#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 5.28 0.03 1.61 0.15 -1.26 -5.08 113.70 114.43 2ror s SER 2 Ca 0.00 -1.81 0.07 0.00 0.70 0.00 0.00 55.95 54.92 2ror s SER 2 Cb 0.00 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.44 2ror s SER 2 CO 0.00 -0.50 -0.21 -0.94 1.20 0.00 0.00 173.24 172.79 2ror s SER 3 N 1.81 2.48 0.00 5.45 1.04 -1.26 -5.02 113.70 118.19 2ror s SER 3 Ca 0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2ror s SER 3 Cb -0.22 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2ror s SER 3 CO -0.02 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2ror n GLY 4 N 1.98 -1.11 3.06 7.32 0.00 -1.26 -5.14 105.19 110.03 2ror n GLY 4 Ca -0.17 0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 3.57 -0.01 1.61 0.01 -1.26 -5.02 113.70 112.59 2ror s SER 5 Ca 0.00 -0.93 -0.22 0.00 1.31 0.00 0.00 55.95 56.11 2ror s SER 5 Cb 0.00 -1.40 -0.13 0.00 0.21 0.00 0.00 66.02 64.70 2ror s SER 5 CO 0.00 -0.11 0.94 0.28 0.41 0.00 0.00 173.24 174.77 2ror h SER 6 N 7.91 -0.54 -0.41 2.44 0.02 -2.07 -3.50 113.55 117.40 2ror h SER 6 Ca -0.32 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2ror h SER 6 Cb 1.10 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2ror h SER 6 CO 0.53 -0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.70 2ror n GLY 7 N -0.10 0.05 3.23 -3.77 0.00 -1.26 -5.15 105.19 98.18 2ror n GLY 7 Ca -0.09 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.64 1.27 0.13 1.61 2.20 -1.26 -5.17 119.74 117.88 2ror s LYS 8 Ca 0.00 -1.68 0.09 0.00 -0.36 0.00 0.00 55.97 54.02 2ror s LYS 8 Cb 0.00 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.46 2ror s LYS 8 CO 0.00 -0.39 -0.21 0.00 -0.36 0.00 0.00 175.35 174.39 2ror s ALA 9 N -4.04 2.01 -0.04 3.13 0.00 -1.26 -5.14 121.76 116.42 2ror s ALA 9 Ca 0.39 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2ror s ALA 9 Cb 0.07 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2ror s ALA 9 CO 0.13 0.36 -0.04 -1.21 0.00 0.00 0.00 175.76 175.00 2ror s GLU 10 N -2.25 0.72 -0.20 0.00 0.41 -1.26 -5.13 118.70 111.00 2ror s GLU 10 Ca 0.11 -0.09 -0.02 0.00 -0.41 0.00 0.00 54.97 54.56 2ror s GLU 10 Cb -0.09 -0.75 -0.00 0.00 -1.78 0.00 0.00 34.13 31.51 2ror s GLU 10 CO 0.06 -0.07 -0.09 0.00 -0.49 0.00 0.00 175.26 174.66 2ror s ALA 11 N 0.83 2.67 0.52 5.21 0.00 -1.26 -5.12 121.76 124.62 2ror s ALA 11 Ca -0.11 -1.14 0.09 0.00 0.00 0.00 0.00 51.96 50.80 2ror s ALA 11 Cb -0.14 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.53 2ror s ALA 11 CO -0.00 -0.32 0.69 -1.21 0.00 0.00 0.00 175.76 174.91 2ror s GLU 12 N 1.29 2.46 0.06 0.00 8.01 -1.26 -5.14 118.70 124.11 2ror s GLU 12 Ca 0.03 -1.55 0.00 0.00 0.01 0.00 0.00 54.97 53.46 2ror s GLU 12 Cb -0.14 -2.63 -0.04 0.00 -4.31 0.00 0.00 34.13 27.01 2ror s GLU 12 CO -0.04 -0.65 -0.05 1.14 0.01 0.00 0.00 175.26 175.67 2ror s GLN 13 N -4.53 0.64 -0.54 1.61 -2.07 -1.26 -5.05 119.66 108.46 2ror s GLN 13 Ca 0.57 -1.15 -0.02 0.00 -1.82 0.00 0.00 55.36 52.94 2ror s GLN 13 Cb -0.07 0.02 0.23 0.00 -1.09 0.00 0.00 33.01 32.10 2ror s GLN 13 CO 0.36 -0.06 2.31 0.09 -1.32 0.00 0.00 175.29 176.66 2ror n ASN 14 N 0.35 6.91 -4.36 12.60 3.02 -1.26 -4.85 115.26 127.67 2ror n ASN 14 Ca -0.15 -3.41 -0.46 0.00 -0.03 0.00 0.00 54.58 50.53 2ror n ASN 14 Cb 0.60 -1.11 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 2ror n ASN 14 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2ror s TRP 15 N -2.60 3.61 -0.32 3.10 -0.11 -1.26 -4.98 118.94 116.38 2ror s TRP 15 Ca 0.52 -1.85 0.02 0.00 1.22 0.00 0.00 56.10 56.01 2ror s TRP 15 Cb 0.38 -3.94 0.10 0.00 -1.50 0.00 0.00 33.47 28.51 2ror s TRP 15 CO -0.17 -1.12 0.06 1.67 -4.62 0.00 0.00 176.95 172.77 2ror s TRP 16 N 0.79 2.84 -0.35 5.86 -2.14 -1.26 -4.97 118.94 119.71 2ror s TRP 16 Ca 0.22 -2.41 0.06 0.00 2.66 0.00 0.00 56.10 56.63 2ror s TRP 16 Cb -0.09 -2.35 0.45 0.00 -3.10 0.00 0.00 33.47 28.38 2ror s TRP 16 CO -0.09 -0.91 1.17 0.39 -2.66 0.00 0.00 176.95 174.84 2ror n GLU 17 N 4.52 3.55 -2.97 3.25 1.02 -1.26 -5.01 120.64 123.74 2ror n GLU 17 Ca 0.00 -4.29 -0.30 0.00 -0.02 0.00 0.00 57.16 52.55 2ror n GLU 17 Cb 0.42 -2.27 0.03 0.00 -0.02 0.00 0.00 31.44 29.60 2ror n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ror n GLY 18 N -0.63 0.10 3.75 0.62 0.00 -1.26 -4.83 105.19 102.94 2ror n GLY 18 Ca 0.42 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.91 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 -2.00 4.43 1.07 1.61 0.04 -1.26 -5.03 135.00 133.85 2ror s PRO 19 Ca 0.28 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 2ror s PRO 19 Cb -0.03 -3.16 0.27 0.00 0.04 0.00 0.00 34.50 31.62 2ror s PRO 19 CO 0.68 -0.14 0.95 -0.35 0.04 0.00 0.00 177.00 178.17 2ror n PRO 20 N 1.80 -2.88 -1.44 0.56 -0.04 -1.26 -4.86 135.00 126.88 2ror n PRO 20 Ca 0.03 -1.52 -0.56 0.00 -0.04 0.00 0.00 63.50 61.41 2ror n PRO 20 Cb 0.43 -1.42 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2ror n PRO 20 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2ror n GLN 21 N -4.41 0.00 -3.78 0.54 -0.06 -1.26 -4.94 117.38 103.47 2ror n GLN 21 Ca 0.13 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 55.04 2ror n GLN 21 Cb 0.51 -1.39 -0.06 0.00 -4.06 0.00 0.00 30.24 25.24 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2ror s ASP 22 N 0.62 -0.04 0.57 1.69 1.01 -1.26 -5.02 116.67 114.24 2ror s ASP 22 Ca 0.87 -0.54 0.28 0.00 0.71 0.00 0.00 52.55 53.87 2ror s ASP 22 Cb -1.22 0.41 1.52 0.00 1.01 0.00 0.00 42.92 44.64 2ror s ASP 22 CO 0.58 -0.81 1.99 -0.07 0.21 0.00 0.00 175.17 177.07 2ror h LEU 23 N 2.55 0.00 -0.82 1.23 3.38 -1.96 -2.16 115.31 117.54 2ror h LEU 23 Ca -0.33 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.82 2ror h LEU 23 Cb 1.23 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 2ror h LEU 23 CO 0.51 0.00 -0.07 0.77 0.09 0.00 0.00 178.44 179.74 2ror h SER 24 N 0.00 -0.52 -1.18 -0.43 4.64 -1.96 0.29 113.55 114.39 2ror h SER 24 Ca 0.18 0.23 0.41 0.00 -0.47 0.00 0.00 61.79 62.15 2ror h SER 24 Cb 0.91 0.43 -0.12 0.00 -0.31 0.00 0.00 62.40 63.31 2ror h SER 24 CO -0.00 -0.24 0.75 1.33 -0.87 0.00 0.00 176.83 177.79 2ror n VAL 25 N -5.44 -0.23 -2.47 0.95 0.24 -0.81 -4.31 118.33 106.26 2ror n VAL 25 Ca 0.15 1.59 -0.36 0.00 -2.04 0.00 0.00 64.34 63.67 2ror n VAL 25 Cb 0.50 -2.61 -0.03 0.00 -1.47 0.00 0.00 33.84 30.23 2ror n VAL 25 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2ror s HIS 26 N -5.06 3.15 -1.05 6.34 4.02 0.10 -4.89 115.29 117.89 2ror s HIS 26 Ca -0.07 1.61 0.01 0.00 1.02 0.00 0.00 55.06 57.63 2ror s HIS 26 Cb 0.27 -3.19 0.04 0.00 -1.02 0.00 0.00 32.58 28.68 2ror s HIS 26 CO 0.71 -0.87 1.01 1.28 1.02 0.00 0.00 174.74 177.89 2ror n LEU 27 N -0.23 0.00 -3.94 0.89 4.77 -1.26 -4.40 117.00 112.83 2ror n LEU 27 Ca 0.06 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.29 2ror n LEU 27 Cb 0.49 -0.47 -0.17 0.00 -2.33 0.00 0.00 43.42 40.94 2ror n LEU 27 CO 0.45 -0.46 -0.43 -1.66 -1.33 0.00 0.00 177.39 173.96 2ror s TRP 28 N -2.95 1.08 -0.09 -1.77 1.48 -1.26 -2.27 118.94 113.16 2ror s TRP 28 Ca 0.00 -0.38 -0.11 0.00 -1.06 0.00 0.00 56.10 54.56 2ror s TRP 28 Cb 0.01 -0.88 0.03 0.00 -1.16 0.00 0.00 33.47 31.47 2ror s TRP 28 CO 0.02 -0.26 0.29 -0.47 -4.06 0.00 0.00 176.95 172.47 2ror s TYR 29 N 0.94 -0.29 -0.25 1.66 5.04 -1.26 -4.68 117.35 118.50 2ror s TYR 29 Ca -0.10 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 55.18 2ror s TYR 29 Cb -0.15 0.10 0.14 0.00 0.35 0.00 0.00 41.96 42.41 2ror s TYR 29 CO 0.01 -0.19 0.42 0.00 -1.34 0.00 0.00 175.55 174.44 2ror s ALA 30 N -0.09 -1.29 1.00 3.97 0.00 0.31 -4.66 121.76 121.00 2ror s ALA 30 Ca -0.02 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2ror s ALA 30 Cb -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2ror s ALA 30 CO 0.01 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.92 2ror n GLY 31 N 5.38 -1.00 0.00 0.00 0.00 -1.26 -3.30 105.19 105.01 2ror n GLY 31 Ca -0.03 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.74 1.61 -0.04 -1.26 -2.98 135.00 132.08 2ror n PRO 32 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 2ror n PRO 32 Cb 0.00 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.75 0.00 -1.59 0.54 1.56 -1.26 -4.84 117.12 110.79 2ror n MET 33 Ca 0.06 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.16 2ror n MET 33 Cb 0.03 -0.53 0.07 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 -0.53 2.56 0.14 2.12 -1.05 -1.26 -4.85 118.70 115.83 2ror s GLU 34 Ca 0.34 1.39 -0.29 0.00 -0.15 0.00 0.00 54.97 56.26 2ror s GLU 34 Cb -0.49 -1.92 -0.07 0.00 -0.44 0.00 0.00 34.13 31.21 2ror s GLU 34 CO 0.30 -1.44 1.50 -0.09 0.95 0.00 0.00 175.26 176.47 2ror h ARG 35 N -0.30 -0.07 -0.99 -4.83 9.65 -2.01 0.56 114.38 116.38 2ror h ARG 35 Ca -0.46 0.00 0.21 0.00 -1.10 0.00 0.00 59.98 58.63 2ror h ARG 35 Cb 1.25 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.74 2ror h ARG 35 CO 0.53 -0.05 0.62 0.00 2.80 0.00 0.00 179.97 183.87 2ror h ALA 36 N 0.27 1.84 -0.91 2.80 0.00 -2.00 0.74 119.26 122.00 2ror h ALA 36 Ca 0.13 0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2ror h ALA 36 Cb 0.41 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2ror h ALA 36 CO -0.80 -0.21 