#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 s SER 2 N 0.00 -0.50 0.03 1.61 0.01 -1.26 -5.18 113.70 108.42 1wk0 s SER 2 Ca 0.00 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.24 1wk0 s SER 2 Cb 0.00 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 1wk0 s SER 2 CO 0.00 -0.94 -0.12 -0.55 0.41 0.00 0.00 173.24 172.04 1wk0 s SER 3 N -2.72 1.42 0.00 2.44 0.15 -1.26 -5.13 113.70 108.60 1wk0 s SER 3 Ca 0.03 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1wk0 s SER 3 Cb -0.01 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wk0 s SER 3 CO -0.10 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wk0 n GLY 4 N 1.94 3.49 3.58 9.45 0.00 -1.26 -5.16 105.19 117.23 1wk0 n GLY 4 Ca -0.18 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 1wk0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk0 s SER 5 N 0.00 4.14 0.29 1.61 0.01 -1.26 -5.02 113.70 113.47 1wk0 s SER 5 Ca 0.00 -0.83 -0.01 0.00 1.31 0.00 0.00 55.95 56.42 1wk0 s SER 5 Cb 0.00 -0.60 0.65 0.00 0.21 0.00 0.00 66.02 66.28 1wk0 s SER 5 CO 0.00 -0.01 1.48 -1.54 0.41 0.00 0.00 173.24 173.58 1wk0 n SER 6 N -0.80 -0.17 -1.28 2.44 3.41 -1.26 -4.91 113.62 111.06 1wk0 n SER 6 Ca -0.06 1.61 0.00 0.00 -0.26 0.00 0.00 58.87 60.17 1wk0 n SER 6 Cb 0.60 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1wk0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wk0 n GLY 7 N -1.51 -4.08 0.08 5.00 0.00 -1.26 -4.79 105.19 98.64 1wk0 n GLY 7 Ca 0.20 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wk0 n ASP 8 N -1.68 0.69 -0.30 1.61 -0.08 -1.26 -4.27 116.55 111.27 1wk0 n ASP 8 Ca 0.00 0.33 0.20 0.00 -1.51 0.00 0.00 54.79 53.81 1wk0 n ASP 8 Cb 0.20 0.17 0.38 0.00 2.34 0.00 0.00 41.12 44.22 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wk0 n GLU 9 N -2.97 -0.06 0.00 -0.67 -0.58 -1.26 0.22 120.64 115.32 1wk0 n GLU 9 Ca -0.20 1.28 -0.13 0.00 -0.42 0.00 0.00 57.16 57.70 1wk0 n GLU 9 Cb 1.06 -2.16 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1wk0 h GLU 10 N 0.00 0.61 -0.70 3.49 4.39 -1.87 -3.05 114.58 117.46 1wk0 h GLU 10 Ca 0.64 -0.46 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1wk0 h GLU 10 Cb 1.52 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.23 1wk0 h GLU 10 CO -0.77 1.08 0.23 1.15 -1.16 0.00 0.00 179.01 179.54 1wk0 h THR 11 N 0.44 1.25 -0.10 1.13 2.02 0.26 -2.66 112.91 115.24 1wk0 h THR 11 Ca -0.02 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1wk0 h THR 11 Cb 1.27 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 1wk0 h THR 11 CO 0.13 0.33 0.05 0.11 0.37 0.00 0.00 175.52 176.51 1wk0 h LYS 12 N 1.03 0.15 -0.52 6.66 1.57 -0.76 -1.61 116.57 123.09 1wk0 h LYS 12 Ca 0.23 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.08 1wk0 h LYS 12 Cb 0.27 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1wk0 h LYS 12 CO -0.01 0.23 0.35 0.00 -0.57 0.00 0.00 179.45 179.45 1wk0 h ALA 13 N 0.91 2.07 -0.03 3.86 0.00 -1.41 -0.71 119.26 123.95 1wk0 h ALA 13 Ca 0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1wk0 h ALA 13 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wk0 h ALA 13 CO -0.00 -0.19 -0.82 0.74 0.00 0.00 0.00 179.25 178.98 1wk0 h PHE 14 N 0.32 0.46 -0.14 0.00 0.04 -1.10 0.18 116.94 116.69 1wk0 h PHE 14 Ca 0.24 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1wk0 h PHE 14 Cb 0.53 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1wk0 h PHE 14 CO -0.00 1.01 -0.11 0.93 -0.60 0.00 0.00 178.31 179.54 1wk0 h GLU 15 N 0.20 0.22 0.03 1.51 5.08 -0.16 0.05 114.58 121.50 1wk0 h GLU 15 Ca -0.05 -0.04 -0.33 0.00 -1.00 0.00 0.00 59.36 57.94 1wk0 h GLU 15 Cb 1.42 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1wk0 h GLU 15 CO 0.13 0.34 -1.82 0.00 -1.00 0.00 0.00 179.01 176.66 1wk0 n ALA 16 N -2.49 0.95 0.20 3.43 0.00 -0.99 -3.83 120.51 117.77 1wk0 n ALA 16 Ca -0.01 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.59 1wk0 n ALA 16 Cb 0.25 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 1wk0 n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wk0 h LEU 17 N -0.66 -0.50 -2.33 0.00 5.85 -0.65 -1.59 115.31 115.44 1wk0 h LEU 17 Ca -0.46 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1wk0 h LEU 17 Cb 1.60 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 1wk0 h LEU 17 CO -0.18 -0.32 0.16 -0.07 -0.34 0.00 0.00 178.44 177.70 1wk0 h LEU 18 N -0.50 0.00 -3.72 2.25 3.38 -1.18 0.90 115.31 116.43 1wk0 h LEU 18 Ca -0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 1wk0 h LEU 18 Cb 0.42 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.95 1wk0 h LEU 18 CO 0.03 0.00 0.34 -1.54 0.09 0.00 0.00 178.44 177.36 1wk0 n