#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 1.80 -4.56 1.61 2.88 -1.26 -4.84 113.62 109.25 1wk0 n SER 2 Ca 0.00 0.30 -0.22 0.00 -1.33 0.00 0.00 58.87 57.62 1wk0 n SER 2 Cb 0.00 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.73 1wk0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wk0 s SER 3 N -5.99 4.49 0.00 -3.46 0.15 -1.26 -4.62 113.70 103.02 1wk0 s SER 3 Ca -0.25 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1wk0 s SER 3 Cb 0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1wk0 s SER 3 CO 0.36 -3.28 0.00 0.61 1.20 0.00 0.00 173.24 172.13 1wk0 n GLY 4 N 6.70 4.16 0.77 9.45 0.00 -1.26 -5.08 105.19 119.92 1wk0 n GLY 4 Ca 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1wk0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wk0 n SER 5 N 0.00 1.16 -4.75 1.61 7.64 -1.26 -5.03 113.62 112.98 1wk0 n SER 5 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1wk0 n SER 5 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wk0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wk0 s SER 6 N -4.56 6.69 0.00 6.43 1.04 -1.26 -4.92 113.70 117.12 1wk0 s SER 6 Ca 0.00 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.08 1wk0 s SER 6 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wk0 s SER 6 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1wk0 n GLY 7 N 1.92 2.50 0.15 7.32 0.00 -1.26 -5.02 105.19 110.80 1wk0 n GLY 7 Ca 0.05 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1wk0 h ASP 8 N 0.00 0.37 -1.26 1.61 3.04 -2.01 -2.62 116.42 115.56 1wk0 h ASP 8 Ca 0.00 -0.09 0.46 0.00 -3.24 0.00 0.00 57.03 54.16 1wk0 h ASP 8 Cb 0.00 -0.09 -0.15 0.00 -1.04 0.00 0.00 39.33 38.04 1wk0 h ASP 8 CO 0.00 0.35 0.77 -0.62 -2.04 0.00 0.00 179.24 177.70 1wk0 n GLU 9 N -4.81 -0.04 -0.11 4.15 1.02 -1.26 0.15 120.64 119.74 1wk0 n GLU 9 Ca -0.02 1.30 -0.12 0.00 -0.02 0.00 0.00 57.16 58.31 1wk0 n GLU 9 Cb 0.08 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 28.97 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wk0 h GLU 10 N 0.00 0.63 -0.71 3.49 5.08 -1.86 -2.91 114.58 118.29 1wk0 h GLU 10 Ca 0.88 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 59.00 1wk0 h GLU 10 Cb 2.65 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.84 1wk0 h GLU 10 CO -0.57 0.83 0.46 1.15 -1.00 0.00 0.00 179.01 179.87 1wk0 h THR 11 N 0.39 1.12 0.36 1.13 2.02 0.14 -2.80 112.91 115.27 1wk0 h THR 11 Ca 0.07 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1wk0 h THR 11 Cb 0.62 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1wk0 h THR 11 CO 0.04 0.16 -0.32 0.11 0.37 0.00 0.00 175.52 175.89 1wk0 h LYS 12 N 0.90 -0.66 -1.09 6.66 1.57 -1.28 -0.64 116.57 122.03 1wk0 h LYS 12 Ca 0.28 0.05 0.30 0.00 -1.87 0.00 0.00 60.65 59.40 1wk0 h LYS 12 Cb -0.02 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 1wk0 h LYS 12 CO -0.09 -0.44 0.71 0.00 -0.57 0.00 0.00 179.45 179.05 1wk0 h ALA 13 N -0.17 2.37 -0.01 3.86 0.00 -1.33 0.56 119.26 124.55 1wk0 h ALA 13 Ca -0.03 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1wk0 h ALA 13 Cb 0.61 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wk0 h ALA 13 CO -0.04 -0.81 -0.85 0.74 0.00 0.00 0.00 179.25 178.30 1wk0 h PHE 14 N 0.31 0.35 -0.12 0.00 0.04 -1.11 0.11 116.94 116.52 1wk0 h PHE 14 Ca 0.63 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 61.14 1wk0 h PHE 14 Cb 1.72 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.82 1wk0 h PHE 14 CO -0.00 0.97 -0.25 0.93 -0.60 0.00 0.00 178.31 179.36 1wk0 h GLU 15 N 0.14 0.22 0.01 1.51 5.08 0.16 0.29 114.58 121.99 1wk0 h GLU 15 Ca -0.04 -0.07 -0.32 0.00 -1.00 0.00 0.00 59.36 57.92 1wk0 h GLU 15 Cb 1.46 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 1wk0 h GLU 15 CO 0.13 0.46 -1.95 0.00 -1.00 0.00 0.00 179.01 176.66 1wk0 n ALA 16 N -2.48 1.43 -0.01 3.43 0.00 -0.62 -3.76 120.51 118.49 1wk0 n ALA 16 Ca -0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 1wk0 n ALA 16 Cb 0.36 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 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 0.01 -0.07 -2.17 0.00 5.85 -0.68 -3.13 115.31 115.13 1wk0 h LEU 17 Ca -0.38 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 57.86 1wk0 h LEU 17 Cb 2.07 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 1wk0 h LEU 17 CO 0.06 0.63 0.20 -0.07 -0.34 0.00 0.00 178.44 178.93 1wk0 h LEU 18 N -0.90 0.00 -3.69 2.25 3.38 -0.62 0.17 115.31 115.90 1wk0 h LEU 18 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1wk0 h LEU 18 Cb 0.61 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 1wk0 h LEU 