#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tha h PRO 11 N 0.00 0.00 -3.81 0.00 0.13 -1.90 -3.44 132.00 122.99 1tha h PRO 11 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1tha h PRO 11 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 1tha h PRO 11 CO 0.00 0.30 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.13 1tha s LEU 12 N -6.90 0.99 0.02 1.56 2.96 -1.26 -1.09 118.68 114.95 1tha s LEU 12 Ca 0.01 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1tha s LEU 12 Cb 0.10 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 1tha s LEU 12 CO 0.66 -0.21 -0.10 0.00 -1.32 0.00 0.00 176.35 175.38 1tha s MET 13 N 1.85 0.75 -0.06 1.98 0.23 -0.07 -4.51 119.30 119.47 1tha s MET 13 Ca 0.03 -0.54 0.06 0.00 -1.03 0.00 0.00 55.69 54.21 1tha s MET 13 Cb -0.14 -0.70 -0.01 0.00 -1.53 0.00 0.00 34.83 32.45 1tha s MET 13 CO -0.07 0.18 -0.25 0.08 -2.03 0.00 0.00 175.02 172.93 1tha s VAL 14 N -0.62 2.04 -0.10 5.16 1.01 -0.23 -1.30 120.40 126.36 1tha s VAL 14 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1tha s VAL 14 Cb -0.06 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1tha s VAL 14 CO 0.00 0.57 -0.10 -0.75 0.00 0.00 0.00 175.10 174.82 1tha s LYS 15 N -0.11 1.70 -0.05 2.72 2.20 -0.67 -1.10 119.74 124.43 1tha s LYS 15 Ca -0.05 -0.35 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 1tha s LYS 15 Cb -0.14 -1.61 -0.01 0.00 -1.51 0.00 0.00 37.83 34.56 1tha s LYS 15 CO 0.04 -0.17 -0.24 0.08 -0.36 0.00 0.00 175.35 174.71 1tha s VAL 16 N 1.34 1.93 0.13 4.02 1.01 0.12 -1.20 120.40 127.74 1tha s VAL 16 Ca -0.01 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.06 1tha s VAL 16 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1tha s VAL 16 CO -0.05 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.60 1tha s LEU 17 N -0.21 2.33 -0.22 3.92 1.43 -0.78 -0.95 118.68 124.21 1tha s LEU 17 Ca -0.01 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 1tha s LEU 17 Cb -0.13 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1tha s LEU 17 CO 0.03 0.10 0.01 -0.62 0.23 0.00 0.00 176.35 176.09 1tha s ASP 18 N -2.11 4.82 0.05 2.29 -1.08 0.13 -1.57 116.67 119.20 1tha s ASP 18 Ca 0.11 -0.24 0.27 0.00 -0.52 0.00 0.00 52.55 52.18 1tha s ASP 18 Cb -0.09 -1.84 0.89 0.00 -1.46 0.00 0.00 42.92 40.42 1tha s ASP 18 CO 0.06 0.02 1.71 0.00 0.52 0.00 0.00 175.17 177.48 1tha n ALA 19 N 4.52 2.68 0.09 3.66 0.00 -0.16 -1.78 120.51 129.53 1tha n ALA 19 Ca -0.17 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 1tha n ALA 19 Cb 0.51 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.46 1tha n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tha h VAL 20 N 0.00 1.15 0.00 0.00 2.07 -1.95 -3.40 116.25 114.12 1tha h VAL 20 Ca 0.00 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1tha h VAL 20 Cb 0.57 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1tha h VAL 20 CO 0.00 0.84 -0.95 0.54 0.02 0.00 0.00 177.57 178.02 1tha n ARG 21 N -3.57 1.41 -3.43 1.57 3.00 -1.24 -5.04 116.66 109.36 1tha n ARG 21 Ca -0.18 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.85 57.42 1tha n ARG 21 Cb 1.07 -1.29 0.05 0.00 0.00 0.00 0.00 32.46 32.29 1tha n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1tha n GLY 22 N 1.41 -1.11 3.41 -0.13 0.00 -0.73 -5.03 105.19 103.02 1tha n GLY 22 Ca 0.02 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 1tha n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tha s SER 23 N -3.38 -0.10 0.68 1.61 1.04 -1.23 -5.03 113.70 107.30 1tha s SER 23 Ca 0.42 -0.66 -0.16 0.00 0.48 0.00 0.00 55.95 56.03 1tha s SER 23 Cb -0.10 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1tha s SER 23 CO 0.80 -0.95 1.20 -2.84 0.98 0.00 0.00 173.24 172.43 1tha s PRO 24 N -3.91 2.45 -0.48 4.02 0.02 -1.26 0.22 135.00 136.06 1tha s PRO 24 Ca 0.12 1.76 -0.19 0.00 0.02 0.00 0.00 61.00 62.71 1tha s PRO 24 Cb 0.01 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.71 1tha s PRO 24 CO -0.03 -1.59 0.57 0.00 -0.33 0.00 0.00 177.00 175.62 1tha s ALA 25 N -1.88 3.40 0.00 -1.55 0.00 -0.13 -4.52 121.76 117.09 1tha s ALA 25 Ca 0.75 -1.66 