#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r69 s ILE 2 N 0.00 0.00 0.13 5.18 -1.09 -1.26 -5.03 121.20 119.12 2r69 s ILE 2 Ca 0.00 -0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 57.67 2r69 s ILE 2 Cb 0.00 -2.37 0.07 0.00 -1.58 0.00 0.00 42.46 38.58 2r69 s ILE 2 CO 0.00 0.00 0.59 -0.69 -1.23 0.00 0.00 174.94 173.61 2r69 s VAL 3 N -2.64 0.01 0.06 2.92 1.01 -1.26 -4.94 120.40 115.56 2r69 s VAL 3 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 2r69 s VAL 3 Cb -0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 2r69 s VAL 3 CO 0.02 -0.03 0.12 -1.48 0.00 0.00 0.00 175.10 173.72 2r69 s LEU 4 N -2.52 1.74 -0.41 3.92 0.05 -1.23 -0.82 118.68 119.41 2r69 s LEU 4 Ca -0.01 -0.64 0.04 0.00 0.05 0.00 0.00 54.13 53.57 2r69 s LEU 4 Cb -0.01 0.73 0.17 0.00 -2.05 0.00 0.00 46.19 45.03 2r69 s LEU 4 CO -0.09 -0.61 0.39 0.42 -0.55 0.00 0.00 176.35 175.91 2r69 s THR 5 N -3.31 -0.08 -0.70 5.48 -4.23 0.88 -4.81 115.64 108.88 2r69 s THR 5 Ca 0.01 -1.84 -0.26 0.00 -1.18 0.00 0.00 61.69 58.42 2r69 s THR 5 Cb 0.03 -0.88 -0.07 0.00 1.34 0.00 0.00 72.50 72.91 2r69 s THR 5 CO -0.08 -0.84 2.18 -1.10 -0.54 0.00 0.00 174.62 174.24 2r69 s GLN 6 N 0.66 2.18 0.00 3.99 -0.21 -1.26 -3.80 119.66 121.22 2r69 s GLN 6 Ca 0.26 0.57 0.00 0.00 0.02 0.00 0.00 55.36 56.22 2r69 s GLN 6 Cb -0.05 -4.71 0.00 0.00 1.00 0.00 0.00 33.01 29.25 2r69 s GLN 6 CO -0.10 -3.51 0.76 0.45 -2.12 0.00 0.00 175.29 170.77 2r69 n SER 7 N 15.54 0.00 -4.48 5.90 2.88 -1.26 -4.26 113.62 127.95 2r69 n SER 7 Ca 0.37 0.76 -0.14 0.00 -1.33 0.00 0.00 58.87 58.53 2r69 n SER 7 Cb 0.49 -0.26 -0.11 0.00 -0.75 0.00 0.00 64.21 63.58 2r69 n SER 7 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2r69 n PRO 8 N -1.79 0.25 0.00 -1.46 -0.04 -1.26 -4.67 135.00 126.03 2r69 n PRO 8 Ca 0.00 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 2r69 n PRO 8 Cb 0.00 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 2r69 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r69 n ALA 9 N 14.35 0.74 0.00 0.55 0.00 -1.26 -4.60 120.51 130.29 2r69 n ALA 9 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2r69 n ALA 9 Cb 0.39 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2r69 n ALA 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r69 n SER 10 N -1.09 0.00 -3.65 0.00 3.41 -1.26 -4.06 113.62 106.97 2r69 n SER 10 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2r69 n SER 10 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2r69 n SER 10 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2r69 s LEU 11 N 0.00 -0.04 -0.09 1.04 2.34 -0.94 -4.92 118.68 116.06 2r69 s LEU 11 Ca 0.00 -0.29 -0.05 0.00 0.06 0.00 0.00 54.13 53.85 2r69 s LEU 11 Cb 0.00 1.58 0.04 0.00 -0.56 0.00 0.00 46.19 47.26 2r69 s LEU 11 CO 0.00 -0.50 0.22 0.00 -1.06 0.00 0.00 176.35 175.02 2r69 s ALA 12 N -2.36 -0.49 0.04 1.48 0.00 -1.26 -2.69 121.76 116.48 2r69 s ALA 12 Ca 0.20 0.91 0.09 0.00 0.00 0.00 0.00 51.96 53.16 2r69 s ALA 12 Cb 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2r69 s ALA 12 CO -0.00 -0.18 -0.26 0.08 0.00 0.00 0.00 175.76 175.39 2r69 s VAL 13 N 1.17 2.11 1.26 0.00 1.01 0.09 -4.95 120.40 121.09 2r69 s VAL 13 Ca -0.09 -1.35 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 2r69 s VAL 13 Cb -0.10 -1.80 0.28 0.00 0.00 0.00 0.00 36.38 34.76 2r69 s VAL 13 CO -0.07 0.39 0.72 -1.54 0.00 0.00 0.00 175.10 174.59 2r69 n SER 14 N 1.85 -2.83 -4.41 3.32 3.41 -1.26 -3.01 113.62 110.69 2r69 n SER 14 Ca -0.17 -0.43 -0.44 0.00 -0.26 0.00 0.00 58.87 57.57 2r69 n SER 14 Cb 0.52 -1.07 -0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2r69 n SER 14 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2r69 s LEU 15 N -5.71 5.62 0.00 1.04 0.20 -1.26 -3.63 118.68 114.94 2r69 s LEU 15 Ca 0.63 -3.17 0.00 0.00 0.69 0.00 0.00 54.13 52.28 2r69 s LEU 15 Cb -0.17 -2.32 0.00 0.00 -0.43 0.00 0.00 46.19 43.27 2r69 s LEU 15 CO 0.60 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.69 2r69 n GLY 16 N 3.62 -0.49 2.98 7.98 0.00 -1.26 -5.02 105.19 113.00 2r69 n GLY 16 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 2r69 n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2r69 n GLN 17 N 0.00 -0.01 -3.77 1.61 1.13 -1.24 -4.91 117.38 110.19 2r69 n GLN 17 Ca 0.00 -2.05 -0.37 0.00 -1.94 0.00 0.00 57.00 52.64 2r69 n GLN 17 Cb 0.00 -0.55 -0.13 0.00 0.11 0.00 0.00 30.24 29.68 2r69 n GLN 17 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2r69 s ARG 18 N -4.52 3.51 0.36 -1.09 3.03 -1.26 -4.15 118.95 114.82 2r69 s ARG 18 Ca 0.51 -0.57 -0.01 0.00 2.03 0.00 0.00 55.73 57.69 2r69 s ARG 18 Cb -0.03 -3.31 -0.04 0.00 -1.03 0.00 0.00 34.95 30.55 2r69 s ARG 18 CO 0.34 -0.24 0.58 0.00 -1.13 0.00 0.00 175.30 174.85 2r69 s ALA 19 N 1.58 3.65 -0.29 7.88 0.00 -1.22 -4.98 121.76 128.37 2r69 s ALA 19 Ca 0.06 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 2r69 s ALA 19 Cb -0.15 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 20.87 2r69 s ALA 19 CO 0.03 -0.03 0.71 0.99 0.00 0.00 0.00 175.76 177.46 2r69 s THR 20 N -2.34 -0.37 -0.07 0.00 2.01 -1.26 -2.93 115.64 110.68 2r69 s THR 20 Ca 0.41 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.46 2r69 s THR 20 Cb -0.10 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 2r69 s THR 20 CO 0.36 0.00 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.46 2r69 s ILE 21 N 2.09 1.71 -0.37 1.82 1.09 -0.19 -4.96 121.20 122.40 2r69 s ILE 21 Ca -0.08 -0.85 0.02 0.00 -1.10 0.00 0.00 60.65 58.64 2r69 s ILE 21 Cb -0.07 -1.48 0.11 0.00 -1.06 0.00 0.00 42.46 39.96 2r69 s ILE 21 CO -0.19 0.48 0.12 -0.94 -0.10 0.00 0.00 174.94 174.31 2r69 s SER 22 N 0.18 4.30 1.14 3.58 1.04 -1.26 0.49 113.70 123.16 2r69 s SER 22 Ca -0.10 -2.18 -0.14 0.00 0.48 0.00 0.00 55.95 54.02 2r69 s SER 22 Cb -0.15 -1.29 0.27 0.00 0.10 0.00 0.00 66.02 64.95 2r69 s SER 22 CO 0.05 -0.35 1.04 0.00 0.98 0.00 0.00 173.24 174.96 2r69 s ARG 24 N -4.68 0.79 0.09 0.00 0.52 -1.25 -2.41 118.95 112.01 2r69 s ARG 24 Ca 0.68 1.06 0.07 0.00 -0.52 0.00 0.00 55.73 57.02 2r69 s ARG 24 Cb -0.22 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 2r69 s ARG 24 CO 0.62 -0.12 -0.13 0.00 0.02 0.00 0.00 175.30 175.69 2r69 s ALA 25 N 0.78 2.83 0.00 2.13 0.00 -0.95 0.30 121.76 126.84 2r69 s ALA 25 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.69 2r69 s ALA 25 Cb -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2r69 s ALA 25 CO -0.06 0.61 0.00 -1.13 0.00 0.00 0.00 175.76 175.19 2r69 n SER 26 N 0.96 0.00 0.00 0.00 3.41 -0.00 -4.47 113.62 113.51 2r69 n SER 26 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2r69 n SER 26 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2r69 n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2r69 n GLU 27 N 0.00 1.56 0.00 4.33 1.02 -1.26 -5.03 120.64 121.26 2r69 n GLU 27 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2r69 n GLU 27 Cb 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2r69 n GLU 27 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2r69 