18 CO 0.01 0.00 0.33 -0.24 0.09 0.00 0.00 178.44 178.63 1wk0 n SER 19 N -3.99 4.59 -0.83 -0.43 2.88 -1.23 -4.25 113.62 110.35 1wk0 n SER 19 Ca 0.02 -3.23 0.01 0.00 -1.33 0.00 0.00 58.87 54.35 1wk0 n SER 19 Cb 0.34 -0.76 0.18 0.00 -0.75 0.00 0.00 64.21 63.22 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wk0 n ASN 20 N -0.27 2.24 -3.85 -3.46 2.85 0.59 -4.90 115.26 108.46 1wk0 n ASN 20 Ca 0.43 -3.88 -0.15 0.00 -0.11 0.00 0.00 54.58 50.87 1wk0 n ASN 20 Cb 1.40 -0.50 0.07 0.00 1.24 0.00 0.00 39.78 41.99 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1wk0 n ILE 21 N -1.05 0.00 -5.11 -1.44 -0.00 -1.26 -0.73 119.36 109.77 1wk0 n ILE 21 Ca 0.23 -1.18 -0.32 0.00 -0.00 0.00 0.00 62.75 61.48 1wk0 n ILE 21 Cb 0.74 -0.88 -0.16 0.00 -0.00 0.00 0.00 39.64 39.34 1wk0 n ILE 21 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1wk0 s VAL 22 N -1.77 2.38 0.39 7.28 1.01 -1.24 -4.95 120.40 123.49 1wk0 s VAL 22 Ca 0.43 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1wk0 s VAL 22 Cb -0.03 -1.92 -0.14 0.00 0.00 0.00 0.00 36.38 34.30 1wk0 s VAL 22 CO 0.28 0.56 0.51 2.29 0.00 0.00 0.00 175.10 178.74 1wk0 n LYS 23 N 3.19 0.49 -1.17 2.72 2.85 -1.26 -4.07 118.16 120.90 1wk0 n LYS 23 Ca -0.18 0.18 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 1wk0 n LYS 23 Cb 0.52 -1.41 0.17 0.00 -0.65 0.00 0.00 35.03 33.66 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 -1.44 0.66 -0.01 -1.58 0.04 -1.26 -4.71 135.00 126.70 1wk0 s PRO 24 Ca 0.62 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1wk0 s PRO 24 Cb -0.65 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1wk0 s PRO 24 CO 0.59 -2.60 -0.00 0.08 0.04 0.00 0.00 177.00 175.11 1wk0 s VAL 25 N -2.95 0.09 -0.03 -0.36 1.01 -0.34 -4.73 120.40 113.09 1wk0 s VAL 25 Ca 0.65 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1wk0 s VAL 25 Cb -0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 1wk0 s VAL 25 CO 0.57 0.07 0.48 0.00 0.00 0.00 0.00 175.10 176.22 1wk0 s ALA 26 N 0.41 3.58 0.00 5.51 0.00 -1.26 -1.43 121.76 128.57 1wk0 s ALA 26 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1wk0 s ALA 26 Cb -0.06 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1wk0 s ALA 26 CO -0.01 0.27 0.00 -1.13 0.00 0.00 0.00 175.76 174.89 1wk0 n SER 27 N 2.52 0.00 -3.00 0.00 3.41 -1.09 -4.89 113.62 110.56 1wk0 n SER 27 Ca -0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 1wk0 n SER 27 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.76 6.00 -4.64 4.04 2.03 -1.26 -4.88 116.55 116.10 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 -1.24 -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 2.60 3.67 0.39 5.18 1.01 -1.26 -2.59 121.20 130.21 1wk0 s ILE 29 Ca 0.52 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1wk0 s ILE 29 Cb 0.16 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 39.01 1wk0 s ILE 29 CO -0.04 -0.24 0.24 0.00 0.00 0.00 0.00 174.94 174.91 1wk0 n GLN 30 N 7.55 0.94 0.00 2.79 6.02 0.25 -4.71 117.38 130.22 1wk0 n GLN 30 Ca 0.19 -2.55 0.00 0.00 -0.01 0.00 0.00 57.00 54.63 1wk0 n GLN 30 Cb 0.45 0.36 0.00 0.00 1.02 0.00 0.00 30.24 32.07 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 -2.09 0.00 -0.03 -1.58 0.00 -1.26 -3.49 120.51 112.06 1wk0 n ALA 31 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 1wk0 n ALA 31 Cb 0.46 0.36 -0.07 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.19 2.06 -3.45 0.00 1.74 -1.26 -3.85 116.66 109.70 1wk0 n ARG 32 Ca 0.00 -0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 1wk0 n ARG 32 Cb 0.00 -1.21 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1wk0 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wk0 s THR 33 N -2.31 5.12 0.17 0.55 -4.23 -1.26 -3.88 115.64 109.82 1wk0 s THR 33 Ca -0.04 -0.49 -0.20 0.00 -1.18 0.00 0.00 61.69 59.78 1wk0 s THR 33 Cb 0.03 -3.85 0.05 0.00 1.34 0.00 0.00 72.50 70.07 1wk0 s THR 33 CO 0.35 -0.51 0.55 0.68 -0.54 0.00 0.00 174.62 175.15 1wk0 s VAL 34 N -2.25 0.02 -0.52 2.29 -7.23 -1.23 0.85 120.40 112.33 1wk0 s VAL 34 Ca 0.39 -0.44 -0.11 0.00 -1.81 0.00 0.00 61.98 60.01 1wk0 s VAL 34 Cb -0.10 -1.30 0.13 0.00 0.56 0.00 0.00 36.38 35.67 1wk0 s VAL 34 CO 0.35 -0.10 0.42 -0.69 -0.31 0.00 0.00 175.10 174.77 1wk0 s VAL 35 N -3.81 4.55 -0.27 1.32 1.01 -1.07 -1.72 120.40 120.41 1wk0 s VAL 35 Ca 0.05 -1.81 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 1wk0 s VAL 35 Cb -0.01 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1wk0 s VAL 35 CO -0.08 -0.82 0.53 -0.22 0.00 0.00 0.00 175.10 174.51 1wk0 s LEU 36 N 1.28 4.07 -0.14 3.92 