#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 6.20 0.34 1.61 0.15 -1.26 -4.98 113.70 115.76 1wk0 s SER 2 Ca 0.00 -1.08 -0.10 0.00 0.70 0.00 0.00 55.95 55.48 1wk0 s SER 2 Cb 0.00 -2.37 0.02 0.00 -1.71 0.00 0.00 66.02 61.96 1wk0 s SER 2 CO 0.00 -1.26 0.60 -0.44 1.20 0.00 0.00 173.24 173.35 1wk0 s SER 3 N 3.49 0.37 0.00 5.45 0.01 -1.26 -5.17 113.70 116.59 1wk0 s SER 3 Ca 0.18 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.22 1wk0 s SER 3 Cb -0.19 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1wk0 s SER 3 CO 0.10 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 172.94 1wk0 n GLY 4 N -0.52 1.00 3.47 3.44 0.00 -1.26 -5.15 105.19 106.17 1wk0 n GLY 4 Ca -0.03 0.56 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 1wk0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wk0 n SER 5 N 0.00 -1.11 -0.08 1.61 3.41 -1.26 -4.96 113.62 111.23 1wk0 n SER 5 Ca 0.00 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 59.06 1wk0 n SER 5 Cb 0.00 -1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 62.65 1wk0 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wk0 n SER 6 N -0.39 2.20 0.00 4.04 3.41 -1.26 -5.14 113.62 116.48 1wk0 n SER 6 Ca 0.10 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1wk0 n SER 6 Cb 0.50 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 2.44 1.87 0.07 5.00 0.00 -1.26 -5.00 105.19 108.30 1wk0 n GLY 7 Ca -0.31 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1wk0 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk0 n ASP 8 N -0.03 2.81 -0.33 1.61 9.92 -1.26 -4.59 116.55 124.67 1wk0 n ASP 8 Ca 0.00 -0.06 0.19 0.00 -0.53 0.00 0.00 54.79 54.39 1wk0 n ASP 8 Cb 0.00 -0.03 0.37 0.00 -0.64 0.00 0.00 41.12 40.82 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wk0 h GLU 9 N 0.00 0.03 -0.01 -1.24 4.39 -2.00 0.46 114.58 116.20 1wk0 h GLU 9 Ca -0.31 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.40 1wk0 h GLU 9 Cb 1.52 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.15 1wk0 h GLU 9 CO -0.04 0.02 -0.04 0.93 -1.16 0.00 0.00 179.01 178.73 1wk0 h GLU 10 N 0.03 -0.06 -0.88 2.33 5.08 -1.95 -2.55 114.58 116.58 1wk0 h GLU 10 Ca 0.66 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 59.13 1wk0 h GLU 10 Cb 1.48 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.66 1wk0 h GLU 10 CO -0.85 -0.04 0.52 1.15 -1.00 0.00 0.00 179.01 178.78 1wk0 h THR 11 N -0.06 0.88 -0.52 1.13 2.02 -0.37 -1.76 112.91 114.24 1wk0 h THR 11 Ca 0.02 -0.28 0.10 0.00 0.77 0.00 0.00 66.41 67.02 1wk0 h THR 11 Cb 0.09 -0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 66.40 1wk0 h THR 11 CO -0.05 0.15 0.05 0.11 0.37 0.00 0.00 175.52 176.15 1wk0 h LYS 12 N 0.83 0.16 -0.41 6.66 1.79 -0.89 0.91 116.57 125.63 1wk0 h LYS 12 Ca 0.44 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.92 1wk0 h LYS 12 Cb 0.45 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1wk0 h LYS 12 CO -0.27 0.11 0.27 0.00 -1.08 0.00 0.00 179.45 178.48 1wk0 h ALA 13 N 1.44 1.81 -0.03 3.86 0.00 -1.18 -1.25 119.26 123.92 1wk0 h ALA 13 Ca 0.26 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1wk0 h ALA 13 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wk0 h ALA 13 CO -0.40 0.15 -0.72 0.74 0.00 0.00 0.00 179.25 179.02 1wk0 h PHE 14 N 0.46 0.22 0.00 0.00 0.04 -0.69 0.25 116.94 117.23 1wk0 h PHE 14 Ca 0.16 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 1wk0 h PHE 14 Cb 0.08 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1wk0 h PHE 14 CO -0.00 0.82 -0.48 0.93 -0.60 0.00 0.00 178.31 178.98 1wk0 h GLU 15 N 0.11 0.00 0.08 1.51 5.08 0.09 -0.60 114.58 120.85 1wk0 h GLU 15 Ca -0.02 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.97 1wk0 h GLU 15 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1wk0 h GLU 15 CO 0.11 0.48 -2.12 0.00 -1.00 0.00 0.00 179.01 176.48 1wk0 n ALA 16 N -2.42 1.08 0.21 3.43 0.00 -0.86 -3.96 120.51 117.99 1wk0 n ALA 16 Ca -0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.52 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 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 0.05 -0.49 -1.80 0.00 5.85 -0.53 -2.94 115.31 115.45 1wk0 h LEU 17 Ca -0.46 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.20 1wk0 h LEU 17 Cb 2.00 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 43.16 1wk0 h LEU 17 CO 0.04 -0.07 0.42 -0.07 -0.34 0.00 0.00 178.44 178.43 1wk0 h LEU 18 N -1.05 0.00 -3.58 2.25 3.38 -1.29 0.72 115.31 115.75 1wk0 h LEU 18 Ca -0.06 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 1wk0 h LEU 18 Cb 0.54 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 