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 1tha s ALA 25 Cb -0.29 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1tha s ALA 25 CO 0.41 -1.87 0.47 0.42 0.00 0.00 0.00 175.76 175.20 1tha s ILE 26 N 2.47 4.96 -1.37 0.00 1.01 -1.26 -4.28 121.20 122.73 1tha s ILE 26 Ca 0.14 0.99 -0.08 0.00 0.00 0.00 0.00 60.65 61.70 1tha s ILE 26 Cb -0.19 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1tha s ILE 26 CO 0.13 0.52 1.09 0.59 0.00 0.00 0.00 174.94 177.27 1tha n ASN 27 N 2.15 -5.15 -4.67 3.58 3.02 -0.78 -4.97 115.26 108.44 1tha n ASN 27 Ca -0.11 -0.62 -0.41 0.00 -0.03 0.00 0.00 54.58 53.41 1tha n ASN 27 Cb 0.52 -4.76 -0.05 0.00 -0.61 0.00 0.00 39.78 34.88 1tha n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tha s VAL 28 N -3.34 4.97 0.31 2.41 1.01 -1.26 -4.79 120.40 119.70 1tha s VAL 28 Ca 0.49 1.40 -0.27 0.00 0.00 0.00 0.00 61.98 63.59 1tha s VAL 28 Cb -0.22 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1tha s VAL 28 CO 0.76 0.09 0.97 0.00 0.00 0.00 0.00 175.10 176.92 1tha s ALA 29 N 1.88 3.25 -0.02 5.51 0.00 -1.26 -1.86 121.76 129.26 1tha s ALA 29 Ca 0.34 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.92 1tha s ALA 29 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1tha s ALA 29 CO 0.12 0.10 -0.03 0.08 0.00 0.00 0.00 175.76 176.03 1tha s VAL 30 N -1.46 0.37 -0.12 0.00 1.01 -0.48 0.01 120.40 119.73 1tha s VAL 30 Ca 0.48 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1tha s VAL 30 Cb -0.22 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1tha s VAL 30 CO 0.28 0.16 -0.17 -1.00 0.00 0.00 0.00 175.10 174.36 1tha s HIS 31 N 0.54 2.23 -0.13 5.22 3.76 -0.86 -0.77 115.29 125.28 1tha s HIS 31 Ca -0.06 -1.10 -0.02 0.00 -0.15 0.00 0.00 55.06 53.73 1tha s HIS 31 Cb -0.09 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1tha s HIS 31 CO -0.00 -0.55 -0.07 0.08 -0.85 0.00 0.00 174.74 173.35 1tha s VAL 32 N 0.99 3.65 0.20 -0.90 1.01 0.72 -1.62 120.40 124.44 1tha s VAL 32 Ca -0.05 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.57 1tha s VAL 32 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1tha s VAL 32 CO -0.03 0.53 -0.22 -0.36 0.00 0.00 0.00 175.10 175.02 1tha s PHE 33 N 0.06 2.15 -0.05 5.22 0.40 -0.20 -0.33 117.98 125.23 1tha s PHE 33 Ca -0.02 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1tha s PHE 33 Cb -0.14 -1.04 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 1tha s PHE 33 CO 0.03 0.49 -0.20 0.50 0.70 0.00 0.00 175.22 176.74 1tha s ARG 34 N -2.87 2.10 -0.05 0.44 3.52 -0.32 -1.33 118.95 120.45 1tha s ARG 34 Ca 0.21 -0.71 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 1tha s ARG 34 Cb -0.07 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1tha s ARG 34 CO 0.10 0.27 1.22 0.21 -0.81 0.00 0.00 175.30 176.29 1tha s LYS 35 N 0.03 4.34 0.79 5.12 2.47 0.08 -0.87 119.74 131.71 1tha s LYS 35 Ca -0.05 1.71 -0.10 0.00 -1.56 0.00 0.00 55.97 55.96 1tha s LYS 35 Cb -0.13 -3.56 0.09 0.00 -1.46 0.00 0.00 37.83 32.78 1tha s LYS 35 CO 0.03 -0.46 1.13 0.00 0.16 0.00 0.00 175.35 176.21 1tha s ALA 36 N 2.22 2.82 0.28 3.13 0.00 0.63 -4.75 121.76 126.09 1tha s ALA 36 Ca 0.57 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 1tha s ALA 36 Cb -0.25 -2.77 0.43 0.00 0.00 0.00 0.00 23.12 20.53 1tha s ALA 36 CO 0.23 -1.63 1.91 0.00 0.00 0.00 0.00 175.76 176.26 1tha h ALA 37 N -0.95 1.43 -0.07 0.00 0.00 -1.94 0.31 119.26 118.04 1tha h ALA 37 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1tha h ALA 37 Cb 1.31 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1tha h ALA 37 CO 0.59 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 1tha n ASP 38 N -4.47 0.46 -2.97 0.00 5.75 -1.26 -4.85 116.55 109.20 1tha n ASP 38 Ca 0.14 -2.00 -0.17 0.00 -0.01 0.00 0.00 54.79 52.74 1tha n ASP 38 Cb 0.15 -0.07 0.07 0.00 -1.03 0.00 0.00 41.12 40.24 1tha n ASP 38 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1tha n ASP 39 N -0.26 -4.10 -4.51 -1.12 2.03 0.11 -5.04 116.55 103.65 1tha n ASP 39 Ca 0.03 -0.46 -0.29 0.00 0.52 0.00 0.00 54.79 54.59 1tha n ASP 39 Cb 0.08 -4.17 -0.11 0.00 -0.72 0.00 0.00 41.12 36.20 1tha