2.96 -0.43 -2.69 118.68 127.66 1wk0 s LEU 36 Ca 0.06 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1wk0 s LEU 36 Cb -0.26 -2.69 -0.00 0.00 0.50 0.00 0.00 46.19 43.74 1wk0 s LEU 36 CO -0.00 -0.32 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.65 1wk0 s THR 37 N 2.35 2.56 0.11 3.68 2.01 -0.51 -2.03 115.64 123.81 1wk0 s THR 37 Ca 0.22 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1wk0 s THR 37 Cb -0.16 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1wk0 s THR 37 CO 0.09 0.53 -0.05 -1.66 -0.69 0.00 0.00 174.62 172.84 1wk0 s TRP 38 N 0.64 0.95 0.14 4.92 -2.14 -1.26 -1.20 118.94 121.00 1wk0 s TRP 38 Ca -0.09 -0.93 0.01 0.00 2.66 0.00 0.00 56.10 57.75 1wk0 s TRP 38 Cb -0.16 -0.54 -0.04 0.00 -3.10 0.00 0.00 33.47 29.63 1wk0 s TRP 38 CO 0.02 -0.16 0.30 -1.12 -2.66 0.00 0.00 176.95 173.33 1wk0 s SER 39 N -3.07 6.36 0.96 -2.66 0.01 -1.26 -4.64 113.70 109.41 1wk0 s SER 39 Ca 0.14 0.27 -0.12 0.00 1.31 0.00 0.00 55.95 57.54 1wk0 s SER 39 Cb 0.05 -1.95 0.17 0.00 0.21 0.00 0.00 66.02 64.50 1wk0 s SER 39 CO -0.03 0.05 1.09 -2.16 0.41 0.00 0.00 173.24 172.60 1wk0 s PRO 40 N -3.08 0.72 0.57 12.44 0.04 -1.26 -3.68 135.00 140.75 1wk0 s PRO 40 Ca 0.36 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 1wk0 s PRO 40 Cb -0.11 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wk0 s PRO 40 CO 0.28 -2.56 1.12 -1.25 0.04 0.00 0.00 177.00 174.63 1wk0 s PRO 41 N -4.95 3.21 -0.41 0.56 0.04 -1.26 -4.43 135.00 127.76 1wk0 s PRO 41 Ca 0.65 1.55 -0.17 0.00 0.04 0.00 0.00 61.00 63.06 1wk0 s PRO 41 Cb -0.18 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1wk0 s PRO 41 CO 0.57 -0.96 0.44 -1.12 0.04 0.00 0.00 177.00 175.98 1wk0 s SER 42 N -1.99 6.21 -0.41 6.66 0.01 0.09 -4.90 113.70 119.36 1wk0 s SER 42 Ca 0.71 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 1wk0 s SER 42 Cb -0.23 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1wk0 s SER 42 CO 0.31 -0.55 1.41 -0.44 0.41 0.00 0.00 173.24 174.37 1wk0 s SER 43 N 1.81 6.35 -0.04 2.44 0.01 -1.26 -4.83 113.70 118.18 1wk0 s SER 43 Ca 0.13 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.25 1wk0 s SER 43 Cb -0.17 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.65 1wk0 s SER 43 CO 0.14 -1.42 0.69 0.18 0.41 0.00 0.00 173.24 173.24 1wk0 n LEU 44 N 8.78 1.71 0.22 2.44 4.77 -1.26 -4.14 117.00 129.51 1wk0 n LEU 44 Ca 0.16 -0.86 0.14 0.00 -0.03 0.00 0.00 56.01 55.42 1wk0 n LEU 44 Cb 0.48 -0.52 0.74 0.00 -2.33 0.00 0.00 43.42 41.79 1wk0 n LEU 44 CO 0.70 0.31 0.94 0.40 -1.33 0.00 0.00 177.39 178.40 1wk0 h ILE 45 N 0.61 0.00 -0.86 -0.08 2.04 -2.00 -3.45 117.51 113.77 1wk0 h ILE 45 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1wk0 h ILE 45 Cb 0.72 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1wk0 h ILE 45 CO 0.07 0.00 -0.19 0.59 0.00 0.00 0.00 178.15 178.62 1wk0 n ASN 46 N -2.48 -3.50 0.00 1.72 3.02 -1.26 -2.58 115.26 110.18 1wk0 n ASN 46 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1wk0 n ASN 46 Cb 0.10 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.95 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 -1.43 0.89 0.52 7.41 0.00 -1.26 -4.82 105.19 106.50 1wk0 n GLY 47 Ca -0.10 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.27 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 1.46 0.00 -6.17 1.61 4.57 -1.89 -3.40 114.58 110.76 1wk0 h GLU 48 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 1wk0 h GLU 48 Cb 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1wk0 h GLU 48 CO 0.00 0.00 -0.51 -0.08 -1.18 0.00 0.00 179.01 177.24 1wk0 s THR 49 N -4.94 4.78 0.50 0.32 -1.32 -1.26 -5.08 115.64 108.65 1wk0 s THR 49 Ca -0.05 -1.09 -0.22 0.00 -1.21 0.00 0.00 61.69 59.12 1wk0 s THR 49 Cb 0.23 -3.52 -0.07 0.00 -1.51 0.00 0.00 72.50 67.62 1wk0 s THR 49 CO 0.80 -0.22 1.14 -0.90 -2.21 0.00 0.00 174.62 173.22 1wk0 n ASP 50 N -0.86 1.77 0.20 8.08 5.75 -1.26 -4.86 116.55 125.37 1wk0 n ASP 50 Ca -0.08 0.97 0.14 0.00 -0.01 0.00 0.00 54.79 55.82 1wk0 n ASP 50 Cb 0.56 -1.45 0.64 0.00 -1.03 0.00 0.00 41.12 39.84 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1wk0 h GLU 51 N 1.35 0.00 -0.78 0.11 5.08 -1.98 -2.11 114.58 116.26 1wk0 h GLU 51 Ca -0.48 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.72 1wk0 h GLU 51 Cb 1.33 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.48 1wk0 h GLU 51 CO 0.56 0.00 0.21 -1.13 -1.00 0.00 0.00 179.01 177.65 1wk0 n SER 52 N -2.57 4.53 -0.03 1.42 3.41 -1.26 -4.46 113.62 114.67 1wk0 n SER 52 Ca 0.01 -3.01 -0.03 0.00 -0.26 0.00 0.00 58.87 55.58 1wk0 n SER 52 Cb 