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 32.11 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 -3.78 0.57 -0.28 7.34 2.02 -1.06 -5.14 118.70 118.37 2ror s GLU 71 Ca 0.00 0.75 -0.14 0.00 0.02 0.00 0.00 54.97 55.60 2ror s GLU 71 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 34.13 34.43 2ror s GLU 71 CO 0.00 -0.09 0.32 0.08 0.02 0.00 0.00 175.26 175.59 2ror s VAL 72 N 0.51 5.21 0.47 2.63 1.01 -1.26 -1.05 120.40 127.91 2ror s VAL 72 Ca -0.02 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2ror s VAL 72 Cb -0.04 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2ror s VAL 72 CO -0.02 0.15 0.66 -0.54 0.00 0.00 0.00 175.10 175.35 2ror s LYS 73 N 1.97 2.82 0.00 2.72 -0.14 0.29 -4.90 119.74 122.51 2ror s LYS 73 Ca 0.12 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.93 2ror s LYS 73 Cb -0.16 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.38 2ror s LYS 73 CO 0.10 -0.40 -0.03 -1.01 -0.76 0.00 0.00 175.35 173.26 2ror s HIS 74 N -2.54 0.27 -0.21 3.18 3.76 -1.26 -1.25 115.29 117.24 2ror s HIS 74 Ca 0.53 -0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 2ror s HIS 74 Cb -0.10 -0.18 0.04 0.00 1.11 0.00 0.00 32.58 33.45 2ror s HIS 74 CO 0.36 -0.01 -0.14 0.42 -0.85 0.00 0.00 174.74 174.51 2ror s ILE 75 N -0.16 1.95 0.28 0.60 1.01 -0.20 -4.93 121.20 119.76 2ror s ILE 75 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 60.65 59.22 2ror s ILE 75 Cb -0.02 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 2ror s ILE 75 CO -0.00 0.27 0.99 -0.75 0.00 0.00 0.00 174.94 175.44 2ror s LYS 76 N 1.27 4.69 -0.12 2.79 2.20 -1.26 0.56 119.74 129.87 2ror s LYS 76 Ca -0.01 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 2ror s LYS 76 Cb -0.16 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2ror s LYS 76 CO -0.09 0.34 -0.12 0.42 -0.36 0.00 0.00 175.35 175.53 2ror s ILE 77 N -1.32 3.14 0.06 5.43 1.01 0.73 -4.75 121.20 125.49 2ror s ILE 77 Ca 0.45 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2ror s ILE 77 Cb -0.25 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 2ror s ILE 77 CO 0.32 0.53 0.11 -0.04 0.00 0.00 0.00 174.94 175.85 2ror s MET 78 N 0.19 3.04 -0.08 2.79 -1.94 -1.22 -3.62 119.30 118.46 2ror s MET 78 Ca -0.07 -0.59 -0.04 0.00 -1.71 0.00 0.00 55.69 53.28 2ror s MET 78 Cb -0.15 -2.82 0.04 0.00 2.01 0.00 0.00 34.83 33.90 2ror s MET 78 CO 0.05 0.59 0.18 0.95 -0.01 0.00 0.00 175.02 176.78 2ror s THR 79 N -1.37 -0.04 0.13 2.05 -4.23 -1.26 -3.51 115.64 107.41 2ror s THR 79 Ca 0.29 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2ror s THR 79 Cb -0.12 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.43 2ror s THR 79 CO 0.21 0.06 0.00 0.00 -0.54 0.00 0.00 174.62 174.35 2ror n ALA 80 N 4.01 3.00 -2.11 3.99 0.00 -1.26 -4.88 120.51 123.26 2ror n ALA 80 Ca -0.24 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.93 2ror n ALA 80 Cb 0.53 0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.22 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 -3.41 3.40 -2.22 0.00 1.02 -1.26 -4.88 120.64 113.29 2ror n GLU 81 Ca 0.00 -4.16 -0.07 0.00 -0.02 0.00 0.00 57.16 52.91 2ror n GLU 81 Cb 0.05 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.20 2ror n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 82 N -0.64 0.14 3.28 0.62 0.00 -1.26 -5.04 105.19 102.28 2ror n GLY 82 Ca 0.45 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.10 2.18 -0.20 0.99 1.43 -1.26 -4.77 118.68 114.96 2ror s LEU 83 Ca 0.02 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2ror s LEU 83 Cb -0.01 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 2ror s LEU 83 CO 0.03 0.17 -0.09 -0.31 0.23 0.00 0.00 176.35 176.38 2ror s TYR 84 N -0.84 2.89 -0.16 0.29 1.51 -1.22 -4.08 117.35 115.74 2ror s TYR 84 Ca 0.08 -1.06 -0.18 0.00 -1.01 0.00 0.00 57.07 54.90 2ror s TYR 84 Cb -0.09 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 2ror s TYR 84 CO 0.02 -0.56 0.50 -0.98 -1.11 0.00 0.00 175.55 173.42 2ror s ARG 85 N 1.26 0.63 -0.01 -0.62 1.70 -1.23 -1.82 118.95 118.87 2ror s ARG 85 Ca 0.03 0.58 0.20 0.00 -0.47 0.00 0.00 55.73 56.06 2ror s ARG 85 Cb -0.14 0.30 -0.24 0.00 -0.57 0.00 0.00 34.95 34.30 2ror s ARG 85 CO -0.04 -0.10 0.70 0.44 -1.08 0.00 0.00 175.30 175.22 2ror n ILE 86 N 2.51 0.00 -3.70 4.99 -6.64 -1.26 -3.46 119.36 111.81 2ror n ILE 86 Ca -0.15 -0.18 -0.12 0.00 -1.77 0.00 0.00 62.75 60.54 2ror n ILE 86 Cb 0.56 0.69 -0.12 0.00 -1.44 0.00 0.00 39.64 39.34 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2ror s THR 87 N -3.01 -0.17 0.61 7.28 -4.23 -1.26 -5.00 115.64 109.85 2ror s THR 87 Ca 0.03 0.16 0.24 0.00 -1.18 0.00 0.00 61.69 60.93 2ror s THR 87 Cb 0.14 -0.50 0.33 0.00 1.34 0.00 0.00 72.50 73.82 2ror s THR 87 CO 0.81 0.07 1.39 1.05 -0.54 0.00 0.00 174.62 177.40 2ror h GLU 88 N 7.49 0.00 0.09 3.99 4.11 -2.04 0.51 114.58 128.73 2ror h GLU 88 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.11 2ror h GLU 88 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2ror h GLU 88 CO 0.28 0.00 -0.04 0.87 0.07 0.00 0.00 179.01 180.18 2ror h LYS 89 N 0.00 -0.11 -5.85 1.06 1.79 -2.01 -3.44 116.57 108.00 2ror h LYS 89 Ca 0.36 0.01 -0.64 0.00 -2.18 0.00 0.00 60.65 58.20 2ror h LYS 89 Cb 2.41 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 33.03 2ror h LYS 89 CO -0.00 0.29 -0.51 0.21 -1.08 0.00 0.00 179.45 178.36 2ror s LYS 90 N -4.41 3.39 -0.13 3.15 2.47 0.18 -5.11 119.74 119.28 2ror s LYS 90 Ca -0.15 -0.37 -0.09 0.00 -1.56 0.00 0.00 55.97 53.81 2ror s LYS 90 Cb 0.02 -3.05 0.04 0.00 -1.46 0.00 0.00 37.83 33.38 2ror s LYS 90 CO 0.62 0.66 0.32 0.00 0.16 0.00 0.00 175.35 177.11 2ror s ALA 91 N -1.34 -0.79 0.45 3.13 0.00 -1.26 -4.17 121.76 117.77 2ror s ALA 91 Ca 0.28 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.40 2ror s ALA 91 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2ror s ALA 91 CO 0.20 -0.20 0.13 -0.06 0.00 0.00 0.00 175.76 175.83 2ror s PHE 92 N 0.84 2.32 -0.16 0.00 0.40 -0.76 -5.04 117.98 115.59 2ror s PHE 92 Ca -0.05 -0.71 0.13 0.00 -0.60 0.00 0.00 56.93 55.70 2ror s PHE 92 Cb -0.06 -1.84 -0.24 