#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lke n GLY 6 N 0.00 3.43 3.92 0.27 0.00 -1.26 -4.83 105.19 106.72 1lke n GLY 6 Ca 0.00 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 1lke n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lke s ALA 7 N -2.29 3.18 0.18 4.61 0.00 -1.26 -3.27 121.76 122.92 1lke s ALA 7 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 51.96 50.83 1lke s ALA 7 Cb 0.00 -2.64 -0.14 0.00 0.00 0.00 0.00 23.12 20.35 1lke s ALA 7 CO 0.00 -1.12 1.57 0.00 0.00 0.00 0.00 175.76 176.22 1lke s PRO 9 N 0.72 2.02 -0.01 0.00 0.04 -1.26 -4.95 135.00 131.56 1lke s PRO 9 Ca 0.77 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1lke s PRO 9 Cb -0.65 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 1lke s PRO 9 CO 0.39 -1.88 1.03 -1.83 0.04 0.00 0.00 177.00 174.75 1lke s GLU 10 N -4.26 4.51 -0.07 4.56 -1.05 -1.26 -5.01 118.70 116.12 1lke s GLU 10 Ca 0.69 1.48 -0.04 0.00 -0.15 0.00 0.00 54.97 56.95 1lke s GLU 10 Cb -0.24 -3.47 -0.04 0.00 -0.44 0.00 0.00 34.13 29.94 1lke s GLU 10 CO 0.49 -0.15 0.13 0.08 0.95 0.00 0.00 175.26 176.76 1lke s VAL 11 N 1.27 5.29 -0.77 1.83 1.01 -1.26 -5.05 120.40 122.72 1lke s VAL 11 Ca 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1lke s VAL 11 Cb -0.22 -3.37 0.19 0.00 0.00 0.00 0.00 36.38 32.99 1lke s VAL 11 CO 0.26 0.49 0.63 -1.59 0.00 0.00 0.00 175.10 174.89 1lke s LYS 12 N -1.39 3.01 1.06 2.72 -2.85 -1.26 -5.09 119.74 115.94 1lke s LYS 12 Ca 0.20 -2.83 -0.12 0.00 -1.00 0.00 0.00 55.97 52.21 1lke s LYS 12 Cb -0.12 -3.93 0.23 0.00 -2.06 0.00 0.00 37.83 31.95 1lke s LYS 12 CO 0.10 -1.22 1.07 -2.14 0.10 0.00 0.00 175.35 173.25 1lke s PRO 13 N -0.57 -0.10 0.92 1.78 0.02 -1.26 -4.90 135.00 130.89 1lke s PRO 13 Ca 0.21 0.74 -0.11 0.00 0.02 0.00 0.00 61.00 61.86 1lke s PRO 13 Cb -0.14 -1.66 0.15 0.00 0.02 0.00 0.00 34.50 32.87 1lke s PRO 13 CO -0.08 -3.15 1.09 0.14 -0.33 0.00 0.00 177.00 174.68 1lke s VAL 14 N -2.72 2.55 -0.29 3.83 -7.23 -1.07 -4.97 120.40 110.51 1lke s VAL 14 Ca 0.67 0.18 0.03 0.00 -1.81 0.00 0.00 61.98 61.04 1lke s VAL 14 Cb -0.22 -2.57 0.06 0.00 0.56 0.00 0.00 36.38 34.21 1lke s VAL 14 CO 0.61 -0.23 0.90 -0.90 -0.31 0.00 0.00 175.10 175.17 1lke n ASP 15 N -4.02 1.90 -0.84 4.85 5.68 -1.24 -4.08 116.55 118.79 1lke n ASP 15 Ca 0.07 -1.70 0.04 0.00 -0.50 0.00 0.00 54.79 52.70 1lke n ASP 15 Cb 0.55 -0.04 0.05 0.00 -1.14 0.00 0.00 41.12 40.54 1lke n ASP 15 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1lke n ASN 16 N -0.09 0.88 -4.73 -1.12 6.94 -0.60 -4.64 115.26 111.89 1lke n ASN 16 Ca 0.03 -2.37 -0.42 0.00 -0.02 0.00 0.00 54.58 51.80 1lke n ASN 16 Cb 0.22 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 1lke n ASN 16 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1lke s PHE 17 N -0.76 3.19 -0.39 -2.53 5.36 0.62 -4.97 117.98 118.50 1lke s PHE 17 Ca 0.22 1.09 -0.06 0.00 -0.96 0.00 0.00 56.93 57.22 1lke s PHE 17 Cb 0.23 -3.68 0.08 0.00 -0.34 0.00 0.00 43.02 39.31 1lke s PHE 17 CO -0.07 -2.24 0.19 0.34 -1.46 0.00 0.00 175.22 171.99 1lke s ASP 18 N 0.54 5.38 0.60 6.13 2.15 -1.26 -3.95 116.67 126.26 1lke s ASP 18 Ca 0.60 -1.63 0.39 0.00 0.43 0.00 0.00 52.55 52.34 1lke s ASP 18 Cb -0.38 -1.89 2.00 0.00 -0.30 0.00 0.00 42.92 42.35 1lke s ASP 18 CO 0.37 -0.49 2.20 -0.25 -0.17 0.00 0.00 175.17 176.83 1lke h TRP 19 N 8.22 0.00 0.00 -5.34 2.91 -1.93 -2.19 115.95 117.61 1lke h TRP 19 Ca -0.19 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.83 1lke h TRP 19 Cb 1.07 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.72 1lke h TRP 19 CO 0.59 0.00 0.00 0.66 -1.03 0.00 0.00 178.44 178.66 1lke h SER 20 N 0.00 0.00 0.45 2.65 4.64 -2.01 -1.63 113.55 117.65 1lke h SER 20 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lke h SER 20 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1lke h SER 20 CO 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.85 1lke n GLN 21 N -2.31 0.55 -1.81 4.77 3.00 -0.82 -4.48 117.38 116.28 1lke n GLN 21 Ca 0.03 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 1lke n GLN 21 Cb 0.28 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.01 1lke n GLN 21 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1lke n TYR 22 N -1.08 3.01 -3.85 1.08 9.36 -0.61 -4.78 117.16 120.28 1lke n TYR 22 Ca 0.13 -2.94 -0.09 0.00 3.32 0.00 0.00 57.90 58.32 1lke n TYR 22 Cb 0.28 -2.31 -0.05 0.00 -0.63 0.00 0.00 39.34 36.63 1lke n TYR 22 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 1lke s HIS 23 N 1.73 0.09 0.00 2.98 -3.43 -1.26 -4.59 115.29 110.81 1lke s HIS 23 Ca 0.52 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 1lke s HIS 23 Cb 0.15 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 1lke s HIS 23 CO -0.06 -0.91 0.00 0.41 -2.00 0.00 0.00 174.74 172.18 1lke n GLY 24 N -0.33 -1.81 3.70 -1.38 0.00 -0.41 -4.75 105.19 100.21 1lke n GLY 24 Ca -0.07 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 1lke n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lke s LYS 25 N 0.00 4.27 -0.07 1.61 2.20 -1.26 -1.07 119.74 125.41 1lke s LYS 25 Ca 0.00 0.36 0.04 0.00 -0.36 0.00 0.00 55.97 56.01 1lke s LYS 25 Cb 0.00 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1lke s LYS 25 CO 0.00 0.05 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.27 1lke s TRP 26 N 0.99 2.00 -0.14 4.03 0.52 -0.32 -4.62 118.94 121.40 1lke s TRP 26 Ca 0.23 -0.70 -0.07 0.00 0.02 0.00 0.00 56.10 55.58 1lke s TRP 26 Cb -0.15 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1lke s TRP 26 CO 0.09 -0.28 0.13 -1.58 0.02 0.00 0.00 176.95 175.33 1lke s TRP 27 N 0.26 3.52 -0.96 -1.98 0.52 0.15 -1.15 118.94 119.30 1lke s TRP 27 Ca -0.11 0.45 -0.19 0.00 0.02 0.00 0.00 56.10 56.27 1lke s TRP 27 Cb -0.15 -1.99 0.12 0.00 -1.15 0.00 0.00 33.47 30.30 1lke s TRP 27 CO 0.05 0.60 1.21 -1.14 0.02 0.00 0.00 176.95 177.69 1lke s GLN 28 N -0.66 3.62 0.47 4.98 0.74 -0.18 -0.99 119.66 127.64 1lke s GLN 28 Ca 0.13 -1.67 0.27 0.00 0.05 0.00 0.00 55.36 54.14 1lke s GLN 28 Cb -0.12 -5.02 0.84 0.00 1.10 0.00 0.00 33.01 29.81 1lke s GLN 28 CO 0.02 -1.86 1.79 -0.39 -0.55 0.00 0.00 175.29 174.30 1lke h VAL 29 N 5.97 0.16 -2.67 1.34 -1.51 -1.60 -3.43 116.25 114.52 1lke h VAL 29 Ca 0.18 -0.92 -0.06 0.00 -1.23 0.00 0.00 66.70 64.67 1lke h VAL 29 Cb 1.01 1.79 -0.16 0.00 -2.13 0.00 0.00 31.29 31.81 1lke h VAL 29 CO 1.18 0.08 0.08 0.00 -1.23 0.00 0.00 177.57 177.68 1lke s ALA 30 N -3.45 -1.43 0.03 5.19 0.00 -1.20 0.12 121.76 121.01 1lke s ALA 30 Ca 0.03 0.70 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 1lke s ALA 30 Cb 0.08 0.37 0.09 0.00 0.00 0.00 0.00 23.12 23.67 1lke s ALA 30 CO 0.62 -0.51 0.95 0.00 0.00 0.00 0.00 175.76 176.82 1lke s ALA 31 N -2.37 -1.81 0.56 0.00 0.00 -0.84 -0.38 121.76 116.92 1lke s ALA 31 Ca -0.06 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 1lke s ALA 31 Cb -0.01 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 1lke s ALA 31 CO -0.01 -0.80 1.18 0.71 0.00 0.00 0.00 175.76 176.84 1lke s TYR 32 N -3.09 2.52 0.24 0.00 2.02 -0.88 -1.30 117.35 116.86 1lke s TYR 32 Ca 0.08 1.52 -0.05 0.00 -0.37 0.00 0.00 57.07 58.25 1lke s TYR 32 Cb -0.01 -3.42 0.40 0.00 -0.40 0.00 0.00 41.96 38.53 1lke s TYR 32 CO -0.05 -1.97 1.77 -1.35 -1.57 0.00 0.00 175.55 172.38 1lke h PRO 33 N 1.11 0.59 -0.73 -1.71 0.11 -1.94 -0.34 132.00 129.08 1lke h PRO 33 Ca -0.50 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.60 1lke h PRO 33 Cb 1.28 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1lke h PRO 33 CO 0.56 0.39 0.48 -0.44 -0.21 0.00 0.00 178.00 178.79 1lke h ASP 34 N 0.61 0.79 -0.38 -2.05 3.45 -1.95 -0.97 116.42 115.92 1lke h ASP 34 Ca 0.39 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.79 1lke h ASP 34 Cb 0.46 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1lke h ASP 34 CO -0.30 0.55 0.07 -0.74 -1.57 0.00 0.00 179.24 177.25 1lke h HIS 35 N 0.92 0.67 -0.63 4.55 2.76 -1.45 -1.74 115.15 120.22 1lke h HIS 35 Ca 0.29 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1lke h HIS 35 Cb 0.01 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 1lke h HIS 35 CO -0.00 0.66 0.36 0.82 -1.30 0.00 0.00 177.93 178.47 1lke h ILE 36 N 0.48 1.19 -0.06 6.26 2.04 -0.42 0.24 117.51 127.24 1lke h ILE 36 Ca 0.12 -0.44 -0.18 0.00 1.00 0.00 0.00 64.86 65.35 1lke h ILE 36 Cb 0.35 0.32 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1lke h ILE 36 CO 0.01 0.20 -0.66 0.74 0.00 0.00 0.00 178.15 178.44 1lke h THR 37 N 0.88 1.36 0.06 -0.27 2.02 -1.15 0.75 112.91 116.56 1lke h THR 37 Ca 0.23 -2.00 -0.28 0.00 0.77 0.00 0.00 66.41 65.13 1lke h THR 37 Cb -0.00 2.33 0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1lke h THR 37 CO -0.04 0.60 -1.15 0.11 0.37 0.00 0.00 175.52 175.41 1lke h LYS 38 N 0.15 0.65 -0.01 6.66 1.57 -1.13 -3.37 116.57 121.09 1lke h LYS 38 Ca -0.07 -0.79 0.00 0.00 -1.87 0.00 0.00 60.65 57.93 1lke h LYS 38 Cb 1.33 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1lke h LYS 38 CO 0.13 1.35 -0.09 0.66 -0.57 0.00 0.00 179.45 180.93 1lke n TYR 39 N -3.81 0.00 0.00 -1.35 4.02 0.83 -5.02 117.16 111.83 1lke n TYR 39 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1lke n TYR 39 Cb 0.94 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 1lke n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lke n GLY 40 N 0.65 2.33 4.00 2.72 0.00 0.26 -4.76 105.19 110.39 1lke n GLY 40 Ca 0.04 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 1lke n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lke s LYS 41 N -3.07 2.19 -1.46 1.61 -2.85 -0.02 -4.56 119.74 111.58 1lke s LYS 41 Ca 0.00 -1.24 -0.08 0.00 -1.00 0.00 0.00 55.97 53.65 1lke s LYS 41 Cb 0.00 -2.52 0.04 0.00 -2.06 0.00 0.00 37.83 33.29 1lke s LYS 41 CO 0.00 -0.97 0.71 0.00 0.10 0.00 0.00 175.35 175.20 1lke s GLY 43 N -2.88 2.90 0.08 0.00 0.00 -1.26 -4.56 107.32 101.60 1lke s GLY 43 Ca 0.43 0.45 -0.07 0.00 0.00 0.00 0.00 44.72 45.52 1lke s GLY 43 CO 0.53 1.34 0.15 0.66 0.00 0.00 0.00 173.10 175.78 1lke s TRP 44 N 0.11 0.21 -0.00 1.90 1.48 -1.00 -1.02 118.94 120.62 1lke s TRP 44 Ca 0.44 -0.66 -0.07 0.00 -1.06 0.00 0.00 56.10 54.75 1lke s TRP 44 Cb -0.22 -0.11 0.00 0.00 -1.16 0.00 0.00 33.47 31.98 1lke s TRP 44 CO 0.27 -0.52 0.14 0.00 -4.06 0.00 0.00 176.95 172.77 1lke s ALA 45 N -3.87 -0.32 -0.13 2.67 0.00 -0.30 -1.07 121.76 118.73 1lke s ALA 45 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1lke s ALA 45 Cb 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1lke s ALA 45 CO -0.11 -0.19 -0.07 -2.00 0.00 0.00 0.00 175.76 173.39 1lke s GLU 46 N -1.24 3.41 -0.19 0.00 2.56 -0.22 -1.18 118.70 121.84 1lke s GLU 46 Ca -0.13 -0.58 -0.04 0.00 0.00 0.00 0.00 54.97 54.22 1lke