#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3y n LEU 12 N 0.00 0.87 -4.45 4.31 -0.00 -1.26 -4.77 117.00 111.70 1a3y n LEU 12 Ca 0.00 -0.44 -0.34 0.00 -0.00 0.00 0.00 56.01 55.23 1a3y n LEU 12 Cb 0.00 -0.44 -0.13 0.00 -0.00 0.00 0.00 43.42 42.86 1a3y n LEU 12 CO 0.00 0.22 -0.37 -0.55 -0.00 0.00 0.00 177.39 176.69 1a3y s SER 13 N -0.13 4.64 0.00 1.45 0.15 -1.26 -4.87 113.70 113.68 1a3y s SER 13 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1a3y s SER 13 Cb 0.00 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1a3y s SER 13 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1a3y n GLY 14 N 3.76 -0.69 3.75 9.45 0.00 -0.97 -5.03 105.19 115.46 1a3y n GLY 14 Ca -0.17 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1a3y n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3y s LYS 15 N -1.38 4.82 -0.05 1.61 -2.85 -1.26 -1.46 119.74 119.18 1a3y s LYS 15 Ca 0.00 1.50 -0.02 0.00 -1.00 0.00 0.00 55.97 56.45 1a3y s LYS 15 Cb 0.00 -3.29 0.03 0.00 -2.06 0.00 0.00 37.83 32.51 1a3y s LYS 15 CO 0.00 0.45 0.08 -1.58 0.10 0.00 0.00 175.35 174.40 1a3y s TRP 16 N -0.98 -0.03 -0.01 1.78 0.52 -1.10 -4.73 118.94 114.40 1a3y s TRP 16 Ca 0.42 0.31 -0.01 0.00 0.02 0.00 0.00 56.10 56.84 1a3y s TRP 16 Cb -0.26 -0.29 -0.04 0.00 -1.15 0.00 0.00 33.47 31.73 1a3y s TRP 16 CO 0.32 -0.16 0.12 0.42 0.02 0.00 0.00 176.95 177.66 1a3y s ILE 17 N 1.64 4.98 0.30 2.03 -1.09 -0.07 -2.75 121.20 126.24 1a3y s ILE 17 Ca -0.03 -0.31 -0.28 0.00 -2.23 0.00 0.00 60.65 57.81 1a3y s ILE 17 Cb -0.12 -3.29 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 1a3y s ILE 17 CO -0.04 0.35 1.05 -0.89 -1.23 0.00 0.00 174.94 174.18 1a3y s THR 18 N -1.23 3.69 -0.01 2.92 2.01 -1.26 0.12 115.64 121.88 1a3y s THR 18 Ca 0.24 1.58 -0.02 0.00 0.31 0.00 0.00 61.69 63.79 1a3y s THR 18 Cb -0.12 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1a3y s THR 18 CO 0.15 0.28 -0.04 -1.20 -0.69 0.00 0.00 174.62 173.12 1a3y n SER 19 N 0.89 0.41 -4.31 3.53 7.64 -0.25 -4.08 113.62 117.45 1a3y n SER 19 Ca 0.00 0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.78 1a3y n SER 19 Cb 0.47 -0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1a3y n SER 19 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1a3y s TYR 20 N -1.39 1.53 -0.07 1.43 1.51 -1.24 0.83 117.35 119.95 1a3y s TYR 20 Ca -0.04 -0.68 -0.07 0.00 -1.01 0.00 0.00 57.07 55.28 1a3y s TYR 20 Cb 0.01 -0.76 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1a3y s TYR 20 CO 0.06 0.22 0.19 0.42 -1.11 0.00 0.00 175.55 175.32 1a3y s ILE 21 N -3.15 0.00 -0.04 2.71 1.01 -0.75 -1.97 121.20 119.02 1a3y s ILE 21 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.89 1a3y s ILE 21 Cb 0.01 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1a3y s ILE 21 CO 0.05 -0.00 -0.13 -0.83 0.00 0.00 0.00 174.94 174.03 1a3y s GLY 22 N 0.10 0.72 0.08 6.18 0.00 -0.51 -0.95 107.32 112.94 1a3y s GLY 22 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.27 1a3y s GLY 22 CO 0.00 -0.19 -0.12 -0.45 0.00 0.00 0.00 173.10 172.35 1a3y s SER 23 N 0.16 1.48 0.00 1.64 0.15 -0.65 -1.07 113.70 115.42 1a3y s SER 23 Ca -0.04 -0.69 0.29 0.00 0.70 0.00 0.00 55.95 56.21 1a3y s SER 23 Cb -0.10 -0.02 1.18 0.00 -1.71 0.00 0.00 66.02 65.37 1a3y s SER 23 CO 0.01 -0.17 1.85 -1.54 1.20 0.00 0.00 173.24 174.60 1a3y n SER 24 N 1.01 0.26 -3.80 5.45 3.41 -0.58 -4.37 113.62 114.99 1a3y n SER 24 Ca -0.19 -0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 57.98 1a3y n SER 24 Cb 0.56 -0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.17 1a3y n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a3y s ASP 25 N -2.72 3.67 0.60 4.04 -1.08 -1.26 -4.96 116.67 114.97 1a3y s ASP 25 Ca 0.22 -1.29 0.37 0.00 -0.52 0.00 0.00 52.55 51.33 1a3y s ASP 25 Cb 0.19 -0.90 1.90 0.00 -1.46 0.00 0.00 42.92 42.66 1a3y s ASP 25 CO 0.52 -0.33 2.20 0.25 0.52 0.00 0.00 175.17 178.33 1a3y h LEU 26 N 8.08 0.00 0.00 -1.34 5.85 -1.93 -2.76 115.31 123.21 1a3y h LEU 26 Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1a3y h LEU 26 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1a3y h LEU 26 CO 0.42 0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 177.92 1a3y n GLU 27 N -3.26 0.70 -0.04 1.25 4.71 -1.26 -3.35 120.64 119.38 1a3y n GLU 27 Ca -0.02 0.01 -0.03 0.00 -0.01 0.00 0.00 57.16 57.11 1a3y n GLU 27 Cb 0.17 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.96 1a3y n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1a3y n LYS 28 N -1.06 0.66 -0.24 3.49 4.76 -1.04 -4.28 118.16 120.45 1a3y n LYS 28 Ca 0.17 0.05 0.09 0.00 -2.87 0.00 0.00 58.31 55.76 1a3y n LYS 28 Cb 0.11 -1.63 0.22 0.00 -1.84 0.00 0.00 35.03 31.89 1a3y n LYS 28 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1a3y n ILE 29 N -2.73 0.79 -1.03 -0.18 -5.35 -1.21 -2.25 119.36 107.41 1a3y n ILE 29 Ca -0.20 -0.90 -0.30 0.00 -0.27 0.00 0.00 62.75 61.09 1a3y n ILE 29 Cb 0.95 0.68 0.24 0.00 -1.74 0.00 0.00 39.64 39.77 1a3y n ILE 29 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1a3y s GLY 30 N -1.12 