#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 n SER 2 N 0.00 7.60 -4.94 1.61 3.41 -1.26 -4.98 113.62 115.07 1wk0 n SER 2 Ca 0.00 -3.80 -0.21 0.00 -0.26 0.00 0.00 58.87 54.60 1wk0 n SER 2 Cb 0.00 -0.99 0.05 0.00 -0.26 0.00 0.00 64.21 63.01 1wk0 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wk0 s SER 3 N -1.69 5.17 0.00 4.04 0.15 -1.26 -5.05 113.70 115.07 1wk0 s SER 3 Ca 0.61 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1wk0 s SER 3 Cb 0.49 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1wk0 s SER 3 CO -0.11 -1.22 0.00 0.61 1.20 0.00 0.00 173.24 173.72 1wk0 n GLY 4 N -2.36 1.72 3.60 9.45 0.00 -1.26 -5.03 105.19 111.31 1wk0 n GLY 4 Ca 0.09 -2.23 -0.57 0.00 0.00 0.00 0.00 46.02 43.31 1wk0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wk0 n SER 5 N 0.00 1.14 -4.29 1.61 2.88 -1.26 -4.96 113.62 108.74 1wk0 n SER 5 Ca 0.00 1.14 -0.17 0.00 -1.33 0.00 0.00 58.87 58.50 1wk0 n SER 5 Cb 0.00 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.31 1wk0 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wk0 s SER 6 N 1.12 2.21 0.00 -3.46 0.15 -1.26 -5.15 113.70 107.31 1wk0 s SER 6 Ca 0.92 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wk0 s SER 6 Cb -1.15 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 1wk0 s SER 6 CO 0.58 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1wk0 n GLY 7 N -0.02 1.76 0.00 9.45 0.00 -1.26 -5.06 105.19 110.07 1wk0 n GLY 7 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.17 -0.30 1.61 -0.08 -1.26 -4.71 116.55 115.98 1wk0 n ASP 8 Ca 0.00 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.45 1wk0 n ASP 8 Cb 0.00 0.43 0.33 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 -1.74 -0.07 -0.14 -0.67 4.71 -1.26 0.21 120.64 121.68 1wk0 n GLU 9 Ca 0.00 1.30 -0.11 0.00 -0.01 0.00 0.00 57.16 58.34 1wk0 n GLU 9 Cb 0.40 -2.13 0.01 0.00 -1.01 0.00 0.00 31.44 28.72 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wk0 h GLU 10 N 0.00 0.96 -0.45 3.49 4.39 -2.01 -3.08 114.58 117.88 1wk0 h GLU 10 Ca 0.60 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1wk0 h GLU 10 Cb 1.36 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 1wk0 h GLU 10 CO -0.79 1.08 0.26 1.15 -1.16 0.00 0.00 179.01 179.55 1wk0 h THR 11 N 0.82 1.04 -0.32 1.13 2.02 0.22 -2.48 112.91 115.35 1wk0 h THR 11 Ca 0.10 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1wk0 h THR 11 Cb 0.80 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1wk0 h THR 11 CO 0.07 0.10 -0.01 0.11 0.37 0.00 0.00 175.52 176.15 1wk0 h LYS 12 N 0.52 0.08 -0.69 6.66 1.57 -1.13 -0.76 116.57 122.83 1wk0 h LYS 12 Ca 0.18 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.05 1wk0 h LYS 12 Cb 0.02 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1wk0 h LYS 12 CO -0.09 0.05 0.46 0.00 -0.57 0.00 0.00 179.45 179.30 1wk0 h ALA 13 N 1.28 1.88 -0.36 3.86 0.00 -1.40 -1.36 119.26 123.15 1wk0 h ALA 13 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1wk0 h ALA 13 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wk0 h ALA 13 CO -0.27 -0.02 -0.42 0.74 0.00 0.00 0.00 179.25 179.28 1wk0 h PHE 14 N 0.57 1.12 -0.00 0.00 0.04 -0.75 0.33 116.94 118.26 1wk0 h PHE 14 Ca 0.32 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1wk0 h PHE 14 Cb 0.47 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 1wk0 h PHE 14 CO -0.00 1.18 0.00 0.93 -0.60 0.00 0.00 178.31 179.83 1wk0 h GLU 15 N 0.74 0.00 0.09 1.51 5.08 -0.09 0.36 114.58 122.27 1wk0 h GLU 15 Ca 0.05 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.04 1wk0 h GLU 15 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1wk0 h GLU 15 CO 0.10 0.00 -2.14 0.00 -1.00 0.00 0.00 179.01 175.97 1wk0 n ALA 16 N -2.53 1.05 0.16 3.43 0.00 -1.01 -3.87 120.51 117.74 1wk0 n ALA 16 Ca -0.03 -0.74 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 1wk0 n ALA 16 Cb 0.09 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 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 0.04 -0.37 -2.19 0.00 5.85 -0.09 -2.78 115.31 115.76 1wk0 h LEU 17 Ca -0.47 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.12 1wk0 h LEU 17 Cb 1.99 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 1wk0 h LEU 17 CO 0.03 0.01 0.27 -0.07 -0.34 0.00 0.00 178.44 178.35 1wk0 h LEU 18 N -0.82 0.00 -3.68 2.25 3.38 -0.49 0.25 115.31 116.21 1wk0 h LEU 18 Ca -0.05 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 1wk0 h LEU 18 Cb 0.52 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.06 1wk0 h LEU 18 CO 0.07 0.00 0.28 -1.20 