s GLU 46 Cb -0.07 -2.76 -0.02 0.00 2.00 0.00 0.00 34.13 33.28 1lke s GLU 46 CO 0.01 0.32 -0.03 0.71 -0.56 0.00 0.00 175.26 175.71 1lke s TYR 47 N 0.13 2.99 -0.20 5.30 1.51 -0.23 -1.47 117.35 125.37 1lke s TYR 47 Ca -0.03 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.47 1lke s TYR 47 Cb -0.14 -2.04 0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1lke s TYR 47 CO 0.03 -0.28 -0.12 0.99 -1.11 0.00 0.00 175.55 175.06 1lke s THR 48 N 0.95 1.82 0.23 -0.71 2.01 0.22 -1.29 115.64 118.87 1lke s THR 48 Ca 0.00 -1.10 -0.31 0.00 0.31 0.00 0.00 61.69 60.60 1lke s THR 48 Cb -0.15 -1.84 -0.10 0.00 0.01 0.00 0.00 72.50 70.42 1lke s THR 48 CO 0.01 0.22 1.53 -2.84 -0.69 0.00 0.00 174.62 172.85 1lke s PRO 49 N 1.32 4.21 -0.36 4.92 0.02 -1.26 -0.41 135.00 143.44 1lke s PRO 49 Ca -0.01 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.41 1lke s PRO 49 Cb -0.16 -3.10 0.14 0.00 0.02 0.00 0.00 34.50 31.40 1lke s PRO 49 CO -0.09 -0.54 0.21 -1.21 -0.33 0.00 0.00 177.00 175.04 1lke s GLU 50 N 0.14 0.60 7.84 5.54 2.02 0.34 -4.87 118.70 130.30 1lke s GLU 50 Ca 0.64 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1lke s GLU 50 Cb -0.44 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1lke s GLU 50 CO 0.40 -1.21 0.00 0.41 0.02 0.00 0.00 175.26 174.88 1lke n GLY 51 N 4.01 3.55 0.21 -1.39 0.00 -1.26 -1.82 105.19 108.49 1lke n GLY 51 Ca 0.12 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1lke n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lke h LYS 52 N 0.00 0.00 -6.44 1.61 1.57 -1.98 -3.46 116.57 107.87 1lke h LYS 52 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1lke h LYS 52 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.33 1lke h LYS 52 CO 0.00 0.06 -0.26 -1.54 -0.57 0.00 0.00 179.45 177.13 1lke s SER 53 N -6.24 5.84 -0.05 0.86 1.04 -0.76 -4.82 113.70 109.57 1lke s SER 53 Ca 0.07 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1lke s SER 53 Cb 0.05 -1.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.02 1lke s SER 53 CO 0.68 -0.59 -0.21 -0.69 0.98 0.00 0.00 173.24 173.41 1lke s VAL 54 N -2.31 1.77 0.01 5.02 1.01 -0.58 -0.50 120.40 124.83 1lke s VAL 54 Ca 0.48 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1lke s VAL 54 Cb -0.10 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1lke s VAL 54 CO 0.33 0.50 0.46 -0.75 0.00 0.00 0.00 175.10 175.64 1lke s LYS 55 N -0.04 4.03 -0.16 2.72 2.20 0.45 -0.47 119.74 128.47 1lke s LYS 55 Ca -0.05 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.09 1lke s LYS 55 Cb -0.13 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1lke s LYS 55 CO 0.03 0.64 -0.20 0.08 -0.36 0.00 0.00 175.35 175.54 1lke s VAL 56 N -0.98 2.14 -0.17 4.02 1.01 0.18 -0.61 120.40 125.99 1lke s VAL 56 Ca 0.25 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1lke s VAL 56 Cb -0.17 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1lke s VAL 56 CO 0.15 0.54 -0.17 -0.44 0.00 0.00 0.00 175.10 175.18 1lke s SER 57 N 1.00 3.43 -0.02 3.32 0.01 -0.54 -1.23 113.70 119.67 1lke s SER 57 Ca -0.02 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.72 1lke s SER 57 Cb -0.15 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 1lke s SER 57 CO -0.06 0.04 -0.13 -0.60 0.41 0.00 0.00 173.24 172.91 1lke s ARG 58 N 1.06 1.14 -0.04 12.44 3.52 -0.39 -1.05 118.95 135.62 1lke s ARG 58 Ca -0.01 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1lke s ARG 58 Cb -0.14 -1.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.14 1lke s ARG 58 CO -0.05 0.24 -0.04 -0.47 -0.81 0.00 0.00 175.30 174.16 1lke s TYR 59 N -0.14 2.99 0.18 5.12 5.04 -0.24 -0.36 117.35 129.95 1lke s TYR 59 Ca 0.02 0.05 -0.24 0.00 -2.44 0.00 0.00 57.07 54.46 1lke s TYR 59 Cb -0.07 -1.69 0.06 0.00 0.35 0.00 0.00 41.96 40.61 1lke s TYR 59 CO 0.00 0.39 0.93 -1.54 -1.34 0.00 0.00 175.55 173.99 1lke s SER 60 N -1.12 -0.17 -0.28 4.32 1.04 -0.95 -2.37 113.70 114.17 1lke s SER 60 Ca 0.15 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 1lke s SER 60 Cb -0.11 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.58 1lke s SER 60 CO 0.05 -1.00 -0.01 -0.69 0.98 0.00 0.00 173.24 172.57 1lke s VAL 61 N -3.27 3.12 -0.19 5.02 1.01 -0.11 -1.34 120.40 124.63 1lke s VAL 61 Ca 0.13 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1lke s VAL 61 Cb -0.02 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1lke s VAL 61 CO 0.04 0.05 -0.12 -0.63 0.00 0.00 0.00 175.10 174.43 1lke s ILE 62 N 1.33 2.76 -1.66 2.22 1.01 -0.04 -0.84 121.20 125.98 1lke s ILE 62 Ca -0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1lke s ILE 62 Cb -0.18 -2.20 0.14 0.00 0.01 0.00 0.00 42.46 40.22 1lke s ILE 62 CO -0.02 0.49 0.78 1.41 0.00 0.00 0.00 174.94 177.60 1lke n HIS 63 N 4.50 -1.81 -0.87 3.97 8.25 -1.26 -1.82 115.22 126.18 1lke n HIS 63 Ca -0.19 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 1lke n HIS 63 Cb 0.51 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 28.47 1lke n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lke n GLY 64 N -1.49 0.90 3.39 -1.41 0.00 -1.26 -5.05 105.19 100.27 1lke n GLY 64 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1lke n GLY 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lke s LYS 65 N -0.13 2.26 0.29 1.61 2.20 -0.76 -5.09 119.74 120.13 1lke s LYS 65 Ca 0.00 -0.84 -0.25 0.00 -0.36 0.00 0.00 55.97 54.52 1lke s LYS 65 Cb 0.00 -2.19 -0.09 0.00 -1.51 0.00 0.00 37.83 34.04 1lke s LYS 65 CO 0.00 0.58 0.90 -1.83 -0.36 0.00 0.00 175.35 174.64 1lke s GLU 66 N -0.72 4.55 0.03 4.03 -1.05 -1.26 -0.86 118.70 123.42 1lke s GLU 66 Ca 0.11 1.26 -0.07 0.00 -0.15 0.00 0.00 54.97 56.12 1lke s GLU 66 Cb -0.10 -2.88 -0.00 0.00 -0.44 0.00 0.00 34.13 30.70 1lke s GLU 66 CO -0.00 0.34 0.13 0.71 0.95 0.00 0.00 175.26 177.39 1lke s TYR 67 N -1.54 0.11 -0.08 4.83 1.51 -0.45 -4.94 117.35 116.80 1lke s TYR 67 Ca 0.47 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1lke s TYR 67 Cb -0.19 -0.08 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 1lke s TYR 67 CO 0.24 -0.35 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.20 1lke s PHE 68 N -2.15 2.93 0.34 2.71 0.40 -1.26 -2.24 117.98 118.71 1lke s PHE 68 Ca -0.09 -0.05 0.10 0.00 -0.60 0.00 0.00 56.93 56.29 1lke s PHE 68 Cb -0.04 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 1lke s PHE 68 CO -0.02 0.26 -0.09 -1.54 0.70 0.00 0.00 175.22 174.53 1lke s SER 69 N -0.62 3.79 0.06 1.36 1.04 0.51 -4.80 113.70 115.03 1lke s SER 69 Ca 0.09 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.40 1lke s SER 69 Cb -0.12 -0.37 -0.03 0.00 0.10 0.00 0.00 66.02 65.61 1lke s SER 69 CO 0.02 -0.19 -0.11 -1.83 0.98 0.00 0.00 173.24 172.11 1lke s GLU 70 N -3.62 0.66 0.26 4.02 -1.05 -0.78 -1.26 118.70 116.92 1lke s GLU 70 Ca 0.33 -0.85 -0.22 0.00 -0.15 0.00 0.00 54.97 54.08 1lke s GLU 70 Cb 0.01 -0.52 0.03 0.00 -0.44 0.00 0.00 34.13 33.21 1lke s GLU 70 CO 0.17 0.11 0.77 0.20 0.95 0.00 0.00 175.26 177.46 1lke s GLY 71 N -1.66 -0.11 0.01 -3.83 0.00 -0.36 -0.75 107.32 100.61 1lke s GLY 71 Ca -0.06 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.50 1lke s GLY 71 CO 0.01 -0.07 -0.21 -1.59 0.00 0.00 0.00 173.10 171.25 1lke s THR 72 N -3.75 1.66 -0.03 0.90 2.01 -1.24 -0.65 115.64 114.54 1lke s THR 72 Ca 0.11 -1.04 0.07 0.00 0.31 0.00 0.00 61.69 61.15 1lke s THR 72 Cb -0.05 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1lke s THR 72 CO 0.06 0.34 -0.25 0.00 -0.69 0.00 0.00 174.62 174.08 1lke s ALA 73 N -0.64 2.19 0.03 7.40 0.00 0.38 -1.01 121.76 130.13 1lke s ALA 73 Ca 0.08 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1lke s ALA 73 Cb -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1lke s ALA 73 CO 0.00 0.50 -0.05 0.71 0.00 0.00 0.00 175.76 176.93 1lke s TYR 74 N -0.51 0.46 0.48 0.00 1.51 -0.64 -1.52 117.35 117.13 1lke s TYR 74 Ca 0.07 -0.58 -0.20 0.00 -1.01 0.00 0.00 57.07 55.34 1lke s TYR 74 Cb -0.11 -0.30 -0.09 0.00 -0.11 0.00 0.00 41.96 41.35 1lke s TYR 74 CO 0.00 -0.16 1.02 -2.14 -1.11 0.00 0.00 175.55 173.16 1lke s PRO 75 N -1.82 3.89 -0.23 -1.71 0.02 -1.26 -0.45 135.00 133.43 1lke s PRO 75 Ca -0.11 1.30 -0.06 0.00 0.02 0.00 0.00 61.00 62.16 1lke s PRO 75 Cb -0.08 -2.11 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 1lke s PRO 75 CO -0.01 -0.35 0.03 0.08 -0.33 0.00 0.00 177.00 176.42 1lke s VAL 76 N -2.03 4.08 0.00 3.83 1.01 -0.55 -4.80 120.40 121.94 1lke s VAL 76 Ca 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1lke s VAL 76 Cb -0.15 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1lke s VAL 76 CO 0.19 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1lke n GLY 77 N 4.68 1.17 3.66 4.51 0.00 -1.26 -4.63 105.19 113.32 1lke n GLY 77 Ca -0.17 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1lke n GLY 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lke s ASP 78 N -4.00 6.73 0.56 1.61 -1.08 -1.26 -4.89 116.67 114.34 1lke s ASP 78 Ca 0.00 2.03 0.27 0.00 -0.52 0.00 0.00 52.55 54.34 1lke s ASP 78 Cb 0.00 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.40 1lke s ASP 78 CO 0.00 -0.90 1.98 0.77 0.52 0.00 0.00 175.17 177.55 1lke h SER 79 N 9.20 0.00 0.20 -0.34 4.64 -1.93 -1.58 113.55 123.75 1lke h SER 79 Ca -0.35 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 1lke h SER 79 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1lke h SER 79 CO 0.96 0.00 -0.04 0.50 -0.87 0.00 0.00 176.83 177.39 1lke h LYS 80 N 0.00 0.00 0.00 4.77 3.64 -1.90 -2.88 116.57 120.20 1lke h LYS 80 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1lke h LYS 80 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1lke h LYS 80 CO -0.00 0.04 0.00 1.51 -2.27 0.00 0.00 179.45 178.72 1lke n ILE 81 N -3.49 0.02 -2.85 2.00 3.06 -0.59 -0.28 119.36 117.22 1lke n ILE 81 Ca -0.02 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.05 1lke n ILE 81 Cb 0.15 -0.51 0.03 0.00 0.54 0.00 0.00 39.64 39.84 1lke n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1lke n GLY 82 N 1.38 -0.32 3.39 4.50 0.00 -1.09 -3.65 105.19 109.41 1lke n GLY 82 Ca 0.10 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1lke n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lke s LYS 83 N -5.46 3.41 -0.04 1.61 2.20 -1.26 -0.61 119.74 119.59 1lke s LYS 83 Ca 0.24 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1lke s LYS 83 Cb -0.10 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1lke s LYS 83 CO 0.29 -0.29 -0.14 0.42 -0.36 0.00 0.00 175.35 175.28 1lke s ILE 84 N 1.56 1.19 -0.09 5.43 1.01 -0.45 -1.48 121.20 128.36 1lke s ILE 84 Ca 0.05 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 1lke s ILE 84 Cb -0.16 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 