0.20 -0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 63.43 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wk0 n SER 53 N -0.00 0.59 -4.59 4.04 2.88 -0.79 -4.95 113.62 110.80 1wk0 n SER 53 Ca 0.34 0.10 -0.61 0.00 -1.33 0.00 0.00 58.87 57.37 1wk0 n SER 53 Cb 1.23 -0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 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 -3.09 0.12 -1.14 2.46 0.24 -1.26 -4.83 118.33 110.82 1wk0 n VAL 54 Ca -0.04 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.34 61.92 1wk0 n VAL 54 Cb 0.15 -0.86 0.19 0.00 -1.47 0.00 0.00 33.84 31.85 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 4.23 0.06 -0.03 7.34 0.04 -1.26 -5.01 135.00 140.38 1wk0 s PRO 55 Ca 1.07 0.40 0.04 0.00 0.04 0.00 0.00 61.00 62.55 1wk0 s PRO 55 Cb -1.29 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 31.61 1wk0 s PRO 55 CO 0.70 -2.95 0.89 -0.85 0.04 0.00 0.00 177.00 174.82 1wk0 n GLU 56 N -4.31 0.98 -1.03 4.56 0.28 -1.26 -4.75 120.64 115.12 1wk0 n GLU 56 Ca 0.06 -1.31 -0.04 0.00 -0.16 0.00 0.00 57.16 55.71 1wk0 n GLU 56 Cb 0.58 -0.83 0.33 0.00 1.43 0.00 0.00 31.44 32.94 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 -0.42 6.14 -4.51 -1.84 7.99 -1.26 -4.78 117.00 118.31 1wk0 n LEU 57 Ca 0.03 -3.19 -0.43 0.00 -0.01 0.00 0.00 56.01 52.42 1wk0 n LEU 57 Cb 0.52 -0.74 -0.06 0.00 -0.11 0.00 0.00 43.42 43.02 1wk0 n LEU 57 CO 0.00 0.78 1.97 -1.22 -1.51 0.00 0.00 177.39 177.41 1wk0 n TYR 58 N -0.02 1.41 -1.55 -1.77 4.01 -1.26 -4.73 117.16 113.25 1wk0 n TYR 58 Ca 0.40 0.18 -0.41 0.00 -0.16 0.00 0.00 57.90 57.91 1wk0 n TYR 58 Cb 1.38 -2.57 -0.04 0.00 -0.31 0.00 0.00 39.34 37.79 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 6.23 0.46 3.73 2.72 0.00 0.74 -4.61 105.19 114.47 1wk0 n GLY 59 Ca 0.42 0.77 -0.37 0.00 0.00 0.00 0.00 46.02 46.84 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 10.00 3.50 -0.16 1.61 2.02 0.25 0.66 117.35 135.22 1wk0 s TYR 60 Ca 1.03 0.77 -0.01 0.00 -0.37 0.00 0.00 57.07 58.49 1wk0 s TYR 60 Cb -0.40 -2.45 -0.01 0.00 -0.40 0.00 0.00 41.96 38.69 1wk0 s TYR 60 CO 0.34 0.21 -0.13 -2.00 -1.57 0.00 0.00 175.55 172.41 1wk0 s GLU 61 N 0.51 3.31 -0.32 -0.62 2.12 0.14 -2.64 118.70 121.19 1wk0 s GLU 61 Ca 0.22 -0.70 -0.22 0.00 0.36 0.00 0.00 54.97 54.62 1wk0 s GLU 61 Cb -0.14 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.56 1wk0 s GLU 61 CO 0.08 0.06 0.74 0.08 -0.54 0.00 0.00 175.26 175.67 1wk0 s VAL 62 N 0.75 4.82 -0.10 3.70 1.01 -0.88 -0.85 120.40 128.85 1wk0 s VAL 62 Ca -0.05 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.90 1wk0 s VAL 62 Cb -0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1wk0 s VAL 62 CO 0.01 -0.27 0.01 -0.76 0.00 0.00 0.00 175.10 174.09 1wk0 s LEU 63 N 2.89 3.63 -0.03 3.92 1.43 -0.50 -2.45 118.68 127.57 1wk0 s LEU 63 Ca 0.30 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.43 1wk0 s LEU 63 Cb -0.14 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1wk0 s LEU 63 CO 0.13 0.36 0.26 0.27 0.23 0.00 0.00 176.35 177.61 1wk0 s ILE 64 N -0.78 0.05 -0.41 -0.59 -4.36 -1.20 -1.09 121.20 112.81 1wk0 s ILE 64 Ca 0.12 -0.42 0.02 0.00 -0.26 0.00 0.00 60.65 60.11 1wk0 s ILE 64 Cb -0.12 -0.52 0.14 0.00 1.25 0.00 0.00 42.46 43.22 1wk0 s ILE 64 CO 0.02 -0.23 0.26 -0.55 0.24 0.00 0.00 174.94 174.68 1wk0 s SER 65 N -0.99 3.10 0.58 4.36 0.15 -1.25 -2.91 113.70 116.73 1wk0 s SER 65 Ca -0.11 -2.58 0.33 0.00 0.70 0.00 0.00 55.95 54.29 1wk0 s SER 65 Cb -0.05 -0.72 1.40 0.00 -1.71 0.00 0.00 66.02 64.94 1wk0 s SER 65 CO 0.03 -0.26 1.71 0.77 1.20 0.00 0.00 173.24 176.69 1wk0 h SER 66 N 6.61 0.00 0.30 5.45 4.64 -1.89 -1.73 113.55 126.93 1wk0 h SER 66 Ca 0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1wk0 h SER 66 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1wk0 h SER 66 CO 0.39 0.00 -0.15 0.74 -0.87 0.00 0.00 176.83 176.94 1wk0 h THR 67 N 0.00 0.00 -1.15 2.95 2.02 -1.93 -3.47 112.91 111.33 1wk0 h THR 67 Ca 0.45 -0.14 0.30 0.00 0.77 0.00 0.00 66.41 67.79 1wk0 h THR 67 Cb 2.14 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 68.34 1wk0 h THR 67 CO -0.00 0.00 0.94 -0.83 0.37 0.00 0.00 175.52 175.99 1wk0 s GLY 68 N -1.82 -0.19 0.65 2.16 0.00 -0.65 -4.99 107.32 102.48 1wk0 s GLY 68 Ca -0.06 1.95 0.29 0.00 0.00 0.00 0.00 44.72 46.90 1wk0 s GLY 68 CO 0.18 0.67 1.89 1.70 0.00 0.00 0.00 173.10 177.54 1wk0 h LYS 69 N 2.01 0.00 -1.26 2.90 3.64 -1.95 0.59 116.57 122.49 1wk0 h LYS 69 Ca -0.04 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.69 1wk0 h LYS 69 Cb 1.14 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.61 