0.09 0.00 0.00 178.44 177.69 1wk0 n SER 19 N -3.36 3.15 -0.38 -0.43 7.64 -1.11 -4.20 113.62 114.94 1wk0 n SER 19 Ca 0.01 -3.71 0.07 0.00 1.01 0.00 0.00 58.87 56.25 1wk0 n SER 19 Cb 0.37 -0.74 0.14 0.00 -1.01 0.00 0.00 64.21 62.98 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1wk0 n ASN 20 N -1.13 1.81 -4.92 6.43 2.85 0.88 -4.90 115.26 116.28 1wk0 n ASN 20 Ca 0.47 -3.18 -0.22 0.00 -0.11 0.00 0.00 54.58 51.54 1wk0 n ASN 20 Cb 1.35 -0.43 0.05 0.00 1.24 0.00 0.00 39.78 41.99 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 -2.52 2.53 -0.12 -1.44 -0.00 -1.26 -1.73 121.20 116.67 1wk0 s ILE 21 Ca 0.31 -0.61 -0.09 0.00 -0.00 0.00 0.00 60.65 60.26 1wk0 s ILE 21 Cb 0.29 -2.92 -0.04 0.00 -0.00 0.00 0.00 42.46 39.78 1wk0 s ILE 21 CO -0.02 0.00 0.19 -0.69 -0.00 0.00 0.00 174.94 174.42 1wk0 s VAL 22 N -2.88 5.41 0.48 8.37 1.01 -1.24 -4.81 120.40 126.75 1wk0 s VAL 22 Ca 0.59 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 1wk0 s VAL 22 Cb -0.10 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1wk0 s VAL 22 CO 0.40 0.58 0.84 2.29 0.00 0.00 0.00 175.10 179.21 1wk0 n LYS 23 N 2.25 0.99 -2.23 2.72 2.85 -1.26 -4.11 118.16 119.37 1wk0 n LYS 23 Ca -0.18 0.36 -0.41 0.00 -1.05 0.00 0.00 58.31 57.03 1wk0 n LYS 23 Cb 0.54 -1.91 -0.03 0.00 -0.65 0.00 0.00 35.03 32.98 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 -2.09 4.40 -0.03 -1.58 0.04 -1.26 -4.74 135.00 129.73 1wk0 s PRO 24 Ca 0.67 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1wk0 s PRO 24 Cb -0.52 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1wk0 s PRO 24 CO 0.55 -0.23 0.01 0.08 0.04 0.00 0.00 177.00 177.44 1wk0 s VAL 25 N 0.03 4.26 -0.14 -0.36 1.01 -0.44 -4.61 120.40 120.16 1wk0 s VAL 25 Ca 0.56 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1wk0 s VAL 25 Cb -0.36 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1wk0 s VAL 25 CO 0.39 0.46 0.16 0.00 0.00 0.00 0.00 175.10 176.10 1wk0 s ALA 26 N -1.02 3.81 0.00 5.51 0.00 -1.26 -1.15 121.76 127.65 1wk0 s ALA 26 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1wk0 s ALA 26 Cb -0.11 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1wk0 s ALA 26 CO 0.08 0.47 0.00 -1.13 0.00 0.00 0.00 175.76 175.18 1wk0 n SER 27 N 2.43 0.00 -2.89 0.00 3.41 -1.00 -4.87 113.62 110.72 1wk0 n SER 27 Ca -0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.19 1wk0 n SER 27 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1wk0 n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wk0 n ASP 28 N -1.72 5.91 -4.61 4.04 2.03 -1.26 -4.69 116.55 116.26 1wk0 n ASP 28 Ca 0.00 -2.38 -0.43 0.00 0.52 0.00 0.00 54.79 52.50 1wk0 n ASP 28 Cb 0.00 -1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 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 2.39 3.55 0.26 5.18 1.01 -1.26 -2.89 121.20 129.44 1wk0 s ILE 29 Ca 0.53 0.57 0.02 0.00 0.00 0.00 0.00 60.65 61.78 1wk0 s ILE 29 Cb 0.17 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1wk0 s ILE 29 CO -0.03 -0.40 0.19 0.00 0.00 0.00 0.00 174.94 174.70 1wk0 n GLN 30 N 8.21 1.12 0.00 2.79 6.02 0.23 -4.64 117.38 131.11 1wk0 n GLN 30 Ca 0.21 -1.62 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1wk0 n GLN 30 Cb 0.46 0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.90 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 -2.46 0.00 -0.02 -1.58 0.00 -1.26 -3.59 120.51 111.59 1wk0 n ALA 31 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1wk0 n ALA 31 Cb 0.29 0.41 -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 -2.49 2.59 -3.39 0.00 3.00 -1.26 -3.66 116.66 111.45 1wk0 n ARG 32 Ca 0.00 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.85 57.54 1wk0 n ARG 32 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 32.46 31.28 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 -2.19 5.05 0.11 0.55 -4.23 -1.26 -4.09 115.64 109.59 1wk0 s THR 33 Ca -0.03 -0.01 -0.21 0.00 -1.18 0.00 0.00 61.69 60.26 1wk0 s THR 33 Cb 0.02 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.18 1wk0 s THR 33 CO 0.24 -0.30 0.53 0.68 -0.54 0.00 0.00 174.62 175.23 1wk0 s VAL 34 N -2.05 0.03 -0.54 2.29 -7.23 -1.19 0.78 120.40 112.49 1wk0 s VAL 34 Ca 0.43 -0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 60.21 1wk0 s VAL 34 Cb -0.11 -1.04 0.12 0.00 0.56 0.00 0.00 36.38 35.91 1wk0 s VAL 34 CO 0.30 -0.13 0.52 -0.69 -0.31 0.00 0.00 175.10 174.79 1wk0 s VAL 35 N -3.31 5.16 -0.18 1.32 1.01 -1.14 -1.12 120.40 122.14 1wk0 s VAL 35 Ca -0.01 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.40 