1lke s ILE 84 CO 0.02 0.35 0.29 -0.47 0.00 0.00 0.00 174.94 175.14 1lke s TYR 85 N 0.21 3.60 0.01 3.97 6.14 0.40 -1.46 117.35 130.22 1lke s TYR 85 Ca -0.06 0.73 0.04 0.00 0.64 0.00 0.00 57.07 58.42 1lke s TYR 85 Cb -0.12 -2.21 -0.01 0.00 0.42 0.00 0.00 41.96 40.04 1lke s TYR 85 CO 0.02 0.53 -0.14 -1.01 0.64 0.00 0.00 175.55 175.59 1lke s HIS 86 N -0.52 1.23 0.42 4.97 3.76 -0.66 -1.61 115.29 122.88 1lke s HIS 86 Ca 0.19 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1lke s HIS 86 Cb -0.14 -0.77 -0.00 0.00 1.11 0.00 0.00 32.58 32.78 1lke s HIS 86 CO 0.07 0.00 0.61 -1.54 -0.85 0.00 0.00 174.74 173.04 1lke s SER 87 N -0.63 5.83 -0.27 1.40 1.04 -0.18 -1.73 113.70 119.17 1lke s SER 87 Ca 0.04 0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 1lke s SER 87 Cb -0.06 -1.37 0.15 0.00 0.10 0.00 0.00 66.02 64.84 1lke s SER 87 CO 0.00 -0.65 0.42 -0.47 0.98 0.00 0.00 173.24 173.52 1lke s TYR 88 N -2.44 -1.01 -0.19 5.02 5.04 0.59 -3.69 117.35 120.67 1lke s TYR 88 Ca 0.48 0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 55.82 1lke s TYR 88 Cb -0.10 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.23 1lke s TYR 88 CO 0.36 -0.85 -0.13 0.99 -1.34 0.00 0.00 175.55 174.57 1lke s THR 89 N 2.58 2.71 -0.12 4.34 2.01 0.07 -0.61 115.64 126.62 1lke s THR 89 Ca 0.12 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1lke s THR 89 Cb -0.14 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.22 1lke s THR 89 CO -0.22 0.49 0.32 -0.51 -0.69 0.00 0.00 174.62 174.01 1lke s ILE 90 N 1.25 -0.00 -1.57 1.82 2.07 -0.72 -1.87 121.20 122.17 1lke s ILE 90 Ca 0.03 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 1lke s ILE 90 Cb -0.14 -0.46 0.10 0.00 0.13 0.00 0.00 42.46 42.09 1lke s ILE 90 CO -0.06 0.01 0.94 0.61 -1.91 0.00 0.00 174.94 174.53 1lke n GLY 91 N 3.09 -0.48 2.47 1.50 0.00 -1.26 -1.84 105.19 108.67 1lke n GLY 91 Ca -0.15 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1lke n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lke n GLY 92 N -1.63 0.40 3.27 -0.02 0.00 -1.26 -5.00 105.19 100.95 1lke n GLY 92 Ca 0.05 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1lke n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lke s VAL 93 N -1.64 2.41 -0.12 1.61 1.01 -0.77 -5.12 120.40 117.79 1lke s VAL 93 Ca 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1lke s VAL 93 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1lke s VAL 93 CO 0.00 0.55 0.04 -0.89 0.00 0.00 0.00 175.10 174.80 1lke s THR 94 N 0.35 4.65 0.25 3.92 2.01 -1.26 -1.76 115.64 123.81 1lke s THR 94 Ca -0.16 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1lke s THR 94 Cb -0.17 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1lke s THR 94 CO 0.08 0.57 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.40 1lke s GLN 95 N -0.60 1.46 0.09 4.92 -0.21 0.22 -4.97 119.66 120.57 1lke s GLN 95 Ca 0.11 -1.72 -0.10 0.00 0.02 0.00 0.00 55.36 53.67 1lke s GLN 95 Cb -0.12 -1.08 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1lke s GLN 95 CO 0.02 0.06 0.22 -1.83 -2.12 0.00 0.00 175.29 171.64 1lke s GLU 96 N -3.72 0.85 -0.01 2.91 -1.05 -1.26 -0.30 118.70 116.12 1lke s GLU 96 Ca 0.27 -0.89 -0.29 0.00 -0.15 0.00 0.00 54.97 53.91 1lke s GLU 96 Cb 0.03 0.35 0.11 0.00 -0.44 0.00 0.00 34.13 34.18 1lke s GLU 96 CO 0.10 -0.28 1.29 0.20 0.95 0.00 0.00 175.26 177.52 1lke s GLY 97 N -2.76 -0.26 -0.08 -3.83 0.00 -0.70 -5.01 107.32 94.67 1lke s GLY 97 Ca 0.03 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.15 1lke s GLY 97 CO -0.10 2.87 -0.22 0.14 0.00 0.00 0.00 173.10 175.79 1lke s VAL 98 N -2.20 2.33 0.36 1.40 1.01 -1.26 -1.65 120.40 120.40 1lke s VAL 98 Ca 0.22 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1lke s VAL 98 Cb 0.02 -1.89 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1lke s VAL 98 CO -0.02 0.56 0.06 0.72 0.00 0.00 0.00 175.10 176.42 1lke s PHE 99 N -0.02 2.02 0.00 5.22 -0.12 -0.53 -4.92 117.98 119.63 1lke s PHE 99 Ca -0.07 -0.96 0.07 0.00 -0.05 0.00 0.00 56.93 55.92 1lke s PHE 99 Cb -0.15 -1.37 -0.02 0.00 -0.63 0.00 0.00 43.02 40.85 1lke s PHE 99 CO 0.05 0.05 -0.20 -0.80 -0.05 0.00 0.00 175.22 174.27 1lke s ASN 100 N -3.57 2.41 -0.22 1.98 0.01 -0.68 -1.34 114.94 113.52 1lke s ASN 100 Ca 0.32 -0.42 -0.23 0.00 -0.71 0.00 0.00 52.86 51.83 1lke s ASN 100 Cb 0.08 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.48 1lke s ASN 100 CO 0.15 0.22 0.72 -0.69 -1.51 0.00 0.00 177.10 175.99 1lke s VAL 101 N -0.58 4.93 -0.02 1.60 1.01 0.22 -0.93 120.40 126.63 1lke s VAL 101 Ca 0.08 1.36 0.10 0.00 0.00 0.00 0.00 61.98 63.52 1lke s VAL 101 Cb -0.08 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 1lke s VAL 101 CO 0.00 0.02 0.75 -0.07 0.00 0.00 0.00 175.10 175.79 1lke h LEU 102 N 8.74 0.03 -7.03 3.92 3.38 -1.40 -2.83 115.31 120.12 1lke h LEU 102 Ca -0.27 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1lke h LEU 102 Cb 1.12 -0.01 -0.20 0.00 0.09 0.00 0.00 40.66 41.66 1lke h LEU 102 CO 0.81 1.05 0.12 -0.55 0.09 0.00 0.00 178.44 179.97 1lke s SER 103 N -6.25 -0.69 0.04 -0.43 0.15 -1.25 -4.59 113.70 100.69 1lke s SER 103 Ca -0.05 1.12 -0.27 0.00 0.70 0.00 0.00 55.95 57.45 1lke s SER 103 Cb 0.08 1.07 0.08 0.00 -1.71 0.00 0.00 66.02 65.55 1lke s SER 103 CO 0.82 -0.38 0.71 0.28 1.20 0.00 0.00 173.24 175.87 1lke s THR 