1.57 0.55 3.28 0.00 -1.22 -4.53 107.32 105.85 1a3y s GLY 30 Ca 0.36 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.99 1a3y s GLY 30 CO 0.26 -0.01 1.26 1.85 0.00 0.00 0.00 173.10 176.46 1a3y s GLU 31 N -5.33 3.17 -1.23 2.90 2.56 -1.26 -2.18 118.70 117.33 1a3y s GLU 31 Ca 0.70 1.97 0.00 0.00 0.00 0.00 0.00 54.97 57.64 1a3y s GLU 31 Cb -0.11 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 33.88 1a3y s GLU 31 CO 0.56 -1.09 0.00 0.09 -0.56 0.00 0.00 175.26 174.27 1a3y n ASN 32 N -1.18 -5.73 -4.93 -1.70 4.13 -1.26 -4.96 115.26 99.62 1a3y n ASN 32 Ca 0.11 0.29 -0.29 0.00 1.68 0.00 0.00 54.58 56.37 1a3y n ASN 32 Cb 0.48 -4.26 -0.04 0.00 -1.54 0.00 0.00 39.78 34.42 1a3y n ASN 32 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a3y s ALA 33 N -1.98 3.98 0.22 5.41 0.00 -0.93 -4.76 121.76 123.70 1a3y s ALA 33 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1a3y s ALA 33 Cb 0.00 -1.83 0.30 0.00 0.00 0.00 0.00 23.12 21.59 1a3y s ALA 33 CO 0.00 0.69 1.78 -1.00 0.00 0.00 0.00 175.76 177.23 1a3y h PRO 34 N 2.65 0.57 -0.38 0.00 0.13 -1.87 -2.93 132.00 130.17 1a3y h PRO 34 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1a3y h PRO 34 Cb 1.18 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a3y h PRO 34 CO 0.73 0.38 0.00 1.19 -0.23 0.00 0.00 178.00 180.06 1a3y n PHE 35 N -4.87 0.44 -2.49 1.56 3.01 -0.96 -4.38 117.46 109.77 1a3y n PHE 35 Ca 0.10 -0.20 -0.43 0.00 1.01 0.00 0.00 57.45 57.93 1a3y n PHE 35 Cb 0.25 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1a3y n PHE 35 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1a3y n GLN 36 N 0.28 3.41 -3.34 -1.08 7.27 -1.11 -4.73 117.38 118.08 1a3y n GLN 36 Ca 0.09 -3.50 -0.38 0.00 0.07 0.00 0.00 57.00 53.28 1a3y n GLN 36 Cb 0.30 -3.06 -0.07 0.00 2.41 0.00 0.00 30.24 29.82 1a3y n GLN 36 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1a3y s VAL 37 N 1.45 5.18 -1.02 1.69 1.01 -1.26 -4.49 120.40 122.96 1a3y s VAL 37 Ca 0.43 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.18 1a3y s VAL 37 Cb 0.06 -3.78 0.25 0.00 0.00 0.00 0.00 36.38 32.91 1a3y s VAL 37 CO 0.00 0.27 0.97 -0.36 0.00 0.00 0.00 175.10 175.98 1a3y s PHE 38 N 1.10 4.12 0.60 5.22 0.40 -0.50 -4.72 117.98 124.19 1a3y s PHE 38 Ca 0.22 -2.84 -0.18 0.00 -0.60 0.00 0.00 56.93 53.53 1a3y s PHE 38 Cb -0.15 -3.59 -0.09 0.00 0.51 0.00 0.00 43.02 39.71 1a3y s PHE 38 CO 0.09 -0.86 0.39 -0.12 0.70 0.00 0.00 175.22 175.42 1a3y n MET 39 N 2.53 0.38 0.00 0.44 1.56 -1.26 -2.38 117.12 118.39 1a3y n MET 39 Ca 0.23 0.15 0.00 0.00 -0.27 0.00 0.00 57.70 57.81 1a3y n MET 39 Cb 0.38 -1.60 0.00 0.00 2.15 0.00 0.00 33.22 34.16 1a3y n MET 39 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1a3y n ARG 40 N 0.13 0.10 -3.51 2.12 5.12 0.86 -4.23 116.66 117.25 1a3y n ARG 40 Ca 0.10 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.85 1a3y n ARG 40 Cb 0.48 -0.77 -0.06 0.00 -1.16 0.00 0.00 32.46 30.96 1a3y n ARG 40 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1a3y s SER 41 N -3.47 -0.64 -0.06 0.55 1.04 -0.61 -2.70 113.70 107.80 1a3y s SER 41 Ca 0.00 0.64 -0.03 0.00 0.48 0.00 0.00 55.95 57.04 1a3y s SER 41 Cb 0.00 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.70 1a3y s SER 41 CO 0.00 -0.64 0.11 -0.63 0.98 0.00 0.00 173.24 173.07 1a3y s ILE 42 N -1.44 -0.19 -0.11 -1.02 1.01 -0.53 -1.09 121.20 117.82 1a3y s ILE 42 Ca -0.10 0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.96 1a3y s ILE 42 Cb -0.00 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1a3y s ILE 42 CO 0.07 0.16 -0.19 -0.70 0.00 0.00 0.00 174.94 174.28 1a3y s GLU 43 N 2.19 3.19 -0.45 2.79 2.12 -0.16 -2.29 118.70 126.09 1a3y s GLU 43 Ca 0.03 -0.79 -0.09 0.00 0.36 0.00 0.00 54.97 54.48 1a3y s GLU 43 Cb -0.12 -2.45 0.10 0.00 0.26 0.00 0.00 34.13 31.93 1a3y s GLU 43 CO -0.05 0.19 0.31 -0.06 -0.54 0.00 0.00 175.26 175.12 1a3y s PHE 44 N 0.36 3.40 -0.58 5.30 0.08 -1.26 -0.04 117.98 125.24 1a3y s PHE 44 Ca -0.15 -1.75 -0.23 0.00 0.12 0.00 0.00 56.93 54.92 1a3y s PHE 44 Cb -0.17 -3.30 0.05 0.00 -0.57 0.00 0.00 43.02 39.03 1a3y s PHE 44 CO 0.07 -0.94 0.90 0.34 -0.10 0.00 0.00 175.22 175.49 1a3y s ASP 45 N 2.47 6.27 0.05 1.36 -1.08 -0.29 -4.90 116.67 120.56 1a3y s ASP 45 Ca 0.05 -0.65 -0.15 0.00 -0.52 0.00 0.00 52.55 51.28 1a3y s ASP 45 Cb -0.25 -2.41 -0.28 0.00 -1.46 0.00 0.00 42.92 38.52 1a3y s ASP 45 CO 0.00 -1.25 1.12 0.44 0.52 0.00 0.00 175.17 176.00 1a3y h ASP 46 N 9.35 0.88 -0.01 -0.34 3.32 -1.97 -0.06 116.42 127.59 1a3y h ASP 46 Ca -0.27 -0.81 0.02 0.00 0.02 0.00 0.00 57.03 56.00 1a3y h ASP 46 Cb 1.08 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1a3y h ASP 46 CO 1.10 1.59 -0.14 0.11 -1.72 0.00 0.00 179.24 180.18 1a3y h LYS 47 N 0.28 -0.22 -0.01 3.56 1.79 -1.96 -2.77 116.57 117.24 1a3y h LYS 47 Ca -0.17 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1a3y h LYS 47 Cb 1.86 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.56 1a3y h LYS 47 CO 0.23 -0.15 -0.03 0.39 -1.08 0.00 0.00 179.45 178.81 1a3y n GLU 48 N -5.27 1.33 -3.21 3.15 