1wk0 s VAL 35 Cb -0.00 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1wk0 s VAL 35 CO -0.09 -0.87 0.49 -0.22 0.00 0.00 0.00 175.10 174.41 1wk0 s LEU 36 N 1.74 4.17 -0.13 3.92 2.96 0.17 -2.36 118.68 129.15 1wk0 s LEU 36 Ca 0.04 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1wk0 s LEU 36 Cb -0.29 -2.68 0.02 0.00 0.50 0.00 0.00 46.19 43.75 1wk0 s LEU 36 CO 0.04 -0.13 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.91 1wk0 s THR 37 N 1.38 1.50 0.10 3.68 2.01 -0.30 -1.52 115.64 122.48 1wk0 s THR 37 Ca 0.24 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1wk0 s THR 37 Cb -0.15 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1wk0 s THR 37 CO 0.09 0.44 -0.14 -1.66 -0.69 0.00 0.00 174.62 172.67 1wk0 s TRP 38 N 1.30 1.28 0.25 4.92 -2.14 -1.19 -1.32 118.94 122.04 1wk0 s TRP 38 Ca 0.00 -0.53 0.01 0.00 2.66 0.00 0.00 56.10 58.25 1wk0 s TRP 38 Cb -0.14 -0.69 -0.04 0.00 -3.10 0.00 0.00 33.47 29.51 1wk0 s TRP 38 CO -0.07 0.09 0.42 -1.12 -2.66 0.00 0.00 176.95 173.60 1wk0 s SER 39 N -2.15 6.34 0.95 -2.66 0.01 -1.26 -4.62 113.70 110.31 1wk0 s SER 39 Ca 0.04 0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 1wk0 s SER 39 Cb -0.07 -1.97 0.16 0.00 0.21 0.00 0.00 66.02 64.36 1wk0 s SER 39 CO 0.02 -0.11 1.09 -2.16 0.41 0.00 0.00 173.24 172.49 1wk0 s PRO 40 N -3.76 0.80 0.61 12.44 0.04 -1.26 -3.59 135.00 140.28 1wk0 s PRO 40 Ca 0.37 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 1wk0 s PRO 40 Cb -0.10 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1wk0 s PRO 40 CO 0.31 -2.51 1.12 -1.25 0.04 0.00 0.00 177.00 174.70 1wk0 s PRO 41 N -4.95 3.01 -0.37 0.56 0.04 -1.26 -4.36 135.00 127.66 1wk0 s PRO 41 Ca 0.64 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 1wk0 s PRO 41 Cb -0.18 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wk0 s PRO 41 CO 0.57 -1.10 0.51 -1.12 0.04 0.00 0.00 177.00 175.91 1wk0 s SER 42 N -2.27 6.29 -0.44 6.66 0.01 -0.70 -4.88 113.70 118.36 1wk0 s SER 42 Ca 0.69 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 57.48 1wk0 s SER 42 Cb -0.22 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1wk0 s SER 42 CO 0.36 -0.53 1.59 -0.55 0.41 0.00 0.00 173.24 174.51 1wk0 s SER 43 N 1.80 6.02 -0.11 2.44 0.15 -1.26 -4.82 113.70 117.93 1wk0 s SER 43 Ca 0.18 0.80 0.08 0.00 0.70 0.00 0.00 55.95 57.70 1wk0 s SER 43 Cb -0.16 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.04 1wk0 s SER 43 CO 0.14 -1.69 1.16 0.18 1.20 0.00 0.00 173.24 174.23 1wk0 n LEU 44 N 9.92 3.31 0.04 3.45 4.77 -1.26 -4.28 117.00 132.95 1wk0 n LEU 44 Ca 0.18 -1.68 0.03 0.00 -0.03 0.00 0.00 56.01 54.51 1wk0 n LEU 44 Cb 0.48 -0.56 0.16 0.00 -2.33 0.00 0.00 43.42 41.17 1wk0 n LEU 44 CO 0.70 0.45 0.59 -0.38 -1.33 0.00 0.00 177.39 177.42 1wk0 n ILE 45 N 0.36 1.73 -1.66 -0.08 2.08 -1.26 -4.79 119.36 115.74 1wk0 n ILE 45 Ca 0.14 0.57 -0.07 0.00 0.56 0.00 0.00 62.75 63.95 1wk0 n ILE 45 Cb 0.70 -1.57 -0.02 0.00 -0.75 0.00 0.00 39.64 38.01 1wk0 n ILE 45 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1wk0 n ASN 46 N -1.70 -3.20 0.00 4.38 3.02 -1.26 -2.75 115.26 113.74 1wk0 n ASN 46 Ca -0.00 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1wk0 n ASN 46 Cb 0.01 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wk0 n GLY 47 N -1.59 1.46 0.58 7.41 0.00 -1.26 -4.82 105.19 106.97 1wk0 n GLY 47 Ca -0.07 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 0.83 0.00 0.00 0.00 173.32 174.15 1wk0 h GLU 48 N 1.59 0.00 -6.20 1.61 4.39 -1.91 -3.40 114.58 110.66 1wk0 h GLU 48 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1wk0 h GLU 48 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1wk0 h GLU 48 CO 0.00 0.00 -0.49 -0.08 -1.16 0.00 0.00 179.01 177.28 1wk0 s THR 49 N -4.90 4.55 0.32 1.13 -1.32 -1.26 -5.07 115.64 109.08 1wk0 s THR 49 Ca -0.05 -1.28 -0.29 0.00 -1.21 0.00 0.00 61.69 58.86 1wk0 s THR 49 Cb 0.24 -3.50 -0.12 0.00 -1.51 0.00 0.00 72.50 67.61 1wk0 s THR 49 CO 0.82 -0.32 1.42 0.47 -2.21 0.00 0.00 174.62 174.79 1wk0 n ASP 50 N -1.27 3.20 -0.26 8.08 8.00 -1.26 -4.89 116.55 128.14 1wk0 n ASP 50 Ca -0.07 1.19 -0.01 0.00 0.71 0.00 0.00 54.79 56.60 1wk0 n ASP 50 Cb 0.58 -1.52 0.11 0.00 -0.02 0.00 0.00 41.12 40.26 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wk0 h GLU 51 N 3.41 0.80 -1.45 -1.24 3.07 -1.98 -1.50 114.58 115.69 1wk0 h GLU 51 Ca -0.47 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.14 1wk0 h GLU 51 Cb 1.26 -0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.89 1wk0 h GLU 51 CO 0.69 0.53 0.26 0.43 -1.40 0.00 