104 N -0.24 0.00 -1.84 6.45 -1.32 -1.26 -1.20 115.64 116.23 1lke s THR 104 Ca -0.04 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 1lke s THR 104 Cb -0.03 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.36 1lke s THR 104 CO 0.04 0.00 1.32 -0.90 -2.21 0.00 0.00 174.62 172.87 1lke n ASP 105 N 0.13 3.24 -2.50 8.08 5.68 -1.23 -4.96 116.55 124.99 1lke n ASP 105 Ca -0.16 -1.93 -0.21 0.00 -0.50 0.00 0.00 54.79 51.99 1lke n ASP 105 Cb 0.61 -0.26 -0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1lke n ASP 105 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1lke n ASN 106 N 1.17 -5.96 0.10 -1.12 3.02 -1.26 -4.72 115.26 106.49 1lke n ASN 106 Ca 0.17 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1lke n ASN 106 Cb 0.52 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1lke n ASN 106 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1lke n LYS 107 N -3.18 0.00 -0.03 3.52 2.85 -1.26 -4.94 118.16 115.12 1lke n LYS 107 Ca -0.23 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.03 1lke n LYS 107 Cb 0.68 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.98 1lke n LYS 107 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1lke n ASN 108 N -2.96 2.65 -3.64 -5.58 3.02 -1.26 -4.85 115.26 102.65 1lke n ASN 108 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1lke n ASN 108 Cb 0.00 1.06 -0.05 0.00 -0.61 0.00 0.00 39.78 40.18 1lke n ASN 108 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1lke s TYR 109 N -2.45 -0.24 -0.04 3.10 -0.85 -1.26 -2.24 117.35 113.38 1lke s TYR 109 Ca -0.04 0.03 -0.03 0.00 -0.52 0.00 0.00 57.07 56.51 1lke s TYR 109 Cb 0.04 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.65 1lke s TYR 109 CO 0.41 -0.66 0.09 0.42 -1.52 0.00 0.00 175.55 174.29 1lke s ILE 110 N -3.31 -0.01 -0.20 -3.49 1.01 -0.61 -3.53 121.20 111.06 1lke s ILE 110 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1lke s ILE 110 Cb 0.01 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.33 1lke s ILE 110 CO -0.08 0.02 -0.08 -0.63 0.00 0.00 0.00 174.94 174.16 1lke s ILE 111 N 0.28 3.15 0.11 2.92 1.01 -0.34 -1.12 121.20 127.22 1lke s ILE 111 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1lke s ILE 111 Cb -0.03 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1lke s ILE 111 CO -0.01 0.46 0.13 -0.83 0.00 0.00 0.00 174.94 174.69 1lke s GLY 112 N 1.24 1.91 -0.00 6.18 0.00 0.04 -0.99 107.32 115.69 1lke s GLY 112 Ca 0.03 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1lke s GLY 112 CO -0.03 -1.05 0.02 -0.47 0.00 0.00 0.00 173.10 171.56 1lke s TYR 113 N -1.56 0.04 -0.00 1.90 5.04 -0.10 -2.07 117.35 120.59 1lke s TYR 113 Ca 0.31 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1lke s TYR 113 Cb -0.11 -0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.16 1lke s TYR 113 CO 0.24 -0.06 -0.00 0.12 -1.34 0.00 0.00 175.55 174.50 1lke s PHE 114 N -0.37 0.07 -0.02 4.97 2.19 -0.54 -1.69 117.98 122.60 1lke s PHE 114 Ca -0.04 -0.00 0.01 0.00 0.33 0.00 0.00 56.93 57.22 1lke s PHE 114 Cb -0.03 -0.07 0.01 0.00 -1.31 0.00 0.00 43.02 41.63 1lke s PHE 114 CO -0.00 -0.01 -0.02 0.00 1.83 0.00 0.00 175.22 177.02 1lke s SER 116 N 0.53 2.49 0.00 0.00 1.04 -0.85 -4.99 113.70 111.92 1lke s SER 116 Ca -0.05 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1lke s SER 116 Cb -0.08 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1lke s SER 116 CO -0.01 -0.00 0.00 -1.22 0.98 0.00 0.00 173.24 172.99 1lke n TYR 117 N 0.76 0.00 0.00 5.02 4.02 -1.26 -0.78 117.16 124.93 1lke n TYR 117 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1lke n TYR 117 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 1lke n TYR 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lke n GLY 123 N 0.00 0.00 3.61 2.72 0.00 -1.23 -4.64 105.19 105.64 1lke n GLY 123 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1lke n GLY 123 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1lke s HIS 124 N -0.28 -0.34 -0.09 1.61 -0.00 -1.20 -4.53 115.29 110.47 1lke s HIS 124 Ca 0.00 0.67 0.03 0.00 -0.00 0.00 0.00 55.06 55.76 1lke s HIS 124 Cb 0.00 0.43 -0.02 0.00 -0.00 0.00 0.00 32.58 33.00 1lke s HIS 124 CO 0.00 -0.25 -0.17 1.41 -0.00 0.00 0.00 174.74 175.72 1lke s MET 125 N -0.66 2.90 0.05 -0.38 0.00 0.04 -4.83 119.30 116.42 1lke s MET 125 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 55.69 54.98 1lke s MET 125 Cb -0.02 -2.41 -0.04 0.00 0.00 0.00 0.00 34.83 32.36 1lke s MET 125 CO -0.03 0.37 -0.03 -0.51 0.00 0.00 0.00 175.02 174.82 1lke s ASP 126 N -0.08 4.86 -0.01 1.11 1.11 -1.26 -2.01 116.67 120.38 1lke s ASP 126 Ca -0.04 -0.16 -0.00 0.00 0.18 0.00 0.00 52.55 52.53 1lke s ASP 126 Cb -0.14 -1.15 0.01 0.00 1.07 0.00 0.00 42.92 42.71 1lke s ASP 126 CO 0.04 0.23 0.02 -0.76 1.18 0.00 0.00 175.17 175.88 1lke s LEU 127 N -1.89 1.58 0.02 1.23 1.43 -0.53 -4.94 118.68 115.58 1lke s LEU 127 Ca 0.21 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1lke s LEU 127 Cb -0.11 0.00 -0.01 0.00 0.03 0.00 0.00 46.19 46.09 1lke s LEU 127 CO 0.13 -0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.90 1lke s VAL 128 N 0.46 0.46 -0.02 -1.59 1.01 -1.26 -1.46 120.40 118.00 1lke s VAL 128 Ca -0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1lke s VAL 128 Cb -0.05 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1lke s VAL 