1.02 -1.26 -4.98 120.64 111.42 1a3y n GLU 48 Ca -0.05 -0.61 -0.06 0.00 -0.02 0.00 0.00 57.16 56.42 1a3y n GLU 48 Cb 0.19 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.14 1a3y n GLU 48 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1a3y n SER 49 N -0.31 -7.18 -3.77 1.62 2.88 -0.85 -5.00 113.62 101.02 1a3y n SER 49 Ca 0.19 -0.30 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 1a3y n SER 49 Cb 0.28 -4.72 -0.03 0.00 -0.75 0.00 0.00 64.21 59.00 1a3y n SER 49 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1a3y s LYS 50 N -3.54 1.59 0.03 -1.46 1.02 -0.10 -3.33 119.74 113.95 1a3y s LYS 50 Ca 0.07 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.20 1a3y s LYS 50 Cb -0.01 0.57 -0.02 0.00 -0.52 0.00 0.00 37.83 37.85 1a3y s LYS 50 CO 0.77 -0.71 -0.12 0.54 -0.92 0.00 0.00 175.35 174.92 1a3y s VAL 51 N -3.89 0.90 -0.19 3.17 0.11 0.50 -1.14 120.40 119.86 1a3y s VAL 51 Ca 0.10 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1a3y s VAL 51 Cb -0.04 -0.84 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1a3y s VAL 51 CO 0.02 -0.05 -0.07 -0.31 -3.33 0.00 0.00 175.10 171.36 1a3y s TYR 52 N -0.84 2.13 -0.13 1.54 2.02 0.94 -0.75 117.35 122.26 1a3y s TYR 52 Ca -0.01 -1.43 -0.05 0.00 -0.37 0.00 0.00 57.07 55.21 1a3y s TYR 52 Cb -0.07 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 1a3y s TYR 52 CO 0.01 -0.70 0.06 -0.51 -1.57 0.00 0.00 175.55 172.83 1a3y s LEU 53 N 1.49 3.86 -0.14 -1.29 2.01 -0.85 -0.99 118.68 122.77 1a3y s LEU 53 Ca -0.02 0.20 -0.02 0.00 0.01 0.00 0.00 54.13 54.31 1a3y s LEU 53 Cb -0.16 -1.93 0.04 0.00 0.01 0.00 0.00 46.19 44.15 1a3y s LEU 53 CO -0.08 0.31 -0.01 0.21 1.01 0.00 0.00 176.35 177.80 1a3y s ASN 54 N -0.46 2.40 0.25 2.29 3.04 -0.25 -1.17 114.94 121.04 1a3y s ASN 54 Ca 0.10 -0.50 -0.06 0.00 0.04 0.00 0.00 52.86 52.44 1a3y s ASN 54 Cb -0.12 -0.64 0.02 0.00 -1.54 0.00 0.00 41.25 38.97 1a3y s ASN 54 CO 0.02 -0.22 0.44 2.22 -3.04 0.00 0.00 177.10 176.52 1a3y n PHE 55 N 5.03 -1.56 -4.48 0.43 1.16 -0.69 -0.10 117.46 117.25 1a3y n PHE 55 Ca -0.09 -1.42 -0.23 0.00 -1.87 0.00 0.00 57.45 53.84 1a3y n PHE 55 Cb 0.48 0.51 -0.11 0.00 -1.61 0.00 0.00 39.48 38.76 1a3y n PHE 55 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1a3y s PHE 56 N -4.03 2.12 0.22 2.97 0.08 -1.00 -0.56 117.98 117.77 1a3y s PHE 56 Ca 0.15 -0.72 -0.05 0.00 0.12 0.00 0.00 56.93 56.43 1a3y s PHE 56 Cb -0.02 -1.30 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1a3y s PHE 56 CO 0.11 0.29 0.37 0.45 -0.10 0.00 0.00 175.22 176.34 1a3y n SER 57 N -0.70 -1.05 -3.90 1.36 2.88 -0.95 -1.41 113.62 109.85 1a3y n SER 57 Ca -0.05 -2.01 -0.11 0.00 -1.33 0.00 0.00 58.87 55.38 1a3y n SER 57 Cb 0.65 1.83 -0.11 0.00 -0.75 0.00 0.00 64.21 65.83 1a3y n SER 57 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1a3y s LYS 58 N -2.26 0.34 -0.09 -1.46 1.02 -1.26 -1.76 119.74 114.27 1a3y s LYS 58 Ca 0.13 -0.35 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 1a3y s LYS 58 Cb -0.02 0.14 0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1a3y s LYS 58 CO 0.10 -0.07 0.20 -1.21 -0.92 0.00 0.00 175.35 173.45 1a3y s GLU 59 N -1.08 0.15 -1.58 1.68 2.02 -0.79 -4.20 118.70 114.90 1a3y s GLU 59 Ca -0.12 0.49 -0.11 0.00 0.02 0.00 0.00 54.97 55.25 1a3y s GLU 59 Cb -0.07 -0.15 0.09 0.00 0.10 0.00 0.00 34.13 34.10 1a3y s GLU 59 CO 0.00 -0.18 0.64 0.09 0.02 0.00 0.00 175.26 175.83 1a3y n ASN 60 N 4.37 -2.15 0.00 -0.19 3.02 -1.26 -0.92 115.26 118.13 1a3y n ASN 60 Ca -0.23 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1a3y n ASN 60 Cb 0.52 -2.90 0.00 0.00 -0.61 0.00 0.00 39.78 36.79 1a3y n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a3y n GLY 61 N -1.68 1.39 3.87 7.41 0.00 -1.26 -5.00 105.19 109.92 1a3y n GLY 61 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1a3y n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a3y s ILE 62 N -2.68 5.35 0.37 -0.61 -5.25 -0.10 -5.08 121.20 113.19 1a3y s ILE 62 Ca 0.00 -0.01 -0.22 0.00 -0.99 0.00 0.00 60.65 59.43 1a3y s ILE 62 Cb 0.00 -3.40 -0.10 0.00 2.95 0.00 0.00 42.46 41.91 1a3y s ILE 62 CO 0.00 0.48 0.91 0.00 -1.79 0.00 0.00 174.94 174.54 1a3y s GLU 64 N -2.74 0.08 0.25 0.00 2.02 -0.72 -4.97 118.70 112.63 1a3y s GLU 64 Ca 0.56 0.28 -0.27 0.00 0.02 0.00 0.00 54.97 55.57 1a3y s GLU 64 Cb -0.13 -0.57 -0.09 0.00 0.10 0.00 0.00 34.13 33.45 1a3y s GLU 64 CO 0.17 -0.29 0.89 -2.00 0.02 0.00 0.00 175.26 174.05 1a3y s GLU 65 N 1.92 4.67 -0.03 1.61 2.12 -1.26 -2.23 118.70 125.50 1a3y s GLU 65 Ca 0.02 1.32 0.02 0.00 0.36 0.00 0.00 54.97 56.70 1a3y s GLU 65 Cb -0.12 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.16 1a3y s GLU 65 CO -0.03 0.46 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.01 1a3y s PHE 66 N -1.32 0.82 -0.28 5.30 0.40 0.27 -4.99 117.98 118.18 1a3y s PHE 66 Ca 0.43 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 1a3y s PHE 66 Cb -0.23 -0.63 0.08 0.00 0.51 0.00 0.00 43.02 42.75 1a3y s PHE 66 CO 0.28 -0.12 -0.00 -1.12 0.70 0.00 0.00 175.22 174.95 1a3y s SER 67 N 