0.00 179.01 179.52 1wk0 n SER 52 N -4.70 5.16 -0.09 1.42 7.64 -1.26 -3.88 113.62 117.91 1wk0 n SER 52 Ca 0.10 -2.74 -0.13 0.00 1.01 0.00 0.00 58.87 57.10 1wk0 n SER 52 Cb 0.16 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.47 2.46 -4.67 6.43 2.88 -0.57 -4.97 113.62 115.66 1wk0 n SER 53 Ca 0.20 -0.04 -0.42 0.00 -1.33 0.00 0.00 58.87 57.27 1wk0 n SER 53 Cb 0.66 -0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 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 0.67 -1.22 2.46 0.24 -1.25 -4.96 118.33 111.14 1wk0 n VAL 54 Ca -0.31 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.34 61.57 1wk0 n VAL 54 Cb 0.81 -2.25 0.12 0.00 -1.47 0.00 0.00 33.84 31.05 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 4.03 1.57 -0.09 7.34 0.04 -1.26 -4.99 135.00 141.64 1wk0 s PRO 55 Ca 0.88 0.93 0.14 0.00 0.04 0.00 0.00 61.00 62.98 1wk0 s PRO 55 Cb -0.46 -1.84 0.21 0.00 0.04 0.00 0.00 34.50 32.46 1wk0 s PRO 55 CO 0.41 -2.05 1.10 -0.85 0.04 0.00 0.00 177.00 175.65 1wk0 n GLU 56 N -3.77 1.20 -0.86 4.56 0.28 -1.26 -4.68 120.64 116.12 1wk0 n GLU 56 Ca 0.08 -2.18 -0.00 0.00 -0.16 0.00 0.00 57.16 54.89 1wk0 n GLU 56 Cb 0.55 -1.27 0.31 0.00 1.43 0.00 0.00 31.44 32.45 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 -1.09 5.39 -4.54 -1.84 7.99 -1.26 -4.87 117.00 116.77 1wk0 n LEU 57 Ca 0.12 -3.18 -0.36 0.00 -0.01 0.00 0.00 56.01 52.58 1wk0 n LEU 57 Cb 0.61 -0.68 -0.06 0.00 -0.11 0.00 0.00 43.42 43.18 1wk0 n LEU 57 CO 0.01 0.79 2.03 -1.22 -1.51 0.00 0.00 177.39 177.48 1wk0 n TYR 58 N -0.18 1.25 -1.44 -1.77 4.01 -1.26 -4.80 117.16 112.97 1wk0 n TYR 58 Ca 0.34 0.16 -0.47 0.00 -0.16 0.00 0.00 57.90 57.76 1wk0 n TYR 58 Cb 1.22 -2.57 -0.09 0.00 -0.31 0.00 0.00 39.34 37.58 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 6.13 0.07 3.56 2.72 0.00 0.22 -4.51 105.19 113.38 1wk0 n GLY 59 Ca 0.43 0.98 -0.40 0.00 0.00 0.00 0.00 46.02 47.03 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 8.33 3.22 -0.16 1.61 2.02 0.22 0.81 117.35 133.41 1wk0 s TYR 60 Ca 1.16 0.06 -0.04 0.00 -0.37 0.00 0.00 57.07 57.88 1wk0 s TYR 60 Cb -0.97 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 37.95 1wk0 s TYR 60 CO 0.48 -0.37 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.07 1wk0 s GLU 61 N 1.99 3.69 -0.22 -0.62 2.12 0.91 -2.20 118.70 124.37 1wk0 s GLU 61 Ca 0.12 -0.49 -0.19 0.00 0.36 0.00 0.00 54.97 54.77 1wk0 s GLU 61 Cb -0.16 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 1wk0 s GLU 61 CO 0.11 0.27 0.54 0.08 -0.54 0.00 0.00 175.26 175.73 1wk0 s VAL 62 N 0.29 5.08 -0.11 3.70 1.01 -0.56 -0.62 120.40 129.19 1wk0 s VAL 62 Ca -0.02 0.99 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1wk0 s VAL 62 Cb -0.14 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1wk0 s VAL 62 CO 0.02 0.14 -0.14 -0.76 0.00 0.00 0.00 175.10 174.36 1wk0 s LEU 63 N 1.87 2.65 0.02 3.92 1.43 -0.70 -2.37 118.68 125.50 1wk0 s LEU 63 Ca 0.24 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1wk0 s LEU 63 Cb -0.16 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1wk0 s LEU 63 CO 0.09 0.20 -0.05 0.27 0.23 0.00 0.00 176.35 177.09 1wk0 s ILE 64 N 0.13 0.37 -0.38 -0.59 -4.36 -1.19 -1.45 121.20 113.72 1wk0 s ILE 64 Ca -0.07 -0.68 0.01 0.00 -0.26 0.00 0.00 60.65 59.65 1wk0 s ILE 64 Cb -0.15 -0.40 0.13 0.00 1.25 0.00 0.00 42.46 43.29 1wk0 s ILE 64 CO 0.05 -0.21 0.21 -0.55 0.24 0.00 0.00 174.94 174.67 1wk0 s SER 65 N -0.95 3.38 0.66 4.36 0.15 -1.23 -2.64 113.70 117.42 1wk0 s SER 65 Ca -0.06 -2.27 0.24 0.00 0.70 0.00 0.00 55.95 54.56 1wk0 s SER 65 Cb -0.07 -0.70 1.30 0.00 -1.71 0.00 0.00 66.02 64.85 1wk0 s SER 65 CO -0.00 -0.31 1.74 0.77 1.20 0.00 0.00 173.24 176.64 1wk0 h SER 66 N 7.07 0.00 -0.92 5.45 4.64 -1.90 -1.02 113.55 126.87 1wk0 h SER 66 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1wk0 h SER 66 Cb 0.96 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.87 1wk0 h SER 66 CO 0.38 0.00 0.50 0.35 -0.87 0.00 0.00 176.83 177.20 1wk0 n THR 67 N -2.91 3.19 -1.22 2.95 -2.24 -1.26 -4.88 114.28 107.90 1wk0 n THR 67 Ca 0.00 -2.61 0.15 0.00 -2.27 0.00 0.00 64.05 59.32 1wk0 n THR 67 Cb 0.55 -1.43 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 1wk0 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wk0 n GLY 68 N 0.39 -2.74 0.31 3.38 0.00 -0.39 -3.42 105.19 102.73 1wk0 n GLY 68 Ca 0.44 -1.15 0.13 0.00 0.00 0.00 0.00 46.02 45.45 1wk0 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wk0 h LYS 69 N -1.18 0.00 -1.95 1.61 1.57 -1.94 -2.47 116.57 112.21 1wk0 h LYS 