0.00 0.51 0.00 0.00 43.02 41.39 2ror s PHE 92 CO -0.06 0.19 0.23 2.89 0.70 0.00 0.00 175.22 179.17 2ror n ARG 93 N -1.23 0.67 -3.78 0.44 0.00 -1.26 -3.44 116.66 108.06 2ror n ARG 93 Ca -0.06 0.11 -0.13 0.00 -0.00 0.00 0.00 57.85 57.78 2ror n ARG 93 Cb 0.66 -1.61 -0.11 0.00 -0.00 0.00 0.00 32.46 31.40 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 -5.50 -0.19 0.32 2.89 0.00 -1.26 -4.57 107.32 99.01 2ror s GLY 94 Ca -0.12 0.69 0.09 0.00 0.00 0.00 0.00 44.72 45.38 2ror s GLY 94 CO 0.80 0.56 1.63 -2.00 0.00 0.00 0.00 173.10 174.10 2ror h LEU 95 N 5.36 0.16 0.00 0.66 5.85 -1.93 -2.09 115.31 123.32 2ror h LEU 95 Ca -0.27 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2ror h LEU 95 Cb 1.19 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.47 2ror h LEU 95 CO 0.34 -0.21 0.00 0.41 -0.34 0.00 0.00 178.44 178.64 2ror n THR 96 N -5.20 0.00 -0.22 1.05 -1.04 -1.26 -1.65 114.28 105.96 2ror n THR 96 Ca 0.27 1.49 -0.02 0.00 -2.04 0.00 0.00 64.05 63.74 2ror n THR 96 Cb 0.87 -2.10 0.04 0.00 -1.82 0.00 0.00 70.33 67.32 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 -0.08 -1.14 -2.82 4.39 -1.78 0.40 114.58 113.55 2ror h GLU 97 Ca 0.00 0.01 0.37 0.00 0.34 0.00 0.00 59.36 60.07 2ror h GLU 97 Cb 0.00 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.53 2ror h GLU 97 CO 0.00 -0.05 0.70 1.25 -1.16 0.00 0.00 179.01 179.75 2ror h LEU 98 N -0.08 0.37 0.05 1.33 6.46 -1.09 1.02 115.31 123.36 2ror h LEU 98 Ca 0.28 0.16 -0.19 0.00 -0.12 0.00 0.00 57.88 58.01 2ror h LEU 98 Cb 0.53 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2ror h LEU 98 CO -0.69 -0.15 -1.00 0.58 -0.62 0.00 0.00 178.44 176.56 2ror h VAL 99 N 0.21 1.19 0.00 1.05 2.07 0.56 -3.07 116.25 118.25 2ror h VAL 99 Ca 0.76 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2ror h VAL 99 Cb 2.07 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 34.57 2ror h VAL 99 CO -0.49 0.55 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 2ror n GLU 100 N -4.26 0.17 -0.13 1.57 1.02 0.72 -2.78 120.64 116.94 2ror n GLU 100 Ca -0.23 0.17 -0.27 0.00 -0.02 0.00 0.00 57.16 56.80 2ror n GLU 100 Cb 0.72 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.26 0.28 -0.13 -0.32 7.35 0.34 -4.36 117.46 119.36 2ror n PHE 101 Ca 0.05 0.12 0.22 0.00 -0.76 0.00 0.00 57.45 57.08 2ror n PHE 101 Cb 0.08 -1.03 0.64 0.00 0.35 0.00 0.00 39.48 39.52 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 -0.95 0.18 0.00 -5.13 0.05 -1.42 0.39 116.97 110.09 2ror h TYR 102 Ca -0.61 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.18 2ror h TYR 102 Cb 1.55 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.24 2ror h TYR 102 CO -0.04 0.06 0.00 1.04 -1.05 0.00 0.00 178.16 178.17 2ror n GLN 103 N -4.39 0.04 -0.00 4.88 6.02 -1.17 -0.91 117.38 121.84 2ror n GLN 103 Ca 0.15 0.52 0.03 0.00 -0.01 0.00 0.00 57.00 57.69 2ror n GLN 103 Cb 0.72 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.70 3.19 -3.83 -1.09 3.00 0.13 -4.89 117.38 112.19 2ror n GLN 104 Ca -0.00 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.68 