n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1tha s THR 40 N -3.27 2.96 -0.38 5.18 -1.32 -1.24 -4.83 115.64 112.74 1tha s THR 40 Ca 0.28 -1.54 -0.25 0.00 -1.21 0.00 0.00 61.69 58.96 1tha s THR 40 Cb -0.12 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.49 1tha s THR 40 CO 0.59 0.04 0.90 0.26 -2.21 0.00 0.00 174.62 174.19 1tha s TRP 41 N -1.32 3.06 -0.14 9.09 0.52 -1.26 0.23 118.94 129.12 1tha s TRP 41 Ca 0.20 0.67 -0.08 0.00 0.02 0.00 0.00 56.10 56.90 1tha s TRP 41 Cb -0.10 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.52 1tha s TRP 41 CO 0.12 -0.85 0.15 -1.21 0.02 0.00 0.00 176.95 175.18 1tha s GLU 42 N 3.45 3.69 0.16 4.98 2.02 -0.05 -4.88 118.70 128.08 1tha s GLU 42 Ca 0.37 -0.12 -0.33 0.00 0.02 0.00 0.00 54.97 54.90 1tha s GLU 42 Cb -0.12 -3.26 -0.13 0.00 0.10 0.00 0.00 34.13 30.72 1tha s GLU 42 CO 0.20 0.63 1.67 -2.30 0.02 0.00 0.00 175.26 175.47 1tha n PRO 43 N 2.45 2.45 -0.04 0.39 -0.02 -1.26 -1.17 135.00 137.79 1tha n PRO 43 Ca -0.18 0.88 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 1tha n PRO 43 Cb 0.54 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 1tha n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tha n PHE 44 N 3.96 0.00 -3.57 6.00 7.35 0.55 -4.84 117.46 126.91 1tha n PHE 44 Ca 0.17 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.80 1tha n PHE 44 Cb 0.32 -0.34 -0.02 0.00 0.35 0.00 0.00 39.48 39.79 1tha n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tha s ALA 45 N -2.18 -1.86 0.04 3.13 0.00 -0.95 -5.00 121.76 114.94 1tha s ALA 45 Ca -0.12 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 1tha s ALA 45 Cb 0.03 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1tha s ALA 45 CO 0.20 -0.75 0.27 -1.12 0.00 0.00 0.00 175.76 174.36 1tha s SER 46 N -2.53 -0.07 -0.06 0.00 0.01 -1.26 -0.20 113.70 109.58 1tha s SER 46 Ca 0.07 -0.23 -0.20 0.00 1.31 0.00 0.00 55.95 56.90 1tha s SER 46 Cb -0.01 0.33 0.06 0.00 0.21 0.00 0.00 66.02 66.62 1tha s SER 46 CO -0.06 -0.58 0.90 0.61 0.41 0.00 0.00 173.24 174.51 1tha n GLY 47 N 0.67 0.19 3.03 3.44 0.00 0.05 -4.97 105.19 107.60 1tha n GLY 47 Ca -0.19 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 1tha n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tha s LYS 48 N -2.00 0.74 0.46 1.61 1.02 -1.26 -1.38 119.74 118.94 1tha s LYS 48 Ca 0.21 -0.38 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 1tha s LYS 48 Cb -0.00 -0.71 -0.07 0.00 -0.52 0.00 0.00 37.83 36.52 1tha s LYS 48 CO -0.02 0.19 1.26 0.95 -0.92 0.00 0.00 175.35 176.82 1tha s THR 49 N -0.31 2.66 0.37 2.17 -4.23 -0.78 -4.72 115.64 110.81 1tha s THR 49 Ca 0.03 0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 61.03 1tha s THR 49 Cb -0.04 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1tha s THR 49 CO -0.00 0.02 0.51 -1.54 -0.54 0.00 0.00 174.62 173.07 1tha n SER 50 N -0.43 0.33 -0.17 3.99 3.41 -0.26 -1.86 113.62 118.64 1tha n SER 50 Ca 0.07 -1.36 0.16 0.00 -0.26 0.00 0.00 58.87 57.48 1tha n SER 50 Cb 0.46 -0.36 0.51 0.00 -0.26 0.00 0.00 64.21 64.55 1tha n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tha h GLU 51 N 0.00 0.39 -0.50 4.33 3.07 -1.92 0.16 114.58 120.11 1tha h GLU 51 Ca -0.17 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1tha h GLU 51 Cb 0.53 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1tha h GLU 51 CO 0.15 0.26 0.00 -1.13 -1.40 0.00 0.00 179.01 176.88 1tha n SER 52 N -4.48 3.12 -0.49 1.42 3.41 -1.26 -4.82 113.62 110.53 1tha n SER 52 Ca 0.15 -1.97 -0.06 0.00 -0.26 0.00 0.00 58.87 56.73 1tha n SER 52 Cb 0.55 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1tha n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tha n GLY 53 N 1.44 0.85 3.63 5.00 0.00 0.57 -4.83 105.19 111.86 1tha n GLY 53 Ca 0.20 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1tha n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tha s GLU 54 N -2.57 2.43 -0.15 1.61 2.02 -1.26 0.13 118.70 120.91 1tha s GLU 54 Ca 0.00 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 1tha s GLU 54 Cb 0.00 -2.47 0.05 0.00 0.10 0.00 0.00 34.13 31.81 1tha s GLU 54 CO 0.00 0.55 -0.00 -1.17 0.02 0.00 0.00 