n SER 28 N -0.31 0.00 -2.67 1.62 2.88 -1.26 -5.00 113.62 108.88 2r69 n SER 28 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2r69 n SER 28 Cb 0.01 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.52 2r69 n SER 28 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2r69 n VAL 29 N -0.14 0.00 -3.83 2.46 3.14 -1.26 -4.92 118.33 113.77 2r69 n VAL 29 Ca 0.00 -0.32 -0.13 0.00 -2.96 0.00 0.00 64.34 60.93 2r69 n VAL 29 Cb 0.00 0.72 -0.15 0.00 -1.06 0.00 0.00 33.84 33.35 2r69 n VAL 29 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2r69 s VAL 30 N 0.78 -0.02 -0.21 1.55 1.01 -1.26 -4.59 120.40 117.66 2r69 s VAL 30 Ca 0.24 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 2r69 s VAL 30 Cb 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 36.38 36.54 2r69 s VAL 30 CO -0.10 0.04 0.54 -0.60 0.00 0.00 0.00 175.10 174.98 2r69 s ARG 31 N 0.42 0.63 -1.32 2.72 3.52 -1.24 -4.95 118.95 118.72 2r69 s ARG 31 Ca -0.03 0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 56.15 2r69 s ARG 31 Cb -0.05 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 2r69 s ARG 31 CO -0.01 -0.08 0.49 0.66 -0.81 0.00 0.00 175.30 175.54 2r69 n TYR 32 N 2.94 -1.46 0.00 5.12 4.02 -1.26 -3.35 117.16 123.17 2r69 n TYR 32 Ca -0.14 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 2r69 n TYR 32 Cb 0.56 -3.00 0.00 0.00 -0.02 0.00 0.00 39.34 36.88 2r69 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2r69 n GLY 33 N -2.16 0.60 3.88 2.72 0.00 -1.26 -4.81 105.19 104.16 2r69 n GLY 33 Ca -0.19 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2r69 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r69 s ASN 34 N 0.00 6.54 0.02 1.61 0.01 -1.21 -5.06 114.94 116.84 2r69 s ASN 34 Ca 0.00 1.10 -0.16 0.00 -0.71 0.00 0.00 52.86 53.09 2r69 s ASN 34 Cb 0.00 -2.31 -0.06 0.00 0.41 0.00 0.00 41.25 39.29 2r69 s ASN 34 CO 0.00 -0.35 0.44 -0.55 -1.51 0.00 0.00 177.10 175.13 2r69 s SER 35 N -3.05 6.87 -0.01 -1.22 0.15 -1.26 -3.71 113.70 111.46 2r69 s SER 35 Ca 0.51 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2r69 s SER 35 Cb -0.10 -2.27 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2r69 s SER 35 CO 0.30 0.31 1.61 0.49 1.20 0.00 0.00 173.24 177.15 2r69 n PHE 36 N 1.78 0.03 -0.96 3.44 3.01 -1.26 -3.58 117.46 119.92 2r69 n PHE 36 Ca -0.13 -0.82 -0.35 0.00 1.01 0.00 0.00 57.45 57.16 2r69 n PHE 36 Cb 0.52 -0.41 0.09 0.00 -0.01 0.00 0.00 39.48 39.67 2r69 n PHE 36 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 2r69 n MET 37 N 1.08 -0.08 -3.70 -1.08 1.56 -1.26 -3.47 117.12 110.17 2r69 n MET 37 Ca 0.01 0.01 -0.11 0.00 -0.27 0.00 0.00 57.70 57.33 2r69 n MET 37 Cb 0.51 -1.62 -0.10 0.00 2.15 0.00 0.00 33.22 34.15 2r69 n MET 37 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 2r69 s HIS 38 N -2.18 -0.60 -0.02 1.12 3.76 -1.26 -1.03 115.29 115.09 2r69 s HIS 38 Ca 0.55 1.33 0.06 0.00 -0.15 0.00 0.00 55.06 56.85 2r69 s HIS 38 Cb -0.25 0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.69 2r69 s HIS 38 CO 0.69 -0.32 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.48 2r69 s TRP 39 N 0.95 1.82 0.27 1.40 0.52 -1.06 -1.35 118.94 121.49 2r69 s TRP 39 Ca -0.06 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.75 2r69 s TRP 39 Cb -0.06 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.08 2r69 s TRP 39 CO -0.08 -0.04 0.12 0.66 0.02 0.00 0.00 176.95 177.64 2r69 n TYR 40 N 2.60 -0.04 -3.53 -1.98 4.02 -1.12 -1.48 117.16 115.62 2r69 n TYR 40 Ca -0.15 -1.83 -0.09 0.00 -0.01 0.00 0.00 57.90 55.81 2r69 n TYR 40 Cb 0.53 0.04 -0.09 0.00 -0.02 0.00 0.00 39.34 39.80 2r69 n TYR 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2r69 s GLN 41 N -3.04 0.31 -0.00 -0.72 0.74 -0.60 -3.59 119.66 112.76 2r69 s GLN 41 Ca 0.17 0.79 0.08 0.00 0.05 0.00 0.00 55.36 56.45 2r69 s GLN 41 Cb 0.01 -0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.05 2r69 s GLN 41 CO 0.12 -0.42 -0.24 -1.14 -0.55 0.00 0.00 175.29 173.06 2r69 s GLN 42 N 2.56 1.87 -0.03 1.67 0.74 -1.26 -1.72 119.66 123.49 2r69 s GLN 42 Ca 0.05 -0.89 0.05 0.00 0.05 0.00 0.00 55.36 54.61 2r69 s GLN 42 Cb -0.13 -1.85 -0.01 0.00 1.10 0.00 0.00 33.01 32.11 2r69 s GLN 42 CO -0.14 0.50 -0.18 0.15 -0.55 0.00 0.00 175.29 175.08 2r69 s LYS 43 N -0.70 1.66 0.04 1.67 1.02 -1.26 -2.99 119.74 119.17 2r69 s LYS 43 Ca 0.09 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.34 2r69 s LYS 43 Cb -0.09 -1.50 -0.07 0.00 -0.52 0.00 0.00 37.83 35.65 2r69 s LYS 43 CO -0.00 0.31 0.28 -2.30 -0.92 0.00 0.00 175.35 172.71 2r69 n PRO 44 N 2.93 0.00 -0.96 -1.68 -0.02 -1.26 -0.55 135.00 133.46 2r69 n PRO 44 Ca -0.17 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.27 2r69 n PRO 44 Cb 0.53 -0.44 -0.02 0.00 -0.02 0.00 0.00 33.50 33.55 2r69 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r69 n GLY 45 N 0.62 0.43 3.62 -1.23 0.00 -1.26 -4.90 105.19 102.47 2r69 n GLY 45 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2r69 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r69 s GLN 46 N -2.04 1.96 -0.14 1.61 -0.21 0.29 -5.13 119.66 116.00 2r69 s GLN 46 Ca 0.00 -2.14 -0.28 0.00 0.02 0.00 0.00 55.36 52.96 2r69 s GLN 46 Cb 0.00 -1.45 -0.01 0.00 1.00 0.00 0.00 33.01 32.55 2r69 s GLN 46 CO 0.00 -0.15 0.93 -1.25 -2.12 0.00 0.00 175.29 172.70 2r69 s PRO 47 N -3.77 4.36 -0.44 2.91 0.04 -1.26 -4.63 135.00 132.21 2r69 s PRO 47 Ca 0.29 1.23 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 2r69 s PRO 47 Cb 0.08 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2r69 s PRO 47 CO 0.15 -0.34 2.22 -2.14 0.04 0.00 0.00 177.00 176.93 2r69 s PRO 48 N 2.13 2.52 0.34 0.56 0.02 -1.26 -4.74 135.00 134.57 2r69 s PRO 48 Ca 0.44 1.41 -0.26 0.00 0.02 0.00 0.00 61.00 62.61 2r69 s PRO 48 Cb -0.17 -4.47 -0.10 0.00 0.02 0.00 0.00 34.50 29.78 2r69 s PRO 48 CO 0.15 -2.81 0.96 0.15 -0.33 0.00 0.00 177.00 175.12 2r69 s LYS 49 N 7.41 4.52 0.27 5.54 1.02 -0.70 -4.86 119.74 132.94 2r69 s LYS 49 Ca 0.91 1.35 -0.03 0.00 0.02 0.00 0.00 55.97 58.23 2r69 s LYS 49 Cb -0.20 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2r69 s LYS 49 CO 0.28 0.21 0.51 -1.17 -0.92 0.00 0.00 175.35 174.26 2r69 s LEU 50 N -2.16 4.10 0.00 3.17 2.96 -1.26 -1.55 118.68 123.93 2r69 s LEU 50 Ca 0.52 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 2r69 s LEU 50 Cb -0.19 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2r69 s LEU 50 CO 0.24 -0.17 0.00 0.18 -1.32 0.00 0.00 176.35 175.28 2r69 n LEU 51 N -0.97 0.00 -3.49 -0.68 7.99 -0.55 -4.90 117.00 114.39 2r69 n LEU 51 Ca -0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.84 2r69 n LEU 51 Cb 0.54 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.81 2r69 n LEU 51 CO 0.48 0.05 0.52 -0.63 -1.51 0.00 0.00 177.39 176.30 2r69 s ILE 52 N 0.00 0.00 -0.27 -0.08 -1.09 -1.05 -4.66 121.20 114.06 2r69 s ILE 52 Ca 0.00 0.00 -0.23 0.00 -2.23 0.00 0.00 60.65 58.19 2r69 s ILE 52 Cb 0.00 -1.00 0.07 0.00 -1.58 0.00 0.00 42.46 39.95 2r69 s ILE 52 CO 