1wk0 h LYS 69 CO 0.20 0.00 0.13 -3.47 -2.27 0.00 0.00 179.45 174.04 1wk0 n ASP 70 N -3.01 6.30 0.00 4.20 -0.08 -1.26 -4.98 116.55 117.73 1wk0 n ASP 70 Ca -0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.50 1wk0 n ASP 70 Cb 0.44 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.18 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wk0 n GLY 71 N -0.69 5.46 3.81 0.27 0.00 0.20 -5.14 105.19 109.10 1wk0 n GLY 71 Ca 0.51 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 1.83 3.92 0.12 1.61 2.20 -1.26 -4.99 119.74 123.16 1wk0 s LYS 72 Ca 0.00 0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.88 1wk0 s LYS 72 Cb 0.00 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 1wk0 s LYS 72 CO 0.00 0.56 -0.08 0.71 -0.36 0.00 0.00 175.35 176.18 1wk0 s TYR 73 N -0.55 2.77 0.39 4.03 1.51 -1.26 -4.39 117.35 119.84 1wk0 s TYR 73 Ca 0.20 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 1wk0 s TYR 73 Cb -0.14 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1wk0 s TYR 73 CO 0.08 0.45 0.14 -1.59 -1.11 0.00 0.00 175.55 173.53 1wk0 s LYS 74 N -2.38 1.86 -0.27 -0.62 0.00 -1.15 -4.92 119.74 112.28 1wk0 s LYS 74 Ca 0.23 -2.12 -0.10 0.00 0.00 0.00 0.00 55.97 53.98 1wk0 s LYS 74 Cb -0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 37.83 37.22 1wk0 s LYS 74 CO 0.15 -0.48 0.14 -1.54 0.00 0.00 0.00 175.35 173.62 1wk0 s SER 75 N -3.55 5.70 -0.07 0.03 1.04 -1.26 -3.26 113.70 112.32 1wk0 s SER 75 Ca 0.27 -0.07 0.19 0.00 0.48 0.00 0.00 55.95 56.82 1wk0 s SER 75 Cb 0.03 -2.05 -0.29 0.00 0.10 0.00 0.00 66.02 63.82 1wk0 s SER 75 CO 0.16 -0.04 0.33 1.33 0.98 0.00 0.00 173.24 176.01 1wk0 n VAL 76 N 4.96 0.36 -3.60 5.02 0.24 -1.03 -5.00 118.33 119.28 1wk0 n VAL 76 Ca -0.15 -0.55 -0.14 0.00 -2.04 0.00 0.00 64.34 61.46 1wk0 n VAL 76 Cb 0.52 -0.11 -0.07 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.11 -0.72 -0.21 6.34 6.14 -1.26 -4.70 117.35 119.83 1wk0 s TYR 77 Ca -0.08 1.64 -0.04 0.00 0.64 0.00 0.00 57.07 59.23 1wk0 s TYR 77 Cb 0.11 0.31 0.08 0.00 0.42 0.00 0.00 41.96 42.88 1wk0 s TYR 77 CO 0.81 -0.42 0.14 0.08 0.64 0.00 0.00 175.55 176.80 1wk0 s VAL 78 N -0.03 -0.17 0.07 3.14 1.01 -1.26 -2.08 120.40 121.09 1wk0 s VAL 78 Ca -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1wk0 s VAL 78 Cb -0.04 -0.70 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 1wk0 s VAL 78 CO 0.02 -0.36 0.07 0.61 0.00 0.00 0.00 175.10 175.45 1wk0 n GLY 79 N 5.29 3.61 0.10 4.51 0.00 -1.08 -4.97 105.19 112.63 1wk0 n GLY 79 Ca -0.06 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.13 0.91 -2.00 1.61 4.71 -1.26 -0.59 120.64 123.89 1wk0 n GLU 80 Ca 0.01 0.02 -0.35 0.00 -0.01 0.00 0.00 57.16 56.83 1wk0 n GLU 80 Cb 0.13 -1.47 0.03 0.00 -1.01 0.00 0.00 31.44 29.12 1wk0 n GLU 80 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1wk0 s GLU 81 N -2.45 2.98 -0.08 3.49 -1.05 -1.26 -4.41 118.70 115.92 1wk0 s GLU 81 Ca -0.14 1.73 -0.27 0.00 -0.15 0.00 0.00 54.97 56.14 1wk0 s GLU 81 Cb 0.06 -1.94 -0.23 0.00 -0.44 0.00 0.00 34.13 31.58 1wk0 s GLU 81 CO 0.71 -1.17 1.01 1.79 0.95 0.00 0.00 175.26 178.54 1wk0 h THR 82 N 0.80 1.57 -3.34 1.83 1.35 -1.92 -3.43 112.91 109.76 1wk0 h THR 82 Ca -0.50 -1.74 -0.60 0.00 -0.55 0.00 0.00 66.41 63.03 1wk0 h THR 82 Cb 1.28 2.75 -0.09 0.00 -1.73 0.00 0.00 68.15 70.36 1wk0 h THR 82 CO 0.55 0.45 0.45 0.21 -0.25 0.00 0.00 175.52 176.92 1wk0 s ASN 83 N -5.95 6.78 0.07 5.36 3.84 -1.26 -4.01 114.94 119.78 1wk0 s ASN 83 Ca -0.17 0.92 -0.00 0.00 0.21 0.00 0.00 52.86 53.81 1wk0 s ASN 83 Cb -0.01 -2.43 -0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1wk0 s ASN 83 CO 0.67 -0.54 -0.02 0.27 -2.79 0.00 0.00 177.10 174.69 1wk0 s ILE 84 N 2.88 0.30 -0.19 -5.21 -5.25 -0.86 -5.03 121.20 107.84 1wk0 s ILE 84 Ca 0.34 -1.85 -0.04 0.00 -0.99 0.00 0.00 60.65 58.11 1wk0 s ILE 84 Cb -0.15 -1.63 -0.02 0.00 2.95 0.00 0.00 42.46 43.61 1wk0 s ILE 84 CO 0.09 -0.89 -0.04 -0.89 -1.79 0.00 0.00 174.94 171.42 1wk0 s THR 85 N -3.88 3.61 0.71 8.37 2.01 -1.26 -1.32 115.64 123.89 1wk0 s THR 85 Ca 0.11 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1wk0 s THR 85 Cb 0.07 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1wk0 s THR 85 CO -0.07 0.44 1.07 -0.76 -0.69 0.00 0.00 174.62 174.61 1wk0 s LEU 86 N 1.03 3.13 0.14 4.42 1.02 -0.70 -4.88 118.68 122.83 1wk0 s LEU 86 Ca 0.01 1.68 -0.13 0.00 0.02 0.00 0.00 54.13 55.70 1wk0 s LEU 86 Cb -0.15 -4.50 0.02 0.00 0.02 0.00 0.00 46.19 41.58 1wk0 s LEU 86 CO 0.01 -1.57 0.36 0.20 0.02 0.00 0.00 176.35 175.37 1wk0 s ASN 87 N -3.64 -0.12 -0.99 2.29 -0.87 -1.26 -3.51 114.94 106.84 1wk0 s ASN 87 Ca 0.59 -0.53 -0.01 0.00 -1.57 0.00 0.00 52.86 51.35 1wk0 s ASN 87 Cb -0.15 0.46 0.00 0.00 -0.02 0.00 0.00 41.25 41.54 1wk0 s ASN 87 CO 0.54 -0.88 0.83 0.47 -2.57 0.00 0.00 177.10 175.49 1wk0 n ASP 88 N -0.22 -2.35 -4.87 -1.22 8.00 -1.26 -5.00 116.55 109.64 1wk0 n ASP 88 Ca -0.13 -0.50 -0.26 0.00 0.71 0.00 0.00 54.79 54.61 1wk0 n ASP 88 Cb 0.63 -4.26 -0.02 0.00 -0.02 0.00 0.00 41.12 37.45 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wk0 s LEU 89 N -5.60 2.76 -0.31 0.64 1.43 -1.25 -5.11 118.68 111.24 1wk0 s LEU 89 Ca 0.04 -1.23 -0.09 0.00 -1.03 0.00 0.00 54.13 51.83 1wk0 s LEU 89 Cb -0.02 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 1wk0 s LEU 89 CO 0.59 -0.99 0.13 -0.75 0.23 0.00 0.00 176.35 175.56 1wk0 s LYS 90 N -4.20 3.25 0.74 1.70 2.20 -1.26 -4.80 119.74 117.38 1wk0 s LYS 90 Ca 0.33 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 1wk0 s LYS 90 Cb -0.01 -3.51 0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1wk0 s LYS 90 CO 0.20 -0.43 1.10 -1.25 -0.36 0.00 0.00 175.35 174.61 1wk0 s PRO 91 N 1.58 2.41 -1.52 4.03 0.04 -1.25 -3.68 135.00 136.60 1wk0 s PRO 91 Ca 0.04 1.24 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 1wk0 s PRO 91 Cb -0.17 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1wk0 s PRO 91 CO 0.05 -1.53 0.73 0.00 0.04 0.00 0.00 177.00 176.29 1wk0 n ALA 92 N -3.20 -1.05 -2.79 8.56 0.00 -0.71 -4.88 120.51 116.43 1wk0 n ALA 92 Ca 0.09 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 1wk0 n ALA 92 Cb 0.53 -4.24 -0.09 0.00 0.00 0.00 0.00 19.45 15.64 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 -5.85 0.58 -0.10 0.00 0.00 -1.24 -4.97 119.30 107.72 1wk0 s MET 93 Ca 0.37 -0.69 0.03 0.00 0.00 0.00 0.00 55.69 55.40 1wk0 s MET 93 Cb -0.16 0.23 0.01 0.00 0.00 0.00 0.00 34.83 34.90 1wk0 s MET 93 CO 0.46 -0.15 -0.21 0.16 0.00 0.00 0.00 175.02 175.29 1wk0 s ASP 94 N -2.01 2.79 0.20 1.11 1.47 -1.26 -1.74 116.67 117.23 1wk0 s ASP 94 Ca -0.07 -0.51 -0.08 0.00 1.18 0.00 0.00 52.55 53.08 1wk0 s ASP 94 Cb -0.02 -1.28 -0.02 0.00 -0.34 0.00 0.00 42.92 41.26 1wk0 s ASP 94 CO -0.04 0.11 0.30 -0.72 0.68 0.00 0.00 175.17 175.50 1wk0 s TYR 95 N 0.55 0.61 0.42 2.11 1.13 -1.23 -4.97 117.35 115.96 1wk0 s TYR 95 Ca -0.15 -0.94 -0.02 0.00 -1.41 0.00 0.00 57.07 54.56 1wk0 s TYR 95 Cb -0.17 -0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.54 1wk0 s TYR 95 CO 0.05 -0.78 0.66 -1.01 -2.51 0.00 0.00 175.55 171.96 1wk0 s HIS 96 N -4.04 3.46 0.10 -3.49 3.76 -1.26 -2.01 115.29 111.80 1wk0 s HIS 96 Ca 0.25 0.48 -0.06 0.00 -0.15 0.00 0.00 55.06 55.58 1wk0 s HIS 96 Cb 0.03 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 1wk0 s HIS 96 CO 0.06 -0.13 0.15 0.00 -0.85 0.00 0.00 174.74 173.97 1wk0 s ALA 97 N -2.52 0.08 0.24 -1.40 0.00 0.50 -3.74 121.76 114.92 1wk0 s ALA 97 Ca 0.44 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 1wk0 s ALA 97 Cb -0.10 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1wk0 s ALA 97 CO 0.40 -0.51 0.49 0.15 0.00 0.00 0.00 175.76 176.29 1wk0 s LYS 98 N -3.91 1.53 -0.08 0.00 1.02 -0.25 -0.20 119.74 117.85 1wk0 s LYS 98 Ca 0.10 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 54.89 1wk0 s LYS 98 Cb 0.05 0.48 0.03 0.00 -0.52 0.00 0.00 37.83 37.87 1wk0 s LYS 98 CO -0.07 -0.64 -0.01 0.54 -0.92 0.00 0.00 175.35 174.24 1wk0 s VAL 99 N -3.99 0.48 -0.21 3.17 0.11 -1.26 -1.41 120.40 117.29 1wk0 s VAL 99 Ca 0.20 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 1wk0 s VAL 99 Cb -0.01 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1wk0 s VAL 99 CO 0.07 0.27 -0.04 -1.58 -3.33 0.00 0.00 175.10 170.49 1wk0 s GLN 100 N 1.87 3.42 0.17 1.54 0.74 -0.02 -3.29 119.66 124.10 1wk0 s GLN 100 Ca 0.04 -0.61 -0.18 0.00 0.05 0.00 0.00 55.36 54.66 1wk0 s GLN 100 Cb -0.12 -2.99 -0.08 0.00 1.10 0.00 0.00 33.01 30.92 1wk0 s GLN 100 CO -0.05 -0.12 0.64 0.00 -0.55 0.00 0.00 175.29 175.21 1wk0 s ALA 101 N 1.28 3.50 -0.05 1.58 0.00 -1.26 0.28 121.76 127.09 1wk0 s ALA 101 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 1wk0 s ALA 101 Cb -0.14 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1wk0 s ALA 101 CO -0.01 0.38 0.13 -2.00 0.00 0.00 0.00 175.76 174.25 1wk0 s GLU 102 N -1.84 0.11 -0.16 0.00 2.12 0.21 -3.57 118.70 115.56 1wk0 s GLU 102 Ca 0.39 0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.91 1wk0 s GLU 102 Cb -0.17 -0.06 0.07 0.00 0.26 0.00 0.00 34.13 34.24 1wk0 s GLU 102 CO 0.20 -0.09 0.35 -0.47 -0.54 0.00 0.00 175.26 174.72 1wk0 s TYR 103 N 0.60 -0.60 -0.67 5.30 6.14 -1.14 -0.19 117.35 126.80 1wk0 s TYR 103 Ca -0.04 1.24 -0.02 0.00 0.64 0.00 0.00 57.07 58.89 1wk0 s TYR 103 Cb -0.06 0.17 0.00 0.00 0.42 0.00 0.00 41.96 42.49 1wk0 s TYR 103 CO -0.03 -0.39 0.22 -1.71 0.64 0.00 0.00 175.55 174.28 1wk0 n ASN 104 N 5.05 -3.42 -1.36 4.32 2.85 -1.26 -2.77 115.26 118.68 1wk0 n ASN 104 Ca -0.12 -0.11 -0.13 0.00 -0.11 0.00 0.00 54.58 54.11 1wk0 n ASN 104 Cb 0.51 -2.38 -0.02 0.00 1.24 0.00 0.00 39.78 39.13 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wk0 n SER 105 N 0.00 -4.23 -4.16 1.20 7.64 -1.26 -4.99 113.62 107.82 1wk0 n SER 105 Ca -0.06 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 1wk0 n SER 105 Cb 0.55 -3.27 -0.13 0.00 -1.01 0.00 0.00 64.21 60.36 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 -2.61 3.17 -0.19 0.44 1.01 -1.12 -5.09 121.20 116.82 1wk0 s ILE 106 Ca 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 60.65 58.86 1wk0 s ILE 106 Cb 0.00 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1wk0 s ILE 106 CO 0.00 -0.36 0.29 -0.54 0.00 0.00 0.00 174.94 174.33 1wk0 s LYS 107 N 1.21 4.20 0.00 2.79 1.02 -1.26 -2.86 119.74 124.84 1wk0 s LYS 107 Ca 0.01 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.04 1wk0 s LYS 107 Cb -0.21 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1wk0 s LYS 107 CO -0.02 0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1wk0 n GLY 108 N 3.69 2.12 3.83 -3.33 0.00 -1.23 -5.01 105.19 105.26 1wk0 n GLY 108 Ca -0.12 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 2.59 5.13 0.32 2.61 2.01 -1.26 -4.95 115.64 122.10 1wk0 s THR 109 Ca 0.00 0.72 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 1wk0 s THR 109 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1wk0 s THR 109 CO 0.00 0.56 1.22 -2.16 -0.69 0.00 0.00 174.62 173.55 1wk0 s PRO 110 N -0.89 4.41 0.82 4.92 0.04 -1.26 -4.69 135.00 138.35 1wk0 s PRO 110 Ca 0.22 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 1wk0 s PRO 110 Cb -0.16 -3.06 0.21 0.00 0.04 0.00 0.00 34.50 31.53 1wk0 s PRO 110 CO 0.11 -0.07 0.61 -1.13 0.04 0.00 0.00 177.00 176.56 1wk0 n SER 111 N 0.83 -2.39 -3.84 6.66 3.41 -1.21 -4.98 113.62 112.11 1wk0 n SER 111 Ca 0.00 -0.75 -0.28 0.00 -0.26 0.00 0.00 58.87 57.58 1wk0 n SER 111 Cb 0.43 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 64.02 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 -3.89 -3.34 -3.78 4.33 -0.58 -1.26 -4.73 120.64 107.38 1wk0 n GLU 112 Ca 0.09 -0.97 -0.36 0.00 -0.42 0.00 0.00 57.16 55.50 1wk0 n GLU 112 Cb 0.36 -1.90 -0.10 0.00 -0.57 0.00 0.00 31.44 29.24 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wk0 s ALA 113 N -2.21 3.49 -0.26 0.62 0.00 -1.26 -4.48 121.76 117.66 1wk0 s ALA 113 Ca 0.62 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1wk0 s ALA 113 Cb -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1wk0 s ALA 113 CO 0.58 -0.11 0.01 -2.00 0.00 0.00 0.00 175.76 174.23 1wk0 s GLU 114 N 0.91 3.18 0.08 0.00 -6.30 0.72 -4.79 118.70 112.49 1wk0 s GLU 114 Ca 0.06 -0.77 -0.20 0.00 -2.50 0.00 0.00 54.97 51.56 1wk0 s GLU 114 Cb -0.13 -3.16 -0.07 0.00 0.00 0.00 0.00 34.13 30.77 1wk0 s GLU 114 CO 0.03 -0.33 0.58 -1.50 0.02 0.00 0.00 175.26 174.07 1wk0 s ILE 115 N 1.46 4.72 -0.15 -3.70 2.07 -1.26 -0.37 121.20 123.98 1wk0 s ILE 115 Ca 0.03 1.25 -0.07 0.00 -1.41 0.00 0.00 60.65 60.45 1wk0 s ILE 115 Cb -0.16 -3.92 0.06 0.00 0.13 0.00 0.00 42.46 38.57 1wk0 s ILE 115 CO -0.01 0.55 0.35 0.72 -1.91 0.00 0.00 174.94 174.64 1wk0 s PHE 116 N -1.07 -0.53 -0.09 3.50 -0.71 -0.85 -4.92 117.98 113.32 1wk0 s PHE 116 Ca 0.30 1.14 -0.20 0.00 -1.04 0.00 0.00 56.93 57.12 1wk0 s PHE 116 Cb -0.20 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1wk0 s PHE 116 CO 0.19 -0.32 0.54 0.99 -1.34 0.00 0.00 175.22 175.28 1wk0 s THR 117 N 1.55 5.11 0.32 -4.49 2.01 -1.26 -3.57 115.64 115.32 1wk0 s THR 117 Ca -0.08 1.10 0.01 0.00 0.31 0.00 0.00 61.69 63.03 1wk0 s THR 117 Cb -0.10 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1wk0 s THR 117 CO -0.11 0.33 0.52 0.42 -0.69 0.00 0.00 174.62 175.09 1wk0 s THR 118 N 0.51 5.12 0.71 -0.82 -4.23 -0.71 -4.94 115.64 111.28 1wk0 s THR 118 Ca 0.29 -0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.27 1wk0 s THR 118 Cb -0.16 -3.85 0.09 0.00 1.34 0.00 0.00 72.50 69.92 1wk0 s THR 118 CO 0.13 -0.50 1.00 -1.48 -0.54 0.00 0.00 174.62 173.23 1wk0 s LEU 119 N -4.18 2.94 0.19 4.79 2.34 -1.23 -2.64 118.68 120.89 1wk0 s LEU 119 Ca 0.39 0.13 -0.05 0.00 0.06 0.00 0.00 54.13 54.67 1wk0 s LEU 119 Cb -0.10 -2.68 -0.05 0.00 -0.56 0.00 0.00 46.19 42.79 1wk0 s LEU 119 CO 