0.42 4.22 0.25 1.36 0.01 -1.26 -1.70 113.70 117.00 1a3y s SER 67 Ca -0.06 -1.57 0.07 0.00 1.31 0.00 0.00 55.95 55.70 1a3y s SER 67 Cb -0.10 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1a3y s SER 67 CO 0.00 -0.30 0.14 -0.76 0.41 0.00 0.00 173.24 172.74 1a3y s LEU 68 N 1.25 3.67 -0.07 2.44 1.43 -0.32 -4.98 118.68 122.10 1a3y s LEU 68 Ca 0.01 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1a3y s LEU 68 Cb -0.19 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1a3y s LEU 68 CO -0.10 -0.02 -0.10 -0.63 0.23 0.00 0.00 176.35 175.73 1a3y s ILE 69 N -2.14 1.02 0.22 -0.59 1.01 -1.26 -2.00 121.20 117.47 1a3y s ILE 69 Ca 0.32 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.69 1a3y s ILE 69 Cb -0.08 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1a3y s ILE 69 CO 0.24 0.34 -0.19 -0.83 0.00 0.00 0.00 174.94 174.49 1a3y s GLY 70 N 0.88 1.66 -0.06 6.18 0.00 0.07 -4.61 107.32 111.43 1a3y s GLY 70 Ca -0.11 -1.71 0.05 0.00 0.00 0.00 0.00 44.72 42.95 1a3y s GLY 70 CO 0.01 -1.78 -0.20 -0.51 0.00 0.00 0.00 173.10 170.62 1a3y s THR 71 N -2.36 2.54 0.46 0.90 -4.23 -0.75 -0.37 115.64 111.83 1a3y s THR 71 Ca 0.24 -0.90 -0.24 0.00 -1.18 0.00 0.00 61.69 59.61 1a3y s THR 71 Cb -0.05 -1.97 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 1a3y s THR 71 CO 0.11 0.57 1.28 -0.54 -0.54 0.00 0.00 174.62 175.50 1a3y s LYS 72 N -0.35 3.70 0.00 3.99 1.02 -1.21 -2.10 119.74 124.78 1a3y s LYS 72 Ca 0.03 2.07 0.00 0.00 0.02 0.00 0.00 55.97 58.09 1a3y s LYS 72 Cb -0.12 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1a3y s LYS 72 CO 0.02 -0.69 0.00 0.94 -0.92 0.00 0.00 175.35 174.70 1a3y n GLN 73 N -0.34 2.73 -1.92 1.68 -0.06 -0.14 -4.92 117.38 114.42 1a3y n GLN 73 Ca 0.06 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.64 1a3y n GLN 73 Cb 0.45 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.60 1a3y n GLN 73 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1a3y s GLU 74 N 1.00 3.58 0.00 3.69 2.12 -1.26 -4.55 118.70 123.29 1a3y s GLU 74 Ca 0.00 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.14 1a3y s GLU 74 Cb 0.00 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.22 1a3y s GLU 74 CO 0.00 -1.57 0.00 0.41 -0.54 0.00 0.00 175.26 173.56 1a3y n GLY 75 N 5.08 0.94 0.13 -1.50 0.00 -1.26 -4.09 105.19 104.48 1a3y n GLY 75 Ca 0.22 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1a3y n GLY 75 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1a3y n ASN 76 N 0.00 1.70 -4.80 1.61 2.85 -1.26 -5.06 115.26 110.30 1a3y n ASN 76 Ca 0.00 -2.53 -0.36 0.00 -0.11 0.00 0.00 54.58 51.58 1a3y n ASN 76 Cb 0.00 -0.27 -0.06 0.00 1.24 0.00 0.00 39.78 40.68 1a3y n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1a3y s THR 77 N -1.79 4.41 0.02 -0.44 2.01 -1.26 -4.26 115.64 114.34 1a3y s THR 77 Ca 0.18 1.51 0.06 0.00 0.31 0.00 0.00 61.69 63.75 1a3y s THR 77 Cb 0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1a3y s THR 77 CO 0.02 0.13 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.58 1a3y s TYR 78 N -1.62 1.67 -0.16 4.92 1.51 -0.17 -0.96 117.35 122.54 1a3y s TYR 78 Ca 0.48 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1a3y s TYR 78 Cb -0.17 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1a3y s TYR 78 CO 0.22 0.05 -0.05 0.34 -1.11 0.00 0.00 175.55 174.99 1a3y s ASP 79 N -0.93 4.65 -0.13 2.29 2.15 -0.89 -1.94 116.67 121.86 1a3y s ASP 79 Ca 0.06 -0.18 -0.12 0.00 0.43 0.00 0.00 52.55 52.75 1a3y s ASP 79 Cb -0.08 -1.75 0.04 0.00 -0.30 0.00 0.00 42.92 40.82 1a3y s ASP 79 CO 0.01 0.16 0.35 0.54 -0.17 0.00 0.00 175.17 176.06 1a3y s VAL 80 N 0.43 -0.00 -0.07 1.11 0.11 -1.08 -1.81 120.40 119.09 1a3y s VAL 80 Ca -0.05 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.83 1a3y s VAL 80 Cb -0.14 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1a3y s VAL 80 CO 0.03 0.01 0.51 0.20 -3.33 0.00 0.00 175.10 172.52 1a3y s ASN 81 N 0.33 6.80 -0.30 3.54 0.01 -1.26 -1.41 114.94 122.65 1a3y s ASN 81 Ca -0.01 0.95 -0.18 0.00 -0.71 0.00 0.00 52.86 52.91 1a3y s ASN 81 Cb -0.03 -2.31 0.17 0.00 0.41 0.00 0.00 41.25 39.49 1a3y s ASN 81 CO -0.01 0.07 1.23 -0.47 -1.51 0.00 0.00 177.10 176.41 1a3y s TYR 82 N 0.17 -0.11 -1.47 2.20 5.04 -1.26 -4.91 117.35 117.00 1a3y s TYR 82 Ca 0.28 0.13 -0.09 0.00 -2.44 0.00 0.00 57.07 54.95 1a3y s TYR 82 Cb -0.16 0.04 0.06 0.00 0.35 0.00 0.00 41.96 42.25 1a3y s TYR 82 CO 0.13 -0.06 0.83 0.00 -1.34 0.00 0.00 175.55 175.11 1a3y n ALA 83 N 5.36 -1.56 0.00 3.97 0.00 -1.26 -4.63 120.51 122.39 1a3y n ALA 83 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1a3y n ALA 83 Cb 0.55 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.59 1a3y n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3y n GLY 84 N -1.67 -0.13 3.67 0.00 0.00 -1.26 -4.44 105.19 101.37 1a3y n GLY 84 Ca -0.08 -2.27 -0.39 0.00 0.00 0.00 0.00 46.02 43.27 1a3y n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a3y s ASN 85 N -2.44 6.55 0.22 1.61 2.47 -0.77 -4.50 114.94 118.08 1a3y s ASN 85 Ca 0.00 0.66 0.09 0.00 0.42 0.00 