SER 19 N -3.66 3.34 -0.37 -0.43 3.41 -0.66 -4.20 113.62 111.04 1wk0 n SER 19 Ca 0.00 -3.64 0.08 0.00 -0.26 0.00 0.00 58.87 55.05 1wk0 n SER 19 Cb 0.27 -0.75 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wk0 n ASN 20 N -1.06 1.93 -4.67 4.04 2.85 0.31 -4.84 115.26 113.82 1wk0 n ASN 20 Ca 0.48 -3.37 -0.24 0.00 -0.11 0.00 0.00 54.58 51.34 1wk0 n ASN 20 Cb 1.40 -0.46 0.11 0.00 1.24 0.00 0.00 39.78 42.07 1wk0 n ASN 20 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1wk0 s ILE 21 N -2.83 2.18 -0.10 -1.44 -0.00 -1.26 -1.97 121.20 115.78 1wk0 s ILE 21 Ca 0.33 -0.52 0.00 0.00 -0.00 0.00 0.00 60.65 60.46 1wk0 s ILE 21 Cb 0.31 -2.66 -0.02 0.00 -0.00 0.00 0.00 42.46 40.09 1wk0 s ILE 21 CO -0.02 0.00 -0.10 -0.69 -0.00 0.00 0.00 174.94 174.13 1wk0 s VAL 22 N -3.19 3.39 0.36 8.37 1.01 -1.25 -4.84 120.40 124.27 1wk0 s VAL 22 Ca 0.66 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1wk0 s VAL 22 Cb -0.06 -2.41 -0.14 0.00 0.00 0.00 0.00 36.38 33.77 1wk0 s VAL 22 CO 0.45 0.55 0.59 2.29 0.00 0.00 0.00 175.10 178.97 1wk0 n LYS 23 N 2.93 0.57 -1.25 2.72 2.85 -1.26 -4.27 118.16 120.46 1wk0 n LYS 23 Ca -0.18 0.21 -0.31 0.00 -1.05 0.00 0.00 58.31 56.98 1wk0 n LYS 23 Cb 0.53 -1.45 0.09 0.00 -0.65 0.00 0.00 35.03 33.55 1wk0 n LYS 23 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1wk0 s PRO 24 N -1.45 2.22 -0.02 -1.58 0.04 -1.26 -4.79 135.00 128.17 1wk0 s PRO 24 Ca 0.62 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1wk0 s PRO 24 Cb -0.67 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 1wk0 s PRO 24 CO 0.58 -1.66 -0.12 0.08 0.04 0.00 0.00 177.00 175.92 1wk0 s VAL 25 N -2.90 1.00 -0.02 -0.36 1.01 -0.54 -4.67 120.40 113.91 1wk0 s VAL 25 Ca 0.61 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1wk0 s VAL 25 Cb -0.17 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1wk0 s VAL 25 CO 0.56 0.30 0.44 0.00 0.00 0.00 0.00 175.10 176.39 1wk0 s ALA 26 N -0.04 3.63 0.00 5.51 0.00 -1.26 -1.28 121.76 128.32 1wk0 s ALA 26 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1wk0 s ALA 26 Cb -0.08 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1wk0 s ALA 26 CO 0.00 0.36 0.00 0.43 0.00 0.00 0.00 175.76 176.55 1wk0 n SER 27 N 2.26 0.00 -2.85 0.00 7.64 -0.98 -4.88 113.62 114.82 1wk0 n SER 27 Ca -0.12 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.53 1wk0 n SER 27 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1wk0 n SER 27 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wk0 n ASP 28 N -1.67 5.93 -4.62 6.43 2.03 -1.26 -4.87 116.55 118.53 1wk0 n ASP 28 Ca 0.00 -2.39 -0.43 0.00 0.52 0.00 0.00 54.79 52.50 1wk0 n ASP 28 Cb 0.00 -1.26 -0.03 0.00 -0.72 0.00 0.00 41.12 39.12 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wk0 s ILE 29 N 2.30 3.62 0.27 5.18 1.01 -1.26 -2.79 121.20 129.52 1wk0 s ILE 29 Ca 0.54 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.89 1wk0 s ILE 29 Cb 0.18 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1wk0 s ILE 29 CO -0.03 -0.32 0.16 0.00 0.00 0.00 0.00 174.94 174.75 1wk0 n GLN 30 N 7.86 1.15 0.00 2.79 6.02 0.24 -4.71 117.38 130.73 1wk0 n GLN 30 Ca 0.20 -1.71 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 1wk0 n GLN 30 Cb 0.45 0.24 0.00 0.00 1.02 0.00 0.00 30.24 31.96 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk0 n ALA 31 N -2.39 0.00 -0.03 -1.58 0.00 -1.26 -3.51 120.51 111.74 1wk0 n ALA 31 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1wk0 n ALA 31 Cb 0.31 0.40 -0.05 0.00 0.00 0.00 0.00 19.45 20.10 1wk0 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk0 n ARG 32 N -2.40 2.48 -3.39 0.00 3.00 -1.26 -3.47 116.66 111.62 1wk0 n ARG 32 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.85 57.55 1wk0 n ARG 32 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 1wk0 n ARG 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wk0 s THR 33 N -2.22 5.07 0.17 0.55 -4.23 -1.26 -4.06 115.64 109.67 1wk0 s THR 33 Ca -0.03 -0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.15 1wk0 s THR 33 Cb 0.02 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 70.14 1wk0 s THR 33 CO 0.29 -0.37 0.53 0.68 -0.54 0.00 0.00 174.62 175.21 1wk0 s VAL 34 N -2.12 0.03 -0.45 2.29 -7.23 -1.20 0.79 120.40 112.50 1wk0 s VAL 34 Ca 0.42 -0.48 -0.10 0.00 -1.81 0.00 0.00 61.98 60.02 1wk0 s VAL 34 Cb -0.10 -1.30 0.10 0.00 0.56 0.00 0.00 36.38 35.64 1wk0 s VAL 34 CO 0.32 -0.13 0.32 -0.69 -0.31 0.00 0.00 175.10 174.61 1wk0 s VAL 35 N -3.82 4.34 -0.21 1.32 1.01 -1.12 -1.31 120.40 120.61 1wk0 s VAL 35 Ca 0.05 -1.54 -0.16 0.00 0.00 0.00 0.00 61.98 60.33 1wk0 s VAL 35 Cb -0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1wk0 