128 CO -0.01 -0.13 0.15 -1.66 0.00 0.00 0.00 175.10 173.45 1lke s TRP 129 N -0.73 -0.03 -0.13 5.22 -2.14 -0.88 -2.07 118.94 118.19 1lke s TRP 129 Ca -0.04 0.04 0.03 0.00 2.66 0.00 0.00 56.10 58.78 1lke s TRP 129 Cb -0.06 -0.01 0.01 0.00 -3.10 0.00 0.00 33.47 30.31 1lke s TRP 129 CO 0.00 -0.24 -0.21 0.08 -2.66 0.00 0.00 176.95 173.92 1lke s VAL 130 N -1.00 1.92 0.03 -0.66 1.01 0.49 -0.78 120.40 121.40 1lke s VAL 130 Ca -0.11 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1lke s VAL 130 Cb -0.06 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1lke s VAL 130 CO 0.01 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1lke s LEU 131 N 0.79 3.45 0.03 3.92 1.43 -0.27 -1.59 118.68 126.44 1lke s LEU 131 Ca -0.09 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1lke s LEU 131 Cb -0.16 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1lke s LEU 131 CO -0.00 0.25 0.03 -0.55 0.23 0.00 0.00 176.35 176.30 1lke s SER 132 N -1.76 0.25 0.35 2.29 0.15 -0.16 -1.57 113.70 113.23 1lke s SER 132 Ca 0.21 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 56.55 1lke s SER 132 Cb -0.12 0.17 0.77 0.00 -1.71 0.00 0.00 66.02 65.14 1lke s SER 132 CO 0.12 -0.43 1.75 0.03 1.20 0.00 0.00 173.24 175.91 1lke h ARG 133 N 4.03 0.00 -6.42 5.44 3.08 -1.70 0.44 114.38 119.24 1lke h ARG 133 Ca -0.32 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.10 1lke h ARG 133 Cb 1.19 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 1lke h ARG 133 CO 0.48 0.00 -0.70 -1.54 -1.07 0.00 0.00 179.97 177.14 1lke s SER 134 N -5.21 4.43 0.58 7.04 1.04 -1.26 -4.76 113.70 115.57 1lke s SER 134 Ca 0.07 -0.50 0.33 0.00 0.48 0.00 0.00 55.95 56.33 1lke s SER 134 Cb 0.09 -0.82 1.79 0.00 0.10 0.00 0.00 66.02 67.17 1lke s SER 134 CO 0.58 0.11 2.18 0.24 0.98 0.00 0.00 173.24 177.33 1lke h MET 135 N 2.92 0.00 -4.86 4.02 2.86 -1.93 -3.42 114.93 114.52 1lke h MET 135 Ca -0.47 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 56.66 1lke h MET 135 Cb 1.20 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.54 1lke h MET 135 CO 0.55 0.05 -0.82 0.08 1.06 0.00 0.00 176.91 177.83 1lke s VAL 136 N -4.20 1.17 -0.41 -2.22 1.01 -1.26 -4.85 120.40 109.65 1lke s VAL 136 Ca -0.03 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1lke s VAL 136 Cb 0.13 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1lke s VAL 136 CO 0.52 0.35 1.14 -0.76 0.00 0.00 0.00 175.10 176.36 1lke s LEU 137 N 0.30 3.76 0.35 3.92 1.43 -1.26 -5.01 118.68 122.16 1lke s LEU 137 Ca -0.07 0.75 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1lke s LEU 137 Cb -0.12 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1lke s LEU 137 CO 0.02 -1.12 0.04 0.42 0.23 0.00 0.00 176.35 175.95 1lke s THR 138 N 4.22 1.43 0.00 5.49 -4.23 -1.26 -4.71 115.64 116.58 1lke s THR 138 Ca 0.48 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1lke s THR 138 Cb -0.10 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1lke s THR 138 CO 0.25 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1lke n GLY 139 N -0.77 1.98 0.38 3.99 0.00 -1.26 -2.61 105.19 106.90 1lke n GLY 139 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1lke n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1lke h GLU 140 N 0.00 -0.01 -0.59 1.61 5.08 -1.99 -0.23 114.58 118.45 1lke h GLU 140 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lke h GLU 140 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1lke h GLU 140 CO 0.00 -0.00 0.35 0.00 -1.00 0.00 0.00 179.01 178.36 1lke h ALA 141 N 1.39 0.75 -0.52 3.43 0.00 -1.93 -2.10 119.26 120.29 1lke h ALA 141 Ca 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1lke h ALA 141 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1lke h ALA 141 CO -0.98 0.24 0.15 -0.22 0.00 0.00 0.00 179.25 178.44 1lke h LYS 142 N 0.80 0.81 -0.60 0.00 3.64 -0.91 -0.88 116.57 119.42 1lke h LYS 142 Ca 0.21 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1lke h LYS 142 Cb -0.01 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1lke h LYS 142 CO -0.04 0.75 0.20 1.15 -2.27 0.00 0.00 179.45 179.25 1lke h THR 143 N 0.71 1.24 -0.34 1.00 2.02 -0.99 -0.92 112.91 115.63 1lke h THR 143 Ca 0.17 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1lke h THR 143 Cb 0.29 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1lke h THR 143 CO -0.00 0.30 0.14 0.00 0.37 0.00 0.00 175.52 176.33 1lke h ALA 144 N 1.07 0.44 -0.53 6.16 0.00 -1.13 -2.22 119.26 123.04 1lke h ALA 144 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lke h ALA 144 Cb 0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1lke h ALA 144 CO -0.01 0.03 0.34 0.28 0.00 0.00 0.00 179.25 179.89 1lke h VAL 145 N 0.40 1.15 -0.22 0.00 2.07 -0.97 -1.47 116.25 117.21 1lke h VAL 145 Ca 0.11 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1lke h VAL 145 Cb 0.18 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1lke h VAL 145 CO -0.01 0.15 0.13 -0.33 0.02 0.00 0.00 177.57 177.53 1lke h GLU 146 N 0.72 0.27 -0.54 1.57 5.08 -0.98 -1.22 114.58 119.48 1lke h GLU 146 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1lke h GLU 146 Cb -0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1lke h GLU 146 CO -0.04 0.18 0.35 -0.91 -1.00 0.00 0.00 179.01 177.59 1lke h ASN 147 N 0.28 0.63 -0.58 1.42 -0.26 -1.23 -1.73 115.58 114.10 1lke h