0.00 52.86 54.03 1a3y s ASN 85 Cb 0.00 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.48 1a3y s ASN 85 CO 0.00 -0.13 -0.04 0.20 -3.72 0.00 0.00 177.10 173.42 1a3y s ASN 86 N 1.04 4.49 -0.29 -4.21 -0.87 -0.50 -1.25 114.94 113.35 1a3y s ASN 86 Ca 0.23 -0.57 -0.01 0.00 -1.57 0.00 0.00 52.86 50.94 1a3y s ASN 86 Cb -0.15 -0.83 0.13 0.00 -0.02 0.00 0.00 41.25 40.37 1a3y s ASN 86 CO 0.09 0.06 0.28 -0.54 -2.57 0.00 0.00 177.10 174.42 1a3y s LYS 87 N -3.23 0.31 0.38 -0.60 1.02 -0.76 -2.63 119.74 114.24 1a3y s LYS 87 Ca 0.28 -0.15 0.08 0.00 0.02 0.00 0.00 55.97 56.20 1a3y s LYS 87 Cb -0.08 -0.71 -0.05 0.00 -0.52 0.00 0.00 37.83 36.47 1a3y s LYS 87 CO 0.18 -1.01 0.13 -0.59 -0.92 0.00 0.00 175.35 173.14 1a3y s PHE 88 N 2.34 2.61 0.03 3.18 -0.71 -0.82 -1.72 117.98 122.90 1a3y s PHE 88 Ca 0.09 -0.52 0.01 0.00 -1.04 0.00 0.00 56.93 55.47 1a3y s PHE 88 Cb -0.14 -1.79 -0.02 0.00 -1.21 0.00 0.00 43.02 39.85 1a3y s PHE 88 CO -0.32 0.28 -0.05 0.08 -1.34 0.00 0.00 175.22 173.87 1a3y s VAL 89 N -2.55 0.27 -1.03 -2.49 1.01 0.33 -1.00 120.40 114.94 1a3y s VAL 89 Ca 0.39 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 1a3y s VAL 89 Cb 0.02 -0.38 0.20 0.00 0.00 0.00 0.00 36.38 36.22 1a3y s VAL 89 CO 0.22 -0.43 1.12 -0.69 0.00 0.00 0.00 175.10 175.33 1a3y s VAL 90 N -1.35 5.38 0.27 2.92 1.01 -1.26 -1.35 120.40 126.01 1a3y s VAL 90 Ca -0.13 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.25 1a3y s VAL 90 Cb -0.09 -4.70 0.25 0.00 0.00 0.00 0.00 36.38 31.84 1a3y s VAL 90 CO -0.00 -1.34 1.79 0.28 0.00 0.00 0.00 175.10 175.82 1a3y h SER 91 N 7.52 0.67 -4.46 3.32 0.02 -1.43 -3.43 113.55 115.75 1a3y h SER 91 Ca 0.20 0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 61.04 1a3y h SER 91 Cb 0.94 -0.04 -0.24 0.00 0.14 0.00 0.00 62.40 63.21 1a3y h SER 91 CO 1.04 0.31 -0.63 -0.47 -1.14 0.00 0.00 176.83 175.93 1a3y s TYR 92 N -5.96 0.08 -0.23 3.45 5.04 -1.01 -4.99 117.35 113.72 1a3y s TYR 92 Ca -0.12 -0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.32 1a3y s TYR 92 Cb 0.22 -0.07 0.12 0.00 0.35 0.00 0.00 41.96 42.58 1a3y s TYR 92 CO 0.79 -0.14 0.39 0.00 -1.34 0.00 0.00 175.55 175.25 1a3y s ALA 93 N -0.82 -1.14 0.00 3.97 0.00 -1.26 -1.13 121.76 121.37 1a3y s ALA 93 Ca -0.09 1.10 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1a3y s ALA 93 Cb -0.05 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1a3y s ALA 93 CO -0.00 -1.12 0.00 -1.13 0.00 0.00 0.00 175.76 173.51 1a3y n SER 94 N 5.37 1.60 0.09 0.00 3.41 -0.50 -5.03 113.62 118.56 1a3y n SER 94 Ca -0.05 -0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.18 1a3y n SER 94 Cb 0.50 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 1a3y n SER 94 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1a3y h GLU 95 N 0.00 0.20 0.00 4.33 5.08 -2.01 -3.36 114.58 118.82 1a3y h GLU 95 Ca 0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1a3y h GLU 95 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1a3y h GLU 95 CO 0.00 1.15 -1.32 0.25 -1.00 0.00 0.00 179.01 178.09 1a3y n THR 96 N -3.47 0.17 -3.99 1.13 -2.24 -1.26 -4.95 114.28 99.67 1a3y n THR 96 Ca -0.07 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1a3y n THR 96 Cb 1.01 0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 1a3y n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a3y s ALA 97 N -3.30 0.19 -0.23 6.98 0.00 -1.26 -4.34 121.76 119.80 1a3y s ALA 97 Ca -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1a3y s ALA 97 Cb 0.14 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.98 1a3y s ALA 97 CO 0.84 -0.52 0.21 -1.17 0.00 0.00 0.00 175.76 175.12 1a3y s LEU 98 N -2.94 0.01 -0.22 0.00 2.96 -1.15 -1.41 118.68 115.93 1a3y s LEU 98 Ca 0.12 -0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 1a3y s LEU 98 Cb 0.06 0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.94 1a3y s LEU 98 CO -0.05 -0.36 0.33 -0.63 -1.32 0.00 0.00 176.35 174.32 1a3y s ILE 99 N 2.28 5.24 -0.11 6.68 1.01 -0.29 -1.19 121.20 134.83 1a3y s ILE 99 Ca 0.07 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.29 1a3y s ILE 99 Cb -0.15 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1a3y s ILE 99 CO -0.20 0.27 -0.19 -0.63 0.00 0.00 0.00 174.94 174.19 1a3y s ILE 100 N 1.28 2.49 -0.14 2.92 1.01 -0.29 -1.01 121.20 127.46 1a3y s ILE 100 Ca 0.16 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1a3y s ILE 100 Cb -0.14 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1a3y s ILE 100 CO 0.07 0.55 0.06 -0.44 0.00 0.00 0.00 174.94 175.18 1a3y s SER 101 N 0.33 5.68 0.01 3.58 0.01 -0.46 -1.21 113.70 121.64 1a3y s SER 101 Ca -0.15 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1a3y s SER 101 Cb -0.17 -1.85 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1a3y s SER 101 CO 0.08 0.28 -0.02 0.21 0.41 0.00 0.00 173.24 174.19 1a3y s ASN 102 N -0.28 0.23 -0.23 2.44 2.47 0.09 -0.51 114.94 119.15 1a3y s ASN 102 Ca 0.08 -0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.13 1a3y s ASN 102 Cb -0.12 0.03 0.05 0.00 -1.45 0.00 0.00 41.25 