69 Ca -0.10 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.28 1wk0 h LYS 69 Cb 1.15 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.32 1wk0 h LYS 69 CO 0.05 0.00 0.20 -0.40 -0.57 0.00 0.00 179.45 178.73 1wk0 n ASP 70 N -4.45 6.15 -0.24 0.86 5.75 -1.26 -4.86 116.55 118.50 1wk0 n ASP 70 Ca 0.02 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 1wk0 n ASP 70 Cb 0.31 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wk0 n GLY 71 N 1.22 5.09 3.67 6.12 0.00 -0.93 -5.05 105.19 115.31 1wk0 n GLY 71 Ca 0.45 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 0.33 4.20 0.19 1.61 2.47 -1.26 -5.04 119.74 122.24 1wk0 s LYS 72 Ca 0.00 0.38 -0.12 0.00 -1.56 0.00 0.00 55.97 54.66 1wk0 s LYS 72 Cb 0.00 -3.55 -0.07 0.00 -1.46 0.00 0.00 37.83 32.75 1wk0 s LYS 72 CO 0.00 -0.10 0.56 0.71 0.16 0.00 0.00 175.35 176.68 1wk0 s TYR 73 N 1.49 3.51 0.35 4.03 1.51 -1.26 -4.50 117.35 122.49 1wk0 s TYR 73 Ca 0.23 0.99 0.03 0.00 -1.01 0.00 0.00 57.07 57.32 1wk0 s TYR 73 Cb -0.15 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1wk0 s TYR 73 CO 0.09 0.34 0.10 -1.59 -1.11 0.00 0.00 175.55 173.38 1wk0 s LYS 74 N -2.39 1.74 -0.38 -0.62 -2.85 -1.08 -4.94 119.74 109.20 1wk0 s LYS 74 Ca 0.43 -2.01 -0.10 0.00 -1.00 0.00 0.00 55.97 53.29 1wk0 s LYS 74 Cb -0.13 -0.65 0.04 0.00 -2.06 0.00 0.00 37.83 35.03 1wk0 s LYS 74 CO 0.20 -0.34 0.21 -1.12 0.10 0.00 0.00 175.35 174.41 1wk0 s SER 75 N -3.51 5.67 -0.11 0.03 0.01 -1.26 -3.18 113.70 111.34 1wk0 s SER 75 Ca 0.31 -1.15 0.11 0.00 1.31 0.00 0.00 55.95 56.53 1wk0 s SER 75 Cb 0.06 -2.00 -0.24 0.00 0.21 0.00 0.00 66.02 64.05 1wk0 s SER 75 CO 0.15 -0.42 0.39 1.33 0.41 0.00 0.00 173.24 175.09 1wk0 n VAL 76 N 4.96 1.56 -3.83 3.43 0.24 -1.00 -4.98 118.33 118.71 1wk0 n VAL 76 Ca -0.11 -0.78 -0.11 0.00 -2.04 0.00 0.00 64.34 61.29 1wk0 n VAL 76 Cb 0.45 -1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 31.73 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 -2.56 -0.00 -0.27 6.34 6.14 -1.25 -4.86 117.35 120.89 1wk0 s TYR 77 Ca -0.11 -0.10 -0.02 0.00 0.64 0.00 0.00 57.07 57.48 1wk0 s TYR 77 Cb 0.07 -0.01 0.16 0.00 0.42 0.00 0.00 41.96 42.60 1wk0 s TYR 77 CO 0.80 -0.37 0.47 0.08 0.64 0.00 0.00 175.55 177.16 1wk0 s VAL 78 N -1.89 -0.76 0.00 3.14 1.01 -1.26 -1.50 120.40 119.14 1wk0 s VAL 78 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1wk0 s VAL 78 Cb -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1wk0 s VAL 78 CO -0.00 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1wk0 n GLY 79 N 5.39 3.57 0.00 4.51 0.00 -0.93 -4.98 105.19 112.75 1wk0 n GLY 79 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 3.00 -1.67 1.61 4.71 -1.26 0.72 120.64 127.75 1wk0 n GLU 80 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 57.16 56.67 1wk0 n GLU 80 Cb 0.00 -0.94 -0.05 0.00 -1.01 0.00 0.00 31.44 29.44 1wk0 n GLU 80 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wk0 n GLU 81 N -1.92 2.01 -0.28 3.49 1.02 -1.26 -4.71 120.64 118.98 1wk0 n GLU 81 Ca 0.00 0.73 -0.04 0.00 -0.02 0.00 0.00 57.16 57.83 1wk0 n GLU 81 Cb 0.44 -2.52 0.08 0.00 -0.02 0.00 0.00 31.44 29.42 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wk0 h THR 82 N 4.53 1.18 -3.54 2.62 1.35 -1.94 -3.40 112.91 113.70 1wk0 h THR 82 Ca -0.47 -0.36 -0.62 0.00 -0.55 0.00 0.00 66.41 64.41 1wk0 h THR 82 Cb 1.27 0.05 -0.16 0.00 -1.73 0.00 0.00 68.15 67.58 1wk0 h THR 82 CO 0.91 0.19 -0.53 0.21 -0.25 0.00 0.00 175.52 176.05 1wk0 s ASN 83 N -5.89 5.89 0.15 5.36 3.84 -1.26 -3.14 114.94 119.89 1wk0 s ASN 83 Ca -0.13 0.06 -0.08 0.00 0.21 0.00 0.00 52.86 52.92 1wk0 s ASN 83 Cb 0.16 -2.05 -0.01 0.00 -0.55 0.00 0.00 41.25 38.79 1wk0 s ASN 83 CO 0.78 0.07 0.24 0.27 -2.79 0.00 0.00 177.10 175.68 1wk0 s ILE 84 N 1.01 0.08 -0.17 -5.21 -5.25 -0.58 -5.03 121.20 106.05 1wk0 s ILE 84 Ca 0.06 -1.44 -0.04 0.00 -0.99 0.00 0.00 60.65 58.25 1wk0 s ILE 84 Cb -0.14 -1.81 -0.02 0.00 2.95 0.00 0.00 42.46 43.44 1wk0 s ILE 84 CO 0.04 -0.36 -0.04 -0.89 -1.79 0.00 0.00 174.94 171.90 1wk0 s THR 85 N -3.97 3.76 0.56 8.37 2.01 -1.26 -0.65 115.64 124.46 1wk0 s THR 85 Ca 0.17 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 1wk0 s THR 85 Cb 0.04 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 1wk0 s THR 85 CO -0.01 0.47 1.02 -0.76 -0.69 0.00 0.00 174.62 174.65 1wk0 s LEU 86 N 0.66 3.55 0.31 4.42 1.43 -0.27 -4.88 118.68 123.89 1wk0 s LEU 86 Ca -0.02 1.69 -0.07 0.00 -1.03 0.00 0.00 54.13 54.69 1wk0 s LEU 86 Cb -0.14 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1wk0 s LEU 86 CO 