0.00 0.00 0.70 -0.72 -1.23 0.00 0.00 174.94 173.69 2r69 s TYR 53 N -2.36 -0.82 0.00 3.97 1.13 -1.26 -2.56 117.35 115.45 2r69 s TYR 53 Ca -0.03 1.93 0.00 0.00 -1.41 0.00 0.00 57.07 57.56 2r69 s TYR 53 Cb -0.01 0.32 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 2r69 s TYR 53 CO -0.02 -0.40 0.00 0.54 -2.51 0.00 0.00 175.55 173.16 2r69 n ARG 54 N 2.94 -1.89 -1.33 -3.49 1.74 -0.19 -3.31 116.66 111.12 2r69 n ARG 54 Ca -0.15 0.47 -0.11 0.00 -0.77 0.00 0.00 57.85 57.29 2r69 n ARG 54 Cb 0.56 -4.95 -0.05 0.00 -1.02 0.00 0.00 32.46 27.00 2r69 n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r69 n ALA 55 N 1.00 -0.17 -3.02 7.54 0.00 -1.26 -4.61 120.51 119.98 2r69 n ALA 55 Ca 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 2r69 n ALA 55 Cb 0.47 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2r69 n ALA 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2r69 n SER 56 N -0.14 -1.89 -3.94 0.00 7.64 -1.21 -4.07 113.62 110.00 2r69 n SER 56 Ca -0.11 -2.77 -0.12 0.00 1.01 0.00 0.00 58.87 56.88 2r69 n SER 56 Cb 0.41 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 64.22 2r69 n SER 56 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2r69 s SER 57 N -0.11 0.23 0.05 6.43 1.04 -1.26 -4.87 113.70 115.21 2r69 s SER 57 Ca 0.32 -1.23 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 2r69 s SER 57 Cb 0.08 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.77 2r69 s SER 57 CO -0.14 -1.04 0.54 -0.76 0.98 0.00 0.00 173.24 172.82 2r69 s LEU 58 N -3.12 -0.16 0.00 2.42 2.01 -1.26 -4.86 118.68 113.71 2r69 s LEU 58 Ca 0.31 0.19 0.00 0.00 0.01 0.00 0.00 54.13 54.64 2r69 s LEU 58 Cb 0.03 2.20 0.00 0.00 0.01 0.00 0.00 46.19 48.42 2r69 s LEU 58 CO 0.13 -0.74 0.00 1.21 1.01 0.00 0.00 176.35 177.96 2r69 n GLU 59 N 0.36 0.00 -3.63 1.70 4.07 -1.26 -4.94 120.64 116.94 2r69 n GLU 59 Ca -0.18 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.65 2r69 n GLU 59 Cb 0.61 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 32.01 2r69 n GLU 59 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2r69 n SER 60 N 0.00 -4.94 -1.30 4.31 2.88 -1.26 -3.99 113.62 109.32 2r69 n SER 60 Ca 0.00 -0.60 -0.03 0.00 -1.33 0.00 0.00 58.87 56.91 2r69 n SER 60 Cb 0.00 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.50 2r69 n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r69 n GLY 61 N -1.58 0.01 3.50 0.46 0.00 -1.26 -4.91 105.19 101.41 2r69 n GLY 61 Ca 0.01 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2r69 n GLY 61 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2r69 s ILE 62 N -0.28 5.04 -0.13 -0.61 2.07 -1.26 -4.99 121.20 121.05 2r69 s ILE 62 Ca 0.03 -0.21 -0.41 0.00 -1.41 0.00 0.00 60.65 58.65 2r69 s ILE 62 Cb -0.00 -4.05 -0.19 0.00 0.13 0.00 0.00 42.46 38.35 2r69 s ILE 62 CO 0.06 -0.42 1.35 -2.65 -1.91 0.00 0.00 174.94 171.36 2r69 n PRO 63 N 5.71 0.45 -1.53 3.50 -0.02 -1.26 -4.31 135.00 137.54 2r69 n PRO 63 Ca -0.06 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 2r69 n PRO 63 Cb 0.48 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 2r69 n PRO 63 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2r69 n THR 64 N 2.74 -0.03 -0.00 3.45 -1.04 -1.26 -4.47 114.28 113.67 2r69 n THR 64 Ca 0.23 -0.48 -0.01 0.00 -2.04 0.00 0.00 64.05 61.76 2r69 n THR 64 Cb 0.08 -1.55 -0.00 0.00 -1.82 0.00 0.00 70.33 67.04 2r69 n THR 64 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2r69 n ARG 65 N 8.24 0.02 -0.07 -2.82 1.74 -1.26 -4.93 116.66 117.58 2r69 n ARG 65 Ca 0.52 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.72 2r69 n ARG 65 Cb 0.32 -0.86 0.33 0.00 -1.02 0.00 0.00 32.46 31.23 2r69 n ARG 65 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2r69 n PHE 66 N -2.68 0.18 -0.66 -1.55 3.01 -1.26 -3.73 117.46 110.76 2r69 n PHE 66 Ca -0.01 -0.09 -0.24 0.00 1.01 0.00 0.00 57.45 58.11 2r69 n PHE 66 Cb 0.51 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.01 2r69 n PHE 66 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2r69 n SER 67 N 0.71 -3.62 -2.54 4.37 3.41 -1.26 -4.48 113.62 110.21 2r69 n SER 67 Ca 0.17 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2r69 n SER 67 Cb 0.44 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2r69 n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r69 n GLY 68 N 2.32 -1.94 0.00 5.00 0.00 -1.26 -3.64 105.19 105.66 2r69 n GLY 68 Ca -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2r69 n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2r69 n SER 69 N -2.39 0.00 0.00 1.61 2.88 -1.26 -4.73 113.62 109.73 2r69 n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2r69 n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2r69 n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r69 n GLY 70 N 0.00 0.85 0.00 0.46 0.00 -1.26 -3.32 105.19 101.92 2r69 n GLY 70 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2r69 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2r69 n SER 71 N -0.41 0.00 -3.31 1.61 7.64 -1.26 -4.92 113.62 112.97 2r69 n SER 71 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2r69 n SER 71 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 2r69 n SER 71 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2r69 n ARG 72 N -1.15 -2.25 0.00 1.43 0.63 -1.26 -4.75 116.66 109.31 2r69 n ARG 72 Ca 0.00 -1.35 0.00 0.00 -0.92 0.00 0.00 57.85 55.58 2r69 n ARG 72 Cb 0.00 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2r69 n ARG 72 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2r69 n THR 73 N -4.07 0.00 -3.50 5.15 5.66 -1.26 -4.47 114.28 111.79 2r69 n THR 73 Ca 0.12 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.70 2r69 n THR 73 Cb 0.44 -0.24 -0.10 0.00 -1.55 0.00 0.00 70.33 68.87 2r69 n THR 73 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2r69 s ASP 74 N -0.77 6.04 0.01 1.09 1.01 -1.26 -2.25 116.67 120.54 2r69 s ASP 74 Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 52.55 52.53 2r69 s ASP 74 Cb 0.00 -2.14 0.00 0.00 1.01 0.00 0.00 42.92 41.79 2r69 s ASP 74 CO 0.00 -0.36 0.00 0.49 0.21 0.00 0.00 175.17 175.51 2r69 n PHE 75 N 5.12 -0.35 0.00 4.23 0.99 -1.01 -3.98 117.46 122.46 2r69 n PHE 75 Ca -0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 57.45 57.28 2r69 n PHE 75 Cb 0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.95 2r69 n PHE 75 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2r69 n THR 76 N -0.15 0.00 -3.35 4.37 5.66 -1.21 -3.89 114.28 115.70 2r69 n THR 76 Ca -0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 2r69 n THR 76 Cb 0.01 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.83 2r69 n THR 76 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2r69 s LEU 77 N 0.00 2.91 -0.08 1.09 2.96 1.78 -4.03 118.68 123.32 2r69 s LEU 77 Ca 0.00 -1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 52.60 2r69 s LEU 77 Cb 0.00 -1.40 0.07 0.00 0.50 0.00 0.00 46.19 45.35 2r69 s LEU 77 CO 0.00 -1.30 0.65 -0.89 -1.32 0.00 0.00 176.35 173.50 2r69 s THR 78 N -2.73 