2ror n GLN 104 Cb 0.02 -0.90 -0.16 0.00 0.00 0.00 0.00 30.24 29.20 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 -1.96 3.37 0.14 1.08 2.20 -0.09 -5.11 114.94 114.58 2ror s ASN 105 Ca 0.00 -1.00 -0.34 0.00 -0.94 0.00 0.00 52.86 50.58 2ror s ASN 105 Cb 0.04 -0.87 -0.17 0.00 -2.00 0.00 0.00 41.25 38.25 2ror s ASN 105 CO 0.22 -0.28 1.08 -1.20 -2.94 0.00 0.00 177.10 173.98 2ror n SER 106 N 4.87 0.82 0.20 3.54 7.64 -1.26 -4.58 113.62 124.85 2ror n SER 106 Ca -0.10 1.14 0.13 0.00 1.01 0.00 0.00 58.87 61.05 2ror n SER 106 Cb 0.46 -1.13 0.71 0.00 -1.01 0.00 0.00 64.21 63.24 2ror n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ror h LEU 107 N 3.09 0.00 -2.32 -3.43 3.38 -1.74 -1.95 115.31 112.34 2ror h LEU 107 Ca -0.43 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.57 2ror h LEU 107 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2ror h LEU 107 CO 0.68 0.00 0.21 0.07 0.09 0.00 0.00 178.44 179.49 2ror h LYS 108 N 0.00 0.00 -0.75 1.13 2.10 -1.41 0.48 116.57 118.12 2ror h LYS 108 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.85 2ror h LYS 108 Cb 0.01 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.31 2ror h LYS 108 CO 0.00 0.00 0.53 -0.44 -2.00 0.00 0.00 179.45 177.54 2ror h ASP 109 N 0.00 0.14 0.00 7.07 3.32 -1.64 -3.31 116.42 122.00 2ror h ASP 109 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2ror h ASP 109 Cb 0.47 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2ror h ASP 109 CO -0.00 0.06 -0.96 0.00 -1.72 0.00 0.00 179.24 176.63 2ror s PHE 111 N -1.99 3.47 0.33 0.00 0.08 0.02 -4.87 117.98 115.02 2ror s PHE 111 Ca 0.00 -1.88 0.11 0.00 0.12 0.00 0.00 56.93 55.28 2ror s PHE 111 Cb 0.00 -4.18 1.00 0.00 -0.57 0.00 0.00 43.02 39.26 2ror s PHE 111 CO 0.00 -1.33 1.65 -0.22 -0.10 0.00 0.00 175.22 175.22 2ror h LYS 112 N 7.86 0.25 0.25 0.44 1.63 -1.82 0.73 116.57 125.91 2ror h LYS 112 Ca 0.21 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2ror h LYS 112 Cb 0.96 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 2ror h LYS 112 CO 1.10 0.16 -0.23 0.66 -3.45 0.00 0.00 179.45 177.69 2ror h SER 113 N 0.25 -0.61 -2.38 4.20 4.64 -1.91 -3.37 113.55 114.38 2ror h SER 113 Ca 0.69 0.05 -0.54 0.00 -0.47 0.00 0.00 61.79 61.52 2ror h SER 113 Cb 1.55 0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 63.77 2ror h SER 113 CO -0.65 -0.34 1.06 -0.76 -0.87 0.00 0.00 176.83 175.28 2ror s LEU 114 N -10.21 3.18 -0.45 5.97 1.02 0.25 -4.86 118.68 113.57 2ror s LEU 114 Ca -0.16 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.60 2ror s LEU 114 Cb 0.06 -2.58 0.49 0.00 0.02 0.00 0.00 46.19 44.18 2ror s LEU 114 CO 0.64 -1.84 1.88 -0.67 0.02 0.00 0.00 176.35 176.38 2ror n ASP 115 N 9.43 5.12 -4.02 2.29 -0.08 -1.26 -1.50 116.55 126.53 2ror n ASP 115 Ca 0.04 -3.44 -0.08 0.00 -1.51 0.00 0.00 54.79 49.80 2ror n ASP 115 Cb 0.49 -0.87 -0.10 0.00 2.34 0.00 0.00 41.12 42.98 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2ror s THR 116 N -3.29 0.18 0.29 5.18 -1.32 -1.26 -4.84 115.64 110.58 2ror