175.26 174.65 1tha s LEU 55 N -2.04 1.20 0.29 1.80 2.96 -0.26 -1.10 118.68 121.53 1tha s LEU 55 Ca 0.22 -0.59 0.11 0.00 -0.22 0.00 0.00 54.13 53.65 1tha s LEU 55 Cb -0.11 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 45.85 1tha s LEU 55 CO 0.14 -0.23 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.84 1tha s HIS 56 N 1.80 2.47 -0.96 5.38 3.76 -1.26 -1.06 115.29 125.41 1tha s HIS 56 Ca 0.01 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1tha s HIS 56 Cb -0.15 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.39 1tha s HIS 56 CO -0.07 0.65 0.00 0.41 -0.85 0.00 0.00 174.74 174.88 1tha n GLY 57 N -0.77 0.40 0.16 -2.22 0.00 -1.26 -4.95 105.19 96.55 1tha n GLY 57 Ca -0.05 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1tha n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tha h LEU 58 N 0.00 0.45 0.00 0.99 3.38 -1.90 -3.48 115.31 114.75 1tha h LEU 58 Ca -0.23 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 1tha h LEU 58 Cb 1.00 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1tha h LEU 58 CO 0.30 0.58 -0.09 1.07 0.09 0.00 0.00 178.44 180.38 1tha n THR 59 N -4.66 0.00 -4.50 0.22 5.66 -1.26 -4.84 114.28 104.90 1tha n THR 59 Ca -0.02 -1.31 -0.24 0.00 -3.05 0.00 0.00 64.05 59.42 1tha n THR 59 Cb 0.19 0.83 -0.10 0.00 -1.55 0.00 0.00 70.33 69.70 1tha n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tha s THR 60 N -2.70 2.27 0.27 1.09 -4.23 -1.26 -4.66 115.64 106.43 1tha s THR 60 Ca 0.21 -2.28 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1tha s THR 60 Cb -0.01 -2.47 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1tha s THR 60 CO 0.15 -0.31 1.87 -0.08 -0.54 0.00 0.00 174.62 175.71 1tha h GLU 61 N 2.17 1.09 -0.60 3.99 4.81 -2.00 -1.61 114.58 122.42 1tha h GLU 61 Ca -0.41 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1tha h GLU 61 Cb 1.25 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1tha h GLU 61 CO 0.66 0.72 0.32 0.93 -0.73 0.00 0.00 179.01 180.91 1tha h GLU 62 N 1.13 0.84 0.00 1.92 3.07 -2.04 -3.10 114.58 116.39 1tha h GLU 62 Ca 0.45 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 59.06 1tha h GLU 62 Cb 0.26 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1tha h GLU 62 CO -0.20 0.65 -0.71 1.96 -1.40 0.00 0.00 179.01 179.31 1tha h GLN 63 N 0.81 0.00 -4.21 2.33 4.20 -1.90 -3.39 115.11 112.95 1tha h GLN 63 Ca 0.21 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 58.19 1tha h GLN 63 Cb 0.06 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.72 1tha h GLN 63 CO -0.03 0.71 2.15 0.34 -0.67 0.00 0.00 178.83 181.32 1tha n PHE 64 N -3.68 3.76 -2.20 2.96 7.35 -0.63 -4.94 117.46 120.08 1tha n PHE 64 Ca -0.01 -2.97 -0.27 0.00 -0.76 0.00 0.00 57.45 53.44 1tha n PHE 64 Cb 0.69 -2.23 0.14 0.00 0.35 0.00 0.00 39.48 38.44 1tha n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1tha s VAL 65 N 1.78 2.08 0.31 -2.13 -7.23 -1.26 -4.93 120.40 109.02 1tha s VAL 65 Ca 0.44 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.07 1tha s VAL 65 Cb 0.07 -2.83 -0.10 0.00 0.56 0.00 0.00 36.38 34.08 1tha s VAL 65 CO -0.01 0.00 1.42 -0.70 -0.31 0.00 0.00 175.10 175.51 1tha s GLU 66 N -5.54 4.24 0.00 4.82 2.12 -1.26 -4.77 118.70 118.31 1tha s GLU 66 Ca 0.69 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.39 1tha s GLU 66 Cb -0.05 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.28 1tha s GLU 66 CO 0.49 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1tha n GLY 67 N 1.31 -1.09 3.36 -1.50 0.00 -1.03 -5.02 105.19 101.23 1tha n GLY 67 Ca 0.03 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1tha n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tha s ILE 68 N -3.00 3.47 0.15 -0.61 1.01 -1.26 -1.04 121.20 119.92 1tha s ILE 68 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.25 1tha s ILE 68 Cb 0.00 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1tha s ILE 68 CO 0.00 0.45 -0.09 -0.31 0.00 0.00 0.00 174.94 174.99 1tha s TYR 69 N 1.10 2.68 -0.11 3.97 1.51 -0.54 -0.74 117.35 125.23 1tha s TYR 69 Ca 0.01 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1tha s TYR 69 Cb -0.15 