0.00 -0.43 3.68 2.01 -1.24 -1.02 115.64 115.92 2r69 s THR 78 Ca 0.52 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.53 2r69 s THR 78 Cb -0.04 -0.97 0.18 0.00 0.01 0.00 0.00 72.50 71.68 2r69 s THR 78 CO 0.33 -0.02 0.38 -0.38 -0.69 0.00 0.00 174.62 174.24 2r69 n ILE 79 N 1.18 -0.93 0.00 1.82 5.41 -1.15 -4.01 119.36 121.69 2r69 n ILE 79 Ca -0.18 -3.62 0.00 0.00 1.00 0.00 0.00 62.75 59.95 2r69 n ILE 79 Cb 0.57 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2r69 n ILE 79 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2r69 n ASN 80 N 2.57 0.00 -4.55 4.38 2.85 -1.24 -3.45 115.26 115.81 2r69 n ASN 80 Ca 0.28 0.42 -0.37 0.00 -0.11 0.00 0.00 54.58 54.80 2r69 n ASN 80 Cb 0.48 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.47 2r69 n ASN 80 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2r69 s PRO 81 N -0.83 2.28 0.06 1.20 0.04 -1.26 -4.35 135.00 132.13 2r69 s PRO 81 Ca 0.00 1.10 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 2r69 s PRO 81 Cb 0.00 -4.52 -0.06 0.00 0.04 0.00 0.00 34.50 29.96 2r69 s PRO 81 CO 0.00 -3.10 0.66 0.08 0.04 0.00 0.00 177.00 174.68 2r69 s VAL 82 N 11.12 4.73 0.00 -0.36 1.01 -1.26 -4.93 120.40 130.71 2r69 s VAL 82 Ca 0.86 1.42 0.00 0.00 0.00 0.00 0.00 61.98 64.26 2r69 s VAL 82 Cb -0.15 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2r69 s VAL 82 CO 0.24 0.45 0.00 1.21 0.00 0.00 0.00 175.10 177.00 2r69 n GLU 83 N 2.32 0.22 -0.03 2.72 4.07 -1.26 -4.35 120.64 124.33 2r69 n GLU 83 Ca -0.06 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.91 2r69 n GLU 83 Cb 0.50 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.80 2r69 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2r69 h ALA 84 N 1.00 0.09 -0.38 4.31 0.00 -1.91 -2.56 119.26 119.81 2r69 h ALA 84 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2r69 h ALA 84 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2r69 h ALA 84 CO 0.00 -0.17 0.26 0.22 0.00 0.00 0.00 179.25 179.57 2r69 h ASP 85 N -0.25 0.22 0.00 0.00 1.82 -1.96 -3.23 116.42 113.03 2r69 h ASP 85 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2r69 h ASP 85 Cb 0.46 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2r69 h ASP 85 CO 0.01 0.14 0.00 0.47 -1.61 0.00 0.00 179.24 178.25 2r69 n ASP 86 N -4.47 0.00 -4.53 2.28 9.92 -0.96 -4.65 116.55 114.13 2r69 n ASP 86 Ca 0.05 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.89 2r69 n ASP 86 Cb 0.27 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.67 2r69 n ASP 86 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2r69 s VAL 87 N -0.86 5.06 -0.01 2.53 1.01 -1.22 -4.84 120.40 122.07 2r69 s VAL 87 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 2r69 s VAL 87 Cb 0.00 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.53 2r69 s VAL 87 CO 0.00 -0.27 1.27 0.00 0.00 0.00 0.00 175.10 176.11 2r69 s ALA 88 N 2.26 -2.22 -0.63 5.51 0.00 -1.26 -4.83 121.76 120.60 2r69 s ALA 88 Ca 0.15 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 2r69 s ALA 88 Cb -0.16 0.41 0.16 0.00 0.00 0.00 0.00 23.12 23.53 2r69 s ALA 88 CO 0.13 -1.06 0.54 0.95 0.00 0.00 0.00 175.76 176.33 2r69 s THR 89 N -2.43 4.95 0.09 0.00 -4.23 -1.16 -2.78 115.64 110.07 2r69 s THR 89 Ca 0.15 -2.04 -0.31 0.00 -1.18 0.00 0.00 61.69 58.31 2r69 s THR 89 Cb 0.04 -4.15 -0.08 0.00 1.34 0.00 0.00 72.50 69.65 2r69 s THR 89 CO -0.03 -0.90 1.61 -0.31 -0.54 0.00 0.00 174.62 174.44 2r69 s TYR 90 N 0.90 2.64 -0.05 3.99 2.02 -1.06 -4.07 117.35 121.72 2r69 s TYR 90 Ca 0.10 0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 57.22 2r69 s TYR 90 Cb -0.22 -3.92 -0.04 0.00 -0.40 0.00 0.00 41.96 37.38 2r69 s TYR 90 CO -0.02 -3.61 0.11 0.71 -1.57 0.00 0.00 175.55 171.17 2r69 s TYR 91 N 2.20 3.41 -0.22 2.71 1.51 -1.24 -3.06 117.35 122.68 2r69 s TYR 91 Ca 0.72 0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 56.99 2r69 s TYR 91 Cb -0.40 -1.82 -0.05 0.00 -0.11 0.00 0.00 41.96 39.58 2r69 s TYR 91 CO 0.32 0.61 0.21 0.00 -1.11 0.00 0.00 175.55 175.58 2r69 n GLN 93 N 4.06 1.62 -3.51 0.00 7.27 -0.46 -1.05 117.38 125.32 2r69 n GLN 93 Ca -0.14 -1.06 0.00 0.00 0.07 0.00 0.00 57.00 55.88 2r69 n GLN 93 Cb 0.52 0.27 -0.04 0.00 2.41 0.00 0.00 30.24 33.40 2r69 n GLN 93 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2r69 s GLN 94 N -2.54 0.42 -0.33 3.69 0.74 -1.22 -3.99 119.66 116.43 2r69 s GLN 94 Ca 0.01 1.05 0.07 0.00 0.05 0.00 0.00 55.36 56.55 2r69 s GLN 94 Cb -0.00 0.64 0.53 0.00 1.10 0.00 0.00 33.01 35.27 2r69 s GLN 94 CO 0.00 -0.15 1.55 2.41 -0.55 0.00 0.00 175.29 178.55 2r69 n THR 95 N 5.19 2.70 -0.06 -0.34 -1.04 -1.23 -4.23 114.28 115.28 2r69 n THR 95 Ca -0.10 -2.71 -0.05 0.00 -2.04 0.00 0.00 64.05 59.14 2r69 n THR 95 Cb 0.51 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.59 2r69 n THR 95 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2r69 n ASN 96 N -1.11 1.31 -4.81 8.00 4.05 -1.26 -4.91 115.26 116.53 2r69 n ASN 96 Ca 0.39 0.34 -0.35 0.00 0.45 0.00 0.00 54.58 55.41 2r69 n ASN 96 Cb 1.12 -0.70 -0.06 0.00 1.23 0.00 0.00 39.78 41.37 2r69 n ASN 96 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2r69 s VAL 97 N -2.15 4.41 -0.26 3.44 1.01 -1.26 -5.00 120.40 120.58 2r69 s VAL 97 Ca -0.16 1.48 0.22 0.00 0.00 0.00 0.00 61.98 63.51 2r69 s VAL 97 Cb 0.02 -3.79 0.22 0.00 0.00 0.00 0.00 36.38 32.83 2r69 s VAL 97 CO 0.24 -0.04 1.66 0.47 0.00 0.00 0.00 175.10 177.43 2r69 n ASP 98 N 0.06 0.58 -2.48 3.32 8.00 -1.26 -2.92 116.55 121.85 2r69 n ASP 98 Ca 0.03 0.74 -0.33 0.00 0.71 0.00 0.00 54.79 55.94 2r69 n ASP 98 Cb 0.52 -0.83 0.05 0.00 -0.02 0.00 0.00 41.12 40.84 2r69 n ASP 98 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2r69 n PRO 99 N -2.25 2.55 -0.69 -0.24 -0.02 -1.26 -4.98 135.00 128.12 2r69 n PRO 99 Ca -0.01 -3.02 -0.33 0.00 -2.02 0.00 0.00 63.50 58.13 2r69 n PRO 99 Cb 0.07 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 2r69 n PRO 99 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2r69 n TRP 100 N -0.41 0.64 -4.45 6.00 8.01 -1.15 -4.92 117.44 121.16 2r69 n TRP 100 Ca 0.54 0.43 -0.27 0.00 -1.31 0.00 0.00 57.50 56.89 2r69 n TRP 100 Cb 0.50 -1.24 -0.04 0.00 -2.01 0.00 0.00 31.31 28.51 2r69 n TRP 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2r69 n ALA 101 N 3.99 0.45 -3.22 6.99 0.00 -1.26 -5.02 120.51 122.43 2r69 n ALA 101 Ca 0.29 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.80 2r69 n ALA 101 Cb -0.02 1.