39.76 1a3y s ASN 102 CO 0.02 -0.13 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.52 1a3y s ILE 103 N -0.69 2.00 -0.14 -5.21 1.01 -0.70 -0.19 121.20 117.28 1a3y s ILE 103 Ca -0.07 -1.38 -0.05 0.00 0.00 0.00 0.00 60.65 59.15 1a3y s ILE 103 Cb -0.05 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1a3y s ILE 103 CO -0.00 0.09 0.04 0.21 0.00 0.00 0.00 174.94 175.28 1a3y s ASN 104 N 1.21 5.50 -0.38 3.58 3.84 -0.43 -1.83 114.94 126.43 1a3y s ASN 104 Ca -0.05 0.13 0.02 0.00 0.21 0.00 0.00 52.86 53.16 1a3y s ASN 104 Cb -0.18 -1.80 0.11 0.00 -0.55 0.00 0.00 41.25 38.84 1a3y s ASN 104 CO -0.07 0.27 0.15 -0.69 -2.79 0.00 0.00 177.10 173.97 1a3y s VAL 105 N -0.23 1.49 0.00 -5.21 1.01 -0.38 -1.31 120.40 115.77 1a3y s VAL 105 Ca 0.07 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.92 1a3y s VAL 105 Cb -0.12 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1a3y s VAL 105 CO 0.02 -0.74 0.00 -0.90 0.00 0.00 0.00 175.10 173.48 1a3y n ASP 106 N 4.16 -0.83 0.19 3.32 5.68 -1.24 -1.84 116.55 126.00 1a3y n ASP 106 Ca 0.03 -0.55 -0.17 0.00 -0.50 0.00 0.00 54.79 53.60 1a3y n ASP 106 Cb 0.39 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.27 1a3y n ASP 106 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1a3y h GLU 107 N 0.00 -0.81 0.00 0.11 5.08 -1.93 -2.14 114.58 114.89 1a3y h GLU 107 Ca 0.00 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1a3y h GLU 107 Cb 0.00 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1a3y h GLU 107 CO 0.00 -0.54 0.05 0.39 -1.00 0.00 0.00 179.01 177.91 1a3y n GLU 108 N -5.52 0.01 -0.88 2.33 4.71 -1.26 -4.76 120.64 115.27 1a3y n GLU 108 Ca -0.10 0.47 0.00 0.00 -0.01 0.00 0.00 57.16 57.52 1a3y n GLU 108 Cb 0.43 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 1a3y n GLU 108 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1a3y n GLY 109 N -1.44 0.48 3.56 0.62 0.00 -0.81 -5.00 105.19 102.61 1a3y n GLY 109 Ca -0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1a3y n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a3y s ASP 110 N -2.65 6.33 0.23 1.61 1.11 -1.26 -4.85 116.67 117.19 1a3y s ASP 110 Ca 0.00 -0.14 -0.30 0.00 0.18 0.00 0.00 52.55 52.29 1a3y s ASP 110 Cb 0.00 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.36 1a3y s ASP 110 CO 0.00 -1.59 1.11 -0.75 1.18 0.00 0.00 175.17 175.11 1a3y s LYS 111 N 5.15 4.61 -0.03 8.23 2.20 -1.26 -3.59 119.74 135.05 1a3y s LYS 111 Ca 0.39 1.78 0.01 0.00 -0.36 0.00 0.00 55.97 57.78 1a3y s LYS 111 Cb -0.08 -3.23 0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1a3y s LYS 111 CO 0.21 0.14 -0.01 0.99 -0.36 0.00 0.00 175.35 176.32 1a3y s THR 112 N -0.72 0.29 0.00 3.43 2.01 -0.42 -4.99 115.64 115.23 1a3y s THR 112 Ca 0.47 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.36 1a3y s THR 112 Cb -0.31 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 1a3y s THR 112 CO 0.38 0.17 0.38 -0.63 -0.69 0.00 0.00 174.62 174.23 1a3y s ILE 113 N 1.01 5.09 0.13 1.82 1.01 -1.26 -1.32 121.20 127.67 1a3y s ILE 113 Ca -0.10 0.72 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 1a3y s ILE 113 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1a3y s ILE 113 CO -0.01 0.54 0.07 -0.04 0.00 0.00 0.00 174.94 175.50 1a3y s MET 114 N -1.20 0.93 -0.03 2.79 -1.94 0.74 -1.53 119.30 119.05 1a3y s MET 114 Ca 0.24 -1.40 -0.10 0.00 -1.71 0.00 0.00 55.69 52.72 1a3y s MET 114 Cb -0.16 0.25 0.02 0.00 2.01 0.00 0.00 34.83 36.95 1a3y s MET 114 CO 0.13 -0.27 0.23 0.95 -0.01 0.00 0.00 175.02 176.06 1a3y s THR 115 N -4.03 0.05 -0.07 2.05 -4.23 -0.23 -0.73 115.64 108.45 1a3y s THR 115 Ca 0.22 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1a3y s THR 115 Cb 0.07 -0.48 0.02 0.00 1.34 0.00 0.00 72.50 73.45 1a3y s THR 115 CO 0.01 -0.23 0.19 -0.83 -0.54 0.00 0.00 174.62 173.21 1a3y s GLY 116 N -0.95 -0.13 -0.21 3.99 0.00 -0.35 -1.42 107.32 108.24 1a3y s GLY 116 Ca -0.10 0.56 -0.05 0.00 0.00 0.00 0.00 44.72 45.13 1a3y s GLY 116 CO 0.02 0.54 -0.00 -2.27 0.00 0.00 0.00 173.10 171.39 1a3y s LEU 117 N 0.25 3.19 0.20 0.66 2.96 -0.83 -1.14 118.68 123.97 1a3y s LEU 117 Ca -0.01 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1a3y s LEU 117 Cb -0.03 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1a3y s LEU 117 CO -0.01 0.04 0.07 -0.76 -1.32 0.00 0.00 176.35 174.37 1a3y s LEU 118 N 1.15 3.52 0.00 -0.68 1.43 -0.33 -1.09 118.68 122.68 1a3y s LEU 118 Ca 0.03 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1a3y s LEU 118 Cb -0.14 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 1a3y s LEU 118 CO 0.01 0.05 0.08 0.61 0.23 0.00 0.00 176.35 177.32 1a3y n GLY 119 N -0.49 3.54 0.04 -3.19 0.00 0.12 -2.93 105.19 102.28 1a3y n GLY 119 Ca -0.08 -1.64 -0.00 0.00 0.00 0.00 0.00 46.02 44.30 1a3y n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a3y n LYS 120 N -0.14 1.06 0.00 1.61 4.76 -1.26 -0.89 118.16 123.30 1a3y n LYS 120 Ca 0.01 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1a3y n LYS 120 Cb 0.13 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1a3y