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1tha s TYR 69 CO -0.00 0.48 -0.10 0.21 -1.11 0.00 0.00 175.55 175.02 1tha s LYS 70 N -2.63 1.78 -0.26 -0.62 2.20 -0.44 -1.93 119.74 117.84 1tha s LYS 70 Ca 0.24 -0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 55.41 1tha s LYS 70 Cb -0.10 -1.69 -0.01 0.00 -1.51 0.00 0.00 37.83 34.52 1tha s LYS 70 CO 0.15 -0.20 0.05 0.08 -0.36 0.00 0.00 175.35 175.07 1tha s VAL 71 N 1.43 3.99 -0.18 4.02 1.01 -0.13 -1.03 120.40 129.51 1tha s VAL 71 Ca 0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1tha s VAL 71 Cb -0.13 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1tha s VAL 71 CO -0.06 0.26 0.01 -1.61 0.00 0.00 0.00 175.10 173.70 1tha s GLU 72 N 1.55 3.73 -0.16 2.72 2.02 -0.64 0.28 118.70 128.19 1tha s GLU 72 Ca 0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 1tha s GLU 72 Cb -0.16 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1tha s GLU 72 CO 0.02 0.15 -0.07 0.42 0.02 0.00 0.00 175.26 175.79 1tha s ILE 73 N 0.65 3.46 -1.34 -1.63 1.01 0.16 -2.03 121.20 121.48 1tha s ILE 73 Ca -0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 1tha s ILE 73 Cb -0.14 -2.51 0.09 0.00 0.01 0.00 0.00 42.46 39.91 1tha s ILE 73 CO 0.02 0.49 1.89 -0.67 0.00 0.00 0.00 174.94 176.66 1tha n ASP 74 N 3.86 4.63 0.02 3.58 2.03 0.10 -2.03 116.55 128.75 1tha n ASP 74 Ca -0.18 -2.93 -0.04 0.00 0.52 0.00 0.00 54.79 52.16 1tha n ASP 74 Cb 0.52 -1.65 0.20 0.00 -0.72 0.00 0.00 41.12 39.47 1tha n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tha h THR 75 N 4.59 1.27 -0.50 5.18 1.35 -1.86 -3.23 112.91 119.72 1tha h THR 75 Ca 0.46 -1.32 0.07 0.00 -0.55 0.00 0.00 66.41 65.07 1tha h THR 75 Cb 0.75 1.41 -0.06 0.00 -1.73 0.00 0.00 68.15 68.52 1tha h THR 75 CO 1.60 0.42 0.17 0.50 -0.25 0.00 0.00 175.52 177.96 1tha h LYS 76 N 0.40 0.34 -0.31 4.72 3.64 -1.74 -2.74 116.57 120.87 1tha h LYS 76 Ca 0.06 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1tha h LYS 76 Cb 0.71 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1tha h LYS 76 CO 0.05 0.22 -0.07 0.77 -2.27 0.00 0.00 179.45 178.15 1tha h SER 77 N 0.35 0.48 0.26 4.20 0.02 -1.87 -2.49 113.55 114.50 1tha h SER 77 Ca 0.24 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1tha h SER 77 Cb 0.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1tha h SER 77 CO -0.25 0.60 -0.13 0.22 -1.14 0.00 0.00 176.83 176.14 1tha h TYR 78 N 0.47 -0.33 -0.67 3.45 3.20 -1.53 -2.80 116.97 118.76 1tha h TYR 78 Ca 0.09 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1tha h TYR 78 Cb 0.42 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1tha h TYR 78 CO 0.01 -0.04 0.27 -1.49 -1.64 0.00 0.00 178.16 175.28 1tha h TRP 79 N -0.61 1.02 -0.48 -3.82 4.06 -1.52 -2.72 115.95 111.88 1tha h TRP 79 Ca -0.04 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 60.86 1tha h TRP 79 Cb 0.44 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 1tha h TRP 79 CO 0.01 0.80 0.28 0.87 -3.56 0.00 0.00 178.44 176.84 1tha h LYS 80 N 0.96 0.54 -0.59 0.49 1.79 -1.09 -1.21 116.57 117.46 1tha h LYS 80 Ca 0.23 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.75 1tha h LYS 80 Cb 0.20 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1tha h LYS 80 CO -0.02 0.36 0.39 0.00 -1.08 0.00 0.00 179.45 179.10 1tha h ALA 81 N 1.22 1.96 0.00 3.86 0.00 -1.29 -0.66 119.26 124.35 1tha h ALA 81 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1tha h ALA 81 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1tha h ALA 81 CO -0.10 -0.08 -0.16 1.28 0.00 0.00 0.00 179.25 180.19 1tha n LEU 82 N -4.47 0.46 0.00 0.00 4.77 -0.54 -4.93 117.00 112.29 1tha n LEU 82 Ca 0.09 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1tha n LEU 82 Cb 0.33 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1tha n LEU 82 CO 0.34 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1tha n GLY 83 N 1.41 0.86 3.79 -0.72 0.00 -0.25 -5.08 105.19 105.20 1tha n GLY 83 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1tha n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tha s ILE 84 N -2.00 4.69 -0.40 -0.61 1.01 -0.73 -5.00 121.20 118.16 1tha s