0.60 0.78 0.00 0.00 0.00 179.25 179.62 2ror h GLY 37 N 0.65 0.90 0.04 0.00 0.00 -0.21 -2.52 103.07 101.93 2ror h GLY 37 Ca 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 2ror h GLY 37 CO -0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 176.54 176.17 2ror h ALA 38 N 1.61 -0.04 -0.79 3.60 0.00 -0.63 -3.28 119.26 119.73 2ror h ALA 38 Ca 0.48 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2ror h ALA 38 Cb 1.18 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.88 2ror h ALA 38 CO -0.19 -0.04 -0.41 0.39 0.00 0.00 0.00 179.25 179.00 2ror n GLU 39 N -4.78 -0.29 -0.19 0.00 1.02 -1.05 0.10 120.64 115.44 2ror n GLU 39 Ca -0.02 1.20 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 2ror n GLU 39 Cb 0.10 -1.77 0.10 0.00 -0.02 0.00 0.00 31.44 29.85 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 -0.18 0.43 1.62 0.87 -1.62 1.03 113.55 115.69 2ror h SER 40 Ca 0.18 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2ror h SER 40 Cb 0.38 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2ror h SER 40 CO -0.76 -0.07 -0.30 0.40 -0.53 0.00 0.00 176.83 175.57 2ror h ILE 41 N 0.16 0.00 0.00 2.23 2.04 0.65 0.90 117.51 123.49 2ror h ILE 41 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 2ror h ILE 41 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2ror h ILE 41 CO -0.47 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.86 2ror n LEU 42 N -4.22 0.00 -0.06 1.44 4.77 -0.34 -0.86 117.00 117.72 2ror n LEU 42 Ca -0.08 0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 2ror n LEU 42 Cb 0.30 -0.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 2ror n LEU 42 CO 0.19 -0.26 -0.88 0.00 -1.33 0.00 0.00 177.39 175.11 2ror n ALA 43 N -1.39 1.48 0.01 -1.18 0.00 0.35 -4.07 120.51 115.71 2ror n ALA 43 Ca 0.04 -1.06 -0.17 0.00 0.00 0.00 0.00 53.44 52.25 2ror n ALA 43 Cb 0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 2ror n ALA 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ror h ASN 44 N 0.00 0.31 0.00 0.00 2.35 0.15 -3.41 115.58 114.99 2ror h ASN 44 Ca -0.43 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 54.70 2ror h ASN 44 Cb 2.13 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.40 2ror h ASN 44 CO 0.05 1.55 0.00 0.54 -1.65 0.00 0.00 177.43 177.92 2ror n ARG 45 N -3.37 0.00 -3.96 0.81 3.00 -0.04 -5.03 116.66 108.07 2ror n ARG 45 Ca -0.24 0.24 0.02 0.00 -0.01 0.00 0.00 57.85 57.85 2ror n ARG 45 Cb 1.05 -1.21 0.01 0.00 0.00 0.00 0.00 32.46 32.31 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 -2.04 0.00 -0.66 0.55 0.15 -1.26 -5.08 113.70 105.36 2ror s SER 46 Ca 0.00 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.15 2ror s SER 46 Cb 0.00 0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2ror s SER 46 CO 0.00 -0.38 1.06 -0.62 1.20 0.00 0.00 173.24 174.50 2ror s ASP 47 N -3.73 6.21 0.00 5.45 2.15 -1.26 -3.45 116.67 122.03 2ror s ASP 47 Ca 0.28 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.57 2ror s ASP 47 Cb -0.01 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2ror s ASP 47 CO -0.00 -1.52 0.00 0.61 -0.17 0.00 0.00 175.17 174.09 2ror n GLY 48 N 5.30 0.35 3.74 2.66 0.00 0.11 -4.99 105.19 112.36 2ror n GLY 48 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.85 2.64 0.31 2.61 2.01 -1.22 -2.38 115.64 118.75 2ror s THR 49 Ca 0.00 0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.25 2ror s THR 49 Cb 0.00 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.69 2ror s THR 49 CO 0.00 -0.18 0.44 0.72 -0.69 0.00 0.00 174.62 174.91 2ror s PHE 50 N -2.16 0.91 0.14 4.92 -0.71 0.25 -0.87 117.98 120.46 2ror s PHE 50 Ca 0.71 -1.17 -0.24 0.00 -1.04 0.00 0.00 56.93 55.19 2ror s PHE 50 Cb -0.26 -0.07 0.08 0.00 -1.21 0.00 0.00 43.02 41.57 2ror s PHE 50 CO 0.45 -1.06 1.07 -0.48 -1.34 0.00 0.00 175.22 173.87 2ror s LEU 51 N -3.18 -0.02 -0.24 -1.99 0.05 -0.60 -1.44 118.68 111.25 2ror s LEU 51 Ca 0.29 -0.54 0.02 0.00 0.05 0.00 0.00 54.13 53.95 2ror s LEU 51 Cb 0.00 1.95 0.05 0.00 -2.05 0.00 0.00 46.19 46.15 2ror s LEU 51 CO 0.17 -0.85 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.31 2ror s VAL 52 N -2.32 2.25 0.37 1.48 1.01 -1.26 -2.68 120.40 119.25 2ror s VAL 52 Ca 0.21 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.83 2ror s VAL 52 Cb -0.02 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 2ror s VAL 52 CO 0.04 0.11 0.52 -0.13 0.00 0.00 0.00 175.10 175.63 2ror s ARG 53 N 1.17 3.00 0.22 2.72 0.52 0.70 -0.53 118.95 126.74 2ror s ARG 53 Ca -0.05 -1.10 0.10 0.00 -0.52 0.00 0.00 55.73 54.16 2ror s ARG 53 Cb -0.18 