0.02 -0.88 0.50 0.20 0.23 0.00 0.00 176.35 176.42 1wk0 s ASN 87 N -2.96 0.44 -1.64 2.29 0.01 -1.26 -3.20 114.94 108.61 1wk0 s ASN 87 Ca 0.61 -1.25 -0.02 0.00 -0.71 0.00 0.00 52.86 51.49 1wk0 s ASN 87 Cb -0.13 0.65 0.00 0.00 0.41 0.00 0.00 41.25 42.18 1wk0 s ASN 87 CO 0.35 -1.27 0.20 0.47 -1.51 0.00 0.00 177.10 175.33 1wk0 n ASP 88 N -1.01 -5.75 -4.01 -1.22 9.92 -1.26 -4.98 116.55 108.24 1wk0 n ASP 88 Ca -0.01 -0.09 -0.14 0.00 -0.53 0.00 0.00 54.79 54.02 1wk0 n ASP 88 Cb 0.62 -4.75 0.06 0.00 -0.64 0.00 0.00 41.12 36.41 1wk0 n ASP 88 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wk0 n LEU 89 N -3.32 0.00 -4.26 0.64 4.77 -1.26 -5.11 117.00 108.46 1wk0 n LEU 89 Ca -0.19 -1.70 -0.33 0.00 -0.03 0.00 0.00 56.01 53.75 1wk0 n LEU 89 Cb 0.66 -0.35 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 1wk0 n LEU 89 CO 0.34 -0.70 -0.47 -0.54 -1.33 0.00 0.00 177.39 174.68 1wk0 s LYS 90 N -3.99 3.22 0.79 3.23 1.02 -1.26 -4.83 119.74 117.92 1wk0 s LYS 90 Ca 0.44 -0.74 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 1wk0 s LYS 90 Cb -0.03 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 1wk0 s LYS 90 CO 0.29 -0.01 1.09 -1.25 -0.92 0.00 0.00 175.35 174.54 1wk0 s PRO 91 N 0.90 2.14 -1.34 -1.68 0.04 -1.24 -3.57 135.00 130.24 1wk0 s PRO 91 Ca -0.04 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 1wk0 s PRO 91 Cb -0.15 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.56 1wk0 s PRO 91 CO -0.01 -1.72 0.50 0.00 0.04 0.00 0.00 177.00 175.81 1wk0 n ALA 92 N -3.57 -1.03 -2.62 8.56 0.00 -0.60 -4.83 120.51 116.42 1wk0 n ALA 92 Ca 0.09 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1wk0 n ALA 92 Cb 0.53 -3.01 -0.13 0.00 0.00 0.00 0.00 19.45 16.84 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 -5.88 0.99 -0.22 0.00 0.00 -1.23 -4.96 119.30 108.00 1wk0 s MET 93 Ca 0.35 -0.95 0.01 0.00 0.00 0.00 0.00 55.69 55.11 1wk0 s MET 93 Cb -0.18 -1.08 0.03 0.00 0.00 0.00 0.00 34.83 33.60 1wk0 s MET 93 CO 0.44 0.26 -0.15 0.16 0.00 0.00 0.00 175.02 175.73 1wk0 s ASP 94 N -1.54 3.74 0.23 1.11 1.47 -1.26 -2.11 116.67 118.31 1wk0 s ASP 94 Ca 0.02 -0.88 -0.05 0.00 1.18 0.00 0.00 52.55 52.82 1wk0 s ASP 94 Cb -0.09 -1.54 -0.02 0.00 -0.34 0.00 0.00 42.92 40.92 1wk0 s ASP 94 CO 0.02 -0.08 0.28 -0.72 0.68 0.00 0.00 175.17 175.36 1wk0 s TYR 95 N 1.25 0.92 0.04 2.11 1.13 -1.26 -4.80 117.35 116.73 1wk0 s TYR 95 Ca 0.00 -1.17 0.01 0.00 -1.41 0.00 0.00 57.07 54.50 1wk0 s TYR 95 Cb -0.16 -0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.38 1wk0 s TYR 95 CO -0.09 -0.81 0.10 -1.01 -2.51 0.00 0.00 175.55 171.23 1wk0 s HIS 96 N -3.99 3.28 0.08 -3.49 3.76 -1.26 -2.18 115.29 111.48 1wk0 s HIS 96 Ca 0.33 0.16 0.05 0.00 -0.15 0.00 0.00 55.06 55.45 1wk0 s HIS 96 Cb 0.04 -1.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1wk0 s HIS 96 CO 0.12 0.55 -0.13 0.00 -0.85 0.00 0.00 174.74 174.43 1wk0 s ALA 97 N -1.31 1.16 0.25 -1.40 0.00 -1.11 -3.53 121.76 115.82 1wk0 s ALA 97 Ca 0.27 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1wk0 s ALA 97 Cb -0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1wk0 s ALA 97 CO 0.19 0.09 0.21 0.15 0.00 0.00 0.00 175.76 176.39 1wk0 s LYS 98 N -2.16 1.42 -0.07 0.00 1.02 -0.53 -1.62 119.74 117.80 1wk0 s LYS 98 Ca 0.01 -1.75 -0.02 0.00 0.02 0.00 0.00 55.97 54.24 1wk0 s LYS 98 Cb -0.07 0.30 0.03 0.00 -0.52 0.00 0.00 37.83 37.57 1wk0 s LYS 98 CO 0.02 -0.50 0.01 0.54 -0.92 0.00 0.00 175.35 174.50 1wk0 s VAL 99 N -3.88 0.32 -0.19 3.17 0.11 -1.26 -1.73 120.40 116.95 1wk0 s VAL 99 Ca 0.39 0.13 -0.08 0.00 -2.93 0.00 0.00 61.98 59.48 1wk0 s VAL 99 Cb 0.05 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1wk0 s VAL 99 CO 0.17 0.22 0.09 -1.58 -3.33 0.00 0.00 175.10 170.67 1wk0 s GLN 100 N 1.99 4.05 -0.14 1.54 0.74 0.21 -3.11 119.66 124.94 1wk0 s GLN 100 Ca 0.05 -0.30 -0.14 0.00 0.05 0.00 0.00 55.36 55.01 1wk0 s GLN 100 Cb -0.12 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1wk0 s GLN 100 CO -0.05 0.27 0.32 0.00 -0.55 0.00 0.00 175.29 175.28 1wk0 s ALA 101 N 0.40 3.60 -0.04 1.58 0.00 -1.24 -0.06 121.76 125.98 1wk0 s ALA 101 Ca 0.05 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1wk0 s ALA 101 Cb -0.12 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1wk0 s ALA 101 CO -0.00 0.14 -0.10 -2.00 0.00 0.00 0.00 175.76 173.80 1wk0 s GLU 102 N 0.27 1.24 -0.03 0.00 -6.30 0.24 -3.82 118.70 110.31 1wk0 s GLU 102 Ca 0.18 -0.32 -0.15 0.00 -2.50 0.00 0.00 54.97 52.19 1wk0 s GLU 102 Cb -0.14 -1.10 0.02 0.00 0.00 0.00 0.00 34.13 32.91 1wk0 