ILE 84 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1tha s ILE 84 Cb 0.00 -3.22 0.09 0.00 0.01 0.00 0.00 42.46 39.34 1tha s ILE 84 CO 0.00 0.21 0.21 -0.55 0.00 0.00 0.00 174.94 174.81 1tha s SER 85 N -2.16 5.39 0.75 3.58 0.15 -1.26 -2.43 113.70 117.72 1tha s SER 85 Ca 0.27 -1.74 -0.08 0.00 0.70 0.00 0.00 55.95 55.11 1tha s SER 85 Cb -0.12 -1.89 0.09 0.00 -1.71 0.00 0.00 66.02 62.39 1tha s SER 85 CO 0.20 -0.52 1.07 -2.16 1.20 0.00 0.00 173.24 173.03 1tha s PRO 86 N 1.28 1.88 -0.14 5.44 0.04 -1.26 -4.99 135.00 137.24 1tha s PRO 86 Ca 0.04 -0.34 -0.27 0.00 0.04 0.00 0.00 61.00 60.47 1tha s PRO 86 Cb -0.23 -2.12 -0.25 0.00 0.04 0.00 0.00 34.50 31.94 1tha s PRO 86 CO -0.01 -1.47 0.68 0.35 0.04 0.00 0.00 177.00 176.59 1tha h PHE 87 N -0.79 0.05 -4.03 0.56 3.57 -1.74 -3.48 116.94 111.08 1tha h PHE 87 Ca -0.44 -0.04 -0.46 0.00 3.53 0.00 0.00 57.97 60.57 1tha h PHE 87 Cb 1.30 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1tha h PHE 87 CO 0.05 1.12 0.37 -1.01 -2.23 0.00 0.00 178.31 176.60 1tha s HIS 88 N -2.26 3.22 0.08 0.41 3.76 -1.26 -4.98 115.29 114.25 1tha s HIS 88 Ca -0.20 1.62 -0.06 0.00 -0.15 0.00 0.00 55.06 56.27 1tha s HIS 88 Cb -0.01 -2.98 -0.27 0.00 1.11 0.00 0.00 32.58 30.43 1tha s HIS 88 CO 0.69 -0.43 1.15 0.93 -0.85 0.00 0.00 174.74 176.22 1tha h GLU 89 N 1.98 0.33 -1.84 1.40 4.39 -1.99 -3.38 114.58 115.48 1tha h GLU 89 Ca -0.49 -0.53 0.29 0.00 0.34 0.00 0.00 59.36 58.97 1tha h GLU 89 Cb 1.20 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.95 1tha h GLU 89 CO 0.61 1.24 0.77 -3.38 -1.16 0.00 0.00 179.01 177.09 1tha s HIS 90 N -2.74 -0.03 -0.16 4.33 -3.43 -1.26 -3.75 115.29 108.25 1tha s HIS 90 Ca -0.05 -0.14 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 1tha s HIS 90 Cb 0.07 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.78 1tha s HIS 90 CO 0.89 -0.42 -0.07 0.00 -2.00 0.00 0.00 174.74 173.13 1tha s ALA 91 N -2.42 2.81 -0.05 -1.38 0.00 -0.86 -4.89 121.76 114.97 1tha s ALA 91 Ca 0.18 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1tha s ALA 91 Cb 0.02 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1tha s ALA 91 CO -0.01 0.06 -0.17 -2.00 0.00 0.00 0.00 175.76 173.64 1tha s GLU 92 N 0.65 2.45 -0.13 0.00 2.12 -1.26 0.40 118.70 122.94 1tha s GLU 92 Ca -0.04 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.55 1tha s GLU 92 Cb -0.15 -2.31 0.02 0.00 0.26 0.00 0.00 34.13 31.95 1tha s GLU 92 CO 0.02 0.59 -0.15 0.08 -0.54 0.00 0.00 175.26 175.26 1tha s VAL 93 N -0.65 1.55 -0.15 3.70 1.01 0.14 -4.96 120.40 121.05 1tha s VAL 93 Ca 0.10 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1tha s VAL 93 Cb -0.11 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1tha s VAL 93 CO 0.00 0.45 -0.22 -0.69 0.00 0.00 0.00 175.10 174.65 1tha s VAL 94 N 1.22 2.05 0.12 2.92 1.01 -1.26 -0.96 120.40 125.50 1tha s VAL 94 Ca -0.01 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1tha s VAL 94 Cb -0.14 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1tha s VAL 94 CO -0.06 0.55 0.36 0.72 0.00 0.00 0.00 175.10 176.67 1tha s PHE 95 N 0.90 -0.13 -0.05 5.22 -0.71 -0.81 -5.02 117.98 117.38 1tha s PHE 95 Ca -0.05 -0.21 -0.17 0.00 -1.04 0.00 0.00 56.93 55.46 1tha s PHE 95 Cb -0.15 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.81 1tha s PHE 95 CO -0.04 -0.68 0.47 0.99 -1.34 0.00 0.00 175.22 174.62 1tha s THR 96 N -3.82 5.07 0.14 -4.49 2.01 -1.26 -1.47 115.64 111.82 1tha s THR 96 Ca 0.04 0.95 0.09 0.00 0.31 0.00 0.00 61.69 63.08 1tha s THR 96 Cb 0.02 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1tha s THR 96 CO -0.11 0.44 -0.20 0.00 -0.69 0.00 0.00 174.62 174.06 1tha s ALA 97 N -0.18 2.01 -1.08 7.40 0.00 -0.21 -4.80 121.76 124.90 1tha s ALA 97 Ca 0.26 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1tha s ALA 97 Cb -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1tha s ALA 97 CO 0.12 0.31 0.00 0.09 0.00 0.00 0.00 175.76 176.29 1tha n ASN 98 N 0.59 -3.98 -0.04 0.00 3.02 -1.26 -2.45 115.26 111.13 1tha n ASN 98 Ca -0.15 0.19 0.15 0.00 -0.03 0.00 0.00 54.58 54.73 1tha n ASN 98 Cb 0.56 -3.38 0.79 0.00 -0.61 0.00 0.00 