1wk0 h LEU 18 CO 0.10 0.00 0.18 -0.24 0.09 0.00 0.00 178.44 178.57 1wk0 n SER 19 N -2.98 3.37 -0.28 -0.43 2.88 -1.14 -4.09 113.62 110.94 1wk0 n SER 19 Ca -0.00 -3.55 0.09 0.00 -1.33 0.00 0.00 58.87 54.08 1wk0 n SER 19 Cb 0.49 -0.70 0.17 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.90 2.53 -4.57 -3.46 2.85 0.25 -4.94 115.26 107.02 1wk0 n ASN 20 Ca 0.40 -3.18 -0.25 0.00 -0.11 0.00 0.00 54.58 51.44 1wk0 n ASN 20 Cb 1.25 -0.46 0.12 0.00 1.24 0.00 0.00 39.78 41.93 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 -2.92 2.13 -0.08 -1.44 -0.00 -1.26 -2.87 121.20 114.75 1wk0 s ILE 21 Ca 0.35 -0.40 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 1wk0 s ILE 21 Cb 0.30 -2.73 -0.03 0.00 -0.00 0.00 0.00 42.46 40.00 1wk0 s ILE 21 CO 0.03 0.00 -0.07 -0.69 -0.00 0.00 0.00 174.94 174.21 1wk0 s VAL 22 N -3.34 3.71 0.33 8.37 1.01 -1.26 -4.88 120.40 124.34 1wk0 s VAL 22 Ca 0.67 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1wk0 s VAL 22 Cb -0.06 -2.54 -0.13 0.00 0.00 0.00 0.00 36.38 33.65 1wk0 s VAL 22 CO 0.46 0.58 0.87 2.29 0.00 0.00 0.00 175.10 179.31 1wk0 n LYS 23 N 2.48 1.07 -2.18 2.72 2.85 -1.26 -4.39 118.16 119.45 1wk0 n LYS 23 Ca -0.18 0.38 -0.35 0.00 -1.05 0.00 0.00 58.31 57.11 1wk0 n LYS 23 Cb 0.53 -1.73 0.01 0.00 -0.65 0.00 0.00 35.03 33.18 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 -1.60 3.27 -0.14 -1.58 0.04 -1.26 -4.83 135.00 128.91 1wk0 s PRO 24 Ca 0.61 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 1wk0 s PRO 24 Cb -0.68 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1wk0 s PRO 24 CO 0.59 -0.91 -0.09 0.08 0.04 0.00 0.00 177.00 176.71 1wk0 s VAL 25 N -1.86 3.45 -0.19 -0.36 1.01 -0.19 -4.63 120.40 117.64 1wk0 s VAL 25 Ca 0.72 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.92 1wk0 s VAL 25 Cb -0.23 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1wk0 s VAL 25 CO 0.29 0.52 0.85 0.00 0.00 0.00 0.00 175.10 176.76 1wk0 s ALA 26 N 0.27 3.56 0.29 5.51 0.00 -1.26 -1.41 121.76 128.72 1wk0 s ALA 26 Ca -0.06 0.01 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1wk0 s ALA 26 Cb -0.15 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1wk0 s ALA 26 CO 0.04 -0.76 -0.02 -1.12 0.00 0.00 0.00 175.76 173.91 1wk0 s SER 27 N 1.21 2.57 -1.32 0.00 0.01 0.15 -4.78 113.70 111.54 1wk0 s SER 27 Ca 0.38 -1.25 -0.15 0.00 1.31 0.00 0.00 55.95 56.24 1wk0 s SER 27 Cb -0.16 -0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.09 1wk0 s SER 27 CO 0.11 -0.44 0.37 -0.67 0.41 0.00 0.00 173.24 173.01 1wk0 n ASP 28 N -0.60 -1.04 -4.68 2.44 2.03 -1.26 -0.68 116.55 112.76 1wk0 n ASP 28 Ca -0.05 -0.90 -0.47 0.00 0.52 0.00 0.00 54.79 53.90 1wk0 n ASP 28 Cb 0.64 -1.14 -0.04 0.00 -0.72 0.00 0.00 41.12 39.86 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wk0 n ILE 29 N -3.12 0.51 -3.84 5.18 5.41 -1.26 -4.20 119.36 118.03 1wk0 n ILE 29 Ca 0.04 -0.09 -0.13 0.00 1.00 0.00 0.00 62.75 63.57 1wk0 n ILE 29 Cb 0.35 -1.88 -0.01 0.00 -0.71 0.00 0.00 39.64 37.38 1wk0 n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wk0 n GLN 30 N 6.21 1.17 -0.04 0.38 6.02 0.22 -4.73 117.38 126.61 1wk0 n GLN 30 Ca 0.21 -1.70 -0.02 0.00 -0.01 0.00 0.00 57.00 55.48 1wk0 n GLN 30 Cb 0.31 0.25 -0.01 0.00 1.02 0.00 0.00 30.24 31.80 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk0 h ALA 31 N 0.81 -0.27 0.00 -1.58 0.00 -1.88 -3.28 119.26 113.06 1wk0 h ALA 31 Ca -0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1wk0 h ALA 31 Cb 0.62 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1wk0 h ALA 31 CO 0.28 -0.31 -1.33 0.54 0.00 0.00 0.00 179.25 178.43 1wk0 n ARG 32 N -3.18 1.83 -3.42 0.00 1.74 -1.26 -3.87 116.66 108.49 1wk0 n ARG 32 Ca -0.00 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 1wk0 n ARG 32 Cb 0.05 -1.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.25 5.07 0.17 0.55 -4.23 -1.26 -3.71 115.64 109.98 1wk0 s THR 33 Ca -0.02 -0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.20 1wk0 s THR 33 Cb 0.03 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1wk0 s THR 33 CO 0.23 -0.31 0.52 0.68 -0.54 0.00 0.00 174.62 175.20 1wk0 s VAL 34 N -2.06 0.03 -0.46 2.29 -7.23 -1.17 0.70 120.40 112.49 1wk0 s VAL 34 Ca 0.42 -0.48 -0.08 0.00 -1.81 0.00 0.00 61.98 60.03 1wk0 s VAL 34 Cb -0.11 -1.29 0.12 0.00 0.56 0.00 0.00 36.38 35.66 1wk0 s VAL 34 CO 0.30 -0.13 0.32 -0.69 -0.31 0.00 0.00 175.10 174.59 1wk0 s VAL 35 N -3.82 4.03 -0.24 1.32 1.01 0.14 -1.78 120.40 121.07 1wk0 s VAL 35 Ca 0.05 -1.