s VAL 35 CO -0.08 -0.64 0.39 -0.22 0.00 0.00 0.00 175.10 174.55 1wk0 s LEU 36 N 1.42 4.14 -0.15 3.92 2.96 -0.57 -2.31 118.68 128.09 1wk0 s LEU 36 Ca 0.04 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1wk0 s LEU 36 Cb -0.25 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 43.96 1wk0 s LEU 36 CO 0.01 -0.09 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.84 1wk0 s THR 37 N 1.44 2.04 0.05 3.68 2.01 -0.41 -2.43 115.64 122.02 1wk0 s THR 37 Ca 0.18 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1wk0 s THR 37 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1wk0 s THR 37 CO 0.08 0.54 -0.06 -1.66 -0.69 0.00 0.00 174.62 172.83 1wk0 s TRP 38 N 0.92 0.63 0.20 4.92 -2.14 -1.25 -1.47 118.94 120.76 1wk0 s TRP 38 Ca -0.04 -0.66 -0.00 0.00 2.66 0.00 0.00 56.10 58.06 1wk0 s TRP 38 Cb -0.15 -0.39 -0.04 0.00 -3.10 0.00 0.00 33.47 29.79 1wk0 s TRP 38 CO -0.04 -0.15 0.38 -1.12 -2.66 0.00 0.00 176.95 173.36 1wk0 s SER 39 N -2.03 6.38 0.95 -2.66 0.01 -1.26 -4.66 113.70 110.43 1wk0 s SER 39 Ca -0.04 0.37 -0.12 0.00 1.31 0.00 0.00 55.95 57.47 1wk0 s SER 39 Cb -0.05 -2.00 0.16 0.00 0.21 0.00 0.00 66.02 64.35 1wk0 s SER 39 CO -0.02 -0.04 1.09 -2.16 0.41 0.00 0.00 173.24 172.52 1wk0 s PRO 40 N -3.35 0.81 0.58 12.44 0.04 -1.26 -3.75 135.00 140.51 1wk0 s PRO 40 Ca 0.38 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 1wk0 s PRO 40 Cb -0.11 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wk0 s PRO 40 CO 0.29 -2.51 1.12 -1.25 0.04 0.00 0.00 177.00 174.70 1wk0 s PRO 41 N -4.95 3.17 -0.27 0.56 0.04 -1.26 -4.51 135.00 127.78 1wk0 s PRO 41 Ca 0.64 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 1wk0 s PRO 41 Cb -0.18 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1wk0 s PRO 41 CO 0.57 -0.98 0.50 -1.12 0.04 0.00 0.00 177.00 176.02 1wk0 s SER 42 N -2.05 6.40 -0.03 6.66 0.01 -0.83 -4.90 113.70 118.95 1wk0 s SER 42 Ca 0.71 0.42 -0.30 0.00 1.31 0.00 0.00 55.95 58.09 1wk0 s SER 42 Cb -0.23 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1wk0 s SER 42 CO 0.32 -0.31 1.39 -0.94 0.41 0.00 0.00 173.24 174.11 1wk0 s SER 43 N 1.59 6.86 -0.19 2.44 1.04 -1.26 -4.80 113.70 119.38 1wk0 s SER 43 Ca 0.20 2.04 0.15 0.00 0.48 0.00 0.00 55.95 58.83 1wk0 s SER 43 Cb -0.16 -2.55 0.79 0.00 0.10 0.00 0.00 66.02 64.20 1wk0 s SER 43 CO 0.10 -0.73 1.71 0.18 0.98 0.00 0.00 173.24 175.47 1wk0 n LEU 44 N 5.71 5.40 0.16 2.42 4.77 -1.26 -4.43 117.00 129.77 1wk0 n LEU 44 Ca 0.13 -2.74 0.11 0.00 -0.03 0.00 0.00 56.01 53.49 1wk0 n LEU 44 Cb 0.44 -0.65 0.57 0.00 -2.33 0.00 0.00 43.42 41.44 1wk0 n LEU 44 CO 0.58 0.69 0.82 -0.38 -1.33 0.00 0.00 177.39 177.78 1wk0 n ILE 45 N 0.81 1.05 -1.73 -0.08 5.41 -1.26 -4.81 119.36 118.75 1wk0 n ILE 45 Ca 0.27 0.70 -0.08 0.00 1.00 0.00 0.00 62.75 64.64 1wk0 n ILE 45 Cb 1.09 -1.69 -0.02 0.00 -0.71 0.00 0.00 39.64 38.31 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1wk0 n ASN 46 N -2.23 -3.32 0.00 4.38 5.03 -1.26 -2.64 115.26 115.21 1wk0 n ASN 46 Ca -0.01 0.08 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1wk0 n ASN 46 Cb 0.05 -2.12 0.00 0.00 -1.02 0.00 0.00 39.78 36.68 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wk0 n GLY 47 N -1.48 1.78 0.59 7.41 0.00 -1.26 -4.83 105.19 107.40 1wk0 n GLY 47 Ca -0.09 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.34 1wk0 n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wk0 h GLU 48 N 1.71 0.00 -6.16 1.61 4.22 -1.90 -3.40 114.58 110.66 1wk0 h GLU 48 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.90 1wk0 h GLU 48 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1wk0 h GLU 48 CO 0.00 0.00 -0.59 -0.08 -2.18 0.00 0.00 179.01 176.16 1wk0 s THR 49 N -4.86 3.44 0.23 0.32 -1.32 -1.26 -5.08 115.64 107.10 1wk0 s THR 49 Ca -0.05 -1.76 -0.32 0.00 -1.21 0.00 0.00 61.69 58.35 1wk0 s THR 49 Cb 0.23 -2.97 -0.13 0.00 -1.51 0.00 0.00 72.50 68.12 1wk0 s THR 49 CO 0.80 -0.30 1.56 0.47 -2.21 0.00 0.00 174.62 174.93 1wk0 n ASP 50 N -1.03 3.33 -0.01 8.08 9.92 -1.26 -4.86 116.55 130.73 1wk0 n ASP 50 Ca -0.05 1.11 0.10 0.00 -0.53 0.00 0.00 54.79 55.42 1wk0 n ASP 50 Cb 0.60 -1.49 0.51 0.00 -0.64 0.00 0.00 41.12 40.09 1wk0 n ASP 50 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1wk0 h GLU 51 N 5.28 0.36 -1.26 -1.24 4.11 -1.98 -1.52 114.58 118.33 1wk0 h GLU 51 Ca -0.45 -0.02 -0.54 0.00 0.07 0.00 0.00 59.36 58.42 1wk0 h GLU 51 Cb 1.24 -0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.19 1wk0 h GLU 51 CO 0.84 0.23 0.69 0.43 0.07 0.00 0.00 179.01 181.27 1wk0 n SER 52 N -4.47 7.19 0.01 3.06 7.64 -1.26 -4.41 113.62 121.37 1wk0 n SER 52 Ca 0.06 -3.49 -0.01 0.00 1.01 0.00 0.00 58.87 56.44 1wk0 n SER 52 Cb 0.26 -1.02 -0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wk0 n SER 53 N -0.36 0.66 -3.07 6.43 2.88 -0.57 -5.05 113.62 114.54 1wk0 n SER 53 Ca 0.49 0.09 -0.34 0.00 -1.33 0.00 0.00 58.87 57.79 1wk0 n SER 53 Cb 0.61 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wk0 n VAL 54 N -3.12 1.39 -1.38 2.46 0.24 -1.26 -4.87 118.33 111.80 1wk0 n VAL 54 Ca -0.02 -0.35 -0.31 0.00 -2.04 0.00 0.00 64.34 61.62 1wk0 n VAL 54 Cb 0.07 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.52 1wk0 n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wk0 s PRO 55 N -0.69 2.38 -0.08 7.34 0.04 -1.26 -4.99 135.00 137.73 1wk0 s PRO 55 Ca 0.45 1.23 0.12 0.00 0.04 0.00 0.00 61.00 62.84 1wk0 s PRO 55 Cb -0.65 -1.91 0.23 0.00 0.04 0.00 0.00 34.50 32.21 1wk0 s PRO 55 CO 0.39 -1.56 1.11 -0.85 0.04 0.00 0.00 177.00 176.14 1wk0 n GLU 56 N -3.26 0.75 -0.65 4.56 0.28 -1.26 -4.73 120.64 116.33 1wk0 n GLU 56 Ca 0.09 -2.09 0.02 0.00 -0.16 0.00 0.00 57.16 55.02 1wk0 n GLU 56 Cb 0.53 -1.01 0.25 0.00 1.43 0.00 0.00 31.44 32.63 1wk0 n GLU 56 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wk0 n LEU 57 N -0.70 4.32 -4.49 -1.84 7.99 -1.26 -4.92 117.00 116.10 1wk0 n LEU 57 Ca 0.10 -3.29 -0.46 0.00 -0.01 0.00 0.00 56.01 52.35 1wk0 n LEU 57 Cb 0.72 -0.61 -0.07 0.00 -0.11 0.00 0.00 43.42 43.36 1wk0 n LEU 57 CO -0.01 0.88 1.89 -1.22 -1.51 0.00 0.00 177.39 177.42 1wk0 n TYR 58 N -0.67 1.52 -1.54 -1.77 4.01 -1.26 -4.74 117.16 112.70 1wk0 n TYR 58 Ca 0.28 0.20 -0.42 0.00 -0.16 0.00 0.00 57.90 57.81 1wk0 n TYR 58 Cb 1.02 -2.56 -0.05 0.00 -0.31 0.00 0.00 39.34 37.44 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wk0 n GLY 59 N 6.34 0.41 3.46 2.72 0.00 -0.53 -4.64 105.19 112.96 1wk0 n GLY 59 Ca 0.41 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.80 1wk0 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk0 s TYR 60 N 9.80 3.15 -0.14 1.61 2.02 0.40 -1.09 117.35 133.10 1wk0 s TYR 60 Ca 1.05 -0.48 -0.06 0.00 -0.37 0.00 0.00 57.07 57.21 1wk0 s TYR 60 Cb -0.47 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.97 1wk0 s TYR 60 CO 0.36 -0.79 0.08 -2.00 -1.57 0.00 0.00 175.55 171.63 1wk0 s GLU 61 N 2.18 3.62 -0.13 -0.62 2.12 0.44 -2.63 118.70 123.67 1wk0 s GLU 61 Ca 0.12 -0.27 -0.17 0.00 0.36 0.00 0.00 54.97 55.00 1wk0 s GLU 61 Cb -0.18 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1wk0 s GLU 61 CO 0.12 0.54 0.45 0.08 -0.54 0.00 0.00 175.26 175.91 1wk0 s VAL 62 N -0.36 5.20 -0.24 3.70 1.01 0.83 -0.78 120.40 129.76 1wk0 s VAL 62 Ca 0.10 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1wk0 s VAL 62 Cb -0.12 -3.79 0.04 0.00 0.00 0.00 0.00 36.38 32.51 1wk0 s VAL 62 CO 0.02 0.32 -0.12 -0.76 0.00 0.00 0.00 175.10 174.56 1wk0 s LEU 63 N 0.71 3.02 0.09 3.92 1.43 -1.03 -2.80 118.68 124.02 1wk0 s LEU 63 Ca 0.24 -1.06 0.10 0.00 -1.03 0.00 0.00 54.13 52.38 1wk0 s LEU 63 Cb -0.15 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1wk0 s LEU 63 CO 0.09 -0.12 -0.26 0.27 0.23 0.00 0.00 176.35 176.56 1wk0 s ILE 64 N 1.21 2.12 -0.54 -0.59 -4.36 -1.10 -1.97 121.20 115.97 1wk0 s ILE 64 Ca -0.03 -1.55 0.07 0.00 -0.26 0.00 0.00 60.65 58.88 1wk0 s ILE 64 Cb -0.17 -1.85 0.25 0.00 1.25 0.00 0.00 42.46 41.93 1wk0 s ILE 64 CO -0.07 0.20 0.65 -0.24 0.24 0.00 0.00 174.94 175.72 1wk0 n SER 65 N 1.35 2.33 0.01 4.36 2.88 -1.24 -2.25 113.62 121.06 1wk0 n SER 65 Ca -0.18 -3.14 0.19 0.00 -1.33 0.00 0.00 58.87 54.41 1wk0 n SER 65 Cb 0.53 -0.66 0.39 0.00 -0.75 0.00 0.00 64.21 63.72 1wk0 n SER 65 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wk0 h SER 66 N 4.16 0.00 0.01 -3.46 0.02 -1.90 -1.24 113.55 111.14 1wk0 h SER 66 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1wk0 h SER 66 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1wk0 h SER 66 CO 0.69 0.00 -0.01 0.74 -1.14 0.00 0.00 176.83 177.11 1wk0 h THR 67 N 0.00 0.00 -1.40 -2.27 2.02 -1.91 -3.46 112.91 105.89 1wk0 h THR 67 Ca 0.28 -0.02 0.12 0.00 0.77 0.00 0.00 66.41 67.56 1wk0 h THR 67 Cb 2.27 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 68.39 1wk0 h THR 67 CO -0.00 0.00 0.58 -0.83 0.37 0.00 0.00 175.52 175.63 1wk0 s GLY 68 N -1.70 0.09 0.51 2.16 0.00 -0.47 -5.01 107.32 102.90 1wk0 s GLY 68 Ca -0.00 3.12 0.33 0.00 0.00 0.00 0.00 44.72 48.17 1wk0 s GLY 68 CO 0.01 2.13 1.78 1.70 0.00 0.00 0.00 173.10 178.72 1wk0 h LYS 69 N 4.45 0.08 -2.13 2.90 3.64 -1.96 -0.54 116.57 123.01 1wk0 h LYS 69 Ca -0.28 -0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.46 1wk0 h LYS 69 Cb 1.18 -0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.79 1wk0 h LYS 69 CO 0.16 0.05 