39.78 37.13 1tha n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1tha n ASP 99 N -1.81 0.15 -2.86 6.41 5.75 -1.26 -3.59 116.55 119.33 1tha n ASP 99 Ca -0.15 -0.57 -0.13 0.00 -0.01 0.00 0.00 54.79 53.93 1tha n ASP 99 Cb 0.61 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 40.57 1tha n ASP 99 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tha n SER 100 N -1.07 1.30 0.00 -1.12 3.41 -1.26 -5.08 113.62 109.80 1tha n SER 100 Ca 0.18 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.94 1tha n SER 100 Cb 0.21 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1tha n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tha n GLY 101 N 0.06 -1.23 3.73 5.00 0.00 -1.24 -4.97 105.19 106.55 1tha n GLY 101 Ca 0.16 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1tha n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tha s PRO 102 N -2.65 4.18 0.37 1.61 0.02 -1.26 -4.40 135.00 132.87 1tha s PRO 102 Ca 0.00 2.45 0.04 0.00 0.02 0.00 0.00 61.00 63.51 1tha s PRO 102 Cb 0.00 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.38 1tha s PRO 102 CO 0.00 -0.62 0.12 1.03 -0.33 0.00 0.00 177.00 177.21 1tha s ARG 103 N 0.57 1.81 -0.09 5.54 1.81 -1.26 -4.42 118.95 122.90 1tha s ARG 103 Ca 0.68 -2.07 -0.01 0.00 -1.72 0.00 0.00 55.73 52.61 1tha s ARG 103 Cb -0.46 -0.55 -0.03 0.00 -0.45 0.00 0.00 34.95 33.47 1tha s ARG 103 CO 0.37 -0.42 -0.04 1.03 -0.68 0.00 0.00 175.30 175.55 1tha s ARG 104 N -3.77 2.96 -0.09 3.54 0.52 0.26 -4.88 118.95 117.50 1tha s ARG 104 Ca 0.29 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 1tha s ARG 104 Cb 0.04 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1tha s ARG 104 CO 0.15 0.61 -0.21 0.71 0.02 0.00 0.00 175.30 176.58 1tha s TYR 105 N -0.64 2.27 -0.16 -0.53 2.02 -0.25 -0.38 117.35 119.68 1tha s TYR 105 Ca 0.10 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.90 1tha s TYR 105 Cb -0.12 -1.54 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 1tha s TYR 105 CO 0.02 -0.37 -0.18 0.95 -1.57 0.00 0.00 175.55 174.39 1tha s THR 106 N 0.40 1.90 -0.24 -0.71 -4.23 -0.52 -0.89 115.64 111.35 1tha s THR 106 Ca -0.17 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1tha s THR 106 Cb -0.17 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1tha s THR 106 CO 0.07 0.52 0.09 -0.63 -0.54 0.00 0.00 174.62 174.13 1tha s ILE 107 N 1.26 4.63 0.04 2.99 1.09 -0.42 -1.87 121.20 128.92 1tha s ILE 107 Ca 0.03 -0.07 0.06 0.00 -1.10 0.00 0.00 60.65 59.56 1tha s ILE 107 Cb -0.13 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 1tha s ILE 107 CO -0.10 0.35 -0.12 0.00 -0.10 0.00 0.00 174.94 174.97 1tha s ALA 108 N 1.32 2.83 0.00 9.38 0.00 -0.69 -1.67 121.76 132.93 1tha s ALA 108 Ca 0.05 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.89 1tha s ALA 108 Cb -0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1tha s ALA 108 CO 0.04 0.60 -0.05 0.00 0.00 0.00 0.00 175.76 176.36 1tha s ALA 109 N -1.01 0.39 -0.18 0.00 0.00 -0.34 -2.01 121.76 118.60 1tha s ALA 109 Ca 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1tha s ALA 109 Cb -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1tha s ALA 109 CO 0.08 0.08 -0.19 -1.17 0.00 0.00 0.00 175.76 174.56 1tha s LEU 110 N -0.23 2.17 -0.07 0.00 2.96 -0.35 -1.86 118.68 121.30 1tha s LEU 110 Ca 0.01 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1tha s LEU 110 Cb -0.02 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1tha s LEU 110 CO -0.00 0.01 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.16 1tha s LEU 111 N 1.25 2.89 0.17 -0.68 1.43 -0.61 -0.56 118.68 122.57 1tha s LEU 111 Ca 0.04 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1tha s LEU 111 Cb -0.13 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1tha s LEU 111 CO -0.11 0.33 -0.04 -0.44 0.23 0.00 0.00 176.35 176.31 1tha s SER 112 N -0.60 1.58 0.28 2.29 0.01 0.84 -0.99 113.70 117.11 1tha s SER 112 Ca 0.09 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.23 1tha s SER 112 Cb -0.11 0.04 0.46 0.00 0.21 0.00 0.00 66.02 66.61 1tha s SER 112 CO 0.01 -0.46 1.88 -0.65 0.41 0.00 0.00 173.24 174.44 1tha h PRO 