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.00 1wk0 s VAL 35 Cb -0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1wk0 s VAL 35 CO -0.08 -0.76 0.47 -0.22 0.00 0.00 0.00 175.10 174.50 1wk0 s LEU 36 N 1.29 4.09 -0.13 3.92 2.96 -0.48 0.33 118.68 130.67 1wk0 s LEU 36 Ca 0.06 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 1wk0 s LEU 36 Cb -0.25 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.85 1wk0 s LEU 36 CO -0.02 -0.20 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.75 1wk0 s THR 37 N 1.91 1.72 0.06 3.68 2.01 -0.50 -1.95 115.64 122.56 1wk0 s THR 37 Ca 0.20 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1wk0 s THR 37 Cb -0.15 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1wk0 s THR 37 CO 0.09 0.48 -0.06 -1.66 -0.69 0.00 0.00 174.62 172.79 1wk0 s TRP 38 N 1.05 0.63 0.20 4.92 -2.14 -1.26 -1.02 118.94 121.32 1wk0 s TRP 38 Ca -0.04 -0.73 0.04 0.00 2.66 0.00 0.00 56.10 58.03 1wk0 s TRP 38 Cb -0.15 -0.39 -0.03 0.00 -3.10 0.00 0.00 33.47 29.80 1wk0 s TRP 38 CO -0.04 -0.18 0.29 -1.12 -2.66 0.00 0.00 176.95 173.24 1wk0 s SER 39 N -2.23 6.17 0.94 -2.66 0.01 -1.26 -4.63 113.70 110.05 1wk0 s SER 39 Ca -0.02 0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.18 1wk0 s SER 39 Cb -0.02 -1.80 0.16 0.00 0.21 0.00 0.00 66.02 64.57 1wk0 s SER 39 CO -0.03 -0.01 1.09 -2.16 0.41 0.00 0.00 173.24 172.54 1wk0 s PRO 40 N -3.59 0.88 0.80 12.44 0.04 -1.26 -3.99 135.00 140.32 1wk0 s PRO 40 Ca 0.34 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1wk0 s PRO 40 Cb -0.10 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1wk0 s PRO 40 CO 0.28 -2.46 1.09 -1.25 0.04 0.00 0.00 177.00 174.70 1wk0 s PRO 41 N -4.95 2.07 -0.30 0.56 0.04 -1.26 -4.57 135.00 126.60 1wk0 s PRO 41 Ca 0.64 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.71 1wk0 s PRO 41 Cb -0.18 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wk0 s PRO 41 CO 0.57 -1.75 0.10 -1.12 0.04 0.00 0.00 177.00 174.84 1wk0 s SER 42 N -3.40 5.24 -0.15 6.66 0.01 -1.14 -4.92 113.70 116.00 1wk0 s SER 42 Ca 0.62 -0.62 -0.29 0.00 1.31 0.00 0.00 55.95 56.96 1wk0 s SER 42 Cb -0.17 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1wk0 s SER 42 CO 0.56 -0.18 1.65 -0.94 0.41 0.00 0.00 173.24 174.74 1wk0 s SER 43 N 1.54 6.46 -0.10 2.44 1.04 -1.26 -4.86 113.70 118.96 1wk0 s SER 43 Ca 0.03 1.88 0.06 0.00 0.48 0.00 0.00 55.95 58.41 1wk0 s SER 43 Cb -0.17 -2.53 0.35 0.00 0.10 0.00 0.00 66.02 63.77 1wk0 s SER 43 CO 0.04 -1.15 1.03 0.18 0.98 0.00 0.00 173.24 174.31 1wk0 n LEU 44 N 8.04 3.00 0.00 2.42 4.77 -1.26 -4.16 117.00 129.82 1wk0 n LEU 44 Ca 0.19 -1.52 0.08 0.00 -0.03 0.00 0.00 56.01 54.73 1wk0 n LEU 44 Cb 0.44 -0.58 0.50 0.00 -2.33 0.00 0.00 43.42 41.46 1wk0 n LEU 44 CO 0.64 0.41 0.71 -0.38 -1.33 0.00 0.00 177.39 177.43 1wk0 n ILE 45 N 0.26 0.00 -2.09 -0.08 5.41 -1.26 -4.82 119.36 116.78 1wk0 n ILE 45 Ca 0.12 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.68 1wk0 n ILE 45 Cb 0.65 -0.65 -0.03 0.00 -0.71 0.00 0.00 39.64 38.89 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 -0.95 -5.42 0.00 4.38 3.02 -1.26 -1.46 115.26 113.57 1wk0 n ASN 46 Ca 0.13 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1wk0 n ASN 46 Cb 0.06 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 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 -0.89 0.35 0.41 7.41 0.00 -1.26 -4.80 105.19 106.41 1wk0 n GLY 47 Ca -0.21 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 1.03 0.00 -6.02 1.61 4.81 -1.66 -3.41 114.58 110.95 1wk0 h GLU 48 Ca 0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 1wk0 h GLU 48 Cb 0.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1wk0 h GLU 48 CO 0.00 0.00 -0.43 -0.08 -0.73 0.00 0.00 179.01 177.77 1wk0 s THR 49 N -4.89 5.31 0.53 0.32 -1.32 -1.26 -5.05 115.64 109.27 1wk0 s THR 49 Ca -0.05 -0.32 -0.18 0.00 -1.21 0.00 0.00 61.69 59.93 1wk0 s THR 49 Cb 0.19 -3.65 -0.14 0.00 -1.51 0.00 0.00 72.50 67.39 1wk0 s THR 49 CO 0.70 0.06 -0.01 -0.67 -2.21 0.00 0.00 174.62 172.49 1wk0 n ASP 50 N 0.05 -3.18 0.10 8.08 2.03 -1.26 -4.87 116.55 117.50 1wk0 n ASP 50 Ca -0.05 0.66 -0.04 0.00 0.52 0.00 0.00 54.79 55.88 1wk0 n ASP 50 Cb 0.52 -0.91 0.04 0.00 -0.72 0.00 0.00 41.12 40.04 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wk0 h GLU 51 N 0.01 0.04 -1.11 -0.67 4.39 -1.97 -3.17 114.58 112.11 1wk0 h GLU 51 Ca -0.42 -0.04 -0.41 0.00 0.34 0.00 0.00 59.36 58.83 1wk0 h GLU 51 Cb 1.44 0.01 -0.21 0.00 -0.10 0.00 0.00 28.75 29.88 1wk0 h GLU 51 CO 0.42 0.81 0.53 0.45 -1.16 0.00 0.00 179.01 180.06 1wk0 n SER 52 N -3.63 4.83 -0.07 1.42 2.88 -1.26 -4.30 113.62 113.49 1wk0 n SER 52 Ca -0.01 -3.24 -0.12 0.00 -1.33 0.00 0.00 58.87 54.18 1wk0 n SER 52 Cb 0.76 -0.85 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wk0 n SER 53 N -0.50 1.66 -4.67 -3.46 2.88 -1.20 -4.97 113.62 103.36 1wk0 n SER 53 Ca 0.43 0.28 -0.49 0.00 -1.33 0.00 0.00 58.87 57.76 1wk0 n SER 53 Cb 1.07 -0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 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 -4.14 0.35 -1.19 2.46 0.24 -1.26 -4.95 118.33 109.84 1wk0 n VAL 54 Ca -0.20 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.34 61.75 1wk0 n VAL 54 Cb 0.51 -1.65 0.16 0.00 -1.47 0.00 0.00 33.84 31.39 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 2.85 0.87 -0.08 7.34 0.04 -1.26 -5.00 135.00 139.76 1wk0 s PRO 55 Ca 0.89 0.68 0.15 0.00 0.04 0.00 0.00 61.00 62.75 1wk0 s PRO 55 Cb -0.74 -1.78 0.30 0.00 0.04 0.00 0.00 34.50 32.32 1wk0 s PRO 55 CO 0.49 -2.47 1.14 -0.85 0.04 0.00 0.00 177.00 175.35 1wk0 n GLU 56 N -4.02 0.66 -0.31 4.56 0.28 -1.26 -4.73 120.64 115.82 1wk0 n GLU 56 Ca 0.06 -2.22 0.07 0.00 -0.16 0.00 0.00 57.16 54.92 1wk0 n GLU 56 Cb 0.56 -0.83 0.20 0.00 1.43 0.00 0.00 31.44 32.81 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 -0.41 3.39 -4.41 -1.84 7.99 -1.26 -4.92 117.00 115.54 1wk0 n LEU 57 Ca 0.10 -2.60 -0.49 0.00 -0.01 0.00 0.00 56.01 53.01 1wk0 n LEU 57 Cb 0.83 -0.40 -0.11 0.00 -0.11 0.00 0.00 43.42 43.62 1wk0 n LEU 57 CO -0.02 0.69 1.95 -1.22 -1.51 0.00 0.00 177.39 177.28 1wk0 n TYR 58 N -0.17 1.08 -1.50 -1.77 4.01 -1.26 -4.70 117.16 112.84 1wk0 n TYR 58 Ca 0.17 0.46 -0.44 0.00 -0.16 0.00 0.00 57.90 57.93 1wk0 n TYR 58 Cb 0.68 -2.41 -0.07 0.00 -0.31 0.00 0.00 39.34 37.24 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 6.80 0.28 3.48 2.72 0.00 0.68 -4.57 105.19 114.58 1wk0 n GLY 59 Ca 0.54 0.87 -0.43 0.00 0.00 0.00 0.00 46.02 47.00 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 9.25 3.17 -0.17 1.61 2.02 -0.20 -0.68 117.35 132.35 1wk0 s TYR 60 Ca 1.10 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 57.36 1wk0 s TYR 60 Cb -0.66 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 1wk0 s TYR 60 CO 0.40 -0.71 0.00 -2.00 -1.57 0.00 0.00 175.55 171.68 1wk0 s GLU 61 N 2.14 3.79 -0.05 -0.62 2.12 -0.33 -2.50 118.70 123.26 1wk0 s GLU 61 Ca 0.12 -0.45 -0.21 0.00 0.36 0.00 0.00 54.97 54.78 1wk0 s GLU 61 Cb -0.17 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1wk0 s GLU 61 CO 0.14 0.24 0.62 0.08 -0.54 0.00 0.00 175.26 175.80 1wk0 s VAL 62 N 0.40 5.01 -0.22 3.70 1.01 0.76 -1.51 120.40 129.55 1wk0 s VAL 62 Ca -0.01 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.28 1wk0 s VAL 62 Cb -0.14 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.33 1wk0 s VAL 62 CO 0.02 0.33 -0.11 -0.76 0.00 0.00 0.00 175.10 174.58 1wk0 s LEU 63 N 0.37 2.66 0.16 3.92 1.43 -0.04 -2.57 118.68 124.61 1wk0 s LEU 63 Ca 0.33 -1.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1wk0 s LEU 63 Cb -0.18 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1wk0 s LEU 63 CO 0.17 -0.16 0.01 0.27 0.23 0.00 0.00 176.35 176.87 1wk0 s ILE 64 N 1.30 3.86 -0.30 -0.59 -4.36 -0.82 -1.86 121.20 118.43 1wk0 s ILE 64 Ca -0.04 -1.30 -0.14 0.00 -0.26 0.00 0.00 60.65 58.91 1wk0 s ILE 64 Cb -0.17 -2.93 0.14 0.00 1.25 0.00 0.00 42.46 40.75 1wk0 s ILE 64 CO -0.07 -0.07 0.82 -0.55 0.24 0.00 0.00 174.94 175.31 1wk0 s SER 65 N -2.84 -0.82 -0.01 4.36 0.15 -1.11 -2.14 113.70 111.29 1wk0 s SER 65 Ca 0.27 1.18 0.22 0.00 0.70 0.00 0.00 55.95 58.32 1wk0 s SER 65 Cb -0.10 1.77 -0.27 0.00 -1.71 0.00 0.00 66.02 65.71 1wk0 s SER 65 CO 0.19 -0.17 0.64 -0.24 1.20 0.00 0.00 173.24 174.86 1wk0 n SER 66 N 4.84 0.32 -0.24 5.45 2.88 -1.26 -3.14 113.62 122.47 1wk0 n SER 66 Ca -0.13 -0.26 -0.07 0.00 -1.33 0.00 0.00 58.87 57.08 1wk0 n SER 66 Cb 0.53 1.61 0.04 0.00 -0.75 0.00 0.00 64.21 65.64 1wk0 n SER 66 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1wk0 h THR 67 N 0.00 1.24 -1.19 2.46 2.02 -1.92 -3.47 112.91 112.06 1wk0 h THR 67 Ca 0.00 -0.77 0.19 0.00 0.77 0.00 0.00 66.41 66.60 1wk0 h THR 67 Cb 0.86 0.50 -0.28 0.00 -1.74 0.00 0.00 68.15 67.48 1wk0 h THR 67 CO 0.00 0.30 0.83 -0.83 0.37 0.00 0.00 175.52 176.19 1wk0 s GLY 68 N -3.23 0.08 0.38 2.16 0.00 -1.26 -5.00 107.32 100.46 1wk0 s GLY 68 Ca -0.13 2.87 0.14 0.00 0.00 0.00 0.00 44.72 47.61 1wk0 s GLY 68 CO 0.81 1.37 1.84 1.70 0.00 0.00 0.00 173.10 178.83 1wk0 h LYS 69 N 2.59 0.00 -1.02 2.90 3.64 -1.90 -3.01 116.57 119.78 1wk0 h LYS 69 Ca -0.16 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.62 1wk0 h LYS 69 Cb 1.18 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.61 1wk0 h LYS 69 CO 