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.45 2ror s ARG 53 CO -0.06 -0.08 -0.18 -1.14 0.02 0.00 0.00 175.30 173.85 2ror s GLN 54 N -4.25 1.44 0.30 3.54 0.74 -1.16 0.64 119.66 120.90 2ror s GLN 54 Ca 0.49 -1.59 -0.02 0.00 0.05 0.00 0.00 55.36 54.29 2ror s GLN 54 Cb -0.10 -1.43 -0.04 0.00 1.10 0.00 0.00 33.01 32.54 2ror s GLN 54 CO 0.32 0.27 0.52 0.50 -0.55 0.00 0.00 175.29 176.35 2ror s ARG 55 N -3.30 3.55 -0.18 1.67 6.06 -1.25 -4.57 118.95 120.93 2ror s ARG 55 Ca 0.23 -0.18 0.03 0.00 -2.50 0.00 0.00 55.73 53.30 2ror s ARG 55 Cb -0.04 -2.69 -0.22 0.00 0.06 0.00 0.00 34.95 32.07 2ror s ARG 55 CO 0.09 0.22 0.11 0.28 -2.50 0.00 0.00 175.30 173.51 2ror n VAL 56 N -1.21 1.59 0.07 7.11 0.31 -1.26 -4.46 118.33 120.48 2ror n VAL 56 Ca -0.03 -0.67 -0.15 0.00 -0.01 0.00 0.00 64.34 63.48 2ror n VAL 56 Cb 0.55 -1.34 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ror h LYS 57 N 0.02 -0.61 -4.11 5.55 1.57 -2.02 -3.41 116.57 113.56 2ror h LYS 57 Ca -0.49 0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 57.85 2ror h LYS 57 Cb 2.01 0.14 -0.36 0.00 0.08 0.00 0.00 32.23 34.10 2ror h LYS 57 CO 0.01 -0.41 -0.79 0.16 -0.57 0.00 0.00 179.45 177.85 2ror s ASP 58 N -4.75 1.73 0.23 0.86 1.47 -1.26 -5.03 116.67 109.92 2ror s ASP 58 Ca -0.16 -0.21 -0.11 0.00 1.18 0.00 0.00 52.55 53.24 2ror s ASP 58 Cb 0.08 -0.67 0.32 0.00 -0.34 0.00 0.00 42.92 42.31 2ror s ASP 58 CO 0.63 -0.10 1.61 0.00 0.68 0.00 0.00 175.17 177.99 2ror h ALA 59 N 7.83 0.54 -0.10 2.11 0.00 -1.80 -3.21 119.26 124.63 2ror h ALA 59 Ca -0.29 0.28 -0.42 0.00 0.00 0.00 0.00 54.91 54.48 2ror h ALA 59 Cb 1.14 0.53 0.06 0.00 0.00 0.00 0.00 17.79 19.52 2ror h ALA 59 CO 0.39 -0.42 1.20 0.00 0.00 0.00 0.00 179.25 180.42 2ror n ALA 60 N -3.17 1.40 -3.55 0.00 0.00 -1.26 -4.71 120.51 109.22 2ror n ALA 60 Ca 0.10 -2.78 -0.07 0.00 0.00 0.00 0.00 53.44 50.70 2ror n ALA 60 Cb 0.39 -3.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.24 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 6.84 0.73 0.34 0.00 2.02 -1.21 -4.62 118.70 122.80 2ror s GLU 61 Ca 0.69 -0.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.22 2ror s GLU 61 Cb 0.07 0.32 0.04 0.00 0.10 0.00 0.00 34.13 34.66 2ror s GLU 61 CO 0.22 -0.32 0.74 -0.06 0.02 0.00 0.00 175.26 175.86 2ror s PHE 62 N -2.96 0.08 0.15 1.61 0.08 -1.25 -3.94 117.98 111.74 2ror s PHE 62 Ca 0.07 -0.65 -0.17 0.00 0.12 0.00 0.00 56.93 56.30 2ror s PHE 62 Cb -0.01 0.72 0.03 0.00 -0.57 0.00 0.00 43.02 43.20 2ror s PHE 62 CO -0.07 -1.42 0.45 0.00 -0.10 0.00 0.00 175.22 174.09 2ror s ALA 63 N -2.94 -0.96 -0.32 5.36 0.00 0.21 -0.63 121.76 122.48 2ror s ALA 63 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.03 2ror s ALA 63 Cb -0.05 0.77 0.10 0.00 0.00 0.00 0.00 23.12 23.94 2ror s ALA 63 CO 0.10 -0.71 0.08 0.42 0.00 0.00 0.00 175.76 175.66 2ror s ILE 64 N -3.83 1.32 -0.17 0.00 1.01 -0.15 -0.21 121.20 119.17 2ror s ILE 64 Ca 0.05 -1.69 -0.13 0.00 0.00 0.00 0.00 60.65 58.88 2ror s ILE 64 Cb 0.01 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2ror s ILE 64 CO -0.09 -0.64 0.28 -0.55 0.00 0.00 0.00 174.94 173.94 2ror s SER 65 N 1.39 6.39 0.01 3.58 0.15 -1.09 -2.10 113.70 122.03 2ror s SER 65 Ca 0.10 0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.22 2ror s SER 65 Cb -0.18 -2.17 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2ror s SER 65 CO -0.20 0.08 -0.06 -0.51 1.20 0.00 0.00 173.24 173.75 2ror s ILE 66 N 0.60 0.48 -0.23 6.45 -1.16 -0.93 -1.56 121.20 124.85 2ror s ILE 66 Ca 0.15 -0.46 -0.21 0.00 -0.51 0.00 0.00 60.65 59.62 2ror s ILE 66 Cb -0.13 -0.45 -0.02 0.00 0.61 0.00 0.00 42.46 42.47 2ror s ILE 66 CO 0.04 -0.00 0.64 -0.75 -2.81 0.00 0.00 174.94 172.05 2ror s LYS 67 N -0.51 4.16 -0.28 3.50 2.47 -0.05 -1.52 119.74 127.51 2ror s LYS 67 Ca -0.01 0.59 -0.25 0.00 -1.56 0.00 0.00 55.97 54.75 2ror s LYS 67 Cb -0.04 -3.62 0.10 0.00 -1.46 0.00 0.00 37.83 32.81 2ror s LYS 67 CO -0.00 -0.33 0.87 -0.47 0.16 0.00 0.00 175.35 175.57 2ror s TYR 68 N 2.23 -0.65 -0.71 4.03 5.04 -0.88 -0.71 117.35 125.71 2ror s TYR 68 Ca 0.28 1.57 -0.02 0.00 -2.44 0.00 0.00 57.07 56.45 2ror s TYR 68 Cb -0.16 0.32 -0.02 0.00 0.35 0.00 0.00 41.96 42.46 2ror s TYR 68 CO 0.09 -0.31 0.60 -1.71 -1.34 0.00 0.00 175.55 172.88 2ror n ASN 69 N 2.54 -3.46 -1.83 4.32 2.85 -1.26 -2.78 115.26 115.63 2ror n ASN 69 Ca -0.14 -0.42 -0.00 0.00 -0.11 0.00 0.00 54.58 53.92 2ror n ASN 69 Cb 0.56 -3.43 -0.00 0.00 1.24 0.00 0.00 39.78 38.14 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 -2.77 -0.00 -3.71 3.44 0.24 -1.26 -4.82 118.33 109.45 2ror n VAL 70 Ca -0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 