n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a3y n GLY 121 N 1.85 3.67 0.09 0.72 0.00 -1.26 -4.77 105.19 105.49 1a3y n GLY 121 Ca -0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1a3y n GLY 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a3y n THR 122 N 0.00 1.44 -2.24 2.61 -1.04 -1.26 -4.89 114.28 108.91 1a3y n THR 122 Ca 0.00 -0.78 -0.33 0.00 -2.04 0.00 0.00 64.05 60.90 1a3y n THR 122 Cb 0.00 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.67 1a3y n THR 122 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1a3y s ASP 123 N -5.87 6.03 -0.10 8.00 1.01 -1.26 -5.07 116.67 119.41 1a3y s ASP 123 Ca -0.05 1.84 -0.03 0.00 0.71 0.00 0.00 52.55 55.01 1a3y s ASP 123 Cb 0.08 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.51 1a3y s ASP 123 CO 0.83 -1.00 0.06 -0.63 0.21 0.00 0.00 175.17 174.64 1a3y s ILE 124 N -2.31 -0.00 0.29 0.77 1.01 -1.26 -4.80 121.20 114.90 1a3y s ILE 124 Ca 0.65 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 1a3y s ILE 124 Cb -0.16 -0.41 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 1a3y s ILE 124 CO 0.31 -0.01 1.12 -1.61 0.00 0.00 0.00 174.94 174.76 1a3y s GLU 125 N 2.12 4.59 0.41 2.79 2.02 -1.26 -4.93 118.70 124.44 1a3y s GLU 125 Ca 0.03 1.85 0.15 0.00 0.02 0.00 0.00 54.97 57.02 1a3y s GLU 125 Cb -0.14 -3.15 1.02 0.00 0.10 0.00 0.00 34.13 31.96 1a3y s GLU 125 CO -0.06 0.15 1.90 -0.44 0.02 0.00 0.00 175.26 176.84 1a3y h ASP 126 N 3.72 0.43 0.64 -0.19 3.32 -2.00 -1.74 116.42 120.60 1a3y h ASP 126 Ca -0.47 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.44 1a3y h ASP 126 Cb 1.21 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1a3y h ASP 126 CO 0.67 0.22 -0.76 1.56 -1.72 0.00 0.00 179.24 179.21 1a3y h GLN 127 N 0.46 0.09 0.06 3.56 4.20 -1.99 -1.85 115.11 119.63 1a3y h GLN 127 Ca 0.39 -0.09 -0.28 0.00 0.06 0.00 0.00 58.65 58.73 1a3y h GLN 127 Cb 0.86 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.69 1a3y h GLN 127 CO -0.14 0.80 -1.14 -0.44 -0.67 0.00 0.00 178.83 177.25 1a3y h ASP 128 N 0.06 0.89 -0.79 1.46 3.32 -1.80 -1.49 116.42 118.07 1a3y h ASP 128 Ca -0.02 -0.76 0.04 0.00 0.02 0.00 0.00 57.03 56.31 1a3y h ASP 128 Cb 1.33 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1a3y h ASP 128 CO 0.11 1.56 0.50 0.25 -1.72 0.00 0.00 179.24 179.94 1a3y h LEU 129 N 0.34 0.82 -0.11 1.55 6.46 -1.33 -0.05 115.31 122.99 1a3y h LEU 129 Ca -0.16 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1a3y h LEU 129 Cb 1.80 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.55 1a3y h LEU 129 CO 0.22 0.56 0.01 -0.08 -0.62 0.00 0.00 178.44 178.54 1a3y h GLU 130 N 0.97 0.19 -0.03 1.25 4.57 -1.30 -2.07 114.58 118.16 1a3y h GLU 130 Ca 0.32 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1a3y h GLU 130 Cb 0.03 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1a3y h GLU 130 CO -0.12 0.40 0.00 -0.22 -1.18 0.00 0.00 179.01 177.89 1a3y h LYS 131 N -0.05 0.03 -0.42 1.92 3.11 -0.88 -0.73 116.57 119.55 1a3y h LYS 131 Ca 0.03 -0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.76 1a3y h LYS 131 Cb 0.30 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1a3y h LYS 131 CO 0.00 0.03 -0.17 0.35 -2.81 0.00 0.00 179.45 176.86 1a3y h PHE 132 N 0.03 0.97 -0.01 1.91 3.57 -0.63 -1.09 116.94 121.70 1a3y h PHE 132 Ca 0.01 -0.23 -0.13 0.00 3.53 0.00 0.00 57.97 61.15 1a3y h PHE 132 Cb 0.02 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1a3y h PHE 132 CO 0.00 0.99 -0.60 0.87 -2.23 0.00 0.00 178.31 177.34 1a3y h LYS 133 N 0.67 0.04 -0.13 1.11 1.57 -0.58 -0.97 116.57 118.29 1a3y h LYS 133 Ca 0.10 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 1a3y h LYS 133 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1a3y h LYS 133 CO 0.05 0.63 -0.74 0.93 -0.57 0.00 0.00 179.45 179.76 1a3y h GLU 134 N 0.03 0.61 -0.12 3.15 5.08 -1.04 -1.58 114.58 120.71 1a3y h GLU 134 Ca -0.01 -0.49 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 1a3y h GLU 134 Cb 1.08 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1a3y h GLU 134 CO 0.08 1.11 -0.57 0.28 -1.00 0.00 0.00 179.01 178.91 1a3y h VAL 135 N 0.42 1.35 0.60 3.13 2.07 -1.13 -2.52 116.25 120.18 1a3y h VAL 135 Ca -0.04 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 1a3y h VAL 135 Cb 1.34 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1a3y h VAL 135 CO 0.14 0.57 -0.29 0.74 0.02 0.00 0.00 177.57 178.75 1a3y h THR 136 N 0.29 0.39 -0.14 2.57 2.02 -1.04 -2.35 112.91 114.64 1a3y h THR 136 Ca 0.00 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1a3y h THR 136 Cb 1.09 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1a3y h THR 136 CO 0.10 0.02 0.11 -0.09 0.37 0.00 0.00 175.52 176.02 1a3y h ARG 137 N -0.88 0.00 0.00 6.66 2.43 -1.32 -0.22 114.38 121.06 1a3y h ARG 137 Ca -0.08 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 1a3y h ARG 137 Cb 0.64 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1a3y h ARG 137 CO 0.14 0.00 -0.35 1.49 -1.51 0.00 0.00 179.97 179.74 1a3y h GLU 138 N 0.00 0.00 -0.54 0.20 