s THR 116 Ca 0.51 -1.48 0.11 0.00 -1.21 0.00 0.00 61.69 59.62 2ror s THR 116 Cb 0.41 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 70.18 2ror s THR 116 CO 0.05 -0.81 -0.15 0.28 -2.21 0.00 0.00 174.62 171.78 2ror s THR 117 N -3.25 2.63 -0.46 5.08 -1.32 -1.26 -2.93 115.64 114.13 2ror s THR 117 Ca 0.01 -2.29 -0.41 0.00 -1.21 0.00 0.00 61.69 57.78 2ror s THR 117 Cb 0.03 -2.44 -0.17 0.00 -1.51 0.00 0.00 72.50 68.41 2ror s THR 117 CO -0.08 -0.37 2.16 0.18 -2.21 0.00 0.00 174.62 174.31 2ror n LEU 118 N -0.70 1.13 -0.10 9.08 4.77 -1.26 -4.82 117.00 125.11 2ror n LEU 118 Ca -0.05 0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 56.34 2ror n LEU 118 Cb 0.60 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 2ror n LEU 118 CO 0.39 -0.76 -0.49 1.56 -1.33 0.00 0.00 177.39 176.76 2ror h GLN 119 N 10.01 0.00 -3.50 3.23 4.20 -1.71 -3.42 115.11 123.92 2ror h GLN 119 Ca -0.15 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.35 2ror h GLN 119 Cb 1.39 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.89 2ror h GLN 119 CO 1.07 0.80 -0.62 -0.06 -0.67 0.00 0.00 178.83 179.35 2ror s PHE 120 N -2.33 -0.09 0.00 2.96 0.08 -1.16 -4.89 117.98 112.54 2ror s PHE 120 Ca -0.26 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.03 2ror s PHE 120 Cb 0.05 0.01 0.00 0.00 -0.57 0.00 0.00 43.02 42.51 2ror s PHE 120 CO 0.52 -0.06 0.00 -0.35 -0.10 0.00 0.00 175.22 175.23 2ror n PRO 121 N 3.19 -0.30 0.00 0.24 -0.04 -1.26 0.13 135.00 136.96 2ror n PRO 121 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 2ror n PRO 121 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.16 -0.08 0.01 0.54 3.04 -1.37 -3.36 116.94 114.56 2ror h PHE 122 Ca 0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2ror h PHE 122 Cb 0.00 0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.54 2ror h PHE 122 CO 0.00 0.47 -0.01 0.87 -2.02 0.00 0.00 178.31 177.63 2ror h LYS 123 N -0.73 -0.02 -1.28 1.11 1.57 -1.83 -3.50 116.57 111.91 2ror h LYS 123 Ca -0.01 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 2ror h LYS 123 Cb 0.59 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.65 2ror h LYS 123 CO 0.01 -0.01 0.79 -1.83 -0.57 0.00 0.00 179.45 177.85 2ror s GLU 124 N -2.05 0.28 0.42 3.15 -1.05 -1.26 -5.13 118.70 113.05 2ror s GLU 124 Ca -0.00 0.05 -0.25 0.00 -0.15 0.00 0.00 54.97 54.62 2ror s GLU 124 Cb 0.00 0.13 -0.08 0.00 -0.44 0.00 0.00 34.13 33.74 2ror s GLU 124 CO 0.01 -0.09 1.18 -1.25 0.95 0.00 0.00 175.26 176.06 2ror s PRO 125 N -1.16 3.97 0.19 -4.83 0.04 -1.26 -4.58 135.00 127.37 2ror s PRO 125 Ca 0.05 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 2ror s PRO 125 Cb -0.01 -2.62 0.01 0.00 0.04 0.00 0.00 34.50 31.93 2ror s PRO 125 CO -0.04 -0.40 0.43 -1.21 0.04 0.00 0.00 177.00 175.82 2ror s GLU 126 N -2.39 1.31 0.24 4.56 0.41 -1.26 -5.05 118.70 116.52 2ror s GLU 126 Ca 0.59 -1.01 -0.06 0.00 -0.41 0.00 0.00 54.97 54.08 2ror s GLU 126 Cb -0.31 0.46 -0.02 0.00 -1.78 0.00 0.00 34.13 32.48 2ror s GLU 126 CO 0.39 -0.53 0.32 -1.59 -0.49 0.00 0.00 175.26 