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 2r69 n ALA 101 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2r69 n PHE 102 N -1.20 -0.01 -3.75 0.00 3.72 -1.26 -3.38 117.46 111.57 2r69 n PHE 102 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2r69 n PHE 102 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2r69 n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r69 n GLY 103 N 5.00 4.90 0.19 1.37 0.00 -0.22 -4.86 105.19 111.58 2r69 n GLY 103 Ca 0.00 -2.02 0.04 0.00 0.00 0.00 0.00 46.02 44.04 2r69 n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2r69 h GLY 104 N 0.00 0.00 0.00 -0.02 0.00 -1.89 -3.45 103.07 97.71 2r69 h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2r69 h GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2r69 n GLY 105 N -0.16 -1.83 3.62 4.60 0.00 -1.26 -5.00 105.19 105.15 2r69 n GLY 105 Ca -0.01 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 2r69 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r69 s THR 106 N 0.00 0.00 -0.10 2.61 2.01 -1.17 -4.67 115.64 114.31 2r69 s THR 106 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2r69 s THR 106 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2r69 s THR 106 CO 0.00 0.00 0.39 -0.75 -0.69 0.00 0.00 174.62 173.57 2r69 s LYS 107 N -0.02 4.19 0.25 4.92 2.47 -1.26 -2.56 119.74 127.73 2r69 s LYS 107 Ca 0.01 0.31 0.01 0.00 -1.56 0.00 0.00 55.97 54.74 2r69 s LYS 107 Cb -0.04 -3.37 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 2r69 s LYS 107 CO -0.02 0.33 0.42 -1.17 0.16 0.00 0.00 175.35 175.07 2r69 s LEU 108 N 0.11 4.20 -0.26 5.43 2.96 -1.12 -2.21 118.68 127.80 2r69 s LEU 108 Ca 0.22 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.27 2r69 s LEU 108 Cb -0.15 -3.12 0.07 0.00 0.50 0.00 0.00 46.19 43.50 2r69 s LEU 108 CO 0.09 -0.11 0.66 -0.70 -1.32 0.00 0.00 176.35 174.96 2r69 s GLU 109 N -3.75 0.70 0.47 1.98 2.12 -1.09 -4.62 118.70 114.51 2r69 s GLU 109 Ca 0.38 1.10 0.08 0.00 0.36 0.00 0.00 54.97 56.88 2r69 s GLU 109 Cb -0.10 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.51 2r69 s GLU 109 CO 0.31 -0.13 0.54 0.96 -0.54 0.00 0.00 175.26 176.39 2r69 s ILE 110 N 1.23 2.49 -0.44 -3.70 -4.36 -1.26 -0.73 121.20 114.41 2r69 s ILE 110 Ca -0.07 -1.18 -0.04 0.00 -0.26 0.00 0.00 60.65 59.10 2r69 s ILE 110 Cb -0.05 -2.67 0.12 0.00 1.25 0.00 0.00 42.46 41.11 2r69 s ILE 110 CO -0.13 0.00 0.26 -0.54 0.24 0.00 0.00 174.94 174.77 2r69 s LYS 111 N -4.35 2.14 0.01 0.37 -0.14 -1.17 -4.84 119.74 111.77 2r69 s LYS 111 Ca 0.51 -1.90 -0.14 0.00 -1.36 0.00 0.00 55.97 53.09 2r69 s LYS 111 Cb -0.06 -3.66 -0.06 0.00 -1.68 0.00 0.00 37.83 32.38 2r69 s LYS 111 CO 0.31 -1.10 0.40 0.50 -0.76 0.00 0.00 175.35 174.70 2r69 s ARG 112 N 1.03 3.87 -0.32 1.68 6.06 -1.26 -4.37 118.95 125.64 2r69 s ARG 112 Ca 0.09 0.35 -0.42 0.00 -2.50 0.00 0.00 55.73 53.25 2r69 s ARG 112 Cb -0.23 -3.17 -0.17 0.00 0.06 0.00 0.00 34.95 31.44 2r69 s ARG 112 CO -0.04 0.67 1.67 0.00 -2.50 0.00 0.00 175.30 175.10 2r69 n ALA 113 N 1.64 -0.66 -0.14 6.12 0.00 -1.26 -4.46 120.51 121.75 2r69 n ALA 113 Ca -0.13 0.43 -0.04 0.00 0.00 0.00 0.00 53.44 53.70 2r69 n ALA 113 Cb 0.52 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.84 2r69 n ALA 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2r69 n ASP 114 N 4.75 0.03 -4.85 0.00 8.00 -1.26 -4.80 116.55 118.41 2r69 n ASP 114 Ca 0.27 0.02 -0.37 0.00 0.71 0.00 0.00 54.79 55.42 2r69 n ASP 114 Cb 0.07 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 2r69 n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r69 s ALA 115 N 0.83 3.78 -0.25 2.24 0.00 -1.26 -4.95 121.76 122.15 2r69 s ALA 115 Ca 0.13 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2r69 s ALA 115 Cb -0.12 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 2r69 s ALA 115 CO 0.05 0.53 0.23 0.00 0.00 0.00 0.00 175.76 176.56 2r69 s ALA 116 N -0.99 3.57 0.86 0.00 0.00 -1.26 -3.57 121.76 120.37 2r69 s ALA 116 Ca 0.19 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2r69 s ALA 116 Cb -0.14 -2.46 -0.12 0.00 0.00 0.00 0.00 23.12 20.39 2r69 s ALA 116 CO 0.09 -0.38 -1.02 -0.35 0.00 0.00 0.00 175.76 174.09 2r69 n PRO 117 N 4.69 -0.09 -1.02 0.00 -0.04 -1.20 -4.77 135.00 132.57 2r69 n PRO 117 Ca -0.13 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2r69 n PRO 117 Cb 0.52 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 2r69 n PRO 117 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2r69 n THR 118 N -3.40 0.00 -3.99 0.52 -1.04 -1.24 -4.90 114.28 100.24 2r69 n THR 118 Ca -0.01 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.69 2r69 n THR 118 Cb 0.52 -0.41 -0.15 0.00 -1.82 0.00 0.00 70.33 68.47 2r69 n THR 118 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2r69 s VAL 119 N 0.40 1.79 -0.23 12.58 1.01 -1.26 -4.80 120.40 129.87 2r69 s VAL 119 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 2r69 s VAL 119 Cb 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.47 2r69 s VAL 119 CO 0.00 -0.06 0.56 -0.44 0.00 0.00 0.00 175.10 175.16 2r69 s SER 120 N 1.28 -0.75 0.21 3.32 0.01 -1.16 -4.98 113.70 111.63 2r69 s SER 120 Ca -0.07 1.25 -0.07 0.00 1.31 0.00 0.00 55.95 58.37 2r69 s SER 120 Cb -0.19 1.25 -0.02 0.00 0.21 0.00 0.00 66.02 67.26 2r69 s SER 120 CO -0.06 -0.22 0.29 -0.63 0.41 0.00 0.00 173.24 173.03 2r69 s ILE 121 N 1.75 0.02 0.00 1.44 1.09 -1.26 -1.89 121.20 122.36 2r69 s ILE 121 Ca -0.09 -1.64 0.00 0.00 -1.10 0.00 0.00 60.65 57.82 2r69 s ILE 121 Cb -0.07 -2.22 0.00 0.00 -1.06 0.00 0.00 42.46 39.11 2r69 s ILE 121 CO -0.17 -0.09 0.00 0.49 -0.10 0.00 0.00 174.94 175.07 2r69 n PHE 122 N -0.29 0.00 -1.01 3.97 3.01 -0.31 -4.66 117.46 118.17 2r69 n PHE 122 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 2r69 n PHE 122 Cb 0.64 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.20 2r69 n PHE 122 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2r69 n PRO 123 N 0.00 -0.02 -2.58 -1.08 -0.04 -1.26 -1.91 135.00 128.10 2r69 n PRO 123 Ca 0.00 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 2r69 n PRO 123 Cb 0.00 -1.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 2r69 n PRO 123 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2r69 s PRO 124 N -3.04 3.59 -0.08 0.54 0.04 -0.89 -4.78 135.00 130.39 2r69 s PRO 124 Ca 0.58 -1.16 -0.38 0.00 0.04 0.00 0.00 61.00 60.09 2r69 s PRO 124 Cb -0.27 -5.34 -0.18 0.00 0.04 0.00 0.00 34.50 28.75 2r69 s PRO 124 CO 0.66 -2.19 1.07 0.45 0.04 0.00 0.00 177.00 177.03 2r69 n SER 125 N 8.78 0.19 -4.73 6.66 2.88 -1.26 -4.77 113.62 121.36 2r69 n SER 125 Ca 0.33 1.07 -0.42 0.00 -1.33 0.00 0.00 58.87 58.52 2r69 n SER 125 Cb 0.51 -0.84 -0.03 0.00 -0.75 0.00 0.00 64.21 63.10 2r69 n SER 125 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2r69 s SER 126 N 0.49 6.94 -0.01 -3.46 1.04 -1.26 -5.02 113.70 112.43 2r69 s SER 126 Ca 0.86 2.30 0.07 0.00 0.48 0.00 0.00 55.95 59.66 2r69 s SER 126 Cb -1.21 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 62.29 2r69 s SER 126 CO 0.57 -0.52 -0.23 -0.70 0.98 0.00 0.00 173.24 173.33 2r69 s GLU 127 N 0.30 2.11 0.62 4.02 2.56 -1.26 -4.93 118.70 122.13 2r69 s GLU 127 Ca 0.58 -0.93 0.39 0.00 0.00 0.00 0.00 54.97 55.01 2r69 s GLU 127 Cb -0.35 -2.10 2.14 0.00 2.00 0.00 0.00 34.13 35.82 2r69 s GLU 127 CO 0.35 0.56 2.20 1.96 -0.56 0.00 0.00 175.26 179.77 2r69 h GLN 128 N 5.26 0.00 -0.11 4.30 4.20 -2.03 -2.19 115.11 124.53 2r69 h GLN 128 Ca -0.45 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.13 2r69 h GLN 128 Cb 1.13 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.72 