ASN 147 Ca 0.08 -0.03 0.10 0.00 -0.56 0.00 0.00 56.30 55.89 1lke h ASN 147 Cb -0.02 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 37.01 1lke h ASN 147 CO -0.03 0.47 0.16 0.22 -1.06 0.00 0.00 177.43 177.19 1lke h TYR 148 N 0.73 0.26 -0.69 1.19 3.20 -1.01 -2.85 116.97 117.80 1lke h TYR 148 Ca 0.20 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1lke h TYR 148 Cb -0.06 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1lke h TYR 148 CO -0.03 0.02 0.31 -0.07 -1.64 0.00 0.00 178.16 176.75 1lke h LEU 149 N 0.31 0.90 -1.08 2.82 3.38 -0.35 -0.62 115.31 120.67 1lke h LEU 149 Ca 0.30 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1lke h LEU 149 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1lke h LEU 149 CO -0.35 0.78 -0.21 0.40 0.09 0.00 0.00 178.44 179.15 1lke h ILE 150 N 0.99 1.24 -0.02 1.22 2.04 -1.20 -2.54 117.51 119.25 1lke h ILE 150 Ca 0.24 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1lke h ILE 150 Cb 0.14 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1lke h ILE 150 CO -0.03 0.36 -0.25 0.61 0.00 0.00 0.00 178.15 178.84 1lke n GLY 151 N -0.53 0.12 3.71 5.37 0.00 -1.08 -4.98 105.19 107.80 1lke n GLY 151 Ca -0.00 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1lke n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lke s SER 152 N -2.30 7.01 0.36 1.61 0.15 -0.26 -4.91 113.70 115.36 1lke s SER 152 Ca 0.25 2.07 0.26 0.00 0.70 0.00 0.00 55.95 59.23 1lke s SER 152 Cb 0.19 -2.58 0.85 0.00 -1.71 0.00 0.00 66.02 62.77 1lke s SER 152 CO 0.46 -0.53 1.77 -0.65 1.20 0.00 0.00 173.24 175.49 1lke h PRO 153 N 6.91 0.00 0.00 5.44 0.11 -1.89 -3.38 132.00 139.19 1lke h PRO 153 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1lke h PRO 153 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lke h PRO 153 CO 0.83 0.00 -0.90 1.33 -0.21 0.00 0.00 178.00 179.05 1lke n VAL 154 N -2.67 0.00 -3.15 3.15 0.24 -1.26 -5.00 118.33 109.63 1lke n VAL 154 Ca 0.03 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.94 1lke n VAL 154 Cb 0.38 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.31 1lke n VAL 154 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1lke s VAL 155 N -1.87 5.09 -0.49 3.34 1.01 -1.26 -5.02 120.40 121.21 1lke s VAL 155 Ca 0.00 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.00 1lke s VAL 155 Cb 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1lke s VAL 155 CO 0.00 0.25 0.67 -0.62 0.00 0.00 0.00 175.10 175.41 1lke s ASP 156 N 0.81 6.28 0.57 3.32 2.15 -1.26 -4.88 116.67 123.65 1lke s ASP 156 Ca 0.32 -0.62 0.28 0.00 0.43 0.00 0.00 52.55 52.96 1lke s ASP 156 Cb -0.16 -2.32 1.68 0.00 -0.30 0.00 0.00 42.92 41.81 1lke s ASP 156 CO 0.14 -0.90 2.20 0.77 -0.17 0.00 0.00 175.17 177.21 1lke h SER 157 N 8.99 0.00 1.31 -0.34 4.64 -1.95 -1.61 113.55 124.59 1lke h SER 157 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1lke h SER 157 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1lke h SER 157 CO 0.95 0.04 0.00 1.56 -0.87 0.00 0.00 176.83 178.51 1lke h GLN 158 N 0.00 0.00 0.00 4.77 4.20 -2.01 -3.00 115.11 119.07 1lke h GLN 158 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1lke h GLN 158 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1lke h GLN 158 CO 0.00 0.00 -0.93 1.17 -0.67 0.00 0.00 178.83 178.41 1lke n LYS 159 N -2.52 0.44 -2.03 1.46 4.81 -0.60 -4.89 118.16 114.83 1lke n LYS 159 Ca 0.04 0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 57.13 1lke n LYS 159 Cb 0.38 -1.72 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 1lke n LYS 159 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1lke s LEU 160 N -4.64 4.38 -0.17 3.14 1.43 -1.13 -4.25 118.68 117.44 1lke s LEU 160 Ca 0.02 2.62 -0.03 0.00 -1.03 0.00 0.00 54.13 55.71 1lke s LEU 160 Cb 0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1lke s LEU 160 CO 0.78 -0.71 -0.05 -0.69 0.23 0.00 0.00 176.35 175.91 1lke s VAL 161 N 0.27 3.62 0.09 -1.59 1.01 -0.42 -4.93 120.40 118.45 1lke s VAL 161 Ca 0.61 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1lke s VAL 161 Cb -0.41 -2.60 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 1lke s VAL 161 CO 0.40 0.48 0.54 -0.31 0.00 0.00 0.00 175.10 176.20 1lke s TYR 162 N 0.68 3.73 0.30 5.22 1.51 -1.26 -1.98 117.35 125.55 1lke s TYR 162 Ca -0.03 1.16 -0.28 0.00 -1.01 0.00 0.00 57.07 56.91 1lke s TYR 162 Cb -0.15 -2.42 -0.09 0.00 -0.11 0.00 0.00 41.96 39.19 1lke s TYR 162 CO 0.02 0.54 1.03 -1.12 -1.11 0.00 0.00 175.55 174.92 1lke s SER 163 N -1.31 7.26 -0.55 2.29 0.01 0.12 -4.96 113.70 116.56 1lke s SER 163 Ca 0.31 2.09 -0.08 0.00 1.31 0.00 0.00 55.95 59.58 1lke s SER 163 Cb -0.18 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.59 1lke s SER 163 CO 0.18 -0.14 0.41 -0.62 0.41 0.00 0.00 173.24 173.49 1lke s ASP 164 N -1.19 5.70 -0.06 2.44 3.68 -1.26 -4.96 116.67 121.02 1lke s ASP 164 Ca 0.47 -2.24 0.01 0.00 2.13 0.00 0.00 52.55 52.92 1lke s ASP 164 Cb -0.27 -1.99 0.11 0.00 -1.45 0.00 0.00 42.92 39.32 1lke s ASP 164 CO 0.34 -0.59 1.07 0.49 0.13 0.00 0.00 175.17 176.60 1lke n PHE 165 N 4.44 0.45 1.71 -5.34 3.72 -1.26 -4.91 117.46 116.28 1lke n PHE 165 Ca -0.01 -0.61 0.14 0.00 -0.05 0.00 0.00 57.45 56.91 1lke n PHE 165 Cb 0.41 -0.33 0.81 0.00 -0.94 0.00 0.00 39.48 39.43 1lke n PHE 165 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14