s GLU 102 CO 0.06 0.05 0.32 -0.47 0.02 0.00 0.00 175.26 175.24 1wk0 s TYR 103 N 0.49 -0.21 -1.22 5.30 6.14 -1.21 0.69 117.35 127.33 1wk0 s TYR 103 Ca -0.09 0.35 -0.11 0.00 0.64 0.00 0.00 57.07 57.87 1wk0 s TYR 103 Cb -0.13 0.10 0.09 0.00 0.42 0.00 0.00 41.96 42.45 1wk0 s TYR 103 CO 0.02 -0.36 0.44 0.09 0.64 0.00 0.00 175.55 176.37 1wk0 n ASN 104 N 1.48 -2.97 -2.84 4.32 4.13 -1.26 0.11 115.26 118.23 1wk0 n ASN 104 Ca -0.20 -0.43 -0.21 0.00 1.68 0.00 0.00 54.58 55.41 1wk0 n ASN 104 Cb 0.56 -2.50 0.03 0.00 -1.54 0.00 0.00 39.78 36.34 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wk0 n SER 105 N -2.21 -5.98 -4.07 6.41 7.64 -1.26 -4.97 113.62 109.18 1wk0 n SER 105 Ca 0.01 -0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.32 1wk0 n SER 105 Cb 0.52 -4.82 -0.14 0.00 -1.01 0.00 0.00 64.21 58.76 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 -3.15 2.61 -0.27 0.44 1.01 0.31 -5.08 121.20 117.08 1wk0 s ILE 106 Ca 0.26 -2.08 -0.27 0.00 0.00 0.00 0.00 60.65 58.56 1wk0 s ILE 106 Cb -0.11 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1wk0 s ILE 106 CO 0.32 -0.50 0.95 -0.54 0.00 0.00 0.00 174.94 175.17 1wk0 s LYS 107 N 1.03 4.15 0.00 2.79 1.02 -1.26 -3.34 119.74 124.12 1wk0 s LYS 107 Ca 0.06 1.07 0.00 0.00 0.02 0.00 0.00 55.97 57.12 1wk0 s LYS 107 Cb -0.20 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1wk0 s LYS 107 CO -0.06 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1wk0 n GLY 108 N 3.69 0.51 2.92 -3.33 0.00 -1.25 -4.96 105.19 102.77 1wk0 n GLY 108 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 2.84 0.30 0.64 2.61 2.01 -1.26 -5.01 115.64 117.77 1wk0 s THR 109 Ca 0.00 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 1wk0 s THR 109 Cb 0.00 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1wk0 s THR 109 CO 0.00 0.10 1.11 -2.16 -0.69 0.00 0.00 174.62 172.98 1wk0 s PRO 110 N 0.07 2.87 0.53 4.92 0.04 -1.26 -4.34 135.00 137.83 1wk0 s PRO 110 Ca -0.00 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1wk0 s PRO 110 Cb -0.03 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.67 1wk0 s PRO 110 CO -0.00 -1.20 0.61 -1.13 0.04 0.00 0.00 177.00 175.32 1wk0 n SER 111 N -2.28 -0.57 -3.41 6.66 3.41 -1.18 -4.98 113.62 111.27 1wk0 n SER 111 Ca 0.10 -1.07 -0.30 0.00 -0.26 0.00 0.00 58.87 57.34 1wk0 n SER 111 Cb 0.52 -0.50 0.29 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.68 -4.56 -3.97 4.33 4.71 -1.26 -4.72 120.64 112.49 1wk0 n GLU 112 Ca 0.08 -1.35 -0.36 0.00 -0.01 0.00 0.00 57.16 55.52 1wk0 n GLU 112 Cb 0.28 -1.94 -0.06 0.00 -1.01 0.00 0.00 31.44 28.71 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wk0 s ALA 113 N -2.15 3.79 -0.33 0.62 0.00 -1.26 -4.56 121.76 117.87 1wk0 s ALA 113 Ca 0.67 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1wk0 s ALA 113 Cb -0.14 -1.85 0.10 0.00 0.00 0.00 0.00 23.12 21.23 1wk0 s ALA 113 CO 0.57 0.65 0.05 -2.00 0.00 0.00 0.00 175.76 175.04 1wk0 s GLU 114 N -1.27 1.35 -0.18 0.00 2.56 -0.64 -4.89 118.70 115.64 1wk0 s GLU 114 Ca 0.18 -1.69 -0.29 0.00 0.00 0.00 0.00 54.97 53.17 1wk0 s GLU 114 Cb -0.12 -2.95 -0.03 0.00 2.00 0.00 0.00 34.13 33.03 1wk0 s GLU 114 CO 0.08 -0.93 1.52 -1.50 -0.56 0.00 0.00 175.26 173.87 1wk0 s ILE 115 N 1.05 3.83 -0.17 -3.70 2.07 -1.26 -2.76 121.20 120.27 1wk0 s ILE 115 Ca 0.10 0.97 -0.02 0.00 -1.41 0.00 0.00 60.65 60.30 1wk0 s ILE 115 Cb -0.19 -3.75 0.05 0.00 0.13 0.00 0.00 42.46 38.70 1wk0 s ILE 115 CO -0.11 -0.22 -0.00 0.72 -1.91 0.00 0.00 174.94 173.41 1wk0 s PHE 116 N 4.48 1.29 0.01 3.50 -0.12 -0.93 -5.00 117.98 121.21 1wk0 s PHE 116 Ca 0.67 -0.89 -0.27 0.00 -0.05 0.00 0.00 56.93 56.39 1wk0 s PHE 116 Cb -0.25 -1.12 -0.04 0.00 -0.63 0.00 0.00 43.02 40.97 1wk0 s PHE 116 CO 0.26 -0.58 0.87 0.99 -0.05 0.00 0.00 175.22 176.71 1wk0 s THR 117 N 1.77 4.83 0.09 -4.49 2.01 -1.26 -4.15 115.64 114.44 1wk0 s THR 117 Ca 0.00 1.