2r69 h GLN 128 CO 0.47 0.00 -0.73 1.28 -0.67 0.00 0.00 178.83 179.18 2r69 n LEU 129 N -2.93 2.39 -4.72 1.46 4.77 -1.26 -5.07 117.00 111.62 2r69 n LEU 129 Ca -0.03 -3.39 -0.42 0.00 -0.03 0.00 0.00 56.01 52.15 2r69 n LEU 129 Cb 0.12 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2r69 n LEU 129 CO 0.17 1.20 1.08 -0.89 -1.33 0.00 0.00 177.39 177.62 2r69 s THR 130 N -2.47 3.08 -1.49 -5.08 2.01 -0.83 -4.90 115.64 105.96 2r69 s THR 130 Ca 0.38 0.82 0.29 0.00 0.31 0.00 0.00 61.69 63.49 2r69 s THR 130 Cb 0.38 -3.52 0.54 0.00 0.01 0.00 0.00 72.50 69.90 2r69 s THR 130 CO -0.09 0.09 2.01 -1.20 -0.69 0.00 0.00 174.62 174.74 2r69 n SER 131 N 3.42 0.00 0.00 3.53 7.64 -1.26 -4.75 113.62 122.20 2r69 n SER 131 Ca 0.10 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2r69 n SER 131 Cb 0.41 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2r69 n SER 131 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r69 n GLY 132 N 1.13 -0.69 0.00 0.23 0.00 -1.26 -4.61 105.19 99.98 2r69 n GLY 132 Ca 0.15 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2r69 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r69 n GLY 133 N 0.36 1.89 3.57 -0.02 0.00 -1.26 -3.63 105.19 106.09 2r69 n GLY 133 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2r69 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r69 s ALA 134 N -2.03 1.32 -0.47 4.61 0.00 -1.26 -4.59 121.76 119.33 2r69 s ALA 134 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 50.43 2r69 s ALA 134 Cb 0.00 -4.63 0.23 0.00 0.00 0.00 0.00 23.12 18.72 2r69 s ALA 134 CO 0.00 -5.54 0.75 -1.13 0.00 0.00 0.00 175.76 169.84 2r69 n SER 135 N 15.99 -2.23 -4.34 0.00 3.41 -1.26 -4.29 113.62 120.91 2r69 n SER 135 Ca 0.43 -3.06 -0.46 0.00 -0.26 0.00 0.00 58.87 55.53 2r69 n SER 135 Cb 0.46 1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 65.57 2r69 n SER 135 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2r69 s VAL 136 N 0.31 5.81 -0.01 -3.33 1.01 -1.25 -2.09 120.40 120.85 2r69 s VAL 136 Ca 0.32 -3.04 -0.23 0.00 0.00 0.00 0.00 61.98 59.03 2r69 s VAL 136 Cb 0.17 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 2r69 s VAL 136 CO -0.18 -1.16 0.70 -0.69 0.00 0.00 0.00 175.10 173.77 2r69 s VAL 137 N -0.60 4.91 -0.11 2.92 1.01 -0.80 -3.04 120.40 124.69 2r69 s VAL 137 Ca 0.27 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2r69 s VAL 137 Cb -0.10 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2r69 s VAL 137 CO -0.08 0.33 -0.11 0.00 0.00 0.00 0.00 175.10 175.24 2r69 s PHE 139 N -0.05 3.07 -0.12 0.00 2.99 -0.79 -3.32 117.98 119.75 2r69 s PHE 139 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 56.93 56.97 2r69 s PHE 139 Cb -0.14 -1.79 0.04 0.00 0.00 0.00 0.00 43.02 41.13 2r69 s PHE 139 CO 0.04 0.35 -0.01 -0.51 -0.00 0.00 0.00 175.22 175.08 2r69 s LEU 140 N -0.66 1.01 -0.03 -0.37 1.02 -0.85 -2.99 118.68 115.81 2r69 s LEU 140 Ca 0.10 -0.40 0.21 0.00 0.02 0.00 0.00 54.13 54.07 2r69 s LEU 140 Cb -0.12 -0.63 -0.27 0.00 0.02 0.00 0.00 46.19 45.19 2r69 s LEU 140 CO 0.02 -0.21 0.50 0.59 0.02 0.00 0.00 176.35 177.27 2r69 n ASN 141 N 5.04 0.16 -3.63 2.29 5.03 -1.26 -1.53 115.26 121.36 2r69 n ASN 141 Ca -0.09 0.06 -0.15 0.00 0.87 0.00 0.00 54.58 55.27 2r69 n ASN 141 Cb 0.49 1.53 -0.07 0.00 -1.02 0.00 0.00 39.78 40.71 2r69 n ASN 141 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2r69 s ASN 142 N -4.86 -0.66 0.00 6.41 3.84 -1.24 -4.51 114.94 113.92 2r69 s ASN 142 Ca -0.07 1.14 0.00 0.00 0.21 0.00 0.00 52.86 54.14 2r69 s ASN 142 Cb 0.12 1.12 0.00 0.00 -0.55 0.00 0.00 41.25 41.94 2r69 s ASN 142 CO 0.88 -0.32 0.00 2.22 -2.79 0.00 0.00 177.10 177.09 2r69 n PHE 143 N 2.26 0.00 -0.11 0.43 -1.74 -1.17 -3.23 117.46 113.91 2r69 n PHE 143 Ca -0.15 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.53 2r69 n PHE 143 Cb 0.56 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.46 2r69 n PHE 143 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 2r69 n TYR 144 N -0.43 0.77 -1.77 2.97 9.36 -1.23 -2.09 117.16 124.75 2r69 n TYR 144 Ca 0.00 0.33 -0.42 0.00 3.32 0.00 0.00 57.90 61.13 2r69 n TYR 144 Cb 0.00 -1.01 -0.03 0.00 -0.63 0.00 0.00 39.34 37.67 2r69 n TYR 144 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2r69 s PRO 145 N -2.39 4.15 0.00 2.98 0.02 -1.26 -4.77 135.00 133.72 2r69 s PRO 145 Ca -0.29 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2r69 s PRO 145 Cb 0.07 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 31.01 2r69 s PRO 145 CO 0.51 -0.81 0.44 1.17 -0.33 0.00 0.00 177.00 177.98 2r69 n LYS 146 N 5.62 0.34 0.00 5.54 4.81 -1.26 -4.85 118.16 128.35 2r69 n LYS 146 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2r69 n LYS 146 Cb 0.39 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.10 2r69 n LYS 146 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2r69 n ASP 147 N 1.14 0.00 0.00 3.14 9.92 -1.26 -5.12 116.55 124.37 2r69 n ASP 147 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2r69 n ASP 147 Cb 0.17 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 2r69 n ASP 147 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2r69 n ILE 148 N 0.00 0.00 -2.82 0.53 -0.00 -1.26 -5.04 119.36 110.77 2r69 n ILE 148 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.34 2r69 n ILE 148 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 2r69 n ILE 148 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2r69 s ASN 149 N -1.00 7.20 0.09 4.38 0.01 -1.26 -5.08 114.94 119.28 2r69 s ASN 149 Ca 0.00 1.46 0.03 0.00 -0.71 0.00 0.00 52.86 53.64 2r69 s ASN 149 Cb 0.00 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2r69 s ASN 149 CO 0.00 -0.27 0.07 0.54 -1.51 0.00 0.00 177.10 175.93 2r69 s VAL 150 N 1.26 4.45 0.26 1.60 0.11 -1.26 -4.82 120.40 122.00 2r69 s VAL 150 Ca 0.46 -0.83 0.09 0.00 -2.93 0.00 0.00 61.98 58.77 2r69 s VAL 150 Cb -0.19 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 2r69 s VAL 150 CO 0.22 0.11 0.05 -0.54 -3.33 0.00 0.00 175.10 171.61 2r69 s LYS 151 N -2.43 2.48 -0.58 1.54 1.02 1.57 -4.91 119.74 118.43 2r69 s LYS 151 Ca 0.29 -1.30 0.04 0.00 0.02 0.00 0.00 55.97 55.02 2r69 s LYS 151 Cb -0.12 -2.28 0.16 0.00 -0.52 0.00 0.00 37.83 35.07 2r69 s LYS 151 CO 0.22 0.38 0.40 -0.46 -0.92 0.00 0.00 175.35 174.96 2r69 s TRP 152 N -2.24 2.69 -1.12 3.18 -0.00 -1.24 0.29 118.94 120.50 2r69 s TRP 152 Ca 0.32 -2.94 -0.20 0.00 -0.00 0.00 0.00 56.10 53.27 2r69 s TRP 152 Cb -0.07 -2.15 0.07 0.00 -0.00 0.00 0.00 33.47 31.32 2r69 s TRP 152 CO 0.21 -0.67 1.52 0.21 -0.00 0.00 0.00 176.95 178.23 2r69 s LYS 153 N -0.71 3.75 0.41 5.86 2.20 2.13 -2.13 119.74 131.25 2r69 s LYS 153 Ca 0.25 -1.54 -0.25 0.00 -0.36 0.00 0.00 55.97 54.06 2r69 s LYS 153 Cb -0.07 -5.37 -0.10 0.00 -1.51 0.00 0.00 37.83 30.77 2r69 s LYS 153 CO -0.13 -2.17 1.19 1.51 -0.36 0.00 0.00 175.35 175.38 2r69 n ILE 154 N 6.50 2.49 -2.87 5.43 0.13 -1.26 -0.20 119.36 129.57 2r69 n ILE 154 Ca 0.38 -0.50 -0.42 0.00 -1.10 0.00 0.00 62.75 61.11 2r69 n ILE 154 Cb 0.49 -1.43 -0.04 0.00 -0.84 0.00 0.00 39.64 37.82 2r69 n ILE 154 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 2r69 s ASP 155 N -0.59 6.65 0.00 9.51 1.01 -0.86 -3.84 116.67 128.55 2r69 s ASP 155 Ca 0.61 0.55 0.00 0.00 0.71 0.00 0.00 52.55 54.43 2r69 s ASP 155 Cb -0.53 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 40.96 2r69 s ASP 155 CO 0.58 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2r69 n GLY 156 N 4.36 0.11 3.75 0.21 0.00 -1.26 -4.99 105.19 107.37 2r69 n GLY 156 Ca 0.05 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 2r69 n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r69 s SER 157 N -4.00 6.89 1.31 1.61 0.01 -1.26 -5.05 113.70 113.22 2r69 s SER 157 Ca 0.00 1.07 -0.20 0.00 1.31 0.00 0.00 55.95 58.13 2r69 s SER 157 Cb 0.00 -2.35 0.31 0.00 0.21 0.00 0.00 66.02 64.19 2r69 s SER 157 CO 0.00 0.04 0.72 -0.62 0.41 0.00 0.00 173.24 173.79 2r69 n GLU 158 N 3.14 -3.82 -4.42 12.44 4.71 -1.25 -4.53 120.64 126.91 2r69 n GLU 158 Ca -0.06 -1.13 -0.34 0.00 -0.01 0.00 0.00 57.16 55.63 2r69 n GLU 158 Cb 0.51 -1.83 -0.12 0.00 -1.01 0.00 0.00 31.44 28.99 2r69 n GLU 158 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2r69 s ARG 159 N -4.51 3.61 0.21 3.49 1.81 -0.90 -4.79 118.95 117.87 2r69 s ARG 159 Ca 0.59 -0.52 0.16 0.00 -1.72 0.00 0.00 55.73 54.24 2r69 s ARG 159 Cb -0.12 -2.89 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 2r69 s ARG 159 CO 0.52 0.28 1.25 0.37 -0.68 0.00 0.00 175.30 177.04 2r69 h GLN 160 N 6.58 0.00 -6.16 3.54 4.15 -1.96 -3.44 115.11 117.83 2r69 h GLN 160 Ca -0.32 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.44 2r69 h GLN 160 Cb 1.19 0.00 0.10 0.00 0.21 0.00 0.00 27.48 28.98 2r69 h GLN 160 CO 0.62 0.42 -0.22 0.09 -1.93 0.00 0.00 178.83 177.81 2r69 n ASN 161 N -3.11 -0.19 -0.28 -0.69 3.02 -1.26 -1.92 115.26 110.82 2r69 n ASN 161 Ca -0.01 1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 55.65 2r69 n ASN 161 Cb 0.76 -1.07 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 2r69 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r69 n GLY 162 N 1.75 0.40 3.51 7.41 0.00 -1.16 -4.45 105.19 112.66 2r69 n GLY 162 Ca 0.16 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2r69 n GLY 162 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2r69 n VAL 163 N -2.17 -0.01 -4.10 1.61 0.31 -0.81 -3.67 118.33 109.48 2r69 n VAL 163 Ca -0.04 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 2r69 n VAL 163 Cb 0.48 -0.84 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 2r69 n VAL 163 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2r69 s LEU 164 N 8.15 0.99 0.30 7.52 1.43 -1.25 -5.06 118.68 130.77 2r69 s LEU 164 Ca 1.27 -1.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2r69 s LEU 164 Cb -0.96 0.87 0.00 0.00 0.03 0.00 0.00 46.19 46.13 2r69 s LEU 164 CO 0.45 -0.91 0.48 0.20 0.23 0.00 0.00 176.35 176.80 2r69 s ASN 165 N -3.07 0.43 -0.22 2.29 -0.87 -1.26 -3.49 114.94 108.75 2r69 s ASN 165 Ca 0.29 -1.25 -0.23 0.00 -1.57 0.00 0.00 52.86 50.09 2r69 s ASN 165 Cb 0.04 0.64 0.06 0.00 -0.02 0.00 0.00 41.25 41.97 2r69 s ASN 165 CO 0.08 -1.25 0.65 -0.55 -2.57 0.00 0.00 177.10 173.45 2r69 s SER 166 N -3.14 -0.67 -0.30 -1.22 0.15 -0.17 -4.87 113.70 103.48 2r69 s SER 166 Ca 0.27 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.13 2r69 s SER 166 Cb -0.00 1.22 0.10 0.00 -1.71 0.00 0.00 66.02 65.62 2r69 s SER 166 CO 0.15 -0.28 0.08 0.26 1.20 0.00 0.00 173.24 174.65 2r69 s TRP 167 N 0.13 2.07 -0.62 3.44 0.52 -1.26 -2.03 118.94 121.18 2r69 s TRP 167 Ca -0.02 -1.91 -0.28 0.00 0.02 0.00 0.00 56.10 53.92 2r69 s TRP 167 Cb -0.04 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2r69 s TRP 167 CO 0.02 -0.87 1.20 0.99 0.02 0.00 0.00 176.95 178.31 2r69 s THR 168 N 1.49 3.96 0.40 2.01 2.01 -1.14 -4.99 115.64 119.38 2r69 s THR 168 Ca 0.08 0.74 -0.27 0.00 0.31 0.00 0.00 61.69 62.55 2r69 s THR 168 Cb -0.18 -4.77 -0.10 0.00 0.01 0.00 0.00 72.50 67.46 2r69 s THR 168 CO -0.20 -1.47 1.45 -1.81 -0.69 0.00 0.00 174.62 171.89 2r69 s ASP 169 N 3.17 6.21 -0.50 3.53 1.01 -1.26 -2.51 116.67 126.32 2r69 s ASP 169 Ca 0.40 2.97 -0.45 0.00 0.71 0.00 0.00 52.55 56.19 2r69 s ASP 169 Cb -0.08 -2.66 -0.19 0.00 1.01 0.00 0.00 42.92 41.00 2r69 s ASP 169 CO 0.22 -0.96 1.98 0.00 0.21 0.00 0.00 175.17 176.63 2r69 n GLN 170 N 0.24 0.03 -2.54 8.23 10.64 -1.22 -4.87 117.38 127.88 2r69 n GLN 170 Ca 0.02 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.78 2r69 n GLN 170 Cb 0.40 -1.52 -0.03 0.00 -0.86 0.00 0.00 30.24 28.24 2r69 n GLN 170 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 2r69 s ASP 171 N 5.12 7.16 0.11 2.61 1.47 -0.75 -4.84 116.67 127.55 2r69 s ASP 171 Ca 1.15 1.78 -0.21 0.00 1.18 0.00 0.00 52.55 56.45 2r69 s ASP 171 Cb -1.49 -2.57 -0.05 0.00 -0.34 0.00 0.00 42.92 38.48 2r69 s ASP 171 CO 0.70 -0.46 1.13 -1.54 0.68 0.00 0.00 175.17 175.68 2r69 n SER 172 N 4.58 -0.73 -0.09 2.11 3.41 -1.26 -1.92 113.62 119.73 2r69 n SER 172 Ca 0.09 1.29 -0.02 0.00 -0.26 0.00 0.00 58.87 59.97 2r69 n SER 172 Cb 0.48 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 2r69 n SER 172 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2r69 n LYS 173 N -4.74 -0.09 0.00 4.33 5.02 -1.26 -3.06 118.16 118.35 2r69 n LYS 173 Ca 0.01 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2r69 n LYS 173 Cb 0.18 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2r69 n LYS 173 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2r69 n ASP 174 N -3.37 1.71 0.00 4.39 8.00 -1.23 -4.92 116.55 121.13 2r69 n ASP 174 Ca 0.00 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2r69 n ASP 174 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2r69 n ASP 174 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2r69 n SER 175 N -0.41 -0.92 -4.82 -2.24 2.88 -0.81 -5.07 113.62 102.22 2r69 n SER 175 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2r69 n SER 175 Cb 0.27 -0.43 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 2r69 n SER 175 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2r69 s THR 176 N -2.00 3.77 0.47 2.46 -1.32 -1.25 -4.73 115.64 113.04 2r69 s THR 176 Ca 0.00 -1.45 0.04 0.00 -1.21 0.00 0.00 61.69 59.07 2r69 s THR 176 Cb 0.00 -3.22 -0.03 0.00 -1.51 0.00 0.00 72.50 67.74 2r69 s THR 176 CO 0.00 -0.24 0.06 -0.31 -2.21 0.00 0.00 174.62 171.92 2r69 s TYR 177 N -2.26 2.11 0.17 9.09 4.12 -0.89 -1.81 117.35 127.88 2r69 s TYR 177 Ca 0.37 -0.82 -0.12 0.00 0.02 0.00 0.00 57.07 56.53 2r69 s TYR 177 Cb -0.06 -1.73 0.00 0.00 -1.52 0.00 0.00 41.96 38.66 2r69 s TYR 177 CO 0.25 0.22 0.36 -1.12 0.02 0.00 0.00 175.55 175.28 2r69 s SER 178 N -3.87 -0.05 -0.02 2.29 0.01 -1.04 -3.02 113.70 108.00 2r69 s SER 178 Ca 0.21 -0.73 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 2r69 s SER 178 Cb 0.04 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.76 2r69 s SER 178 CO 0.11 -0.94 0.04 -0.32 0.41 0.00 0.00 173.24 172.54 2r69 s MET 179 N -3.93 0.01 -0.28 12.44 1.75 -0.58 -2.88 