173.36 2ror s LYS 127 N -3.92 1.45 -0.21 1.61 0.00 -1.26 -5.15 119.74 112.27 2ror s LYS 127 Ca 0.13 -1.51 -0.12 0.00 0.00 0.00 0.00 55.97 54.47 2ror s LYS 127 Cb 0.01 0.38 0.07 0.00 0.00 0.00 0.00 37.83 38.28 2ror s LYS 127 CO -0.01 -0.55 0.52 0.50 0.00 0.00 0.00 175.35 175.80 2ror s ARG 128 N -3.94 0.52 -0.58 1.78 3.52 -1.26 -5.05 118.95 113.95 2ror s ARG 128 Ca 0.31 0.93 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 2ror s ARG 128 Cb 0.03 0.06 0.44 0.00 -1.56 0.00 0.00 34.95 33.92 2ror s ARG 128 CO 0.12 -0.15 1.77 0.25 -0.81 0.00 0.00 175.30 176.49 2ror n THR 129 N 4.14 3.29 -0.31 4.11 -2.24 -1.26 -4.73 114.28 117.28 2ror n THR 129 Ca -0.21 -3.49 0.19 0.00 -2.27 0.00 0.00 64.05 58.27 2ror n THR 129 Cb 0.57 -1.17 0.46 0.00 -2.10 0.00 0.00 70.33 68.09 2ror n THR 129 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2ror h ILE 130 N 1.48 0.61 -3.56 2.28 6.09 -2.06 -3.43 117.51 118.91 2ror h ILE 130 Ca 0.53 -0.17 -0.06 0.00 -1.37 0.00 0.00 64.86 63.79 2ror h ILE 130 Cb 0.94 0.08 -0.12 0.00 0.47 0.00 0.00 36.82 38.18 2ror h ILE 130 CO 1.33 0.09 -0.15 -0.94 -3.07 0.00 0.00 178.15 175.41 2ror s SER 131 N -5.40 -0.12 -0.22 2.19 1.04 -1.26 -5.08 113.70 104.84 2ror s SER 131 Ca -0.09 -0.57 -0.20 0.00 0.48 0.00 0.00 55.95 55.57 2ror s SER 131 Cb 0.24 0.48 -0.18 0.00 0.10 0.00 0.00 66.02 66.67 2ror s SER 131 CO 0.79 -0.91 0.08 0.54 0.98 0.00 0.00 173.24 174.73 2ror n ARG 132 N -0.23 0.57 -3.76 4.02 3.00 -1.26 -5.00 116.66 114.00 2ror n ARG 132 Ca -0.12 0.50 -0.13 0.00 -0.01 0.00 0.00 57.85 58.09 2ror n ARG 132 Cb 0.63 -1.69 -0.11 0.00 0.00 0.00 0.00 32.46 31.29 2ror n ARG 132 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ror s SER 133 N -7.01 -0.33 -0.30 0.55 0.01 -1.26 -5.15 113.70 100.22 2ror s SER 133 Ca -0.31 0.63 -0.07 0.00 1.31 0.00 0.00 55.95 57.51 2ror s SER 133 Cb 0.08 0.63 0.17 0.00 0.21 0.00 0.00 66.02 67.11 2ror s SER 133 CO 0.57 -0.11 0.72 -0.83 0.41 0.00 0.00 173.24 173.99 2ror s GLY 134 N 0.25 -0.74 0.78 3.44 0.00 -1.26 -5.17 107.32 104.63 2ror s GLY 134 Ca -0.01 2.26 -0.11 0.00 0.00 0.00 0.00 44.72 46.87 2ror s GLY 134 CO -0.00 3.32 1.09 2.56 0.00 0.00 0.00 173.10 180.07 2ror s PRO 135 N 2.83 2.18 0.11 2.90 0.04 -1.26 -5.06 135.00 136.75 2ror s PRO 135 Ca 0.07 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.28 2ror s PRO 135 Cb -0.12 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2ror s PRO 135 CO -0.19 -1.69 0.19 -1.54 0.04 0.00 0.00 177.00 173.81 2ror s SER 136 N -3.39 6.00 -0.21 6.66 1.04 -1.26 -5.04 113.70 117.51 2ror s SER 136 Ca 0.61 0.10 -0.04 0.00 0.48 0.00 0.00 55.95 57.10 2ror s SER 136 Cb -0.17 -1.74 -0.11 0.00 0.10 0.00 0.00 66.02 64.10 2ror s SER 136 CO 0.56 0.12 -0.22 -1.54 0.98 0.00 0.00 173.24 173.14 2ror n SER 137 N -0.03 2.02 0.00 7.02 3.41 -1.26 -5.38 113.62 119.40 2ror n SER 137 Ca -0.07 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2ror n SER 137 Cb 0.53 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2ror n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49