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 1wk0 s THR 117 Cb -0.16 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1wk0 s THR 117 CO -0.07 0.25 0.30 0.42 -0.69 0.00 0.00 174.62 174.82 1wk0 s THR 118 N 0.60 5.27 0.76 -0.82 -4.23 -0.90 -4.96 115.64 111.36 1wk0 s THR 118 Ca 0.45 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 1wk0 s THR 118 Cb -0.20 -3.62 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1wk0 s THR 118 CO 0.25 0.12 1.09 -1.48 -0.54 0.00 0.00 174.62 174.06 1wk0 s LEU 119 N -2.48 3.04 0.37 4.79 2.34 -1.24 -1.67 118.68 123.83 1wk0 s LEU 119 Ca 0.37 1.79 -0.22 0.00 0.06 0.00 0.00 54.13 56.13 1wk0 s LEU 119 Cb -0.13 -4.51 -0.10 0.00 -0.56 0.00 0.00 46.19 40.89 1wk0 s LEU 119 CO 0.25 -1.96 0.92 -0.44 -1.06 0.00 0.00 176.35 174.06 1wk0 s SER 120 N -3.45 7.08 0.33 1.48 0.01 -1.26 -1.56 113.70 116.33 1wk0 s SER 120 Ca 0.61 1.70 0.26 0.00 1.31 0.00 0.00 55.95 59.83 1wk0 s SER 120 Cb -0.17 -2.54 1.11 0.00 0.21 0.00 0.00 66.02 64.63 1wk0 s SER 120 CO 0.56 -0.22 1.12 0.00 0.41 0.00 0.00 173.24 175.10 1wk0 s GLU 122 N -4.68 3.93 -0.59 0.00 1.03 -1.26 -5.01 118.70 112.13 1wk0 s GLU 122 Ca -0.05 0.44 -0.27 0.00 0.03 0.00 0.00 54.97 55.12 1wk0 s GLU 122 Cb 0.21 -2.82 -0.02 0.00 -0.80 0.00 0.00 34.13 30.70 1wk0 s GLU 122 CO 0.60 0.42 1.85 -1.25 -1.33 0.00 0.00 175.26 175.54 1wk0 s PRO 123 N -2.26 2.69 0.10 -4.83 0.04 -1.26 -4.68 135.00 124.80 1wk0 s PRO 123 Ca 0.41 0.67 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1wk0 s PRO 123 Cb -0.14 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1wk0 s PRO 123 CO 0.20 -2.65 0.00 -0.40 0.04 0.00 0.00 177.00 174.19 1wk0 n ASP 124 N 12.50 0.55 -4.22 6.66 5.68 -1.26 -5.01 116.55 131.45 1wk0 n ASP 124 Ca 0.20 0.15 -0.41 0.00 -0.50 0.00 0.00 54.79 54.24 1wk0 n ASP 124 Cb 0.52 -0.11 -0.14 0.00 -1.14 0.00 0.00 41.12 40.25 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1wk0 n ILE 125 N -3.30 0.00 0.36 2.12 -0.00 -1.26 -4.73 119.36 112.55 1wk0 n ILE 125 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 62.75 62.89 1wk0 n ILE 125 Cb 0.13 -0.47 0.56 0.00 -0.00 0.00 0.00 39.64 39.86 1wk0 n ILE 125 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1wk0 h PRO 126 N 11.01 0.00 -2.91 0.38 0.13 -2.02 -3.33 132.00 135.27 1wk0 h PRO 126 Ca -0.05 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.40 1wk0 h PRO 126 Cb 1.25 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 1wk0 h PRO 126 CO 1.28 0.00 -0.18 0.27 -0.23 0.00 0.00 178.00 179.14 1wk0 n ASN 127 N -2.52 4.22 -4.69 1.44 6.94 -1.26 -5.06 115.26 114.33 1wk0 n ASN 127 Ca 0.02 -3.27 -0.42 0.00 -0.02 0.00 0.00 54.58 50.88 1wk0 n ASN 127 Cb 0.25 -0.93 -0.03 0.00 -2.36 0.00 0.00 39.78 36.71 1wk0 n ASN 127 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1wk0 s PRO 128 N -1.91 4.27 0.00 -0.53 0.04 -1.25 -4.89 135.00 130.72 1wk0 s PRO 128 Ca 0.31 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.52 1wk0 s PRO 128 Cb 0.01 -3.59 0.87 0.00 0.04 0.00 0.00 34.50 31.83 1wk0 s PRO 128 CO -0.07 -0.61 1.37 -0.35 0.04 0.00 0.00 177.00 177.38 1wk0 n PRO 129 N 5.45 0.39 -3.01 0.56 -0.04 -1.26 -4.49 135.00 132.60 1wk0 n PRO 129 Ca 0.14 0.05 -0.44 0.00 -0.04 0.00 0.00 63.50 63.21 1wk0 n PRO 129 Cb 0.43 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1wk0 n PRO 129 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1wk0 s ARG 130 N -2.21 3.28 0.14 0.54 3.52 -1.26 -4.70 118.95 118.26 1wk0 s ARG 130 Ca 0.20 -1.44 -0.16 0.00 -0.13 0.00 0.00 55.73 54.20 1wk0 s ARG 130 Cb 0.10 -4.47 -0.07 0.00 -1.56 0.00 0.00 34.95 28.96 1wk0 s ARG 130 CO 0.20 -1.66 0.57 0.96 -0.81 0.00 0.00 175.30 174.56 1wk0 s ILE 131 N 2.78 4.81 0.06 4.11 -4.36 -1.26 -4.98 121.20 122.35 1wk0 s ILE 131 Ca 0.21 0.95 0.00 0.00 -0.26 0.00 0.00 60.65 61.55 1wk0 s ILE 131 Cb -0.15 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 39.78 1wk0 s ILE 131 CO 0.01 0.30 0.00 -1.20 0.24 0.00 0.00 174.94 174.29 1wk0 n SER 132 N 0.98 0.24 0.00 4.36 7.64 -1.26 -5.17 113.62 120.41 1wk0 n SER 132 Ca -0.06 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wk0 n SER 132 Cb 0.52 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1wk0 n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wk0 n GLY 133 N 2.61 1.32 3.77 0.23 0.00 -1.26 -5.01 105.19 106.86 1wk0 n GLY 133 Ca 0.00 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.91 4.30 -0.42 1.61 0.04 -1.26 -4.88 135.00 130.48 1wk0 s PRO 134 Ca 0.00 1.99 -0.43 0.00 0.04 0.00 0.00 61.00 62.60 1wk0 s PRO 134 Cb 0.00 -2.95 -0.17 0.00 0.04 0.00 0.00 34.50 31.42 1wk0 s PRO 134 CO 0.00 -0.16 1.86 0.43 0.04 0.00 0.00 177.00 179.17 1wk0 n SER 135 N 0.61 1.52 -3.75 6.66 7.64 -1.26 -4.90 113.62 120.14 1wk0 n SER 135 Ca 0.01 0.93 -0.13 0.00 1.01 0.00 0.00 58.87 60.69 1wk0 n SER 135 Cb 0.44 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 62.57 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wk0 s SER 136 N 4.50 0.47 0.00 6.43 0.01 -1.26 -5.34 113.70 118.51 1wk0 s SER 136 Ca 1.08 -1.31 0.16 0.00 1.31 0.00 0.00 55.95 57.18 1wk0 s SER 136 Cb -1.31 0.55 0.95 0.00 0.21 0.00 0.00 66.02 66.43 1wk0 s SER 136 CO 0.69 -1.10 1.36 0.61 0.41 0.00 0.00 173.24 175.21