0.22 0.35 -0.36 -3.47 -2.27 0.00 0.00 179.45 173.92 1wk0 n ASP 70 N -4.04 5.59 0.00 4.20 -0.08 -1.26 -5.00 116.55 115.96 1wk0 n ASP 70 Ca -0.02 -3.76 0.00 0.00 -1.51 0.00 0.00 54.79 49.50 1wk0 n ASP 70 Cb 0.40 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.33 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 -0.70 5.31 3.71 0.27 0.00 -1.14 -5.11 105.19 107.53 1wk0 n GLY 71 Ca 0.47 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 1.92 4.53 0.35 1.61 2.47 -1.26 -5.00 119.74 124.35 1wk0 s LYS 72 Ca 0.00 1.33 0.08 0.00 -1.56 0.00 0.00 55.97 55.82 1wk0 s LYS 72 Cb 0.00 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.87 1wk0 s LYS 72 CO 0.00 -0.06 0.25 0.71 0.16 0.00 0.00 175.35 176.41 1wk0 s TYR 73 N 1.06 2.81 0.10 4.03 1.51 -1.26 -4.82 117.35 120.78 1wk0 s TYR 73 Ca 0.49 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 1wk0 s TYR 73 Cb -0.20 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1wk0 s TYR 73 CO 0.26 0.20 -0.11 -1.59 -1.11 0.00 0.00 175.55 173.19 1wk0 s LYS 74 N -3.96 0.90 0.21 -0.62 -2.85 -0.91 -4.98 119.74 107.53 1wk0 s LYS 74 Ca 0.41 -1.18 -0.11 0.00 -1.00 0.00 0.00 55.97 54.08 1wk0 s LYS 74 Cb -0.04 -0.63 -0.07 0.00 -2.06 0.00 0.00 37.83 35.03 1wk0 s LYS 74 CO 0.25 0.10 0.55 -1.12 0.10 0.00 0.00 175.35 175.24 1wk0 s SER 75 N -2.46 6.68 0.00 0.03 0.01 -1.26 -1.95 113.70 114.75 1wk0 s SER 75 Ca 0.06 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1wk0 s SER 75 Cb -0.03 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1wk0 s SER 75 CO 0.01 -0.03 0.00 1.33 0.41 0.00 0.00 173.24 174.96 1wk0 n VAL 76 N 0.11 0.00 -3.66 3.43 0.24 -1.06 -4.96 118.33 112.43 1wk0 n VAL 76 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1wk0 n VAL 76 Cb 0.52 -0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 32.53 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 -1.39 -0.72 -0.23 6.34 6.14 -1.26 -4.96 117.35 121.27 1wk0 s TYR 77 Ca 0.00 1.74 -0.04 0.00 0.64 0.00 0.00 57.07 59.41 1wk0 s TYR 77 Cb 0.00 0.26 0.12 0.00 0.42 0.00 0.00 41.96 42.76 1wk0 s TYR 77 CO 0.00 -0.35 0.35 0.54 0.64 0.00 0.00 175.55 176.73 1wk0 s VAL 78 N 0.43 -0.56 0.00 3.14 0.11 -1.26 -0.17 120.40 122.09 1wk0 s VAL 78 Ca -0.01 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1wk0 s VAL 78 Cb -0.05 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1wk0 s VAL 78 CO -0.00 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1wk0 n GLY 79 N 5.36 5.16 0.03 6.54 0.00 -1.04 -4.91 105.19 116.32 1wk0 n GLY 79 Ca -0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 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 3.03 -1.80 1.61 4.71 -1.26 -1.04 120.64 125.88 1wk0 n GLU 80 Ca 0.00 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 1wk0 n GLU 80 Cb 0.00 -1.14 0.01 0.00 -1.01 0.00 0.00 31.44 29.30 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 -2.13 3.85 -0.02 3.49 8.01 -1.26 -4.74 118.70 125.90 1wk0 s GLU 81 Ca -0.03 2.48 -0.19 0.00 0.01 0.00 0.00 54.97 57.23 1wk0 s GLU 81 Cb 0.02 -2.78 -0.11 0.00 -4.31 0.00 0.00 34.13 26.94 1wk0 s GLU 81 CO 0.22 -0.70 0.82 1.79 0.01 0.00 0.00 175.26 177.39 1wk0 h THR 82 N 2.56 0.16 -3.36 3.63 1.35 -1.95 -3.44 112.91 111.86 1wk0 h THR 82 Ca -0.51 -0.59 -0.56 0.00 -0.55 0.00 0.00 66.41 64.20 1wk0 h THR 82 Cb 1.26 0.25 -0.05 0.00 -1.73 0.00 0.00 68.15 67.87 1wk0 h THR 82 CO 0.62 0.03 0.06 0.21 -0.25 0.00 0.00 175.52 176.19 1wk0 s ASN 83 N -4.89 7.01 0.11 5.36 3.84 -1.26 -4.13 114.94 120.98 1wk0 s ASN 83 Ca -0.10 1.21 -0.10 0.00 0.21 0.00 0.00 52.86 54.07 1wk0 s ASN 83 Cb 0.01 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 1wk0 s ASN 83 CO 0.33 -0.01 0.24 0.27 -2.79 0.00 0.00 177.10 175.14 1wk0 s ILE 84 N 0.30 0.12 -0.17 -5.21 -5.25 -0.82 -5.04 121.20 105.13 1wk0 s ILE 84 Ca 0.35 -1.13 -0.03 0.00 -0.99 0.00 0.00 60.65 58.85 1wk0 s ILE 84 Cb -0.18 -1.42 -0.02 0.00 2.95 0.00 0.00 42.46 43.79 1wk0 s ILE 84 CO 0.18 -0.53 -0.05 -0.89 -1.79 0.00 0.00 174.94 171.86 1wk0 s THR 85 N -3.87 3.61 0.52 8.37 2.01 -1.26 -1.38 115.64 123.65 1wk0 s THR 85 Ca 0.07 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1wk0 s THR 85 Cb 0.04 -2.59 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 1wk0 s THR 85 CO -0.09 0.47 0.98 -0.76 -0.69 0.00 0.00 174.62 174.54 1wk0 s LEU 86 N 0.69 3.59 0.24 4.42 1.43 -0.73 -4.89 118.68 123.44 1wk0 s LEU 86 Ca -0.03 1.53 -0.08 0.00 -1.03 0.00 0.00 54.13 54.53 1wk0 s LEU 86 Cb -0.15 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 1wk0 s LEU 86 CO 0.02 -0.61 0.36 0.20 0.23 0.00 0.00 176.35 176.56 1wk0 s ASN 87 N -3.19 0.07 -1.47 2.29 -0.87 -1.26 -3.05 114.94 107.45 1wk0 s ASN 87 Ca 0.58 -1.12 -0.11 0.00 -1.57 0.00 0.00 52.86 50.64 1wk0 s ASN 87 Cb -0.10 0.52 0.06 0.00 -0.02 0.00 0.00 41.25 41.72 1wk0 s ASN 87 CO 0.34 -1.05 0.96 -0.67 -2.57 0.00 0.00 177.10 174.10 1wk0 n ASP 88 N -0.42 -4.35 -4.53 -1.22 2.03 -1.26 -4.98 116.55 101.82 1wk0 n ASP 88 Ca -0.00 -0.76 -0.20 0.00 0.52 0.00 0.00 54.79 54.35 1wk0 n ASP 88 Cb 0.63 -4.06 0.09 0.00 -0.72 0.00 0.00 41.12 37.06 1wk0 n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wk0 n LEU 89 N -4.65 0.00 -4.34 -2.67 4.77 -1.24 -5.07 117.00 103.79 1wk0 n LEU 89 Ca -0.02 -2.13 -0.41 0.00 -0.03 0.00 0.00 56.01 53.41 1wk0 n LEU 89 Cb 0.56 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1wk0 n LEU 89 CO 0.73 -0.83 -0.09 -0.54 -1.33 0.00 0.00 177.39 175.33 1wk0 s LYS 90 N -4.69 2.77 0.60 3.23 3.01 -1.26 -4.83 119.74 118.57 1wk0 s LYS 90 Ca 0.59 -1.30 -0.17 0.00 -1.01 0.00 0.00 55.97 54.08 1wk0 s LYS 90 Cb -0.04 -3.85 -0.03 0.00 -1.01 0.00 0.00 37.83 32.90 1wk0 s LYS 90 CO 0.38 -0.88 1.12 -1.25 0.51 0.00 0.00 175.35 175.23 1wk0 s PRO 91 N 1.52 3.09 -1.40 -1.68 0.04 -1.25 -3.48 135.00 131.85 1wk0 s PRO 91 Ca 0.03 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1wk0 s PRO 91 Cb -0.22 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1wk0 s PRO 91 CO 0.05 -1.04 0.27 0.00 0.04 0.00 0.00 177.00 176.32 1wk0 n ALA 92 N -1.83 -0.67 -2.26 8.56 0.00 0.34 -4.82 120.51 119.82 1wk0 n ALA 92 Ca 0.11 0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 1wk0 n ALA 92 Cb 0.51 -2.69 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 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 -5.21 1.35 -0.05 0.00 0.00 -1.22 -4.97 119.30 109.19 1wk0 s MET 93 Ca 0.14 -1.73 0.00 0.00 0.00 0.00 0.00 55.69 54.10 1wk0 s MET 93 Cb -0.06 0.03 0.02 0.00 0.00 0.00 0.00 34.83 34.83 1wk0 s MET 93 CO 0.17 -0.37 -0.03 0.34 0.00 0.00 0.00 175.02 175.13 1wk0 s ASP 94 N -3.25 1.05 0.25 1.11 2.15 -1.26 -1.86 116.67 114.86 1wk0 s ASP 94 Ca 0.38 -0.11 -0.09 0.00 0.43 0.00 0.00 52.55 53.17 1wk0 s ASP 94 Cb 0.07 -0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 42.26 1wk0 s ASP 94 CO 0.14 -0.10 0.40 -0.72 -0.17 0.00 0.00 175.17 174.73 1wk0 s TYR 95 N 1.20 0.64 -0.03 -5.34 1.13 -1.25 -4.76 117.35 108.94 1wk0 s TYR 95 Ca -0.07 -0.95 -0.01 0.00 -1.41 0.00 0.00 57.07 54.63 1wk0 s TYR 95 Cb -0.14 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.68 1wk0 s TYR 95 CO -0.02 -0.94 0.05 -1.01 -2.51 0.00 0.00 175.55 171.12 1wk0 s HIS 96 N -3.90 3.23 0.04 -3.49 3.76 -1.19 -2.49 115.29 111.26 1wk0 s HIS 96 Ca 0.27 0.20 0.07 0.00 -0.15 0.00 0.00 55.06 55.45 1wk0 s HIS 96 Cb 0.01 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.93 1wk0 s HIS 96 CO 0.11 0.53 -0.20 0.00 -0.85 0.00 0.00 174.74 174.33 1wk0 s ALA 97 N -1.09 1.73 0.08 -1.40 0.00 -0.90 -2.75 121.76 117.43 1wk0 s ALA 97 Ca 0.20 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1wk0 s ALA 97 Cb -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1wk0 s ALA 97 CO 0.10 0.39 -0.06 0.15 0.00 0.00 0.00 175.76 176.34 1wk0 s LYS 98 N -1.15 0.72 -0.14 0.00 1.02 -0.78 -0.81 119.74 118.59 1wk0 s LYS 98 Ca 0.07 -1.20 0.01 0.00 0.02 0.00 0.00 55.97 54.87 1wk0 s LYS 98 Cb -0.09 -0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.13 1wk0 s LYS 98 CO 0.02 -0.03 -0.17 0.54 -0.92 0.00 0.00 175.35 174.78 1wk0 s VAL 99 N -3.31 1.76 -0.15 3.17 0.11 -1.26 -0.86 120.40 119.86 1wk0 s VAL 99 Ca 0.07 -0.77 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1wk0 s VAL 99 Cb 0.03 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 1wk0 s VAL 99 CO -0.05 0.49 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.60 1wk0 s GLN 100 N 1.17 3.67 -0.15 1.54 0.74 -0.57 -2.99 119.66 123.07 1wk0 s GLN 100 Ca -0.01 -0.51 -0.13 0.00 0.05 0.00 0.00 55.36 54.76 1wk0 s GLN 100 Cb -0.14 -2.93 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 1wk0 s GLN 100 CO -0.07 0.26 0.29 0.00 -0.55 0.00 0.00 175.29 175.22 1wk0 s ALA 101 N 0.31 3.62 -0.04 1.58 0.00 -1.24 -1.18 121.76 124.81 1wk0 s ALA 101 Ca -0.03 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1wk0 s ALA 101 Cb -0.14 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.63 1wk0 s ALA 101 CO 0.03 0.16 -0.08 -2.00 0.00 0.00 0.00 175.76 173.86 1wk0 s GLU 102 N 0.25 1.08 -0.04 0.00 -6.30 0.14 -3.43 118.70 110.40 1wk0 s GLU 102 Ca 0.17 -0.25 -0.07 0.00 -2.50 0.00 0.00 54.97 52.31 1wk0 s GLU 102 Cb -0.13 -0.98 0.01 0.00 0.00 0.00 0.00 34.13 33.03 1wk0 s GLU 102 CO 0.04 0.02 0.18 -0.47 0.02 0.00 0.00 175.26 175.05 1wk0 s TYR 103 