0.35 -1.70 0.43 -0.94 -1.06 0.00 0.00 176.35 173.42 1wk0 s SER 120 N -4.60 6.48 0.51 1.48 1.04 -1.26 -1.74 113.70 115.62 1wk0 s SER 120 Ca 0.63 0.62 0.47 0.00 0.48 0.00 0.00 55.95 58.14 1wk0 s SER 120 Cb -0.08 -2.10 1.60 0.00 0.10 0.00 0.00 66.02 65.53 1wk0 s SER 120 CO 0.44 -0.03 1.44 0.00 0.98 0.00 0.00 173.24 176.07 1wk0 s GLU 122 N -4.70 3.80 -0.26 0.00 0.41 -1.26 -5.02 118.70 111.66 1wk0 s GLU 122 Ca -0.05 0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 54.52 1wk0 s GLU 122 Cb 0.25 -2.61 -0.02 0.00 -1.78 0.00 0.00 34.13 29.97 1wk0 s GLU 122 CO 0.82 0.27 1.64 -1.25 -0.49 0.00 0.00 175.26 176.25 1wk0 s PRO 123 N -2.97 3.66 0.00 0.39 0.04 -1.26 -4.79 135.00 130.08 1wk0 s PRO 123 Ca 0.48 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1wk0 s PRO 123 Cb -0.11 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1wk0 s PRO 123 CO 0.22 -1.46 0.00 -0.25 0.04 0.00 0.00 177.00 175.56 1wk0 n ASP 124 N 8.93 0.00 -4.45 6.66 9.92 -1.26 -5.06 116.55 131.28 1wk0 n ASP 124 Ca 0.20 0.00 -0.62 0.00 -0.53 0.00 0.00 54.79 53.83 1wk0 n ASP 124 Cb 0.46 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.85 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 -2.50 0.00 0.97 0.53 2.08 -1.26 -4.75 119.36 114.43 1wk0 n ILE 125 Ca 0.00 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.37 1wk0 n ILE 125 Cb 0.00 -0.35 0.33 0.00 -0.75 0.00 0.00 39.64 38.87 1wk0 n ILE 125 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1wk0 n PRO 126 N 3.15 0.49 -2.45 0.38 -0.04 -1.26 -4.71 135.00 130.56 1wk0 n PRO 126 Ca 0.27 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.30 1wk0 n PRO 126 Cb -0.02 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 1wk0 n PRO 126 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1wk0 s ASN 127 N -1.86 6.59 0.48 3.54 3.84 -1.26 -5.00 114.94 121.27 1wk0 s ASN 127 Ca 0.17 0.96 -0.22 0.00 0.21 0.00 0.00 52.86 53.98 1wk0 s ASN 127 Cb 0.08 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 38.16 1wk0 s ASN 127 CO 0.13 -1.19 1.16 -2.16 -2.79 0.00 0.00 177.10 172.24 1wk0 s PRO 128 N 4.39 3.65 0.00 0.43 0.04 -1.26 -5.05 135.00 137.20 1wk0 s PRO 128 Ca 0.55 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1wk0 s PRO 128 Cb -0.14 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1wk0 s PRO 128 CO 0.27 -0.63 0.00 -0.35 0.04 0.00 0.00 177.00 176.32 1wk0 n PRO 129 N -0.70 -0.09 -4.23 0.56 -0.04 -1.26 -5.09 135.00 124.16 1wk0 n PRO 129 Ca 0.08 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 1wk0 n PRO 129 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 1wk0 n PRO 129 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1wk0 s ARG 130 N -1.61 0.97 -0.41 0.54 1.70 -1.26 -5.08 118.95 113.81 1wk0 s ARG 130 Ca 0.00 -1.15 -0.41 0.00 -0.47 0.00 0.00 55.73 53.71 1wk0 s ARG 130 Cb 0.00 -0.93 -0.18 0.00 -0.57 0.00 0.00 34.95 33.27 1wk0 s ARG 130 CO 0.00 0.19 1.37 -0.89 -1.08 0.00 0.00 175.30 174.90 1wk0 n ILE 131 N 0.82 0.00 -3.53 4.99 5.41 -1.26 -4.91 119.36 120.88 1wk0 n ILE 131 Ca -0.18 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.43 1wk0 n ILE 131 Cb 0.56 -0.41 -0.05 0.00 -0.71 0.00 0.00 39.64 39.03 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1wk0 s SER 132 N 2.46 -0.55 -0.51 4.38 0.01 -1.26 -5.13 113.70 113.11 1wk0 s SER 132 Ca 0.91 0.53 -0.01 0.00 1.31 0.00 0.00 55.95 58.69 1wk0 s SER 132 Cb -1.30 0.46 0.13 0.00 0.21 0.00 0.00 66.02 65.52 1wk0 s SER 132 CO 0.71 -0.56 0.30 -0.83 0.41 0.00 0.00 173.24 173.27 1wk0 s GLY 133 N -1.36 2.27 0.82 3.44 0.00 -1.26 -5.09 107.32 106.13 1wk0 s GLY 133 Ca -0.06 -2.95 -0.11 0.00 0.00 0.00 0.00 44.72 41.60 1wk0 s GLY 133 CO 0.05 1.05 1.09 2.56 0.00 0.00 0.00 173.10 177.85 1wk0 s PRO 134 N 0.41 1.88 0.36 2.90 0.04 -1.26 -5.00 135.00 134.33 1wk0 s PRO 134 Ca 0.13 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 1wk0 s PRO 134 Cb -0.22 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1wk0 s PRO 134 CO -0.04 -1.87 1.12 -1.54 0.04 0.00 0.00 177.00 174.72 1wk0 s SER 135 N -3.41 6.81 1.03 6.66 1.04 -1.26 -5.04 113.70 119.53 1wk0 s SER 135 Ca 0.62 2.25 -0.13 0.00 0.48 0.00 0.00 55.95 59.18 1wk0 s SER 135 Cb -0.17 -2.61 0.17 0.00 0.10 0.00 0.00 66.02 63.51 1wk0 s SER 135 CO 0.56 -0.47 0.94 -0.24 0.98 0.00 0.00 173.24 175.01 1wk0 n SER 136 N 0.38 -0.25 0.00 7.02 2.88 -1.26 -5.34 113.62 117.05 1wk0 n SER 136 Ca 0.03 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 1wk0 n SER 136 Cb 0.47 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1wk0 n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42