2ror n VAL 70 Cb 0.59 -0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.85 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 -3.66 0.40 -0.36 7.34 0.41 -1.12 -5.13 118.70 116.58 2ror s GLU 71 Ca 0.00 0.71 -0.24 0.00 -0.41 0.00 0.00 54.97 55.03 2ror s GLU 71 Cb 0.00 0.04 0.01 0.00 -1.78 0.00 0.00 34.13 32.40 2ror s GLU 71 CO 0.00 -0.13 0.83 0.08 -0.49 0.00 0.00 175.26 175.55 2ror s VAL 72 N 1.07 4.68 0.54 2.63 1.01 -1.26 -2.07 120.40 126.99 2ror s VAL 72 Ca -0.07 0.99 0.03 0.00 0.00 0.00 0.00 61.98 62.93 2ror s VAL 72 Cb -0.07 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.10 2ror s VAL 72 CO -0.09 -0.47 0.75 -0.54 0.00 0.00 0.00 175.10 174.75 2ror s LYS 73 N 3.23 2.53 -0.10 2.72 -0.14 -0.58 -4.95 119.74 122.44 2ror s LYS 73 Ca 0.34 -0.94 -0.16 0.00 -1.36 0.00 0.00 55.97 53.85 2ror s LYS 73 Cb -0.13 -2.54 0.04 0.00 -1.68 0.00 0.00 37.83 33.52 2ror s LYS 73 CO 0.17 -0.68 0.39 -1.01 -0.76 0.00 0.00 175.35 173.47 2ror s HIS 74 N -2.70 -0.38 -0.08 3.18 3.76 -1.26 -2.18 115.29 115.64 2ror s HIS 74 Ca 0.58 0.83 0.03 0.00 -0.15 0.00 0.00 55.06 56.34 2ror s HIS 74 Cb -0.10 0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.75 2ror s HIS 74 CO 0.38 -0.30 -0.16 0.42 -0.85 0.00 0.00 174.74 174.22 2ror s ILE 75 N -0.38 1.46 0.40 0.60 1.09 -0.89 -4.96 121.20 118.52 2ror s ILE 75 Ca -0.05 -0.67 -0.19 0.00 -1.10 0.00 0.00 60.65 58.64 2ror s ILE 75 Cb -0.03 -1.30 -0.10 0.00 -1.06 0.00 0.00 42.46 39.96 2ror s ILE 75 CO 0.02 0.43 0.89 -0.75 -0.10 0.00 0.00 174.94 175.43 2ror s LYS 76 N 0.55 4.16 -0.05 2.79 2.20 -1.26 -0.97 119.74 127.16 2ror s LYS 76 Ca -0.16 0.99 0.06 0.00 -0.36 0.00 0.00 55.97 56.50 2ror s LYS 76 Cb -0.17 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.90 2ror s LYS 76 CO 0.06 0.02 -0.24 0.42 -0.36 0.00 0.00 175.35 175.25 2ror s ILE 77 N -2.13 1.94 0.15 5.43 1.01 0.20 -4.71 121.20 123.09 2ror s ILE 77 Ca 0.60 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2ror s ILE 77 Cb -0.09 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2ror s ILE 77 CO 0.15 0.54 0.12 -0.04 0.00 0.00 0.00 174.94 175.70 2ror s MET 78 N -0.18 2.86 0.00 2.79 -1.94 -1.19 -3.97 119.30 117.67 2ror s MET 78 Ca -0.02 -0.86 -0.11 0.00 -1.71 0.00 0.00 55.69 52.98 2ror s MET 78 Cb -0.13 -2.64 0.01 0.00 2.01 0.00 0.00 34.83 34.09 2ror s MET 78 CO 0.03 0.49 0.23 0.95 -0.01 0.00 0.00 175.02 176.72 2ror s THR 79 N -1.69 0.07 0.00 2.05 -4.23 -1.26 -3.37 115.64 107.22 2ror s THR 79 Ca 0.30 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2ror s THR 79 Cb -0.10 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.13 2ror s THR 79 CO 0.23 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.97 2ror n ALA 80 N 1.21 2.60 -0.38 3.99 0.00 -1.26 -4.91 120.51 121.77 2ror n ALA 80 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.28 2ror n ALA 80 Cb 0.56 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.90 2.86 0.00 0.00 1.02 -1.26 -4.88 120.64 116.48 2ror n GLU 81 Ca 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 57.16 54.94 2ror n GLU 81 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 0.12 0.97 3.97 0.62 0.00 -1.26 -5.14 105.19 104.47 2ror n GLY 82 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 3.40 -0.04 0.99 2.01 -1.26 -4.77 118.68 119.01 2ror s LEU 83 Ca 0.00 0.08 -0.02 0.00 0.01 0.00 0.00 54.13 54.21 2ror s LEU 83 Cb 0.00 -2.97 0.03 0.00 0.01 0.00 0.00 46.19 43.26 2ror s LEU 83 CO 0.00 -0.99 0.05 -0.31 1.01 0.00 0.00 176.35 176.11 2ror s TYR 84 N -2.69 0.14 -0.26 0.29 1.51 -1.23 -4.29 117.35 110.82 2ror s TYR 84 Ca 0.54 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.57 2ror s TYR 84 Cb -0.10 -0.51 0.07 0.00 -0.11 0.00 0.00 41.96 41.31 2ror s TYR 84 CO 0.38 -0.20 0.69 -0.98 -1.11 0.00 0.00 175.55 174.33 2ror s ARG 85 N 2.05 0.78 0.14 -0.62 1.70 -1.22 -2.11 118.95 119.68 2ror s ARG 85 Ca 0.04 1.02 0.16 0.00 -0.47 0.00 0.00 55.73 56.48 2ror s ARG 85 Cb -0.12 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.52 2ror s ARG 85 CO -0.03 -0.11 1.05 -0.84 -1.08 0.00 0.00 175.30 174.29 2ror h ILE 86 N 4.29 0.61 -4.17 4.99 3.07 -1.84 -3.13 117.51 121.33 2ror h ILE 86 Ca -0.29 -2.04 -0.26 0.00 1.55 0.00 0.00 64.86 63.81 2ror h ILE 86 Cb 1.18 2.15 -0.15 0.00 -0.27 0.00 0.00 36.82 39.73 2ror h ILE 86 CO 0.09 0.35 -0.63 0.42 -1.05 0.00 0.00 178.15 177.33 2ror s THR 87 N -2.95 0.31 0.19 0.16 -4.23 -1.26 -4.93 115.64 102.93 2ror s THR 87 Ca -0.00 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2ror s THR 87 Cb 0.08 -2.34 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 