0.97 -0.25 -2.27 0.00 0.00 179.45 178.11 1wk0 n ASP 70 N -4.28 7.09 0.00 4.20 8.00 -1.26 -4.81 116.55 125.48 1wk0 n ASP 70 Ca 0.27 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1wk0 n ASP 70 Cb 1.21 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wk0 n GLY 71 N 0.60 3.87 3.16 0.44 0.00 -0.21 -5.16 105.19 107.88 1wk0 n GLY 71 Ca 0.52 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1wk0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wk0 s LYS 72 N 3.58 2.35 0.36 1.61 2.47 -1.26 -5.07 119.74 123.77 1wk0 s LYS 72 Ca 0.00 -0.70 -0.02 0.00 -1.56 0.00 0.00 55.97 53.69 1wk0 s LYS 72 Cb 0.00 -1.88 -0.04 0.00 -1.46 0.00 0.00 37.83 34.45 1wk0 s LYS 72 CO 0.00 0.18 0.60 0.71 0.16 0.00 0.00 175.35 177.01 1wk0 s TYR 73 N 0.29 3.51 0.23 4.03 1.51 -1.26 -4.70 117.35 120.96 1wk0 s TYR 73 Ca -0.12 0.53 0.04 0.00 -1.01 0.00 0.00 57.07 56.50 1wk0 s TYR 73 Cb -0.15 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.61 1wk0 s TYR 73 CO 0.05 0.04 -0.01 -1.59 -1.11 0.00 0.00 175.55 172.93 1wk0 s LYS 74 N -4.23 1.35 -0.09 -0.62 -2.85 -0.96 -4.95 119.74 107.39 1wk0 s LYS 74 Ca 0.43 -1.68 -0.12 0.00 -1.00 0.00 0.00 55.97 53.59 1wk0 s LYS 74 Cb -0.10 -0.67 -0.05 0.00 -2.06 0.00 0.00 37.83 34.96 1wk0 s LYS 74 CO 0.37 -0.08 0.30 -1.54 0.10 0.00 0.00 175.35 174.49 1wk0 s SER 75 N -3.31 6.57 0.00 0.03 1.04 -1.26 -2.70 113.70 114.06 1wk0 s SER 75 Ca 0.28 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1wk0 s SER 75 Cb 0.05 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1wk0 s SER 75 CO 0.09 0.27 0.00 1.33 0.98 0.00 0.00 173.24 175.91 1wk0 n VAL 76 N 2.47 0.00 -3.57 5.02 0.24 -1.12 -5.02 118.33 116.35 1wk0 n VAL 76 Ca -0.15 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.00 1wk0 n VAL 76 Cb 0.53 -0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 32.19 1wk0 n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1wk0 s TYR 77 N -1.91 -0.69 -0.28 6.34 6.14 -1.26 -4.88 117.35 120.82 1wk0 s TYR 77 Ca 0.00 1.44 0.01 0.00 0.64 0.00 0.00 57.07 59.16 1wk0 s TYR 77 Cb 0.00 0.35 0.17 0.00 0.42 0.00 0.00 41.96 42.90 1wk0 s TYR 77 CO 0.00 -0.49 0.48 0.54 0.64 0.00 0.00 175.55 176.72 1wk0 s VAL 78 N -0.47 -0.78 0.00 3.14 0.11 -1.26 -0.12 120.40 121.03 1wk0 s VAL 78 Ca -0.05 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1wk0 s VAL 78 Cb -0.02 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1wk0 s VAL 78 CO 0.05 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1wk0 n GLY 79 N 5.39 5.44 0.03 6.54 0.00 -1.08 -4.86 105.19 116.65 1wk0 n GLY 79 Ca -0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 1wk0 n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk0 n GLU 80 N 0.00 1.57 -1.96 1.61 4.71 -1.26 -0.45 120.64 124.85 1wk0 n GLU 80 Ca 0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.16 56.69 1wk0 n GLU 80 Cb 0.00 -1.25 -0.03 0.00 -1.01 0.00 0.00 31.44 29.15 1wk0 n GLU 80 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1wk0 s GLU 81 N -2.44 4.21 0.22 3.49 2.02 -1.26 -4.73 118.70 120.21 1wk0 s GLU 81 Ca -0.04 2.30 -0.08 0.00 0.02 0.00 0.00 54.97 57.16 1wk0 s GLU 81 Cb 0.04 -3.48 0.25 0.00 0.10 0.00 0.00 34.13 31.04 1wk0 s GLU 81 CO 0.42 -0.68 1.84 1.79 0.02 0.00 0.00 175.26 178.65 1wk0 h THR 82 N 4.62 1.04 -3.16 3.63 1.35 -1.94 -3.40 112.91 115.05 1wk0 h THR 82 Ca -0.42 -0.29 -0.61 0.00 -0.55 0.00 0.00 66.41 64.54 1wk0 h THR 82 Cb 1.20 0.12 -0.11 0.00 -1.73 0.00 0.00 68.15 67.63 1wk0 h THR 82 CO 0.92 0.15 -0.49 0.21 -0.25 0.00 0.00 175.52 176.07 1wk0 s ASN 83 N -5.71 6.25 0.17 5.36 3.84 -1.26 -3.79 114.94 119.79 1wk0 s ASN 83 Ca -0.13 0.28 -0.09 0.00 0.21 0.00 0.00 52.86 53.13 1wk0 s ASN 83 Cb 0.16 -2.09 -0.01 0.00 -0.55 0.00 0.00 41.25 38.77 1wk0 s ASN 83 CO 0.77 0.22 0.29 0.27 -2.79 0.00 0.00 177.10 175.86 1wk0 s ILE 84 N 0.11 0.06 -0.13 -5.21 -5.25 -1.02 -5.04 121.20 104.72 1wk0 s ILE 84 Ca 0.09 -1.42 -0.01 0.00 -0.99 0.00 0.00 60.65 58.32 1wk0 s ILE 84 Cb -0.11 -1.90 -0.02 0.00 2.95 0.00 0.00 42.46 43.38 1wk0 s ILE 84 CO -0.01 -0.26 -0.09 -0.89 -1.79 0.00 0.00 174.94 171.90 1wk0 s THR 85 N -3.98 3.45 0.40 8.37 2.01 -1.26 -1.51 115.64 123.12 1wk0 s THR 85 Ca 0.19 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.43 1wk0 s THR 85 Cb 0.03 -2.