113 N 2.69 1.09 -0.27 12.44 0.11 -1.99 -2.90 132.00 143.17 1tha h PRO 113 Ca -0.37 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1tha h PRO 113 Cb 1.20 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1tha h PRO 113 CO 0.64 0.72 0.00 0.66 -0.21 0.00 0.00 178.00 179.81 1tha n TYR 114 N -4.51 0.36 -3.56 0.65 4.02 -1.26 -1.87 117.16 110.99 1tha n TYR 114 Ca 0.15 -0.36 -0.11 0.00 -0.01 0.00 0.00 57.90 57.57 1tha n TYR 114 Cb 0.21 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 1tha n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1tha s SER 115 N -1.00 -0.40 0.02 7.72 1.04 -1.10 -4.97 113.70 115.02 1tha s SER 115 Ca 0.22 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.24 1tha s SER 115 Cb 0.12 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1tha s SER 115 CO 0.16 -0.96 0.44 -0.72 0.98 0.00 0.00 173.24 173.14 1tha s TYR 116 N -3.80 -0.32 0.07 5.02 -0.85 -1.26 -0.11 117.35 116.10 1tha s TYR 116 Ca 0.03 0.39 0.06 0.00 -0.52 0.00 0.00 57.07 57.03 1tha s TYR 116 Cb -0.00 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1tha s TYR 116 CO -0.10 -0.54 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.70 1tha s SER 117 N -1.71 1.81 -0.02 -0.18 1.04 0.28 -4.98 113.70 109.93 1tha s SER 117 Ca -0.08 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.73 1tha s SER 117 Cb -0.02 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1tha s SER 117 CO 0.01 -0.03 0.05 0.28 0.98 0.00 0.00 173.24 174.53 1tha s THR 118 N -1.18 0.02 0.09 2.02 -1.32 -1.26 -1.21 115.64 112.80 1tha s THR 118 Ca -0.00 -0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.30 1tha s THR 118 Cb -0.10 -0.13 -0.03 0.00 -1.51 0.00 0.00 72.50 70.73 1tha s THR 118 CO 0.02 -0.08 0.06 0.28 -2.21 0.00 0.00 174.62 172.69 1tha s THR 119 N -0.23 0.16 0.06 5.08 -1.32 -0.85 -5.01 115.64 113.52 1tha s THR 119 Ca -0.03 -1.69 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 1tha s THR 119 Cb -0.02 -1.66 -0.03 0.00 -1.51 0.00 0.00 72.50 69.29 1tha s THR 119 CO 0.00 -0.73 -0.15 0.00 -2.21 0.00 0.00 174.62 171.53 1tha s ALA 120 N -3.95 1.30 -0.21 11.08 0.00 -1.26 -1.71 121.76 127.01 1tha s ALA 120 Ca 0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 1tha s ALA 120 Cb 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1tha s ALA 120 CO -0.06 0.24 -0.10 0.08 0.00 0.00 0.00 175.76 175.92 1tha s VAL 121 N -1.01 2.83 -0.13 0.00 1.01 -0.78 -4.98 120.40 117.33 1tha s VAL 121 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1tha s VAL 121 Cb -0.09 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1tha s VAL 121 CO 0.02 0.41 -0.16 -0.69 0.00 0.00 0.00 175.10 174.68 1tha s VAL 122 N 1.38 2.70 0.11 2.92 1.01 -1.26 -1.44 120.40 125.82 1tha s VAL 122 Ca 0.04 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1tha s VAL 122 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1tha s VAL 122 CO -0.07 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.49 1tha s THR 123 N 0.46 1.57 -0.28 3.92 2.01 0.48 -4.96 115.64 118.84 1tha s THR 123 Ca -0.12 -1.58 -0.17 0.00 0.31 0.00 0.00 61.69 60.14 1tha s THR 123 Cb -0.16 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1tha s THR 123 CO 0.05 -0.18 0.45 0.21 -0.69 0.00 0.00 174.62 174.47 1tha s ASN 124 N -2.06 6.33 0.97 3.53 2.47 -1.26 -0.57 114.94 124.34 1tha s ASN 124 Ca 0.07 0.29 -0.13 0.00 0.42 0.00 0.00 52.86 53.50 1tha s ASN 124 Cb -0.09 -2.25 0.03 0.00 -1.45 0.00 0.00 41.25 37.50 1tha s ASN 124 CO 0.04 -0.28 0.30 -2.65 -3.72 0.00 0.00 177.10 170.79 1tha n PRO 125 N 5.49 -0.39 -2.68 0.43 -0.02 -1.26 -4.96 135.00 131.61 1tha n PRO 125 Ca -0.06 -0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.01 1tha n PRO 125 Cb 0.50 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 1tha n PRO 125 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1tha s LYS 126 N -3.53 4.02 0.00 -0.52 1.02 -1.26 -5.14 119.74 114.33 1tha s LYS 126 Ca 0.56 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.77 1tha s LYS 126 Cb -0.20 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1tha s LYS 126 CO 0.68 -0.22 0.37 0.39 -0.92 0.00 0.00 175.35 175.65