2ror s THR 87 CO 0.79 -0.21 1.48 1.05 -0.54 0.00 0.00 174.62 177.18 2ror h GLU 88 N 2.64 0.48 0.50 3.99 -0.00 -2.04 -3.29 114.58 116.85 2ror h GLU 88 Ca -0.36 -0.34 -0.02 0.00 -0.00 0.00 0.00 59.36 58.63 2ror h GLU 88 Cb 1.23 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 30.04 2ror h GLU 88 CO 0.59 0.96 -0.24 0.87 -0.00 0.00 0.00 179.01 181.18 2ror h LYS 89 N 0.35 -0.65 -6.63 1.06 1.57 -2.01 -3.43 116.57 106.83 2ror h LYS 89 Ca -0.01 0.04 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 2ror h LYS 89 Cb 1.19 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 2ror h LYS 89 CO 0.11 -0.38 0.00 0.21 -0.57 0.00 0.00 179.45 178.83 2ror s LYS 90 N -5.55 3.83 0.15 3.15 2.47 -1.24 -5.09 119.74 117.45 2ror s LYS 90 Ca -0.16 0.40 -0.19 0.00 -1.56 0.00 0.00 55.97 54.46 2ror s LYS 90 Cb 0.03 -2.52 0.05 0.00 -1.46 0.00 0.00 37.83 33.93 2ror s LYS 90 CO 0.59 0.17 0.50 0.00 0.16 0.00 0.00 175.35 176.76 2ror s ALA 91 N -2.04 -1.23 0.24 3.13 0.00 -1.26 -4.29 121.76 116.30 2ror s ALA 91 Ca 0.50 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 2ror s ALA 91 Cb -0.11 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2ror s ALA 91 CO 0.24 -0.71 0.32 -0.06 0.00 0.00 0.00 175.76 175.54 2ror s PHE 92 N -3.79 0.87 -0.03 0.00 0.40 -0.89 -5.00 117.98 109.54 2ror s PHE 92 Ca 0.03 -1.13 0.14 0.00 -0.60 0.00 0.00 56.93 55.37 2ror s PHE 92 Cb 0.00 -0.22 -0.22 0.00 0.51 0.00 0.00 43.02 43.09 2ror s PHE 92 CO -0.12 -0.85 0.29 2.89 0.70 0.00 0.00 175.22 178.14 2ror n ARG 93 N -0.37 0.57 -3.78 0.44 0.00 -1.26 -3.55 116.66 108.71 2ror n ARG 93 Ca 0.01 -0.12 -0.13 0.00 -0.00 0.00 0.00 57.85 57.61 2ror n ARG 93 Cb 0.64 -1.35 -0.11 0.00 -0.00 0.00 0.00 32.46 31.64 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 -3.78 -0.18 0.24 2.89 0.00 -1.26 -4.72 107.32 100.50 2ror s GLY 94 Ca -0.05 0.67 -0.04 0.00 0.00 0.00 0.00 44.72 45.29 2ror s GLY 94 CO 0.60 0.54 1.76 -2.00 0.00 0.00 0.00 173.10 174.00 2ror h LEU 95 N 5.40 0.40 -0.46 0.66 5.85 -1.92 -1.46 115.31 123.78 2ror h LEU 95 Ca -0.27 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2ror h LEU 95 Cb 1.19 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 2ror h LEU 95 CO 0.35 0.19 -0.12 0.74 -0.34 0.00 0.00 178.44 179.25 2ror h THR 96 N 0.54 0.53 -0.38 1.05 2.02 -2.00 -1.54 112.91 113.13 2ror h THR 96 Ca 0.40 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.55 2ror h THR 96 Cb 0.54 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2ror h THR 96 CO -0.34 0.00 0.12 -0.33 0.37 0.00 0.00 175.52 175.33 2ror h GLU 97 N -0.01 0.60 -0.83 6.66 4.39 -1.71 0.22 114.58 123.91 2ror h GLU 97 Ca 0.22 -0.13 0.24 0.00 0.34 0.00 0.00 59.36 60.03 2ror h GLU 97 Cb 0.34 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2ror h GLU 97 CO -0.48 0.61 0.60 1.25 -1.16 0.00 0.00 179.01 179.83 2ror h LEU 98 N 0.47 0.00 0.03 1.33 6.46 -0.35 0.30 115.31 123.55 2ror h LEU 98 Ca 0.12 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.56 2ror h LEU 98 Cb 0.26 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 2ror h LEU 98 CO -0.00 0.00 -1.79 0.52 -0.62 0.00 0.00 178.44 176.55 2ror n VAL 99 N -4.28 1.59 0.43 1.05 0.31 -0.75 -3.43 118.33 113.24 2ror n VAL 99 Ca 0.17 -0.29 0.04 0.00 -0.01 0.00 0.00 64.34 64.25 2ror n VAL 99 Cb 0.90 -1.89 0.23 0.00 -0.91 0.00 0.00 33.84 32.16 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 -4.08 0.14 -0.13 5.55 -0.58 0.74 -2.56 120.64 119.71 2ror n GLU 100 Ca -0.38 0.19 -0.26 0.00 -0.42 0.00 0.00 57.16 56.29 2ror n GLU 100 Cb 0.83 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 30.09 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 -1.27 0.15 -0.18 -0.32 7.35 0.99 -4.37 117.46 119.82 2ror n PHE 101 Ca 0.04 0.06 0.24 0.00 -0.76 0.00 0.00 57.45 57.03 2ror n PHE 101 Cb 0.07 -1.02 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 -0.72 0.22 -0.08 -5.13 0.05 -1.52 0.28 116.97 110.08 2ror h TYR 102 Ca -0.63 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.18 2ror h TYR 102 Cb 1.67 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 39.34 2ror h TYR 102 CO -0.04 0.06 0.29 1.96 -1.05 0.00 0.00 178.16 179.38 2ror h GLN 103 N 0.16 0.00 0.00 4.88 4.20 -1.74 -1.27 115.11 121.34 2ror h GLN 103 Ca 0.42 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.80 2ror h GLN 103 Cb 1.40 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.12 2ror h GLN 103 CO -0.07 0.00 -2.25 1.04 -0.67 0.00 0.00 178.83 176.88 2ror n GLN 104 N -3.12 0.85 -3.65 1.46 3.00 0.97 -4.84 117.38 112.05 2ror n GLN 104 Ca -0.00 0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.66 