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.98 1wk0 s THR 85 CO 0.01 0.52 1.01 -0.76 -0.69 0.00 0.00 174.62 174.71 1wk0 s LEU 86 N 0.18 4.11 0.06 4.42 2.01 -0.42 -4.88 118.68 124.16 1wk0 s LEU 86 Ca -0.05 1.92 -0.09 0.00 0.01 0.00 0.00 54.13 55.92 1wk0 s LEU 86 Cb -0.14 -4.26 -0.00 0.00 0.01 0.00 0.00 46.19 41.79 1wk0 s LEU 86 CO 0.04 -0.42 0.18 0.20 1.01 0.00 0.00 176.35 177.36 1wk0 s ASN 87 N -1.74 0.09 -0.44 2.29 0.01 -1.26 -3.25 114.94 110.64 1wk0 s ASN 87 Ca 0.58 -0.53 -0.01 0.00 -0.71 0.00 0.00 52.86 52.19 1wk0 s ASN 87 Cb -0.18 0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.79 1wk0 s ASN 87 CO 0.23 -0.64 0.12 -0.67 -1.51 0.00 0.00 177.10 174.63 1wk0 n ASP 88 N 0.32 -2.66 -4.89 -1.22 -0.08 -1.26 -5.00 116.55 101.75 1wk0 n ASP 88 Ca -0.17 -0.06 -0.20 0.00 -1.51 0.00 0.00 54.79 52.85 1wk0 n ASP 88 Cb 0.61 -1.71 -0.03 0.00 2.34 0.00 0.00 41.12 42.33 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wk0 s LEU 89 N -2.04 3.47 -0.29 -2.67 1.43 -1.26 -5.10 118.68 112.23 1wk0 s LEU 89 Ca 0.06 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1wk0 s LEU 89 Cb -0.03 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1wk0 s LEU 89 CO 0.07 -0.60 0.17 -0.75 0.23 0.00 0.00 176.35 175.48 1wk0 s LYS 90 N -4.12 3.77 0.48 1.70 2.20 -1.26 -4.69 119.74 117.81 1wk0 s LYS 90 Ca 0.47 -0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 55.43 1wk0 s LYS 90 Cb -0.05 -3.60 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1wk0 s LYS 90 CO 0.28 -0.24 1.15 -1.25 -0.36 0.00 0.00 175.35 174.93 1wk0 s PRO 91 N 1.71 3.65 -0.43 4.03 0.04 -1.23 -3.88 135.00 138.90 1wk0 s PRO 91 Ca 0.07 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1wk0 s PRO 91 Cb -0.16 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1wk0 s PRO 91 CO 0.09 -0.63 0.36 0.00 0.04 0.00 0.00 177.00 176.86 1wk0 n ALA 92 N -0.71 -0.57 -2.43 8.56 0.00 0.42 -4.68 120.51 121.11 1wk0 n ALA 92 Ca 0.08 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 1wk0 n ALA 92 Cb 0.49 -1.61 -0.08 0.00 0.00 0.00 0.00 19.45 18.25 1wk0 n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wk0 s MET 93 N -4.90 1.54 -0.12 0.00 0.00 -1.02 -4.95 119.30 109.86 1wk0 s MET 93 Ca 0.09 -1.76 -0.04 0.00 0.00 0.00 0.00 55.69 53.98 1wk0 s MET 93 Cb -0.04 0.34 0.06 0.00 0.00 0.00 0.00 34.83 35.18 1wk0 s MET 93 CO 0.24 -0.57 0.16 0.34 0.00 0.00 0.00 175.02 175.19 1wk0 s ASP 94 N -3.24 1.08 0.25 1.11 2.15 -1.26 -0.39 116.67 116.37 1wk0 s ASP 94 Ca 0.37 0.10 -0.07 0.00 0.43 0.00 0.00 52.55 53.38 1wk0 s ASP 94 Cb 0.03 0.21 -0.02 0.00 -0.30 0.00 0.00 42.92 42.85 1wk0 s ASP 94 CO 0.19 -0.27 0.35 -0.72 -0.17 0.00 0.00 175.17 174.54 1wk0 s TYR 95 N 2.28 0.77 0.45 -5.34 -0.85 -1.26 -4.99 117.35 108.41 1wk0 s TYR 95 Ca 0.04 -1.06 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 1wk0 s TYR 95 Cb -0.13 -0.13 -0.00 0.00 0.38 0.00 0.00 41.96 42.07 1wk0 s TYR 95 CO -0.07 -0.89 0.66 -1.01 -1.52 0.00 0.00 175.55 172.73 1wk0 s HIS 96 N -3.92 3.23 -0.19 -3.49 3.76 -1.26 -1.95 115.29 111.47 1wk0 s HIS 96 Ca 0.30 0.23 -0.15 0.00 -0.15 0.00 0.00 55.06 55.29 1wk0 s HIS 96 Cb 0.02 -2.30 0.05 0.00 1.11 0.00 0.00 32.58 31.47 1wk0 s HIS 96 CO 0.12 -0.34 0.48 0.00 -0.85 0.00 0.00 174.74 174.15 1wk0 s ALA 97 N -2.54 -1.21 0.24 -1.40 0.00 0.17 -3.63 121.76 113.39 1wk0 s ALA 97 Ca 0.48 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.95 1wk0 s ALA 97 Cb -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 1wk0 s ALA 97 CO 0.38 -0.25 0.06 1.63 0.00 0.00 0.00 175.76 177.57 1wk0 n LYS 98 N 3.35 0.91 -3.62 0.00 5.02 -0.83 0.11 118.16 123.10 1wk0 n LYS 98 Ca -0.17 -1.97 -0.13 0.00 -2.02 0.00 0.00 58.31 54.03 1wk0 n LYS 98 Cb 0.56 0.90 -0.12 0.00 -0.02 0.00 0.00 35.03 36.35 1wk0 n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wk0 s VAL 99 N -2.28 -0.46 -0.10 -0.18 0.11 -1.26 -2.45 120.40 113.77 1wk0 s VAL 99 Ca 0.08 0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.29 1wk0 s VAL 99 Cb 0.00 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1wk0 s VAL 99 CO 0.06 0.06 0.07 -1.58 -3.33 0.00 0.00 175.10 170.38 1wk0 s GLN 100 N 2.45 3.21 -0.15 1.54 0.74 0.04 -3.26 119.66 124.23 1wk0 s GLN 100 Ca 0.02 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.11 1wk0 s GLN 100 Cb -0.13 -2.99 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 1wk0 s GLN 100 CO -0.10 0.74 -0.01 0.00 -0.55 0.00 0.00 175.29 175.36 1wk0 s ALA 101 N -0.97 3.12 -0.03 1.58 0.00 -1.25 -0.42 121.76 123.79 1wk0 s ALA 101 Ca 0.15 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1wk0 s ALA 101 Cb -0.12 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1wk0 s ALA 101 CO 0.04 0.27 -0.11 -2.00 0.00 0.00 0.00 175.76 173.96 1wk0 s GLU 102 N 0.15 1.14 -0.16 0.00 2.12 -0.25 -3.64 118.70 118.07 1wk0 s GLU 102 Ca 0.00 -0.38 -0.10 0.00 0.36 0.00 0.00 54.97 54.85 1wk0 s GLU 102 Cb -0.13 -1.05 0.05 0.00 0.26 0.00 0.00 34.13 33.26 1wk0 s GLU 102 CO 0.02 0.15 0.39 -0.47 -0.54 0.00 0.00 175.26 174.81 1wk0 s TYR 103 N 0.13 -0.52 -1.36 5.30 6.14 -1.02 -1.45 117.35 124.56 1wk0 s TYR 103 Ca -0.03 1.16 -0.09 0.00 0.64 0.00 0.00 57.07 58.75 1wk0 s TYR 103 Cb -0.09 0.21 0.01 0.00 0.42 0.00 0.00 41.96 42.51 1wk0 s TYR 103 CO 0.01 -0.29 1.17 -1.71 0.64 0.00 0.00 175.55 175.37 1wk0 n ASN 104 N 3.82 -6.08 -2.36 4.32 5.15 -1.26 -1.46 115.26 117.38 1wk0 n ASN 104 Ca -0.20 -0.56 -0.20 0.00 -0.60 0.00 0.00 54.58 53.02 1wk0 n ASN 104 Cb 0.56 -4.97 -0.00 0.00 -0.53 0.00 0.00 39.78 34.84 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wk0 n SER 105 N -3.01 -5.71 -4.13 1.20 7.64 -1.26 -4.97 113.62 103.37 1wk0 n SER 105 Ca -0.00 -0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.48 1wk0 n SER 105 Cb 0.56 -4.70 -0.15 0.00 -1.01 0.00 0.00 64.21 58.92 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wk0 s ILE 106 N -3.02 2.54 -0.24 0.44 1.01 -0.54 -5.10 121.20 116.30 1wk0 s ILE 106 Ca 0.05 -1.34 -0.11 0.00 0.00 0.00 0.00 60.65 59.24 1wk0 s ILE 106 Cb -0.02 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1wk0 s ILE 106 CO 0.06 0.07 0.20 -0.54 0.00 0.00 0.00 174.94 174.74 1wk0 s LYS 107 N 1.22 4.08 0.00 2.79 1.02 -1.26 -2.45 119.74 125.13 1wk0 s LYS 107 Ca -0.04 -0.20 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1wk0 s LYS 107 Cb -0.18 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1wk0 s LYS 107 CO -0.05 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.81 1wk0 n GLY 108 N 4.30 1.72 3.36 -3.33 0.00 -1.24 -4.98 105.19 105.01 1wk0 n GLY 108 Ca -0.14 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1wk0 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wk0 s THR 109 N 4.79 2.77 0.29 2.61 2.01 -1.26 -4.98 115.64 121.85 1wk0 s THR 109 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1wk0 s THR 109 Cb 0.00 -2.11 -0.10 0.00 0.01 0.00 0.00 72.50 70.30 1wk0 s THR 109 CO 0.00 0.55 1.25 -2.16 -0.69 0.00 0.00 174.62 173.57 1wk0 s PRO 110 N 0.01 4.45 1.19 4.92 0.04 -1.26 -4.55 135.00 139.80 1wk0 s PRO 110 Ca -0.06 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 1wk0 s PRO 110 Cb -0.15 -3.13 0.31 0.00 0.04 0.00 0.00 34.50 31.57 1wk0 s PRO 110 CO 0.05 -0.08 0.71 -1.13 0.04 0.00 0.00 177.00 176.58 1wk0 n SER 111 N 1.33 -3.73 -3.20 6.66 3.41 -1.20 -4.95 113.62 111.94 1wk0 n SER 111 Ca 0.01 -0.73 -0.11 0.00 -0.26 0.00 0.00 58.87 57.78 1wk0 n SER 111 Cb 0.43 -0.81 0.11 0.00 -0.26 0.00 0.00 64.21 63.68 1wk0 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wk0 n GLU 112 N -5.09 -1.83 -4.49 4.33 1.02 -1.26 -4.68 120.64 108.64 1wk0 n GLU 112 Ca 0.11 -0.54 -0.34 0.00 -0.02 0.00 0.00 57.16 56.37 1wk0 n GLU 112 Cb 0.49 -0.86 -0.10 0.00 -0.02 0.00 0.00 31.44 30.94 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wk0 s ALA 113 N -2.04 3.14 -0.23 0.62 0.00 -1.26 -4.48 121.76 117.51 1wk0 s ALA 113 Ca 0.25 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.35 1wk0 s ALA 113 Cb -0.04 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1wk0 s ALA 113 CO 0.21 0.58 -0.10 -2.00 0.00 0.00 0.00 175.76 174.45 1wk0 s GLU 114 N -0.88 2.81 -0.26 0.00 -6.30 0.12 -4.81 118.70 109.37 1wk0 s GLU 114 Ca 0.13 -0.98 -0.18 0.00 -2.50 0.00 0.00 54.97 51.45 1wk0 s GLU 114 Cb -0.11 -2.86 -0.03 0.00 0.00 0.00 0.00 34.13 31.13 1wk0 s GLU 114 CO 0.02 -0.37 0.50 -1.50 0.02 0.00 0.00 175.26 173.94 1wk0 s ILE 115 N 1.29 5.08 -0.09 -3.70 2.07 -1.26 0.42 121.20 125.01 1wk0 s ILE 115 Ca 0.00 0.86 -0.01 0.00 -1.41 0.00 0.00 60.65 60.09 1wk0 s ILE 115 Cb -0.16 -3.82 0.03 0.00 0.13 0.00 0.00 42.46 38.64 1wk0 s ILE 115 CO -0.07 0.09 -0.00 0.72 -1.91 0.00 0.00 174.94 173.78 1wk0 s PHE 116 N 2.28 0.76 -0.19 3.50 -0.71 -0.82 -4.98 117.98 117.82 1wk0 s PHE 116 Ca 0.21 -0.27 -0.28 0.00 -1.04 0.00 0.00 56.93 55.55 1wk0 s PHE 116 Cb -0.16 -0.85 -0.00 0.00 -1.21 0.00 0.00 43.02 40.80 1wk0 s PHE 116 CO 0.09 -0.37 0.95 0.99 -1.34 0.00 0.00 175.22 175.54 1wk0 s THR 117 N 1.94 4.78 0.24 -4.49 2.01 -1.26 -3.97 115.64 114.89 1wk0 s THR 117 Ca 0.04 1.87 -0.15 0.00 0.31 0.00 0.00 61.69 63.76 1wk0 s THR 117 Cb -0.13 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 1wk0 s THR 117 CO -0.06 -0.07 0.67 0.42 -0.69 0.00 0.00 174.62 174.89 1wk0 s THR 118 N 2.60 4.72 0.96 -0.82 -4.23 0.48 -4.92 115.64 114.42 1wk0 s THR 118 Ca 0.42 0.96 -0.14 0.00 -1.18 0.00 0.00 61.69 61.75 1wk0 s THR 118 Cb -0.16 -3.71 0.17 0.00 1.34 0.00 0.00 72.50 70.14 1wk0 s THR 118 CO 0.11 0.03 1.16 -1.48 -0.54 0.00 0.00 174.62 173.90 1wk0 s LEU 119 N -2.46 1.91 0.49 4.79 2.34 -1.23 -0.82 118.68 123.71 1wk0 s LEU 119 Ca 0.47 0.83 -0.12 0.00 0.06 0.00 0.00 54.13 55.37 1wk0 s LEU 119 Cb -0.13 -3.04 -0.06 0.00 -0.56 0.00 0.00 46.19 42.40 1wk0 s