119.30 125.83 2r69 s MET 179 Ca 0.14 0.11 -0.01 0.00 -1.25 0.00 0.00 55.69 54.68 2r69 s MET 179 Cb 0.02 -0.09 0.09 0.00 2.84 0.00 0.00 34.83 37.69 2r69 s MET 179 CO -0.01 -0.07 0.08 0.45 -0.65 0.00 0.00 175.02 174.81 2r69 s SER 180 N 0.45 3.73 0.21 1.11 0.15 -0.86 -2.02 113.70 116.48 2r69 s SER 180 Ca -0.04 -1.40 0.10 0.00 0.70 0.00 0.00 55.95 55.31 2r69 s SER 180 Cb -0.05 -0.77 -0.04 0.00 -1.71 0.00 0.00 66.02 63.44 2r69 s SER 180 CO -0.01 -0.38 -0.12 -0.55 1.20 0.00 0.00 173.24 173.37 2r69 s SER 181 N 1.70 4.05 0.00 5.45 0.15 -1.21 -1.00 113.70 122.84 2r69 s SER 181 Ca 0.07 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2r69 s SER 181 Cb -0.17 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 2r69 s SER 181 CO -0.22 0.08 0.00 0.35 1.20 0.00 0.00 173.24 174.65 2r69 n THR 182 N -0.19 0.00 -3.41 6.45 -2.24 -1.23 -1.35 114.28 112.31 2r69 n THR 182 Ca -0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.50 2r69 n THR 182 Cb 0.57 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 2r69 n THR 182 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2r69 s LEU 183 N 0.00 -0.11 -0.23 3.22 2.96 -1.17 -3.78 118.68 119.58 2r69 s LEU 183 Ca 0.00 -0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 52.74 2r69 s LEU 183 Cb 0.00 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 47.08 2r69 s LEU 183 CO 0.00 -0.37 0.67 -0.89 -1.32 0.00 0.00 176.35 174.44 2r69 s THR 184 N 2.18 4.97 0.00 3.68 2.01 -1.24 -3.80 115.64 123.43 2r69 s THR 184 Ca 0.11 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.36 2r69 s THR 184 Cb -0.15 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2r69 s THR 184 CO -0.29 0.04 0.00 0.18 -0.69 0.00 0.00 174.62 173.87 2r69 n LEU 185 N 5.49 0.00 0.00 4.42 4.77 -1.26 -2.97 117.00 127.44 2r69 n LEU 185 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2r69 n LEU 185 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2r69 n LEU 185 CO 0.44 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.85 2r69 n THR 186 N 0.00 0.00 1.29 -5.08 -2.24 -1.26 -4.48 114.28 102.51 2r69 n THR 186 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2r69 n THR 186 Cb 0.00 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.61 2r69 n THR 186 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2r69 n LYS 187 N 0.00 1.24 0.07 -0.78 4.81 -1.24 -3.70 118.16 118.56 2r69 n LYS 187 Ca 0.00 -0.78 -0.22 0.00 -0.87 0.00 0.00 58.31 56.44 2r69 n LYS 187 Cb 0.00 -1.48 -0.15 0.00 0.02 0.00 0.00 35.03 33.42 2r69 n LYS 187 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2r69 h ASP 188 N 1.91 0.59 -0.48 3.14 1.82 -1.96 -3.30 116.42 118.14 2r69 h ASP 188 Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 2r69 h ASP 188 Cb 0.56 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.37 2r69 h ASP 188 CO 0.00 1.60 0.00 -0.62 -1.61 0.00 0.00 179.24 178.61 2r69 n GLU 189 N -3.88 2.61 -0.08 0.28 -0.58 -1.26 -4.37 120.64 113.36 2r69 n GLU 189 Ca -0.19 -1.92 -0.09 0.00 -0.42 0.00 0.00 57.16 54.54 2r69 n GLU 189 Cb 0.96 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 30.22 2r69 n GLU 189 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2r69 n TYR 190 N 0.83 0.76 -0.92 -0.32 9.36 -1.24 -4.22 117.16 121.40 2r69 n TYR 190 Ca 0.18 0.33 -0.11 0.00 3.32 0.00 0.00 57.90 61.61 2r69 n TYR 190 Cb 0.56 -0.79 -0.10 0.00 -0.63 0.00 0.00 39.34 38.39 2r69 n TYR 190 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2r69 n GLU 191 N -4.55 1.78 0.00 2.98 -0.58 -1.26 -2.46 120.64 116.55 2r69 n GLU 191 Ca -0.14 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.66 2r69 n GLU 191 Cb 0.39 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2r69 n GLU 191 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2r69 n ARG 192 N 1.92 2.17 -4.43 3.49 0.63 -1.26 -5.07 116.66 114.11 2r69 n ARG 192 Ca 0.32 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.91 2r69 n ARG 192 Cb 0.75 -0.76 -0.11 0.00 0.45 0.00 0.00 32.46 32.78 2r69 n ARG 192 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2r69 s HIS 193 N -1.49 3.04 -0.12 -0.14 3.76 -1.03 -5.07 115.29 114.24 2r69 s HIS 193 Ca 0.00 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.64 2r69 s HIS 193 Cb 0.00 -1.89 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2r69 s HIS 193 CO 0.00 0.11 -0.22 0.27 -0.85 0.00 0.00 174.74 174.05 2r69 n ASN 194 N 3.09 1.36 -4.78 1.40 0.23 -1.26 -4.96 115.26 110.34 2r69 n ASN 194 Ca -0.18 0.31 -0.39 0.00 -0.53 0.00 0.00 54.58 53.80 2r69 n ASN 194 Cb 0.53 -0.70 -0.06 0.00 -2.08 0.00 0.00 39.78 37.47 2r69 n ASN 194 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2r69 s SER 195 N -5.30 7.11 -0.02 0.53 1.04 -1.26 -4.74 113.70 111.06 2r69 s SER 195 Ca -0.18 1.31 0.03 0.00 0.48 0.00 0.00 55.95 57.59 2r69 s SER 195 Cb 0.02 -2.40 -0.00 0.00 0.10 0.00 0.00 66.02 63.74 2r69 s SER 195 CO 0.27 0.16 -0.09 -0.31 0.98 0.00 0.00 173.24 174.24 2r69 s TYR 196 N -0.59 0.92 -0.14 5.02 1.51 -1.26 -2.03 117.35 120.78 2r69 s TYR 196 Ca 0.32 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 56.18 2r69 s TYR 196 Cb -0.20 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 2r69 s TYR 196 CO 0.20 -0.06 -0.07 0.99 -1.11 0.00 0.00 175.55 175.50 2r69 s THR 197 N -0.01 1.10 -0.78 -0.71 2.01 0.72 -3.41 115.64 114.56 2r69 s THR 197 Ca 0.00 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 2r69 s THR 197 Cb -0.06 -1.19 0.16 0.00 0.01 0.00 0.00 72.50 71.42 2r69 s THR 197 CO 0.00 0.26 0.83 0.00 -0.69 0.00 0.00 174.62 175.02 2r69 s GLU 199 N 1.50 4.20 0.00 0.00 2.02 0.84 -4.46 118.70 122.81 2r69 s GLU 199 Ca 0.19 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.92 2r69 s GLU 199 Cb -0.13 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.49 2r69 s GLU 199 CO -0.05 -0.35 0.00 0.00 0.02 0.00 0.00 175.26 174.88 2r69 n ALA 200 N 5.43 0.00 -2.54 5.21 0.00 -1.26 0.45 120.51 127.79 2r69 n ALA 200 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2r69 n ALA 200 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 2r69 n ALA 200 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2r69 n THR 201 N 0.00 1.69 0.00 0.00 -2.24 -1.26 -4.72 114.28 107.75 2r69 n THR 201 Ca 0.00 -3.52 0.00 0.00 -2.27 0.00 0.00 64.05 58.26 2r69 n THR 201 Cb 0.00 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2r69 n THR 201 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2r69 n LYS 207 N -0.53 0.00 -4.01 -0.78 5.02 -1.26 -5.23 118.16 111.38 2r69 n LYS 207 Ca 0.21 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.24 2r69 n LYS 207 Cb 0.84 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.80 2r69 n LYS 207 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2r69 s SER 208 N 1.00 5.96 0.00 4.39 1.04 -1.26 -3.90 113.70 120.93 2r69 s SER 208 Ca 0.00 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2r69 s SER 208 Cb 0.00 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2r69 s SER 208 CO 0.00 0.06 0.00 0.33 0.98 0.00 0.00 173.24 174.61