2ror n GLN 104 Cb 0.37 -1.45 -0.12 0.00 0.00 0.00 0.00 30.24 29.04 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 -5.67 5.57 0.19 1.08 2.20 -0.48 -5.04 114.94 112.80 2ror s ASN 105 Ca -0.19 -0.69 -0.33 0.00 -0.94 0.00 0.00 52.86 50.70 2ror s ASN 105 Cb 0.07 -2.00 -0.14 0.00 -2.00 0.00 0.00 41.25 37.18 2ror s ASN 105 CO 0.62 -0.26 1.53 -0.24 -2.94 0.00 0.00 177.10 175.82 2ror n SER 106 N 4.97 3.06 0.17 3.54 2.88 -1.26 -4.57 113.62 122.42 2ror n SER 106 Ca -0.13 1.10 0.09 0.00 -1.33 0.00 0.00 58.87 58.60 2ror n SER 106 Cb 0.48 -1.44 0.49 0.00 -0.75 0.00 0.00 64.21 62.99 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 5.36 0.00 -2.08 2.46 3.38 -1.75 -0.58 115.31 122.09 2ror h LEU 107 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2ror h LEU 107 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2ror h LEU 107 CO 0.84 0.00 0.00 0.07 0.09 0.00 0.00 178.44 179.44 2ror h LYS 108 N 0.00 0.00 -0.39 1.13 2.10 -0.93 0.60 116.57 119.07 2ror h LYS 108 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2ror h LYS 108 Cb 0.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2ror h LYS 108 CO 0.00 0.00 0.07 -0.44 -2.00 0.00 0.00 179.45 177.08 2ror h ASP 109 N 0.00 0.55 0.00 7.07 3.32 -1.37 -3.36 116.42 122.63 2ror h ASP 109 Ca 0.00 -0.09 -0.24 0.00 0.02 0.00 0.00 57.03 56.72 2ror h ASP 109 Cb 0.00 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 2ror h ASP 109 CO 0.00 0.57 -1.77 0.00 -1.72 0.00 0.00 179.24 176.32 2ror s PHE 111 N -2.27 3.24 0.58 0.00 0.08 0.09 -4.90 117.98 114.80 2ror s PHE 111 Ca -0.20 -1.30 0.29 0.00 0.12 0.00 0.00 56.93 55.84 2ror s PHE 111 Cb 0.08 -3.90 1.46 0.00 -0.57 0.00 0.00 43.02 40.09 2ror s PHE 111 CO 0.25 -1.13 1.88 1.57 -0.10 0.00 0.00 175.22 177.69 2ror h LYS 112 N 8.81 0.00 -0.04 0.44 -0.00 -1.82 -0.36 116.57 123.60 2ror h LYS 112 Ca -0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.43 2ror h LYS 112 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.31 2ror h LYS 112 CO 1.02 0.00 -0.03 1.03 -0.00 0.00 0.00 179.45 181.47 2ror h SER 113 N 0.00 0.10 -3.02 7.07 0.87 -1.90 -3.40 113.55 113.26 2ror h SER 113 Ca 0.26 -0.44 -0.55 0.00 -1.23 0.00 0.00 61.79 59.83 2ror h SER 113 Cb 1.31 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 63.17 2ror h SER 113 CO -0.00 0.52 0.98 -0.76 -0.53 0.00 0.00 176.83 177.04 2ror s LEU 114 N -9.29 3.41 -0.25 2.23 1.43 -0.14 -4.85 118.68 111.21 2ror s LEU 114 Ca -0.15 -0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2ror s LEU 114 Cb 0.03 -3.03 0.73 0.00 0.03 0.00 0.00 46.19 43.94 2ror s LEU 114 CO 0.69 -1.55 1.67 0.47 0.23 0.00 0.00 176.35 177.86 2ror n ASP 115 N 8.61 5.06 -4.06 2.29 8.00 -1.26 -0.53 116.55 134.65 2ror n ASP 115 Ca 0.07 -2.94 -0.08 0.00 0.71 0.00 0.00 54.79 52.55 2ror n ASP 115 Cb 0.49 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ror s THR 116 N -2.66 0.19 0.42 -3.53 -1.32 -1.26 -4.83 115.64 102.63 2ror s THR 116 Ca 0.50 -1.72 0.07 0.00 -1.21 0.00 0.00 61.69 59.32 2ror s THR 116 Cb 0.39 -1.58 -0.07 0.00 -1.51 0.00 0.00 72.50 69.72 2ror s THR 116 CO 0.14 -0.85 0.05 0.28 -2.21 0.00 0.00 174.62 172.03 2ror s THR 117 N -3.93 2.02 -0.45 5.08 -1.32 -1.26 -3.20 115.64 112.57 2ror s THR 117 Ca 0.10 -1.93 -0.37 0.00 -1.21 0.00 0.00 61.69 58.28 2ror s THR 117 Cb 0.07 -2.95 -0.14 0.00 -1.51 0.00 0.00 72.50 67.97 2ror s THR 117 CO -0.08 0.00 2.23 0.18 -2.21 0.00 0.00 174.62 174.74 2ror n LEU 118 N -1.05 1.61 -0.09 9.08 4.77 -1.26 -4.81 117.00 125.26 2ror n LEU 118 Ca -0.05 0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 56.12 2ror n LEU 118 Cb 0.66 -1.15 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 2ror n LEU 118 CO 0.48 -0.79 -0.63 0.00 -1.33 0.00 0.00 177.39 175.12 2ror n GLN 119 N 8.09 0.60 -3.80 3.23 6.02 -1.00 -4.61 117.38 125.91 2ror n GLN 119 Ca 0.47 0.51 -0.13 0.00 -0.01 0.00 0.00 57.00 57.84 2ror n GLN 119 Cb 0.16 -1.73 -0.12 0.00 1.02 0.00 0.00 30.24 29.57 2ror n GLN 119 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2ror s PHE 120 N -2.40 -0.22 0.38 1.08 0.08 -1.09 -4.89 117.98 110.91 2ror s PHE 120 Ca -0.28 0.55 -0.06 0.00 0.12 0.00 0.00 56.93 57.25 2ror s PHE 120 Cb 0.07 0.06 0.09 0.00 -0.57 0.00 0.00 43.02 42.67 2ror s PHE 120 CO 0.61 -0.12 0.34 -0.35 -0.10 0.00 0.00 175.22 175.60 2ror n PRO 121 N 3.14 -1.68 -0.08 0.24 -0.04 -1.26 0.86 135.00 136.17 2ror n PRO 121 Ca -0.14 -0.54 -0.14 0.00 -0.04 0.00 0.00 63.50 62.63 2ror n PRO 121 Cb 0.58 -0.51 -0.05 0.00 -0.04 0.00 0.00 33.50 33.48 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 -1.89 0.94 0.00 