N 0.56 -0.11 -1.35 5.30 6.14 -1.09 -0.23 117.35 126.59 1wk0 s TYR 103 Ca -0.09 0.23 -0.07 0.00 0.64 0.00 0.00 57.07 57.79 1wk0 s TYR 103 Cb -0.12 0.02 0.04 0.00 0.42 0.00 0.00 41.96 42.32 1wk0 s TYR 103 CO 0.01 -0.20 0.46 -1.71 0.64 0.00 0.00 175.55 174.75 1wk0 n ASN 104 N 2.24 -4.53 -1.48 4.32 5.15 -1.26 0.15 115.26 119.86 1wk0 n ASN 104 Ca -0.17 -0.28 -0.14 0.00 -0.60 0.00 0.00 54.58 53.39 1wk0 n ASN 104 Cb 0.57 -3.72 -0.02 0.00 -0.53 0.00 0.00 39.78 36.08 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 -2.30 -4.42 -4.17 1.20 7.64 -1.26 -4.98 113.62 105.33 1wk0 n SER 105 Ca -0.07 0.08 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 1wk0 n SER 105 Cb 0.58 -3.48 -0.12 0.00 -1.01 0.00 0.00 64.21 60.18 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 -2.66 3.36 -0.23 0.44 1.01 0.12 -5.08 121.20 118.17 1wk0 s ILE 106 Ca 0.00 -1.63 -0.22 0.00 0.00 0.00 0.00 60.65 58.80 1wk0 s ILE 106 Cb 0.00 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1wk0 s ILE 106 CO 0.00 -0.40 0.70 -0.54 0.00 0.00 0.00 174.94 174.69 1wk0 s LYS 107 N 1.24 4.18 0.00 2.79 1.02 -1.26 -2.65 119.74 125.05 1wk0 s LYS 107 Ca 0.02 0.71 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1wk0 s LYS 107 Cb -0.21 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1wk0 s LYS 107 CO -0.02 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1wk0 n GLY 108 N 3.89 2.36 3.82 -3.33 0.00 -1.22 -5.00 105.19 105.71 1wk0 n GLY 108 Ca 0.01 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 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 2.08 5.39 0.74 2.61 2.01 -1.26 -4.89 115.64 122.33 1wk0 s THR 109 Ca 0.00 0.34 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 1wk0 s THR 109 Cb 0.00 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.06 1wk0 s THR 109 CO 0.00 0.54 1.10 -2.16 -0.69 0.00 0.00 174.62 173.41 1wk0 s PRO 110 N -0.50 2.39 0.88 4.92 0.04 -1.26 -4.46 135.00 137.00 1wk0 s PRO 110 Ca 0.15 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1wk0 s PRO 110 Cb -0.13 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.67 1wk0 s PRO 110 CO 0.04 -1.55 1.22 -1.54 0.04 0.00 0.00 177.00 175.21 1wk0 s SER 111 N -3.18 3.62 1.06 6.66 1.04 -1.16 -4.98 113.70 116.75 1wk0 s SER 111 Ca 0.63 0.18 -0.22 0.00 0.48 0.00 0.00 55.95 57.02 1wk0 s SER 111 Cb -0.18 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 1wk0 s SER 111 CO 0.52 -2.40 -0.60 -0.62 0.98 0.00 0.00 173.24 171.13 1wk0 n GLU 112 N -3.47 -0.83 -3.77 4.02 4.71 -1.26 -4.60 120.64 115.45 1wk0 n GLU 112 Ca 0.14 -0.23 -0.36 0.00 -0.01 0.00 0.00 57.16 56.70 1wk0 n GLU 112 Cb 0.60 -1.41 -0.10 0.00 -1.01 0.00 0.00 31.44 29.52 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 -2.14 3.54 -0.41 0.62 0.00 -1.26 -4.54 121.76 117.56 1wk0 s ALA 113 Ca 0.48 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.47 1wk0 s ALA 113 Cb -0.04 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.94 1wk0 s ALA 113 CO 0.67 -0.06 0.28 -2.00 0.00 0.00 0.00 175.76 174.65 1wk0 s GLU 114 N 0.81 2.85 0.28 0.00 2.56 0.01 -4.79 118.70 120.41 1wk0 s GLU 114 Ca 0.06 -1.21 -0.29 0.00 0.00 0.00 0.00 54.97 53.54 1wk0 s GLU 114 Cb -0.13 -3.89 -0.09 0.00 2.00 0.00 0.00 34.13 32.02 1wk0 s GLU 114 CO 0.02 -0.84 0.97 -1.50 -0.56 0.00 0.00 175.26 173.36 1wk0 s ILE 115 N 1.58 4.00 -0.24 -3.70 1.10 -1.26 -2.12 121.20 120.56 1wk0 s ILE 115 Ca 0.03 1.89 -0.11 0.00 -0.51 0.00 0.00 60.65 61.95 1wk0 s ILE 115 Cb -0.21 -4.16 0.08 0.00 0.15 0.00 0.00 42.46 38.33 1wk0 s ILE 115 CO 0.07 0.36 0.55 0.72 -2.11 0.00 0.00 174.94 174.53 1wk0 s PHE 116 N -1.31 -0.93 -0.08 3.50 -0.12 -1.04 -4.96 117.98 113.04 1wk0 s PHE 116 Ca 0.45 1.81 -0.24 0.00 -0.05 0.00 0.00 56.93 58.90 1wk0 s PHE 116 Cb -0.25 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1wk0 s PHE 116 CO 0.31 -0.49 0.75 0.99 -0.05 0.00 0.00 175.22 176.73 1wk0 s THR 117 N 1.98 5.00 -0.06 -4.49 2.01 -1.26 -3.96 115.64 114.86 1wk0 s THR 117 Ca -0.08 1.53 -0.10 0.00 0.31 0.00 0.00 61.69 63.35 1wk0 s THR 117 Cb -0.09 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1wk0 s THR 117 CO -0.16 0.20 0.27 0.42 -0.69 0.00 0.00 174.62 174.66 1wk0 s THR 118 N 1.07 5.28 0.83 -0.82 -4.23 -0.78 -4.95 115.64 112.04 1wk0 s THR 118 Ca 0.39 0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 61.29 1wk0 s THR 118 Cb -0.18 -3.55 0.09 0.00 1.34 0.00 0.00 72.50 70.20 1wk0 s THR 118 CO 0.18 0.59 1.11 -1.48 -0.54 0.00 0.00 174.62 174.48 1wk0 s LEU 119 N -1.09 2.96 0.41 4.79 2.34 -1.24 -0.50 118.68 126.34 1wk0 s LEU 119 Ca 0.20 1.97 -0.10 0.00 0.06 0.00 0.00 54.13 56.26 