4.57 -1.04 -2.52 114.58 115.24 1a3y h GLU 138 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1a3y h GLU 138 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1a3y h GLU 138 CO -0.00 0.35 0.00 0.09 -1.18 0.00 0.00 179.01 178.26 1a3y n ASN 139 N -3.95 2.49 -2.87 1.04 5.03 -0.11 -4.90 115.26 111.99 1a3y n ASN 139 Ca -0.02 -2.19 -0.15 0.00 0.87 0.00 0.00 54.58 53.09 1a3y n ASN 139 Cb 0.40 -0.38 0.07 0.00 -1.02 0.00 0.00 39.78 38.84 1a3y n ASN 139 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a3y n GLY 140 N 0.75 -0.19 3.09 7.41 0.00 -0.95 -4.99 105.19 110.32 1a3y n GLY 140 Ca 0.13 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1a3y n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3y s ILE 141 N -3.26 1.68 0.65 -0.61 1.01 -1.15 -4.95 121.20 114.58 1a3y s ILE 141 Ca 0.20 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1a3y s ILE 141 Cb -0.09 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1a3y s ILE 141 CO 0.56 0.48 1.21 -2.65 0.00 0.00 0.00 174.94 174.53 1a3y n PRO 142 N 4.16 1.02 0.24 2.79 -0.02 -1.26 -4.01 135.00 137.94 1a3y n PRO 142 Ca -0.19 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1a3y n PRO 142 Cb 0.51 -2.44 0.52 0.00 -0.02 0.00 0.00 33.50 32.07 1a3y n PRO 142 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1a3y h GLU 143 N 0.45 0.00 -0.37 -0.52 4.39 -1.97 -2.61 114.58 113.95 1a3y h GLU 143 Ca -0.50 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.11 1a3y h GLU 143 Cb 1.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 1a3y h GLU 143 CO 0.52 0.11 -0.14 0.93 -1.16 0.00 0.00 179.01 179.26 1a3y h GLU 144 N 0.00 0.67 -1.09 2.33 3.07 -1.99 -3.03 114.58 114.55 1a3y h GLU 144 Ca -0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1a3y h GLU 144 Cb 0.68 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1a3y h GLU 144 CO 0.01 0.79 0.00 0.09 -1.40 0.00 0.00 179.01 178.51 1a3y n ASN 145 N -4.16 1.73 -4.44 1.42 5.03 -0.98 -4.73 115.26 109.13 1a3y n ASN 145 Ca 0.01 -1.48 -0.33 0.00 0.87 0.00 0.00 54.58 53.64 1a3y n ASN 145 Cb 0.37 -0.37 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1a3y n ASN 145 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a3y s ILE 146 N -0.15 3.54 -0.01 2.41 1.01 -1.15 -1.63 121.20 125.22 1a3y s ILE 146 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.25 1a3y s ILE 146 Cb 0.00 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 1a3y s ILE 146 CO 0.00 0.50 -0.26 -0.69 0.00 0.00 0.00 174.94 174.49 1a3y s VAL 147 N 0.40 2.09 -0.38 2.92 1.01 -0.12 -5.00 120.40 121.32 1a3y s VAL 147 Ca -0.06 -1.14 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 1a3y s VAL 147 Cb -0.15 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1a3y s VAL 147 CO 0.04 0.55 1.01 0.21 0.00 0.00 0.00 175.10 176.91 1a3y s ASN 148 N -0.70 6.74 0.23 3.32 3.84 -1.26 -1.81 114.94 125.30 1a3y s ASN 148 Ca 0.10 0.69 0.23 0.00 0.21 0.00 0.00 52.86 54.09 1a3y s ASN 148 Cb -0.10 -2.51 0.06 0.00 -0.55 0.00 0.00 41.25 38.16 1a3y s ASN 148 CO -0.01 -0.95 1.13 0.40 -2.79 0.00 0.00 177.10 174.89 1a3y h ILE 149 N 5.88 0.00 0.00 -5.21 1.08 0.10 -3.37 117.51 116.00 1a3y h ILE 149 Ca -0.22 -0.97 -0.07 0.00 -0.39 0.00 0.00 64.86 63.21 1a3y h ILE 149 Cb 1.07 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1a3y h ILE 149 CO 1.03 0.00 -0.36 0.16 -0.69 0.00 0.00 178.15 178.29 1a3y h ILE 150 N 0.00 0.71 -0.90 -0.67 3.07 -1.56 -3.22 117.51 114.94 1a3y h ILE 150 Ca 0.00 -1.65 -0.01 0.00 1.55 0.00 0.00 64.86 64.75 1a3y h ILE 150 Cb 0.98 2.09 -0.04 0.00 -0.27 0.00 0.00 36.82 39.58 1a3y h ILE 150 CO 0.00 0.35 0.52 -0.33 -1.05 0.00 0.00 178.15 177.64 1a3y h GLU 151 N 0.00 1.24 -0.68 0.16 4.39 -1.87 -3.08 114.58 114.74 1a3y h GLU 151 Ca -0.00 -0.13 -0.31 0.00 0.34 0.00 0.00 59.36 59.26 1a3y h GLU 151 Cb 1.06 -0.25 -0.18 0.00 -0.10 0.00 0.00 28.75 29.27 1a3y h GLU 151 CO 0.05 0.89 0.29 2.89 -1.16 0.00 0.00 179.01 181.96 1a3y n ARG 152 N -4.34 2.45 -3.10 2.33 0.00 -1.22 -4.83 116.66 107.95 1a3y n ARG 152 Ca 0.10 -3.08 -0.44 0.00 -0.00 0.00 0.00 57.85 54.43 1a3y n ARG 152 Cb 0.08 -2.04 0.00 0.00 -0.00 0.00 0.00 32.46 30.50 1a3y n ARG 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1a3y n ASP 153 N -0.90 5.76 -1.45 2.89 2.03 -1.17 -4.73 116.55 118.98 1a3y n ASP 153 Ca 0.45 -3.16 0.10 0.00 0.52 0.00 0.00 54.79 52.70 1a3y n ASP 153 Cb 1.35 -1.38 0.34 0.00 -0.72 0.00 0.00 41.12 40.71 1a3y n ASP 153 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1a3y n ASP 154 N 2.68 4.25 -4.77 1.67 5.68 -1.26 -4.97 116.55 119.84 1a3y n ASP 154 Ca 0.28 -2.21 -0.32 0.00 -0.50 0.00 0.00 54.79 52.04 1a3y n ASP 154 Cb 0.37 -0.53 0.07 0.00 -1.14 0.00 0.00 41.12 39.90 1a3y n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a3y n PRO 156 N -3.10 0.81 0.00 0.00 -0.04 -1.26 -5.18 135.00 126.24 1a3y n PRO 156 Ca 0.10 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 1a3y n PRO 156 Cb 0.53 -2.21 0.35 0.00 -0.04 0.00 0.00 33.50 32.13 1a3y n PRO 156 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46