0.54 3.04 -1.38 -3.38 116.94 114.81 2ror h PHE 122 Ca -0.13 -0.32 0.00 0.00 3.98 0.00 0.00 57.97 61.51 2ror h PHE 122 Cb 0.39 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.71 2ror h PHE 122 CO 0.00 1.10 -0.02 0.87 -2.02 0.00 0.00 178.31 178.24 2ror h LYS 123 N 0.51 0.00 -1.26 1.11 1.57 -1.78 -3.50 116.57 113.22 2ror h LYS 123 Ca 0.03 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.99 2ror h LYS 123 Cb 1.01 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.06 2ror h LYS 123 CO 0.10 0.00 0.80 -1.83 -0.57 0.00 0.00 179.45 177.95 2ror s GLU 124 N -1.18 0.26 0.47 3.15 1.03 -1.26 -5.12 118.70 116.05 2ror s GLU 124 Ca -0.01 0.05 -0.23 0.00 0.03 0.00 0.00 54.97 54.82 2ror s GLU 124 Cb 0.00 0.12 -0.07 0.00 -0.80 0.00 0.00 34.13 33.38 2ror s GLU 124 CO 0.01 -0.08 1.16 -1.25 -1.33 0.00 0.00 175.26 173.77 2ror s PRO 125 N -1.14 3.72 -1.06 -4.83 0.04 -1.26 -4.54 135.00 125.93 2ror s PRO 125 Ca 0.05 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 2ror s PRO 125 Cb -0.01 -2.36 0.31 0.00 0.04 0.00 0.00 34.50 32.48 2ror s PRO 125 CO -0.04 -0.58 1.52 -1.91 0.04 0.00 0.00 177.00 176.02 2ror n GLU 126 N -0.57 4.58 -2.75 4.56 2.13 -1.26 -4.79 120.64 122.54 2ror n GLU 126 Ca 0.08 -4.58 -0.16 0.00 0.66 0.00 0.00 57.16 53.15 2ror n GLU 126 Cb 0.48 -2.50 -0.03 0.00 0.27 0.00 0.00 31.44 29.67 2ror n GLU 126 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2ror n LYS 127 N 1.10 -1.34 -3.51 5.31 2.85 -1.26 -4.80 118.16 116.51 2ror n LYS 127 Ca 0.29 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 57.18 2ror n LYS 127 Cb 0.32 -2.83 -0.07 0.00 -0.65 0.00 0.00 35.03 31.80 2ror n LYS 127 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2ror s ARG 128 N -4.16 2.76 -0.23 -1.58 1.81 -1.26 -5.02 118.95 111.27 2ror s ARG 128 Ca 0.32 -2.00 -0.13 0.00 -1.72 0.00 0.00 55.73 52.20 2ror s ARG 128 Cb -0.19 -4.04 0.07 0.00 -0.45 0.00 0.00 34.95 30.35 2ror s ARG 128 CO 0.39 -1.23 0.56 0.99 -0.68 0.00 0.00 175.30 175.33 2ror s THR 129 N 0.96 -0.01 -0.24 0.02 2.01 -1.26 -5.08 115.64 112.04 2ror s THR 129 Ca 0.09 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 2ror s THR 129 Cb -0.23 -0.81 0.17 0.00 0.01 0.00 0.00 72.50 71.63 2ror s THR 129 CO -0.02 0.02 1.22 -0.51 -0.69 0.00 0.00 174.62 174.64 2ror s ILE 130 N 1.49 0.00 -0.09 1.82 2.07 -1.26 -5.16 121.20 120.07 2ror s ILE 130 Ca -0.10 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.18 2ror s ILE 130 Cb -0.07 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.53 2ror s ILE 130 CO -0.16 0.00 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.10 2ror s SER 131 N -0.92 2.84 0.08 4.50 0.15 -1.26 -5.02 113.70 114.08 2ror s SER 131 Ca 0.05 -0.50 0.08 0.00 0.70 0.00 0.00 55.95 56.28 2ror s SER 131 Cb -0.01 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.06 2ror s SER 131 CO -0.05 0.15 -0.22 -0.60 1.20 0.00 0.00 173.24 173.72 2ror s ARG 132 N 0.31 1.31 -0.04 5.44 3.52 -1.26 -5.14 118.95 123.09 2ror s ARG 132 Ca -0.16 -1.11 0.06 0.00 -0.13 0.00 0.00 55.73 54.39 2ror s ARG 132 Cb -0.17 -1.55 -0.01 0.00 -1.56 0.00 0.00 34.95 31.66 2ror s ARG 132 CO 0.07 0.38 -0.21 0.45 -0.81 0.00 0.00 175.30 175.18 2ror s SER 133 N -1.63 2.60 0.00 -2.12 0.15 -1.26 -5.09 113.70 106.36 2ror s SER 133 Ca 0.08 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2ror s SER 133 Cb -0.10 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2ror s SER 133 CO 0.03 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2ror n GLY 134 N 2.92 -0.28 3.71 9.45 0.00 -1.26 -5.15 105.19 114.59 2ror n GLY 134 Ca -0.17 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 2ror n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 135 N -2.00 1.19 0.00 1.61 0.04 -1.26 -5.07 135.00 129.51 2ror s PRO 135 Ca 0.00 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 2ror s PRO 135 Cb 0.00 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.85 2ror s PRO 135 CO 0.00 -2.28 1.26 -1.54 0.04 0.00 0.00 177.00 174.47 2ror s SER 136 N -3.42 -0.06 0.15 6.66 1.04 -1.26 -5.19 113.70 111.61 2ror s SER 136 Ca 0.64 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.78 2ror s SER 136 Cb -0.18 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.14 2ror s SER 136 CO 0.57 -0.36 0.32 -0.55 0.98 0.00 0.00 173.24 174.20 2ror s SER 137 N -3.04 -0.03 0.00 7.02 0.15 -1.26 -5.34 113.70 111.20 2ror s SER 137 Ca 0.15 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2ror s SER 137 Cb 0.04 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2ror s SER 137 CO -0.03 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.14