LEU 119 CO 0.19 -2.81 0.90 -0.44 -1.06 0.00 0.00 176.35 173.14 1wk0 s SER 120 N -4.11 6.48 0.21 1.48 0.01 -1.26 0.16 113.70 116.67 1wk0 s SER 120 Ca 0.66 1.32 -0.03 0.00 1.31 0.00 0.00 55.95 59.22 1wk0 s SER 120 Cb -0.13 -2.41 0.42 0.00 0.21 0.00 0.00 66.02 64.12 1wk0 s SER 120 CO 0.54 -0.57 1.11 0.00 0.41 0.00 0.00 173.24 174.73 1wk0 s GLU 122 N -5.77 4.00 -0.26 0.00 2.02 -1.26 -4.88 118.70 112.54 1wk0 s GLU 122 Ca -0.10 0.86 -0.29 0.00 0.02 0.00 0.00 54.97 55.46 1wk0 s GLU 122 Cb 0.20 -2.24 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 1wk0 s GLU 122 CO 0.56 -0.09 1.64 -1.25 0.02 0.00 0.00 175.26 176.13 1wk0 s PRO 123 N -3.62 3.66 0.12 0.39 0.04 -1.26 -4.80 135.00 129.53 1wk0 s PRO 123 Ca 0.58 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1wk0 s PRO 123 Cb -0.10 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1wk0 s PRO 123 CO 0.24 -1.46 0.00 -0.25 0.04 0.00 0.00 177.00 175.57 1wk0 n ASP 124 N 8.93 0.63 -4.24 6.66 9.92 -1.26 -5.05 116.55 132.14 1wk0 n ASP 124 Ca 0.20 0.19 -0.60 0.00 -0.53 0.00 0.00 54.79 54.04 1wk0 n ASP 124 Cb 0.46 -0.12 -0.09 0.00 -0.64 0.00 0.00 41.12 40.73 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1wk0 n ILE 125 N -3.29 0.00 -2.25 0.53 2.08 -1.26 -4.84 119.36 110.32 1wk0 n ILE 125 Ca 0.00 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.90 1wk0 n ILE 125 Cb 0.00 -0.40 -0.03 0.00 -0.75 0.00 0.00 39.64 38.46 1wk0 n ILE 125 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wk0 s PRO 126 N 2.37 4.46 -0.26 0.38 0.04 -1.26 -5.04 135.00 135.70 1wk0 s PRO 126 Ca 0.93 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.79 1wk0 s PRO 126 Cb -1.32 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 30.16 1wk0 s PRO 126 CO 0.71 -0.05 0.69 1.21 0.04 0.00 0.00 177.00 179.60 1wk0 s ASN 127 N -0.57 -0.72 -0.09 6.66 3.84 -1.26 -5.14 114.94 117.67 1wk0 s ASN 127 Ca 0.48 1.38 -0.30 0.00 0.21 0.00 0.00 52.86 54.64 1wk0 s ASN 127 Cb -0.37 1.40 -0.04 0.00 -0.55 0.00 0.00 41.25 41.69 1wk0 s ASN 127 CO 0.48 -0.24 1.52 -2.16 -2.79 0.00 0.00 177.10 173.90 1wk0 s PRO 128 N 0.39 4.20 0.00 0.43 0.04 -1.26 -5.02 135.00 133.78 1wk0 s PRO 128 Ca -0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1wk0 s PRO 128 Cb -0.05 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1wk0 s PRO 128 CO 0.01 -0.79 0.00 -0.35 0.04 0.00 0.00 177.00 175.90 1wk0 n PRO 129 N 6.89 -0.73 -2.03 0.56 -0.04 -1.26 -4.97 135.00 133.43 1wk0 n PRO 129 Ca 0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 1wk0 n PRO 129 Cb 0.43 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.92 1wk0 n PRO 129 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1wk0 n ARG 130 N -1.29 3.14 -4.34 0.54 1.85 -1.26 -5.00 116.66 110.30 1wk0 n ARG 130 Ca 0.00 -3.94 -0.17 0.00 -1.00 0.00 0.00 57.85 52.74 1wk0 n ARG 130 Cb 0.00 -2.27 -0.10 0.00 -1.05 0.00 0.00 32.46 29.04 1wk0 n ARG 130 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 1wk0 s ILE 131 N -5.10 0.92 -0.28 8.89 -5.25 -1.26 -5.15 121.20 113.97 1wk0 s ILE 131 Ca 0.53 -2.02 -0.01 0.00 -0.99 0.00 0.00 60.65 58.16 1wk0 s ILE 131 Cb 0.43 -2.45 0.17 0.00 2.95 0.00 0.00 42.46 43.56 1wk0 s ILE 131 CO -0.19 -0.22 0.53 -0.55 -1.79 0.00 0.00 174.94 172.72 1wk0 s SER 132 N -3.32 -0.87 0.00 4.36 0.15 -1.26 -5.15 113.70 107.60 1wk0 s SER 132 Ca 0.31 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.56 1wk0 s SER 132 Cb 0.07 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1wk0 s SER 132 CO 0.10 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1wk0 n GLY 133 N 5.41 2.07 3.77 9.45 0.00 -1.26 -5.15 105.19 119.48 1wk0 n GLY 133 Ca -0.01 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1wk0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk0 s PRO 134 N -2.00 2.70 0.85 1.61 0.04 -1.26 -5.06 135.00 131.89 1wk0 s PRO 134 Ca 0.00 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1wk0 s PRO 134 Cb 0.00 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.78 1wk0 s PRO 134 CO 0.00 -1.32 1.17 -1.54 0.04 0.00 0.00 177.00 175.35 1wk0 s SER 135 N -2.72 3.62 -0.45 6.66 1.04 -1.26 -5.08 113.70 115.50 1wk0 s SER 135 Ca 0.66 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1wk0 s SER 135 Cb -0.20 0.06 0.15 0.00 0.10 0.00 0.00 66.02 66.13 1wk0 s SER 135 CO 0.44 -2.37 0.28 -0.55 0.98 0.00 0.00 173.24 172.02 1wk0 s SER 136 N -4.87 3.31 0.00 7.02 0.15 -1.26 -5.32 113.70 112.74 1wk0 s SER 136 Ca 0.72 -2.78 0.00 0.00 0.70 0.00 0.00 55.95 54.58 1wk0 s SER 136 Cb -0.03 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1wk0 s SER 136 CO 0.49 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.30