1wk0 s LEU 119 Cb -0.14 -4.54 -0.06 0.00 -0.56 0.00 0.00 46.19 40.89 1wk0 s LEU 119 CO 0.09 -2.47 0.77 -0.55 -1.06 0.00 0.00 176.35 173.12 1wk0 s SER 120 N -3.10 6.51 0.40 1.48 0.15 -1.26 -2.30 113.70 115.58 1wk0 s SER 120 Ca 0.63 1.12 0.34 0.00 0.70 0.00 0.00 55.95 58.75 1wk0 s SER 120 Cb -0.19 -2.32 1.28 0.00 -1.71 0.00 0.00 66.02 63.08 1wk0 s SER 120 CO 0.57 -0.40 1.21 0.00 1.20 0.00 0.00 173.24 175.81 1wk0 s GLU 122 N -4.58 2.95 -0.90 0.00 -1.05 -1.26 -5.03 118.70 108.83 1wk0 s GLU 122 Ca -0.04 -0.73 -0.25 0.00 -0.15 0.00 0.00 54.97 53.80 1wk0 s GLU 122 Cb 0.22 -2.73 -0.05 0.00 -0.44 0.00 0.00 34.13 31.13 1wk0 s GLU 122 CO 0.67 0.54 1.94 -1.25 0.95 0.00 0.00 175.26 178.11 1wk0 s PRO 123 N -2.69 2.56 -0.00 -4.83 0.04 -1.26 -4.67 135.00 124.15 1wk0 s PRO 123 Ca 0.30 -0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.04 1wk0 s PRO 123 Cb -0.11 -5.06 -0.01 0.00 0.04 0.00 0.00 34.50 29.36 1wk0 s PRO 123 CO 0.23 -3.37 -0.03 -3.47 0.04 0.00 0.00 177.00 170.40 1wk0 n ASP 124 N 13.94 0.34 -4.74 6.66 -0.08 -1.26 -5.04 116.55 126.37 1wk0 n ASP 124 Ca 0.40 0.05 -0.38 0.00 -1.51 0.00 0.00 54.79 53.35 1wk0 n ASP 124 Cb 0.47 -0.28 0.06 0.00 2.34 0.00 0.00 41.12 43.71 1wk0 n ASP 124 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1wk0 n ILE 125 N -2.82 4.60 -2.22 5.18 -6.64 -1.26 -4.94 119.36 111.25 1wk0 n ILE 125 Ca -0.01 -0.50 -0.41 0.00 -1.77 0.00 0.00 62.75 60.05 1wk0 n ILE 125 Cb 0.05 -1.56 -0.03 0.00 -1.44 0.00 0.00 39.64 36.66 1wk0 n ILE 125 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1wk0 s PRO 126 N -3.21 4.38 0.15 6.28 0.04 -1.26 -5.04 135.00 136.34 1wk0 s PRO 126 Ca 0.79 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.92 1wk0 s PRO 126 Cb -0.39 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 1wk0 s PRO 126 CO 0.43 -0.28 -0.11 -0.80 0.04 0.00 0.00 177.00 176.28 1wk0 s ASN 127 N 0.49 1.88 0.89 6.66 0.01 -1.26 -5.15 114.94 118.45 1wk0 s ASN 127 Ca 0.58 -0.97 -0.11 0.00 -0.71 0.00 0.00 52.86 51.64 1wk0 s ASN 127 Cb -0.36 -0.03 0.12 0.00 0.41 0.00 0.00 41.25 41.39 1wk0 s ASN 127 CO 0.36 -0.28 1.09 -2.16 -1.51 0.00 0.00 177.10 174.60 1wk0 s PRO 128 N -3.53 1.32 -0.03 -0.60 0.04 -1.26 -4.97 135.00 125.98 1wk0 s PRO 128 Ca 0.16 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1wk0 s PRO 128 Cb 0.01 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1wk0 s PRO 128 CO 0.01 -2.20 1.47 -1.25 0.04 0.00 0.00 177.00 175.07 1wk0 s PRO 129 N -4.93 4.24 -0.06 0.56 0.04 -1.26 -4.88 135.00 128.70 1wk0 s PRO 129 Ca 0.63 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.71 1wk0 s PRO 129 Cb -0.18 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 1wk0 s PRO 129 CO 0.57 -0.67 -0.04 0.54 0.04 0.00 0.00 177.00 177.44 1wk0 n ARG 130 N 5.95 0.89 -1.43 4.56 1.74 -1.26 -4.98 116.66 122.12 1wk0 n ARG 130 Ca 0.14 0.03 -0.48 0.00 -0.77 0.00 0.00 57.85 56.77 1wk0 n ARG 130 Cb 0.43 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.64 1wk0 n ARG 130 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1wk0 n ILE 131 N -2.58 0.06 -2.88 0.55 -0.00 -1.26 -4.90 119.36 108.35 1wk0 n ILE 131 Ca -0.11 -0.22 -0.30 0.00 -0.00 0.00 0.00 62.75 62.12 1wk0 n ILE 131 Cb 0.64 -1.30 -0.03 0.00 -0.00 0.00 0.00 39.64 38.95 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 8.17 6.52 0.00 4.38 0.01 -1.26 -5.06 113.70 126.45 1wk0 s SER 132 Ca 1.17 1.11 0.00 0.00 1.31 0.00 0.00 55.95 59.54 1wk0 s SER 132 Cb -0.99 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 62.93 1wk0 s SER 132 CO 0.49 -0.39 0.01 0.61 0.41 0.00 0.00 173.24 174.38 1wk0 n GLY 133 N -1.27 1.56 3.77 3.44 0.00 -1.26 -4.92 105.19 106.51 1wk0 n GLY 133 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.03 3.72 -0.29 1.61 0.04 -1.26 -5.05 135.00 133.75 1wk0 s PRO 134 Ca 0.00 1.76 -0.18 0.00 0.04 0.00 0.00 61.00 62.62 1wk0 s PRO 134 Cb 0.00 -2.37 0.16 0.00 0.04 0.00 0.00 34.50 32.33 1wk0 s PRO 134 CO 0.00 -0.58 1.08 0.45 0.04 0.00 0.00 177.00 177.99 1wk0 s SER 135 N -1.39 -0.37 0.11 6.66 0.15 -1.26 -5.18 113.70 112.41 1wk0 s SER 135 Ca 0.64 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.76 1wk0 s SER 135 Cb -0.28 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.09 1wk0 s SER 135 CO 0.34 -0.10 0.38 -0.94 1.20 0.00 0.00 173.24 174.12 1wk0 s SER 136 N 1.00 -0.21 0.00 5.45 1.04 -1.26 -5.27 113.70 114.45 1wk0 s SER 136 Ca -0.06 -0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.12 1wk0 s SER 136 Cb -0.04 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.58 1wk0 s SER 136 CO -0.13 -0.82 0.65 0.61 0.98 0.00 0.00 173.24 174.54